#DEFINITION	Reference Metabolome for Crataegus pinnatifida
#IDENTTFIER	RefMeta-Crataegus pinnatifida.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Crataegus pinnatifida
#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 Crataegus pinnatifida was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01060	3.4
71.01396	22.9
77.20418	3.1
87.00874	4.1
89.02458	18.2
92.10098	10.1
101.02447	17.4
113.02472	12.2
116.82597	3.4
125.02484	7.3
130.01666	3.1
161.04575	4.1
235.08286	4.5
277.21735	75.1
279.23325	100.0
313.88919	3.4
366.82620	3.7
375.42551	4.4
379.12561	6.5
397.13562	39.0
960.63757	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	998.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01418	26.7
75.23868	14.3
91.25998	17.4
92.79710	17.4
117.96543	15.6
175.61049	17.3
199.07431	17.1
277.21765	100.0
278.21899	48.1
279.22156	26.8
398.13907	19.1
641.93201	18.6
867.60223	18.9
938.45618	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	997.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81779	0.3
70.83093	0.3
71.01378	18.6
72.99319	1.3
73.02934	5.2
75.00858	0.4
78.73115	0.3
80.34321	0.3
82.05821	0.3
83.01399	2.6
83.43661	0.3
85.02946	4.8
86.00094	0.5
87.00861	2.7
89.02438	25.9
95.01385	1.3
96.95981	0.3
99.00879	7.8
101.02435	13.8
109.02936	0.4
111.00886	0.5
113.02455	6.2
115.03981	0.3
119.03507	3.5
121.03010	0.3
123.00869	3.6
124.01656	1.6
125.02425	1.4
131.03497	2.7
134.03726	0.6
135.04536	0.4
137.02440	0.6
138.03229	10.8
139.03990	1.5
143.03487	0.4
149.04572	7.5
149.05701	0.6
151.00302	0.3
151.04021	0.5
153.05585	8.4
155.10735	0.4
155.34816	0.3
159.04520	0.4
160.01634	0.5
161.02463	0.5
161.04631	1.3
166.02696	2.1
167.03343	0.4
174.03217	0.4
175.03995	1.9
179.05672	0.5
181.05078	3.6
187.04010	3.1
188.04793	1.3
189.05545	0.6
191.05608	4.5
191.16170	0.4
193.05067	1.3
195.06735	0.5
202.06416	3.2
203.07205	2.4
205.05157	0.4
207.06639	0.4
219.06575	0.4
221.06386	0.5
221.08232	1.4
233.08423	2.4
250.08411	0.4
294.05548	0.4
308.07010	0.7
309.07877	0.7
313.07291	1.6
323.09363	0.8
325.07391	0.6
326.07959	0.6
327.08722	1.8
329.10440	0.7
339.08780	0.8
340.09570	1.3
341.10489	2.5
343.08295	1.2
343.11963	0.8
344.09067	1.9
355.11984	3.3
356.09000	1.3
357.09708	0.6
357.13666	0.6
358.10623	5.2
359.11478	8.2
371.11444	7.1
372.12173	0.5
373.12991	11.6
384.12094	0.5
386.13766	3.3
387.14401	2.9
389.12405	4.0
399.14532	3.2
401.15817	2.4
404.14871	10.3
405.15576	2.5
412.99957	0.4
415.16144	11.0
419.17178	11.7
453.98184	0.4
523.25720	0.4
535.18433	0.4
581.22510	100.0
582.23102	2.5
911.20416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	8.3
72.99300	0.2
73.02950	2.2
74.99075	0.3
79.06872	0.2
79.95741	0.2
80.10616	0.2
83.01392	0.8
85.02953	4.0
87.00880	11.3
89.02447	4.9
91.55365	0.2
93.03452	0.4
95.01395	1.1
96.96009	1.1
97.02953	0.2
99.00894	1.1
101.02450	6.8
102.98607	100.0
109.02938	0.2
113.02467	6.0
114.39238	0.3
119.03498	1.6
119.05013	0.3
120.99674	0.4
125.02436	0.3
131.03505	0.2
135.04520	0.8
137.09723	1.4
139.36882	0.2
143.03458	0.4
145.02980	0.7
149.04620	0.3
159.02962	0.7
161.02473	0.3
161.04555	6.9
163.04024	0.2
173.04590	0.3
179.03523	0.3
179.05585	0.4
191.05562	1.4
193.89418	0.2
205.07202	0.8
207.84970	0.2
249.06192	5.6
257.73251	0.2
271.10559	0.2
283.04968	92.7
284.05264	1.1
300.47144	0.2
309.07764	0.2
373.96265	0.2
379.16309	0.4
469.11816	0.4
721.27783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	0.6
71.01385	12.5
72.99316	1.2
73.02955	1.9
79.96468	0.3
81.03461	0.6
83.01402	1.5
85.02975	3.0
87.00881	3.5
89.02444	11.7
95.01383	1.2
97.02941	3.3
99.00909	0.6
101.02451	10.2
109.04047	0.3
111.00809	0.4
113.02458	6.4
115.04042	0.4
119.03528	3.4
123.47742	0.3
125.02460	5.7
126.00644	0.3
131.03499	0.3
133.05038	0.4
143.03535	1.7
161.04587	2.3
167.03482	0.3
179.05544	2.1
185.04572	0.4
217.07222	1.0
221.06769	1.7
233.22551	0.3
235.08353	3.9
277.21777	100.0
278.22183	1.6
287.04419	0.3
287.07785	1.2
305.08759	0.6
323.09665	0.4
379.12491	8.4
397.13574	24.7
415.14603	5.0
657.34991	1.7
675.36383	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	985.6425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	4.4
71.04997	0.6
76.98795	0.2
80.02692	1.3
81.03442	0.2
103.65434	0.1
106.04259	0.1
107.04975	0.1
131.08640	0.4
135.08112	0.2
137.09717	1.6
149.09715	1.2
173.09692	0.1
194.21754	0.1
250.71021	0.1
275.23755	0.2
359.29733	0.7
361.25446	0.6
365.28418	0.6
373.25409	0.5
375.26990	2.4
377.28619	3.3
389.28522	0.4
390.71082	0.1
391.30139	14.3
392.30603	0.2
393.31760	1.8
395.29568	0.4
399.29099	0.7
405.31918	1.5
407.33255	100.0
408.33643	1.9
409.34802	10.6
410.35269	0.1
411.32806	1.8
421.31219	0.7
423.32709	3.4
425.34744	0.8
427.35934	13.0
428.35873	0.2
435.29129	0.2
437.30859	1.5
439.32010	0.5
441.33801	6.6
451.32513	0.8
453.33838	11.7
454.34296	0.2
455.31696	0.2
459.34695	0.9
467.31784	0.2
471.34897	44.1
472.34967	0.8
485.32797	2.3
503.33984	0.1
564.04761	0.1
604.12177	0.1
700.82159	0.1
787.13977	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6632
Annotation	Unknow
Peak:m/z	Relative Intensity
74.55521	0.3
88.75677	0.3
97.06680	0.4
101.79115	0.3
102.06440	0.4
147.17697	0.3
151.51883	0.3
155.19595	0.3
157.10558	0.4
158.22029	0.3
184.69135	0.3
273.18527	0.4
277.21890	0.5
391.30225	4.2
393.27917	0.6
397.31384	1.3
405.28073	0.5
407.33456	15.3
409.31039	4.1
423.33167	1.3
425.30807	1.7
427.35974	1.6
453.34338	0.4
469.33374	7.4
470.33783	9.9
471.35004	100.0
472.35513	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6645
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45284	0.1
87.17566	0.1
112.58724	0.1
114.46053	0.1
137.09764	0.1
153.05721	0.1
168.54086	0.1
184.81941	0.1
263.20209	0.8
273.18695	0.4
275.20364	0.2
277.21732	0.9
301.18179	0.2
301.78842	0.1
303.19849	0.4
381.28375	0.1
393.28232	0.2
397.27573	0.2
407.29514	0.4
407.33722	0.5
409.31149	2.0
411.29535	0.1
423.32990	0.2
425.30276	0.2
425.35208	0.1
427.31793	1.2
435.29312	0.1
441.26697	0.5
451.32281	0.1
453.30435	0.6
469.33289	4.7
469.39584	0.2
470.33710	2.3
471.35086	100.0
472.35599	2.8
626.36084	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	979.6808
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24058	2.8
69.19901	2.9
72.40647	3.2
148.01126	3.3
166.54231	3.5
363.89130	3.4
507.32504	100.0
544.70392	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	981.431
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16316	0.9
71.01385	8.9
73.02965	1.4
78.60295	0.9
85.02967	4.6
87.00895	1.3
89.02443	4.5
93.03469	1.5
96.96006	1.1
99.00893	1.3
101.02463	7.3
105.86948	0.9
113.02463	3.8
125.02453	2.2
135.04517	3.7
141.01714	100.0
173.04626	1.3
191.05632	1.6
203.77177	1.0
332.70654	1.0
344.49393	0.9
352.07733	1.0
392.49222	1.0
449.14706	1.5
472.23715	0.9
839.41638	11.7
861.38458	11.5
902.45813	1.0
921.39563	1.9
945.48877	4.7
981.48132	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	983.6476
Annotation	Unknow
Peak:m/z	Relative Intensity
155.64616	0.1
197.17455	0.1
224.29176	0.1
277.21710	0.5
288.96216	0.1
405.31631	0.6
425.30298	0.1
454.00189	0.1
469.33304	100.0
470.33658	2.7
702.82538	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	983.648
Annotation	Unknow
Peak:m/z	Relative Intensity
80.81659	0.3
100.91384	0.3
108.59490	0.3
121.60966	0.3
275.48788	0.3
277.21725	1.4
288.05890	0.3
290.42099	0.3
404.99847	0.3
425.34113	1.3
451.32593	0.4
469.33316	100.0
470.33749	2.9
532.07288	0.3
539.42877	0.4
642.63611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	36.2
72.99323	1.2
73.02946	9.3
83.01405	3.3
85.02961	14.1
87.00903	4.9
89.02441	35.6
89.14986	0.6
93.03473	0.9
95.01403	2.3
97.02971	2.3
99.00866	4.2
101.02444	33.2
101.03088	1.3
111.00922	0.6
113.02454	18.8
119.03494	16.9
123.08160	4.0
125.02436	5.4
131.03534	4.7
135.04576	1.1
143.03517	3.1
145.02991	0.6
149.04626	0.9
158.20985	0.6
159.02972	0.8
161.04565	11.2
172.54857	0.6
173.04590	0.8
179.03447	0.8
179.05644	6.6
191.03896	0.5
191.05684	2.9
221.06636	6.2
221.08484	0.6
361.86621	0.6
379.17081	0.7
593.36963	1.0
655.38055	0.9
755.42383	12.3
795.58307	0.7
917.47668	100.0
918.48138	3.9
939.15125	0.8
950.13385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6935
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05018	1.1
72.99320	5.2
82.29926	0.4
92.10042	1.0
95.87223	0.5
137.60423	0.5
160.17816	0.5
357.28052	0.6
385.31635	0.6
387.29074	2.4
389.28525	2.0
397.30859	2.0
405.31665	7.1
407.33459	2.7
409.31616	0.9
411.32944	0.9
413.34409	4.3
423.32782	2.3
425.34418	7.4
427.32294	5.8
439.32205	2.4
441.33850	4.6
443.35794	3.6
451.31433	0.7
468.32065	0.6
469.33289	0.8
485.32849	0.8
486.33243	0.8
487.34351	100.0
488.34497	1.0
779.44110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.9
73.02940	1.2
75.22489	0.6
79.92464	0.7
79.95731	1.1
83.01386	2.9
85.02979	1.5
87.00887	1.1
87.59319	0.6
89.02470	2.8
93.03457	3.7
95.01410	0.6
96.96008	5.5
99.00912	0.8
101.02410	2.8
107.01416	5.6
108.02147	0.8
109.02962	3.0
112.68027	0.7
113.02470	1.5
119.04975	0.6
121.02927	1.7
122.06119	1.6
133.02960	1.1
135.04518	3.4
137.02435	2.5
145.02931	1.6
147.00961	0.8
148.01689	0.8
149.02415	1.2
151.00383	25.5
153.01878	0.8
155.05066	1.1
161.02411	3.2
163.00352	1.2
163.03978	0.9
164.01125	1.0
165.05598	1.0
169.01443	2.6
171.04485	1.0
173.04515	1.7
175.00330	2.9
175.03960	3.7
176.01064	1.2
177.01945	0.8
178.99887	6.6
179.03571	1.6
180.04131	1.1
190.02647	2.3
191.03667	2.7
191.05617	9.9
198.03322	0.7
199.04054	7.2
201.01895	1.1
203.03441	0.7
205.05042	1.4
211.04034	0.9
215.03511	1.6
227.03413	5.5
227.08220	3.8
241.09819	1.4
242.10846	0.9
243.03001	9.5
243.11284	0.8
255.03093	11.5
255.11418	1.4
257.04379	0.8
271.02524	89.0
272.03140	0.8
283.02496	1.4
285.03864	0.8
295.10971	1.0
299.02017	100.0
300.02789	68.4
301.03571	57.3
302.04010	0.9
313.03500	1.4
315.05151	9.4
353.08771	1.0
469.11789	0.8
513.27240	3.5
555.18298	0.8
609.14758	14.9
623.15546	1.0
668.14001	4.3
669.14587	14.3
701.25116	0.8
887.82642	0.8
977.25403	37.5
977.43506	2.0
978.26288	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	975.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99841	0.5
69.03454	2.3
71.01385	50.9
72.99319	2.2
73.02949	13.3
75.00870	2.3
77.80610	0.4
81.03468	2.5
83.01392	8.1
83.05061	2.1
84.02194	0.5
85.02958	30.4
86.00158	0.3
87.00879	3.6
89.02448	18.7
95.01396	5.0
97.02950	5.2
99.00887	7.5
99.04552	0.3
101.02448	44.0
103.77605	0.4
109.02956	1.1
111.00896	2.1
111.04533	2.7
113.02459	25.5
115.04025	0.4
119.03513	6.8
121.02962	1.6
123.04562	0.4
125.02450	8.8
127.03975	0.4
129.01967	0.5
131.03493	1.4
135.04550	1.5
137.02464	0.5
139.04034	1.3
143.03517	4.4
145.05095	0.4
153.05640	0.4
155.03548	0.4
159.02997	3.1
161.02512	0.5
161.04607	17.8
161.06076	2.6
161.39493	0.3
165.05569	0.5
173.04568	0.6
175.07637	2.2
179.03539	0.4
179.05617	2.1
191.05650	0.7
203.05682	0.5
221.06647	2.0
245.06720	1.7
247.08301	0.5
251.68816	0.3
263.07678	1.4
323.09796	1.8
333.18921	0.6
351.19681	2.6
467.28174	0.4
469.30072	0.4
495.27548	2.8
513.28632	9.5
657.33105	2.0
675.33990	13.5
677.84283	0.4
793.37927	0.4
819.38245	15.7
837.39270	100.0
838.39136	2.5
855.39752	1.6
871.41583	0.7
873.41016	0.7
879.40576	3.6
897.40796	0.5
915.42352	9.1
969.91840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6781
Annotation	Unknow
Peak:m/z	Relative Intensity
84.10191	0.7
90.67217	1.0
99.12882	0.9
100.33224	1.0
132.04488	0.8
193.82921	0.9
292.46005	0.8
335.52972	0.8
441.33826	36.1
442.34195	4.5
485.32809	100.0
486.33191	9.1
487.34381	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	19.7
72.99325	2.1
73.02614	0.4
73.02949	5.1
80.61634	0.4
83.01412	2.9
85.02958	6.4
87.00903	2.1
88.66965	0.5
89.02441	18.9
93.03466	0.9
95.01405	2.1
96.96038	2.5
99.00885	4.9
101.02439	16.7
111.00892	0.5
113.02471	8.3
118.60609	0.5
119.03496	5.1
119.05085	0.7
123.00916	3.2
123.08232	0.5
124.01686	0.9
125.02497	0.9
134.03746	0.9
135.04523	0.5
137.02512	0.6
138.03238	12.8
139.04060	2.5
143.03534	0.8
145.03014	0.5
149.04579	2.4
150.03253	0.9
153.05589	8.4
155.10796	0.8
160.01726	0.8
161.04602	1.3
165.05583	0.8
166.02731	1.2
167.03479	0.8
175.04077	0.7
177.05418	0.7
179.03520	0.6
181.05110	2.3
187.03963	2.8
189.05701	0.7
191.05609	6.3
202.06409	3.2
203.07167	1.3
217.05019	0.7
221.08305	1.2
233.08188	2.3
261.13361	1.1
271.43610	0.6
293.04553	0.6
295.06339	0.6
313.07401	1.3
323.09448	0.7
325.07382	0.8
326.08078	0.8
327.08871	2.8
328.09698	0.7
338.11597	1.8
340.09488	1.1
341.06650	1.1
341.10361	1.2
343.08209	1.1
343.11948	0.8
344.09128	2.5
355.11966	4.2
356.09003	1.0
358.10666	6.8
359.11380	8.5
370.60416	0.6
371.11371	6.7
372.12466	0.6
373.12897	10.7
386.13815	3.0
387.14548	1.1
389.12473	3.9
393.17764	14.8
399.14508	3.6
401.15955	0.9
404.14792	11.5
405.15646	3.0
417.15533	0.7
419.17288	12.9
523.25690	0.9
535.18243	0.7
566.20593	1.0
581.22528	100.0
582.22931	0.9
951.54517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.2
71.01386	26.1
72.99314	1.4
73.02940	2.7
78.68073	1.1
81.03475	1.3
82.42961	1.3
83.01431	1.3
85.02962	4.8
87.00896	7.4
89.02441	23.3
97.02953	2.9
101.02447	19.6
113.02455	11.0
115.04015	1.7
119.03531	2.9
122.02135	1.1
125.02481	7.6
135.80663	1.2
161.04572	5.9
175.58357	1.1
179.05602	4.8
205.63724	1.1
217.07245	1.3
235.08237	8.1
255.23323	100.0
259.08246	1.4
277.21762	83.3
287.07837	1.9
305.08774	2.6
379.12552	22.2
397.08139	1.7
397.13544	52.5
415.14645	11.3
440.61664	1.4
635.36646	2.8
653.37488	7.2
696.35449	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	971.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64492	17.4
70.94855	18.6
88.22887	19.8
89.02470	20.9
111.79085	23.5
154.99904	21.7
165.80194	20.8
181.43422	22.1
251.45839	20.3
277.21826	100.0
345.29071	21.0
397.13367	25.1
544.13037	23.4
885.36823	24.7
971.55371	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	11.6
71.83884	5.3
83.39365	6.4
87.00861	6.9
89.02448	15.2
92.10104	12.2
99.53064	5.9
101.02454	9.4
113.02468	8.1
195.13939	9.8
227.16466	6.6
235.08279	8.6
279.23282	81.4
293.21292	100.0
397.13583	88.7
415.14661	16.0
511.51117	7.3
572.76221	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	973.6115
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44468	0.7
69.03464	1.2
71.01383	24.0
72.99326	1.1
73.02953	5.3
75.93962	0.6
81.03476	1.0
83.01390	3.1
85.02954	7.2
85.03390	0.7
87.00876	5.8
89.02442	25.0
95.01389	1.9
97.02959	5.3
99.00919	0.8
101.02452	21.3
113.02445	11.4
113.03027	0.7
119.03497	5.8
125.02449	10.2
131.03523	1.2
143.03497	3.4
161.04552	5.6
179.05600	4.1
186.49654	0.7
214.64412	0.8
217.07202	0.8
221.06699	3.2
235.08257	8.4
253.09424	0.9
255.23335	100.0
269.24951	1.1
277.21765	88.4
278.22018	1.2
287.07666	3.3
305.08844	1.9
323.10010	0.9
379.12558	20.4
397.13547	53.1
415.14725	8.9
635.37006	4.0
653.37811	5.8
675.35284	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	967.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	0.5
71.01369	2.5
73.02962	0.4
79.95731	5.6
80.96507	2.4
83.01395	0.7
83.05029	0.6
85.02961	6.1
87.00887	0.5
87.49151	0.3
88.48720	0.3
89.02458	0.6
92.10018	0.6
95.05064	0.5
96.96011	40.3
97.06591	3.7
98.95633	0.4
101.02444	2.3
110.03729	0.4
112.64086	0.3
113.02460	1.2
115.97699	0.3
123.08139	0.3
125.09730	1.3
127.11292	1.5
128.12015	0.3
130.78940	0.3
137.09734	1.7
138.97089	2.4
146.99234	0.3
155.10719	0.4
163.11331	0.3
165.12817	0.6
167.10843	0.4
167.14410	0.5
171.10278	15.7
177.12863	0.7
181.12401	0.3
183.13899	4.6
185.11777	0.7
191.05627	0.6
193.12346	1.5
193.15979	0.3
196.51785	0.3
197.11949	1.1
201.11304	0.3
202.64214	0.4
203.10695	0.4
209.11856	1.5
211.13437	24.3
221.11861	3.7
229.14476	15.0
239.12920	2.1
241.00281	6.2
291.19852	4.0
309.20636	0.4
327.21826	100.0
328.22223	1.5
449.12396	0.3
475.98734	0.4
496.26755	0.4
510.05649	0.4
608.12775	0.3
625.34320	2.1
967.45776	26.2
968.45892	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	965.6865
Annotation	Unknow
Peak:m/z	Relative Intensity
441.33835	100.0
470.33734	1.3
471.34888	14.3
561.51660	1.2
605.95697	1.2
630.56250	1.5
964.67163	1.6
965.68549	88.3
966.69684	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	967.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16406	0.6
69.03455	1.1
71.01382	8.9
73.02976	0.7
79.95740	12.6
80.96526	5.1
81.97592	0.5
83.01398	1.3
85.02953	19.8
87.00875	1.3
89.02442	4.2
96.96009	94.1
97.02966	1.2
97.06596	1.0
98.95623	0.9
99.00903	0.7
101.02444	7.7
113.02478	5.4
119.03504	0.6
125.09708	0.6
127.11309	1.3
131.03488	0.7
137.09735	4.9
138.97070	5.8
155.10893	1.0
166.96600	0.7
171.10292	43.0
183.13895	3.3
191.05620	1.2
201.11412	1.1
211.13406	11.2
221.11835	0.7
229.14445	6.8
239.12825	1.1
241.00279	11.2
256.99692	0.8
274.58768	0.7
291.19583	2.8
309.20773	0.9
325.20233	1.0
327.21835	100.0
342.64642	0.6
582.01776	0.7
625.34290	3.4
639.34027	6.5
724.64612	0.8
967.45770	60.0
968.46301	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	963.6873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03348	0.2
71.01225	7.6
71.01667	2.4
72.99192	0.3
73.02782	2.4
73.03236	0.8
80.04940	0.2
80.12660	0.3
80.15121	0.2
81.03288	5.5
81.03824	1.5
83.01218	1.2
83.04852	17.2
83.05411	4.3
85.02777	3.5
85.03331	0.9
85.99971	0.3
87.00706	1.0
87.01189	0.4
89.02255	5.9
89.02876	1.3
95.01225	0.7
95.01750	0.2
96.95847	0.4
97.02765	0.5
97.03311	0.2
99.00678	2.5
100.07493	0.3
101.02230	8.3
101.02975	1.7
108.04373	0.5
108.05025	0.2
111.00697	0.9
111.01418	0.2
113.02221	4.0
115.03826	0.5
117.91140	0.2
119.03259	1.4
123.00725	0.3
125.02190	1.0
125.06931	1.3
126.05447	0.6
131.03259	1.1
131.04147	0.3
135.04355	0.3
135.45473	0.2
138.02986	0.3
143.03239	0.9
143.08011	0.5
149.04294	0.3
154.48499	0.2
157.13297	0.2
159.02803	0.4
161.04265	1.6
173.04297	0.2
179.05429	0.2
180.03227	0.2
191.05275	2.2
207.14670	1.7
208.13187	0.3
219.91956	0.2
222.15921	0.3
224.17717	3.8
225.16103	16.9
225.18147	0.9
233.06477	0.4
242.18423	1.0
268.16232	0.2
290.21680	0.3
291.20514	0.3
305.46780	0.3
309.21484	1.2
324.26419	0.3
333.22638	1.5
341.29346	2.1
345.29755	1.2
367.26804	1.1
371.47559	0.3
385.28015	0.3
407.33527	0.3
408.01691	0.2
433.31766	2.2
434.14301	0.3
450.34723	1.9
451.32950	14.0
452.33115	0.3
453.23358	0.4
454.23199	0.3
492.12085	0.2
507.35602	1.5
535.38324	0.5
550.43134	1.4
567.45782	1.1
633.50214	0.3
659.47974	0.3
669.40485	0.3
676.51123	0.5
677.49933	3.5
776.60181	1.0
791.61426	0.3
801.44806	0.5
825.37891	0.3
885.65131	1.3
903.66656	100.0
904.67065	2.4
963.50269	20.7
964.50494	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	963.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	2.1
71.01382	44.3
72.99325	2.0
73.02947	13.3
75.00883	1.8
76.47192	0.4
78.85225	0.3
81.03446	0.9
83.01389	5.6
85.02953	18.8
86.00097	0.8
87.00885	6.3
87.04514	0.3
89.02443	35.7
93.03481	0.5
95.01381	3.6
97.02968	4.5
99.00880	12.8
99.04512	0.4
101.02445	39.5
109.02941	0.5
110.29145	0.4
111.00893	2.0
113.02462	19.0
115.04023	2.4
119.03499	8.9
125.02434	5.9
129.01947	0.8
131.03491	5.1
135.04475	0.4
137.02458	0.5
141.01993	0.5
143.03505	3.6
149.04576	1.8
159.03009	2.8
161.04565	8.7
173.04572	0.6
179.05649	2.1
191.05669	4.1
211.17055	0.8
221.06699	2.1
233.06651	1.9
245.06752	0.6
261.84253	0.4
278.35507	0.4
345.30215	8.7
387.31299	0.5
507.35440	6.7
574.61243	0.4
639.40112	1.8
669.40399	2.7
801.45038	2.8
831.45856	1.3
963.50336	100.0
964.49963	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	963.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01416	1.2
85.02970	1.4
90.01340	1.1
92.10052	2.8
93.03505	4.5
96.96008	27.5
107.01389	3.0
107.82483	1.3
109.02991	1.7
113.15954	1.4
121.03053	1.5
133.02876	2.3
135.04469	1.5
151.00385	15.4
161.02464	7.2
163.00351	1.6
173.00446	1.3
173.04567	3.1
178.99860	9.8
179.03551	1.7
191.05597	14.2
211.04070	1.5
227.03427	2.6
243.02962	7.9
255.03056	25.8
256.03339	1.8
271.02515	43.7
272.02905	6.3
273.03586	1.6
283.02386	1.4
300.02795	100.0
301.03491	78.2
302.03671	6.1
339.05185	6.3
425.84146	1.5
487.28427	1.5
513.10522	2.7
609.14764	50.7
610.14789	10.7
611.15399	3.1
655.12756	1.6
771.90894	1.6
883.67749	1.6
963.23242	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	963.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51556	1.1
71.01382	43.3
71.58073	1.2
72.99316	1.8
73.02956	14.4
83.01409	8.1
85.02943	16.3
85.43684	1.1
87.00896	2.9
89.02446	32.8
93.03483	1.5
95.01451	1.5
96.96028	5.1
97.02960	2.4
99.00880	13.0
99.09374	1.2
101.02440	40.7
111.00915	1.9
113.02468	16.9
119.03515	7.3
125.02446	6.4
131.03516	2.8
143.03497	2.4
149.04594	2.2
159.02980	1.7
160.72240	1.1
161.02444	1.7
161.04608	6.6
173.04623	1.7
179.05673	1.4
186.13513	1.1
191.05673	8.5
192.94594	1.3
194.79491	1.4
233.06706	2.2
345.30197	2.5
422.67120	1.5
437.42731	1.5
507.35364	8.7
645.46106	1.6
669.40479	1.9
963.50409	100.0
964.50262	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	962.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	1.7
68.99842	0.6
69.03468	2.7
71.01387	81.7
72.01347	0.7
72.01721	10.4
72.99307	2.8
73.01812	3.6
73.02948	25.9
74.03287	3.8
74.66514	0.4
75.00848	0.5
75.03382	0.9
81.03458	3.0
83.01390	12.5
83.04568	0.4
83.05036	4.6
84.01735	1.6
84.02170	0.5
84.05347	0.8
85.02959	39.9
86.03292	7.0
87.00882	6.3
87.03396	2.0
88.01208	0.4
89.02448	28.4
90.02782	3.9
91.02863	1.8
93.03472	1.6
94.55045	0.4
95.01401	8.5
96.01712	1.9
97.02950	7.6
98.03300	1.7
99.00884	9.7
100.01224	2.7
101.02450	67.3
102.02787	11.7
102.91854	0.4
103.02869	4.4
109.02960	0.7
111.00909	2.9
111.04517	3.0
113.02462	35.9
114.02795	7.6
115.02901	3.3
115.04010	0.7
117.37405	0.4
119.03500	9.0
119.82552	0.4
120.03844	1.0
121.02968	0.5
121.03937	0.6
123.00027	0.4
125.02452	7.9
126.02803	2.6
129.01944	1.9
131.03514	1.7
135.04597	0.4
137.02455	0.5
139.04018	0.9
141.01891	0.5
142.02328	0.4
143.03525	6.3
144.03883	0.9
145.04059	0.5
149.02477	0.5
149.04610	0.5
159.03017	4.0
160.03391	0.5
161.04581	22.2
162.04948	5.5
163.05063	2.4
179.05620	2.2
180.06015	0.4
191.05699	0.9
221.06667	1.9
222.04149	0.5
222.07028	0.8
244.17778	0.4
245.02336	0.4
245.06638	0.7
263.07773	1.9
264.08008	0.7
267.09790	0.5
305.08942	0.8
323.09787	2.4
324.10199	0.8
325.10577	1.8
353.21194	0.4
497.29404	4.2
498.29727	6.4
499.29907	7.0
500.30133	2.8
568.72400	0.5
637.68817	0.5
659.34412	2.4
660.34912	6.1
661.35101	7.8
662.35303	6.9
804.39398	0.7
805.39673	5.6
806.39606	7.5
821.39868	4.9
822.40198	22.7
823.40472	62.2
824.40741	100.0
842.42279	1.8
858.42120	0.8
865.41272	0.7
866.41864	2.8
901.42444	3.0
902.43768	5.2
962.43262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.8
71.01383	39.7
72.99316	2.0
73.02948	8.8
75.00870	0.4
81.03453	0.2
83.01395	4.8
84.02182	0.3
84.47104	0.2
85.02959	13.2
86.00092	0.4
87.00874	4.3
89.02445	34.3
95.01391	3.0
95.67548	0.2
97.02944	2.4
99.00882	3.5
101.02446	33.0
111.00920	0.4
111.04529	0.3
113.02462	19.9
114.85084	0.2
119.03506	13.3
121.02983	0.2
122.99842	0.2
125.02448	7.9
129.02007	0.7
131.03513	5.9
143.03523	2.9
149.02368	0.2
149.04550	0.9
158.95479	0.2
159.02963	1.8
161.04570	9.5
167.03522	0.3
178.16632	0.2
179.05632	6.3
179.27728	0.2
198.63454	0.2
221.06718	7.3
245.06749	0.2
263.07889	0.3
275.41019	0.2
305.08804	0.2
401.64969	0.2
721.42578	0.3
739.42914	13.6
740.43274	0.3
901.48169	100.0
902.48322	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	961.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	0.6
71.01382	37.7
72.99324	2.2
73.02943	11.1
73.03296	0.5
83.01389	5.6
85.02959	19.3
87.00880	2.8
89.02443	18.2
90.04885	0.4
95.01381	4.5
97.02945	3.4
98.13834	0.4
99.00889	4.3
101.02443	35.6
111.00909	0.9
113.02458	21.7
119.03500	5.6
125.02446	10.1
131.03523	2.2
143.03526	2.0
143.75127	0.4
159.03021	3.1
161.04568	9.8
179.05634	0.7
221.06709	2.1
257.41357	0.5
287.22412	0.9
303.71582	0.5
328.72302	0.4
476.30301	0.5
577.37543	0.7
739.42853	7.4
757.19611	0.6
863.28241	0.5
901.48254	100.0
902.48895	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	961.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60091	0.3
71.01411	0.6
75.00895	0.4
83.01387	4.0
85.02971	3.9
87.00883	0.5
93.03466	1.5
95.01395	2.1
95.90112	0.3
96.96042	0.5
107.01387	11.8
109.02968	6.1
113.02514	0.4
121.03023	0.6
123.00896	0.4
124.01648	2.0
125.02445	2.2
127.04012	0.6
145.03004	0.5
151.00374	48.9
152.01167	4.2
153.01938	0.6
167.04926	0.4
169.01424	9.2
178.99863	66.3
183.04532	0.7
191.05629	15.0
193.01312	0.5
195.04520	1.4
197.06126	1.4
200.01126	1.5
201.01924	2.3
207.04536	1.6
209.06107	0.7
211.04039	2.0
213.01947	0.4
217.01439	0.4
223.03995	2.7
223.05959	0.5
224.04781	5.6
225.05559	4.1
230.60811	0.4
235.04012	4.4
237.05583	4.0
238.02731	0.5
239.03513	5.1
241.01427	4.0
249.05476	0.4
251.03522	10.7
252.04303	17.7
253.01447	0.3
253.02136	0.4
253.05055	9.5
255.02968	0.4
263.03494	8.8
264.04300	3.1
265.01392	1.5
265.05099	2.4
267.02997	1.5
271.02557	0.4
277.05124	0.5
278.02124	0.6
279.03009	32.8
280.03778	24.1
280.06912	0.4
281.04562	50.1
282.01862	0.4
283.02502	3.7
291.03168	2.9
295.02475	2.2
300.03244	0.4
305.00897	0.6
306.01651	3.4
307.02521	33.5
308.03241	3.9
309.04105	14.8
310.01221	0.4
311.02060	2.3
323.02051	1.7
333.04202	0.6
334.01138	3.7
335.02020	7.4
343.06161	0.7
351.01529	12.8
357.04297	0.5
363.13080	0.5
369.04193	0.5
371.05621	2.4
375.05084	0.6
382.15570	0.4
387.05029	0.6
389.06870	0.4
399.05185	3.6
415.04654	2.2
416.05264	0.7
417.05927	1.6
426.03854	0.5
427.04410	0.8
443.04150	4.9
461.05219	40.0
462.05756	0.4
475.20245	0.4
488.01807	0.4
488.09058	0.4
769.16321	100.0
770.16553	3.1
801.78552	0.4
871.24939	0.4
990.62384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	1.2
75.12609	0.5
80.93103	0.5
85.02942	6.0
87.00900	0.9
89.02420	1.0
92.10742	0.9
93.03457	5.9
94.30166	0.5
101.02441	0.6
108.02172	0.9
109.02963	2.5
113.02464	0.7
121.02962	6.8
121.19965	0.5
127.03982	0.8
137.02461	1.2
139.04065	1.1
145.02960	3.0
148.01657	4.5
149.02454	2.4
152.16675	0.5
161.02480	1.2
163.04008	2.6
171.04510	1.2
173.04570	1.0
175.04005	1.3
191.05632	33.9
193.05119	0.9
195.04610	1.0
198.03302	0.8
199.04045	2.7
201.01851	0.9
209.02728	0.8
211.04070	5.4
213.05594	3.3
217.01324	0.6
222.03268	0.8
223.01819	0.9
223.04021	24.5
224.04701	3.0
225.05667	1.1
235.04054	5.0
237.01826	0.7
238.02699	1.3
239.03528	22.3
240.04309	4.0
241.05095	4.2
243.02972	1.2
250.02649	0.7
251.03531	7.4
252.04402	2.6
254.02324	0.7
255.02950	1.1
264.04367	1.0
266.02225	10.6
267.03012	50.0
268.03641	0.9
269.00955	2.7
269.04541	3.6
279.03012	13.2
280.03833	5.7
281.04517	0.8
283.02484	1.2
284.03278	0.8
285.04059	4.8
287.06839	0.7
295.02557	9.3
296.03534	0.6
297.03995	0.9
299.07056	1.0
301.05020	1.3
303.06787	1.4
307.02530	1.3
308.03317	0.8
311.02020	2.9
315.06705	3.6
318.05386	1.1
324.02921	1.2
327.06714	1.3
331.06201	3.5
332.07016	0.9
341.04593	1.2
342.05408	1.2
343.06073	6.7
344.06973	1.0
345.07642	1.0
346.04791	0.8
347.05652	1.4
353.04660	2.2
359.05722	11.4
360.06360	1.3
361.07220	0.8
369.04099	0.9
370.04904	3.5
371.05713	10.1
372.06354	0.9
387.05167	10.1
388.05911	7.6
389.06763	2.7
415.04715	1.1
416.05447	100.0
417.06223	39.0
417.11804	0.7
418.03650	1.2
419.04123	0.9
427.06693	0.7
434.06485	7.7
435.07419	4.5
443.04062	0.7
450.03516	0.7
460.04517	6.6
461.05185	3.0
477.16446	0.7
653.11322	2.2
725.17316	47.2
726.18158	1.0
743.19012	5.3
769.16394	22.9
961.22681	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.3
71.05029	1.1
76.98808	3.8
78.98719	0.2
80.02688	1.4
81.03431	0.3
83.05041	1.2
83.95489	0.2
95.05025	0.4
97.06589	0.4
101.08663	0.3
117.12438	0.2
118.21693	0.3
137.09689	1.3
149.09724	1.2
153.52475	0.3
184.11491	0.3
229.95354	0.3
365.28748	0.3
375.26840	0.4
377.28464	2.5
379.30228	0.4
389.28296	0.5
391.30130	3.6
399.32687	4.7
400.33353	0.3
403.30237	0.5
405.31735	2.6
407.33261	100.0
408.33661	2.8
409.35077	11.1
411.32858	3.4
413.30173	0.4
420.30548	0.3
421.31216	0.6
423.32800	9.7
425.34393	7.4
426.34656	0.3
427.35861	18.6
441.33643	1.7
443.35632	3.5
449.30750	2.5
451.32327	1.7
453.33835	20.9
454.34174	0.6
455.31784	1.2
459.35156	0.4
467.31836	7.2
469.33319	42.7
470.33588	2.2
471.34872	81.5
472.35266	3.3
485.32816	1.3
487.34412	36.2
488.34729	1.0
513.32208	5.5
947.33374	0.3
990.86304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.45
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	1.4
67.63880	0.3
68.99828	0.6
69.03455	2.9
71.01382	58.8
72.99296	2.6
73.02946	18.7
75.00898	0.6
81.03465	3.2
82.86589	0.3
83.01385	8.6
83.01882	0.4
83.05042	2.9
84.02167	0.6
85.02952	27.6
87.00873	5.9
87.04530	0.3
89.02443	22.2
93.03443	6.8
93.03921	0.4
95.01388	6.2
97.02950	5.0
99.00876	7.9
101.02444	49.4
109.03006	0.5
111.00862	2.4
111.04527	4.6
113.02454	30.0
115.04010	0.5
116.92851	2.7
117.92870	0.6
119.03504	8.6
121.02960	0.4
123.04469	0.4
125.02440	9.0
129.01941	0.7
131.03517	1.8
135.04526	0.4
137.02489	0.3
139.04033	0.5
141.01958	0.4
143.03502	5.4
155.03545	0.6
155.10849	0.4
159.03029	3.1
161.04567	16.7
173.04579	2.6
179.05589	2.9
191.05698	0.4
199.49724	0.4
221.06715	1.3
225.09502	0.4
225.37114	0.4
233.06674	0.4
245.06647	1.4
255.94533	0.4
263.07657	1.5
275.09317	0.4
292.78207	0.3
305.08844	0.8
323.09827	3.0
337.17941	0.3
353.21124	2.4
395.14227	0.3
449.14594	4.8
465.26379	1.7
489.28455	0.4
497.29007	5.9
659.34540	9.4
672.44879	0.4
803.38824	13.0
821.39825	100.0
822.40234	3.9
839.40979	3.0
857.42426	0.7
863.40839	3.5
881.41394	0.8
899.43048	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	959.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	1.3
68.57219	0.1
68.99817	0.7
69.03458	2.5
71.01385	56.8
71.86695	0.1
72.98941	0.1
72.99311	2.4
73.02948	16.2
73.71049	0.1
75.00875	0.8
81.03469	2.2
83.01392	9.3
83.05037	2.2
84.02172	0.7
85.02956	29.8
86.00083	0.3
87.00876	3.7
87.04501	0.2
89.02446	20.0
89.95565	0.1
93.03444	0.9
95.01385	6.7
95.05033	0.2
97.02947	4.6
99.00883	7.4
99.03495	0.1
99.04523	0.5
101.02448	47.4
102.02768	0.2
107.05062	0.1
109.02959	0.9
111.00890	2.2
111.04534	2.4
112.01607	0.1
113.02458	27.5
115.04002	0.7
119.03505	8.5
121.02973	0.2
122.03799	0.1
123.00912	0.2
123.04517	0.2
125.02454	6.9
127.03953	0.1
129.01961	0.7
130.21513	0.1
131.03502	1.8
135.04492	0.2
137.02451	0.5
138.03282	0.2
139.04034	1.4
141.01971	0.9
143.03514	4.1
145.05081	0.6
149.04543	0.3
151.04024	0.1
153.05585	0.3
155.03535	0.3
159.03001	3.6
161.04575	16.5
163.04007	0.2
164.04784	0.2
167.03482	0.2
173.04561	0.2
179.05644	2.6
180.43874	0.1
185.04637	0.2
203.05798	0.4
205.03650	0.2
213.09196	0.2
221.06696	1.6
225.09219	0.7
226.10062	0.1
230.65884	0.1
233.06680	0.6
245.06747	1.7
263.07773	1.6
305.08875	0.6
323.09869	3.6
325.21658	0.2
337.18164	0.5
353.21188	1.2
465.26614	0.5
481.25784	0.2
497.29239	9.9
498.29596	0.2
515.29968	0.2
581.31677	0.1
616.04022	0.1
641.33282	0.2
651.66486	0.1
659.34601	10.1
660.35303	0.2
755.36133	0.2
803.38751	8.7
804.38867	0.5
821.39850	100.0
822.40045	3.5
822.54346	0.2
839.40979	1.7
855.40454	0.4
857.42267	0.8
863.40680	2.6
881.42285	0.6
899.43170	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	959.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01933	1.3
69.03496	0.9
71.01389	49.9
72.01756	0.7
72.99324	1.8
73.02954	14.6
73.86222	0.6
75.00894	1.2
81.03487	1.2
83.01410	10.6
83.05035	1.5
84.02192	1.3
84.77943	0.7
85.02970	29.8
85.03462	1.3
87.00899	3.6
89.02457	26.4
92.10206	0.8
93.03453	0.9
95.00863	0.8
95.01372	5.7
95.90136	0.7
96.96038	0.9
97.02963	3.5
99.00897	7.2
101.02451	43.4
104.84319	0.7
111.00932	1.1
111.04542	3.9
113.02464	28.5
116.92934	0.9
119.03510	7.0
125.02444	3.1
135.04524	1.1
137.02415	1.1
143.03563	3.7
159.02991	2.8
161.04570	10.4
175.04002	0.9
179.05679	0.9
191.05643	3.0
465.26160	1.0
497.29080	7.7
659.34784	8.7
677.34857	1.1
803.38702	4.3
821.39795	100.0
822.40210	4.4
838.39807	1.3
839.40308	14.3
857.42035	2.5
863.39929	1.0
899.43549	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	957.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	1.3
69.03465	6.2
71.01380	78.2
72.99334	1.8
73.02946	22.9
73.77119	0.7
75.00887	1.6
75.83103	0.8
79.01859	0.7
80.15089	0.8
81.03458	6.7
83.01385	19.0
83.01814	1.1
83.05022	8.6
84.02164	1.2
85.02950	52.4
87.00874	10.1
89.02441	29.8
95.01381	12.6
96.96033	5.1
97.02937	11.5
99.00858	12.3
99.92605	3.7
101.02441	68.7
108.12157	0.9
109.02973	3.3
111.00917	3.5
111.04520	15.1
113.02453	41.3
114.73408	0.9
114.93376	0.8
116.92858	28.5
119.03505	8.8
121.02953	8.2
123.04568	1.6
125.02434	15.9
127.04040	0.7
129.01945	1.2
131.03455	1.1
135.04501	1.4
137.02469	3.6
139.04004	1.6
141.01952	0.9
143.03525	6.5
153.05547	1.1
159.03023	3.2
161.02448	0.9
161.04553	17.5
167.03540	1.0
173.04526	1.7
179.05621	1.1
181.05119	0.9
186.28900	0.8
191.05606	4.7
221.06693	0.9
245.06677	3.5
325.21759	3.7
369.20819	1.8
409.16861	4.3
447.27811	0.8
495.27594	3.6
513.28650	14.3
657.33069	4.9
675.34009	11.0
793.40564	1.7
819.38220	40.9
837.39240	100.0
838.39752	4.5
855.40283	21.0
879.40338	12.6
895.62201	1.1
897.41473	53.6
898.41565	1.7
957.46399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89841	1.5
71.01385	42.5
73.02955	7.9
83.01406	3.5
84.26688	1.5
85.02950	17.1
87.00909	3.2
89.02439	35.5
93.03468	2.2
95.01424	2.0
97.02978	2.2
99.00893	2.3
101.02449	34.9
112.08958	1.4
113.02458	23.6
119.03502	11.9
125.02457	7.1
131.03519	6.8
135.04489	2.2
135.42677	1.5
143.03586	2.0
153.10521	1.6
159.03040	1.9
161.04526	11.0
179.05687	6.8
191.05681	1.8
208.23730	1.4
210.67480	1.7
221.06656	6.3
304.95074	1.5
315.38095	1.4
352.39505	2.0
535.93939	1.6
735.39642	17.0
813.03870	1.6
897.45184	100.0
898.45526	2.0
928.08710	1.6
957.50580	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	948.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	10.4
79.91124	12.6
87.24382	9.8
88.78614	10.1
112.34328	10.5
190.17279	10.3
209.11812	51.2
210.12292	25.0
471.34824	100.0
472.35229	69.6
473.34995	23.7
606.60699	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	949.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90521	14.5
77.13475	16.4
89.02477	23.1
101.02432	15.0
105.79154	16.7
119.52262	14.6
157.35577	13.5
163.35881	14.0
255.23286	71.3
277.21762	96.0
397.13733	63.3
593.24274	20.2
942.86334	19.4
949.56512	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	953.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.7
72.99322	0.1
73.02960	0.3
77.08770	0.1
78.01946	0.1
79.95739	2.4
80.96515	0.9
83.01380	0.1
85.02962	0.7
87.00883	0.2
89.02456	0.3
93.03452	0.5
95.95234	2.3
95.95802	0.1
96.96013	45.4
99.00896	0.1
101.02422	0.6
113.02465	0.2
122.97616	0.6
129.01971	0.1
129.41872	0.1
138.97069	1.4
150.97087	1.0
152.98657	0.3
164.98668	0.3
173.04518	0.4
177.04063	1.2
180.98157	0.9
187.07645	0.3
191.05635	0.8
192.05936	0.1
198.99228	0.5
213.00752	0.3
222.99336	0.1
225.00803	0.8
241.00279	3.4
256.99786	1.4
275.09256	0.1
313.06125	0.1
395.10358	0.1
397.92148	0.1
449.14667	0.3
450.15231	0.3
451.16550	100.0
452.16913	2.0
484.50647	0.1
548.41046	0.1
889.20898	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14654	0.5
69.03479	2.7
71.01381	43.1
72.99315	2.6
73.02946	15.4
75.00883	1.0
83.01394	6.0
85.02951	19.5
86.00105	0.8
87.00867	5.6
87.44250	0.6
88.98817	1.1
89.02438	44.6
89.12118	0.5
95.01393	2.5
97.02975	4.2
99.00875	14.2
99.04528	0.5
101.02438	40.4
111.00905	2.1
113.02451	18.6
115.04012	2.3
118.86846	0.6
119.03501	8.6
124.01686	0.7
125.02445	6.0
129.01936	0.8
131.03477	6.4
134.03790	0.7
139.20070	0.5
141.01910	0.8
143.03514	3.5
149.04597	3.7
159.03024	3.0
160.01697	1.3
161.04565	7.9
173.04550	0.7
174.68694	0.6
175.04016	2.5
191.05659	3.8
221.06747	2.5
233.06703	2.2
248.16258	0.5
283.26407	0.7
329.30710	1.2
491.36029	5.6
559.06274	0.6
653.41260	2.1
766.31927	0.6
785.45734	3.1
815.46741	2.2
887.46466	1.2
947.50854	100.0
948.50928	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	947.6183
Annotation	Unknow
Peak:m/z	Relative Intensity
75.94154	4.7
157.50423	5.5
212.89929	4.7
391.88565	6.0
444.94830	6.4
469.32922	7.6
471.34485	6.2
487.34518	8.8
491.29388	100.0
507.94873	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	947.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	0.4
74.79408	0.4
75.77483	0.4
76.72961	0.4
83.00639	0.5
83.01412	1.1
85.02982	2.0
89.02487	2.1
93.03458	2.4
94.01198	0.4
96.96023	1.9
99.00906	1.1
101.02455	1.9
102.98621	0.5
105.33459	0.5
107.01392	8.9
109.02966	2.0
112.82349	0.5
119.05020	0.8
121.02972	0.9
124.01649	0.6
125.02442	1.0
131.03485	0.6
133.02953	2.1
134.03752	1.0
135.00899	0.8
135.04546	3.1
137.02431	0.7
143.05067	0.6
149.02391	0.5
151.00389	33.9
160.01657	3.1
161.02486	5.3
161.06172	0.6
163.00371	2.3
163.04054	0.5
164.01190	0.7
169.01453	2.4
171.04468	1.6
173.04585	3.3
175.00395	2.7
175.03987	3.8
177.02000	0.5
177.05597	0.6
178.99908	8.2
179.03534	3.1
183.04585	0.9
187.04062	1.0
191.04031	0.6
191.05618	5.2
193.01476	0.7
193.05098	0.6
198.03220	0.9
199.04060	6.1
201.01965	1.7
201.05591	0.5
203.03580	1.8
211.04111	1.9
215.03531	2.8
226.02791	2.1
227.03551	6.4
227.08318	2.2
229.05084	0.6
243.03056	10.1
245.04497	0.6
255.03065	12.1
255.11458	0.5
271.02539	93.9
272.03226	3.1
273.04196	0.9
283.02533	1.9
299.02039	100.0
300.02805	67.8
301.03592	79.9
301.07150	0.8
302.04010	0.7
313.03555	1.0
315.05215	7.4
323.07825	0.9
329.03342	0.5
343.04578	1.1
425.14478	0.5
426.08664	0.5
448.81793	0.5
517.09357	0.6
609.14795	14.3
638.13141	3.7
639.13702	23.7
856.54572	0.5
944.09753	0.5
947.24731	44.0
948.25110	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	947.507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01925	0.4
68.99834	0.4
69.03481	1.4
69.12360	0.2
69.80950	0.2
70.13074	0.2
71.01389	38.2
71.05028	0.3
72.99328	1.8
73.02952	14.2
73.03352	0.5
74.40642	0.2
75.00886	1.3
75.37432	0.3
81.03493	1.7
83.01395	6.8
85.02452	0.7
85.02965	17.2
86.00117	1.4
87.00878	3.4
89.02454	25.6
95.01379	2.6
97.02953	3.7
99.00884	12.8
99.04548	0.5
101.02449	38.4
111.00880	4.1
113.02459	16.5
115.04017	2.8
119.03516	4.6
121.02946	6.0
124.01683	0.5
125.02433	6.1
127.03971	0.4
129.01955	0.7
131.03481	3.6
141.01945	1.5
143.03522	3.5
149.04596	1.5
159.03014	2.3
161.04570	7.1
191.05679	2.2
209.04550	2.9
225.52119	0.3
233.06714	2.0
283.26385	0.4
329.30655	2.1
334.19717	0.4
371.31476	0.4
491.36035	7.3
623.40198	0.4
653.40979	3.7
724.92474	0.4
785.45831	3.0
815.46594	2.2
947.50800	100.0
948.50226	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	945.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86696	0.6
71.01383	35.4
72.99305	1.8
73.02959	9.4
76.50771	0.7
78.06351	0.7
78.51870	0.7
83.01411	5.8
85.02969	12.9
87.00889	3.2
89.02447	27.7
92.18753	0.7
93.03427	0.8
95.01379	3.3
97.02972	1.2
99.00903	4.1
101.02451	31.8
113.02468	19.3
119.03513	9.3
120.32236	0.8
125.02439	6.9
131.03528	6.3
143.03551	1.2
159.02979	0.7
161.04601	6.4
167.79770	0.9
179.05623	4.0
191.05733	1.1
214.04994	0.8
221.06656	4.7
245.06612	0.8
483.52295	0.9
564.11035	1.0
723.43542	13.5
885.48633	100.0
886.48993	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	945.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98793	1.0
71.01383	12.5
72.99279	0.9
73.02934	2.0
76.58154	1.2
81.03484	1.2
83.05034	5.4
85.02971	4.2
87.00885	2.6
89.02448	10.4
95.01398	1.2
101.02435	11.5
113.02457	6.6
114.72025	1.1
118.12766	1.0
119.03503	1.7
119.05072	1.1
125.02460	4.9
125.37215	1.1
143.03459	1.5
151.95837	1.1
161.04561	1.2
163.11301	4.2
166.69812	1.1
177.43388	1.0
179.05582	1.2
200.85713	1.1
209.11862	100.0
212.82256	1.0
221.06723	1.4
227.12929	10.6
235.08289	4.2
251.83716	1.1
277.21750	56.6
287.07703	1.1
319.88602	1.3
379.12527	5.7
397.13553	35.6
415.14926	8.7
415.19714	1.3
439.64798	1.5
471.35178	4.7
472.35138	5.3
485.32700	4.7
607.26166	1.6
617.38721	1.7
754.05566	1.6
906.10016	1.4
962.01959	1.2
982.31000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.3
69.22128	0.5
71.01382	48.2
72.99325	1.2
73.02943	14.7
73.03298	0.8
79.10664	0.5
81.03484	0.7
81.13731	0.6
83.01385	8.4
85.02954	25.1
87.00864	4.1
89.02444	17.9
89.02935	0.9
92.10735	1.2
93.03458	0.7
95.01386	4.9
96.96085	0.6
97.02956	5.1
99.00881	7.7
101.02444	37.6
111.00936	2.3
113.02453	23.3
114.78957	0.5
119.03500	7.6
125.02458	7.9
131.03485	1.2
133.89264	0.6
137.02444	0.8
139.03996	0.9
143.03508	3.2
155.03433	0.7
159.02980	3.9
161.02452	0.9
161.04543	12.4
165.99947	0.7
166.21109	0.6
173.04388	0.6
179.05542	1.0
182.77080	0.6
184.90561	0.6
191.05614	3.1
221.06715	0.8
233.06558	0.6
263.07397	1.0
323.09882	2.6
324.35336	0.7
451.24545	0.7
467.31076	0.7
483.27716	6.0
645.33173	9.7
789.36896	6.1
807.38226	100.0
808.38690	1.1
821.40253	7.1
825.38916	0.8
849.39136	2.8
885.42542	3.0
909.42963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01098	1.0
69.03472	2.3
71.00784	1.5
71.01390	50.4
71.63924	1.2
72.99320	2.6
73.02958	17.8
76.57755	1.1
81.03455	1.3
83.01398	7.9
85.02956	20.9
87.00906	6.1
89.02449	38.5
95.01407	2.6
97.02952	3.0
99.00886	14.3
99.04512	1.4
101.02442	52.1
111.00906	2.0
113.02462	26.7
115.04012	1.7
119.03490	8.4
125.02452	6.9
131.03490	4.9
137.02495	1.6
137.09763	1.2
141.01991	1.5
143.03485	2.9
158.59673	1.2
159.02980	2.3
161.04556	7.8
191.05594	3.1
200.54065	1.3
221.06636	1.8
241.28383	1.2
267.21878	1.2
327.29099	2.0
489.34512	5.8
598.81726	1.5
783.43292	2.7
813.44812	2.1
885.45587	5.9
945.49280	100.0
946.48938	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	945.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94279	0.4
67.01901	1.0
69.03477	2.5
71.01382	45.4
72.99319	2.4
73.02944	15.5
74.44254	0.4
75.00867	6.8
77.29720	0.4
79.22697	0.4
81.03483	1.0
83.01386	8.5
83.05031	2.6
85.02953	23.8
87.00883	2.7
89.02441	17.6
93.03471	0.5
95.01387	6.6
97.02936	4.4
99.00874	6.9
101.02444	41.4
106.20047	0.5
109.02952	0.5
111.00888	2.3
111.04556	1.9
113.02454	23.1
117.28098	0.4
119.03502	6.1
121.02898	0.4
125.02453	5.7
129.01978	0.7
131.03464	1.7
139.04051	0.6
141.01955	0.6
143.03474	3.8
159.03017	3.6
161.04565	14.3
168.45584	0.5
179.05644	2.3
179.39322	0.5
207.20105	0.5
221.06660	0.9
233.02907	0.5
245.06648	0.7
263.07629	1.6
323.09839	2.9
324.88937	0.5
337.03906	0.5
353.21335	0.7
497.29172	7.9
659.34546	11.2
734.97382	0.6
791.38708	3.5
803.38770	6.3
821.39850	100.0
822.40552	4.0
839.40613	0.7
857.41351	0.9
863.41217	2.3
899.43170	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	945.398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	6.5
72.36895	0.3
72.99329	0.3
76.97054	0.3
84.67149	0.3
85.02958	10.8
85.83555	0.3
87.00909	0.5
89.02443	9.1
92.10833	0.6
93.03484	0.5
95.01385	0.5
96.96049	1.5
99.00866	0.6
101.02452	5.9
101.03024	0.4
103.04018	24.5
104.07582	0.3
111.04544	0.5
113.02466	4.9
117.03481	1.8
117.05621	0.3
118.98120	0.8
119.03502	5.5
121.03037	0.3
132.02194	1.2
133.02980	1.5
134.03748	27.5
135.04539	1.3
137.02444	1.2
143.03558	0.6
145.05099	0.5
147.04555	1.5
148.05392	0.6
149.06093	5.2
151.04033	0.5
160.01677	13.5
160.03775	0.5
161.02467	4.8
161.04575	0.4
164.04730	0.5
173.04646	0.5
175.04013	25.1
176.04796	7.9
177.01970	1.8
178.02733	1.7
179.05682	1.2
191.05602	2.3
191.07187	9.7
192.04309	1.2
193.05086	26.8
200.53862	0.3
207.06651	3.8
217.05247	0.4
220.03841	1.8
235.06143	16.6
241.00383	0.3
247.08278	0.4
265.09335	65.4
266.09613	0.5
295.08264	4.0
337.09402	1.3
416.19376	0.3
441.14099	100.0
442.14429	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	943.6312
Annotation	Unknow
Peak:m/z	Relative Intensity
82.15295	0.9
85.61481	0.9
89.03962	1.0
117.03481	6.0
134.03746	100.0
137.02426	1.6
146.31108	1.1
147.04568	2.2
149.06052	10.8
160.01663	4.1
161.02454	1.7
162.06873	1.2
175.03993	1.7
178.02679	5.8
193.05078	91.2
205.71512	0.9
234.28188	1.4
262.20740	0.9
267.72607	1.0
277.21811	1.0
407.33533	1.7
434.31720	1.1
453.33801	35.3
469.33295	2.1
471.34854	92.8
472.35544	1.7
541.62006	1.2
576.61707	1.1
647.39636	95.6
675.82239	1.1
772.20746	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	943.7042
Annotation	Unknow
Peak:m/z	Relative Intensity
74.09469	0.1
77.02439	0.1
77.19639	0.1
77.32967	0.1
81.49750	0.1
92.10120	0.2
129.17307	0.1
137.11623	0.1
174.47601	0.1
181.48602	0.1
217.69086	0.1
295.78641	0.1
323.95367	0.1
393.31622	0.6
398.62717	0.1
405.31827	0.1
409.31122	0.1
427.36359	0.1
469.33356	0.9
470.33740	0.5
471.34872	100.0
472.35184	2.8
473.36456	0.4
668.69269	0.1
900.19818	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	945.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	0.1
72.59451	0.1
79.95737	5.5
80.96517	0.1
85.02966	0.1
87.00883	0.1
89.02474	0.1
89.73070	0.1
93.03466	0.1
95.95242	0.1
96.96008	100.0
101.02431	0.1
108.02184	0.1
110.97581	0.6
113.02464	0.1
121.02971	0.1
123.04565	0.2
135.04515	0.1
136.01671	0.1
137.02470	0.8
150.03207	0.1
151.04015	0.4
163.03914	0.1
165.05528	0.1
173.04507	0.1
175.04112	0.4
177.05588	0.2
190.06424	0.1
191.05629	0.5
203.07188	0.1
216.97972	0.1
217.87990	0.1
221.08240	0.1
222.05392	0.1
230.99591	0.1
233.01184	0.1
245.01180	0.3
247.05894	0.1
267.06561	0.1
269.08087	0.4
279.06686	0.3
283.09689	0.1
295.71555	0.1
297.07736	2.4
298.08408	0.3
309.07782	0.1
309.11511	0.1
311.09369	0.1
312.10080	1.7
313.10834	0.4
327.12445	0.5
339.12628	0.1
357.13535	0.3
422.07065	0.1
437.09183	49.2
438.09293	1.0
507.26062	0.1
552.72498	0.1
878.93127	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.5
71.01385	20.0
73.02945	2.9
80.02690	1.2
81.03466	3.6
83.01389	1.5
83.05040	1.6
85.02969	4.6
87.00900	3.8
89.02441	18.3
92.10867	1.6
95.01392	0.8
97.02956	8.9
97.26479	0.7
99.00897	2.9
101.02440	13.9
107.05056	1.2
109.06598	30.6
110.03770	1.4
113.02469	9.7
119.03513	4.7
121.06596	3.0
125.02475	4.2
135.08173	3.9
136.05231	1.2
142.02707	1.5
143.03523	1.8
161.04555	4.4
161.09741	1.5
163.11295	19.6
179.05594	1.8
181.12361	7.2
189.09320	1.8
207.10294	100.0
209.11864	1.7
221.06720	4.1
222.47340	0.9
225.11356	51.6
235.08238	3.7
243.12537	1.7
277.21765	43.1
281.13889	1.0
299.15039	3.0
341.10583	0.7
379.12494	4.8
397.13593	26.8
415.14664	9.2
587.23315	1.2
605.24646	7.0
623.25763	7.8
688.73248	0.8
823.00403	0.9
865.45551	1.7
883.47156	60.1
922.76514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61903	1.3
69.03458	2.1
71.01384	23.5
72.99310	1.9
73.02976	2.2
75.11398	1.4
81.03464	2.4
83.01386	5.0
83.05039	2.3
83.06354	1.1
85.02952	5.4
87.00875	5.5
89.02441	28.3
89.17155	1.5
95.01377	1.5
97.02941	11.7
99.00890	2.2
101.02448	20.5
109.06596	28.9
113.02478	11.6
119.03484	2.7
121.06598	2.2
125.02443	5.4
130.07820	1.3
135.08131	1.8
136.05296	2.9
142.02721	2.1
143.03487	2.6
151.73062	1.5
161.04588	1.8
161.09766	1.2
163.11316	23.5
179.05530	1.8
181.12334	5.4
205.40749	1.5
207.10306	100.0
221.06639	2.2
222.05678	1.4
225.11349	38.5
226.46103	1.5
235.08284	7.1
277.21777	74.2
299.14960	1.6
379.12451	6.7
397.13614	40.7
415.14532	9.5
485.32056	1.7
587.22510	1.6
605.24408	7.3
623.25439	2.4
865.45374	1.8
883.47137	69.0
883.64423	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	941.6877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89817	0.3
71.05020	0.5
80.63689	0.2
112.72914	0.3
138.68245	0.3
303.29059	0.4
405.31638	0.4
409.31265	0.5
423.32822	5.5
427.35660	0.4
469.33310	100.0
470.33707	3.4
471.34872	26.7
472.35150	0.3
520.34540	0.4
956.29651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	11.7
73.02969	5.4
74.72542	1.4
82.90919	1.2
85.02987	6.0
89.02456	3.0
92.10854	2.8
95.26361	1.3
101.02464	7.2
106.53944	1.2
113.02452	6.4
116.92885	1.8
117.03488	1.6
119.05029	79.7
131.47391	1.2
132.05849	1.7
143.03555	1.3
145.02982	4.5
161.04524	4.5
163.04021	100.0
191.05713	1.5
325.39426	1.7
453.33801	30.0
617.38599	90.5
659.33557	1.6
754.21765	1.5
821.39441	11.0
941.48932	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	941.35
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45409	0.1
71.01379	0.2
79.95738	40.8
80.96511	0.7
85.02979	0.2
89.02424	0.2
93.03443	0.6
95.95235	11.7
96.96012	87.4
108.02203	0.3
109.02977	0.2
109.96803	0.3
110.97592	6.0
123.04525	0.3
133.02888	0.2
133.96606	0.1
135.04507	0.7
136.01591	0.2
137.02454	2.2
141.95781	1.8
147.04376	0.2
149.99959	1.4
150.03273	0.3
151.00697	0.2
160.01703	0.2
160.05309	0.6
161.02368	0.7
161.06029	0.3
163.04012	0.7
164.04823	0.2
164.98598	0.6
175.04002	0.2
175.07713	0.4
177.05591	1.2
178.06403	0.3
179.03479	0.2
181.05139	0.2
181.98849	0.2
191.05632	1.9
193.05110	0.2
259.02805	2.7
273.04434	0.7
301.03934	0.7
315.05453	1.0
323.07614	0.2
329.13898	1.3
409.05988	0.3
424.08444	6.0
439.10782	100.0
440.11185	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	941.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97141	0.2
68.72599	0.2
71.01390	1.0
73.02925	0.3
73.98275	0.2
74.45497	0.2
79.95745	5.6
85.02967	0.3
87.00854	0.3
89.02454	1.1
93.03447	0.3
96.96017	100.0
98.95631	0.2
101.02446	0.4
103.88879	0.2
110.97574	0.5
113.02493	0.2
121.02909	0.3
124.55578	0.2
125.02370	0.2
135.04533	0.4
137.02452	1.3
145.02972	0.3
150.03250	0.3
151.04071	0.5
155.10725	0.4
159.73178	0.2
161.02400	0.4
163.03995	0.3
167.03476	0.2
173.04509	0.3
175.03984	1.2
181.04904	0.2
190.06389	0.3
191.05602	2.2
196.06828	0.2
211.11447	0.2
295.45215	0.2
297.07785	1.9
312.10101	1.8
327.12231	0.3
340.25320	0.2
430.19626	0.2
437.09180	44.7
438.09509	1.3
441.29413	0.2
452.96075	0.2
505.13104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33197	0.3
69.80296	0.3
71.01367	0.7
79.95733	38.4
80.96507	0.4
82.03243	0.4
85.02977	0.4
89.02441	0.6
93.03450	0.5
95.95228	13.1
96.96004	84.2
99.56223	0.3
102.86909	0.3
102.98643	0.4
108.02201	0.3
110.97582	5.6
134.03787	0.4
135.04536	0.5
137.02412	2.1
141.90562	0.3
141.95773	1.9
149.99907	1.3
158.79933	0.3
161.02400	1.8
163.04007	0.4
163.69577	0.3
164.04730	0.5
175.04141	0.4
177.05608	0.6
179.03432	0.5
181.05049	0.4
191.05624	2.9
259.02756	2.5
315.05515	0.5
329.14008	1.2
382.23315	0.3
424.08398	4.6
439.10733	100.0
440.11081	0.8
963.88208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.643
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35099	0.3
71.01391	1.8
74.09921	0.4
83.05046	0.7
89.02471	1.6
92.10866	0.8
93.03484	0.5
96.96059	0.7
99.00931	0.4
101.02466	1.6
102.98589	0.6
113.02495	0.4
121.02964	0.6
135.04543	0.7
150.03218	1.0
161.02492	0.6
165.05618	0.5
173.04558	0.4
175.03996	0.4
177.02037	0.4
187.84413	0.4
191.05659	3.6
193.05069	1.5
204.04387	0.4
225.16188	0.7
254.05363	0.5
262.71915	0.4
282.33762	0.4
345.15839	0.6
373.13309	0.5
376.80008	0.4
379.71487	0.4
431.19830	0.5
433.15134	0.4
451.32947	0.7
624.75836	0.4
642.51697	0.4
903.66516	2.5
939.64368	100.0
940.64429	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	939.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24918	1.2
71.01405	6.6
89.02449	12.2
92.10137	5.6
99.00877	2.1
101.02441	5.2
113.02470	1.5
117.05805	1.5
119.05032	2.9
149.04500	1.5
163.04041	2.3
192.70241	1.3
319.14023	7.9
376.98730	1.6
451.18231	30.4
487.15964	100.0
637.06714	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	939.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03482	0.4
71.01385	0.7
71.05019	0.1
73.02964	0.1
80.05638	0.1
81.03481	0.1
83.05029	0.6
84.02149	0.1
85.02991	0.4
89.02483	0.7
92.10188	0.1
95.04990	0.1
97.06618	0.4
99.00895	0.4
99.08160	4.7
101.02471	0.2
102.05583	0.1
123.08132	0.1
125.09724	1.3
127.07709	0.1
127.11304	2.8
127.12187	0.2
129.09213	0.2
137.09760	0.1
139.11317	1.5
148.11441	0.1
149.04604	0.1
155.10818	0.4
155.14444	0.7
163.11426	0.1
165.12892	0.7
167.10835	0.4
167.14427	1.5
171.10287	5.9
181.12431	0.2
183.13914	5.7
183.15561	0.2
185.11839	0.1
193.12355	2.1
199.13449	0.4
201.14908	0.1
209.11838	1.7
211.13441	36.9
212.13835	0.3
229.14485	21.6
230.89868	0.1
293.21368	1.1
311.22394	0.9
327.21985	0.1
329.23398	100.0
330.23697	1.7
468.90524	0.1
544.76642	0.1
609.33099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4059
Annotation	Rebaudioside F
Peak:m/z	Relative Intensity
71.01384	11.7
72.99330	0.6
73.02952	3.9
79.44348	0.5
83.01421	0.9
85.02957	6.0
89.02441	5.8
95.01393	0.8
97.02938	0.9
99.00887	3.0
101.02455	11.8
113.02465	7.1
119.03528	0.9
125.02437	1.1
135.04558	0.6
142.31270	0.4
143.03458	0.7
159.03020	0.9
161.04576	2.7
191.05594	1.8
200.32312	0.5
323.09958	0.5
339.86566	0.4
373.18774	0.9
497.29379	1.1
501.25296	0.5
536.71619	0.5
629.28644	0.6
659.34729	1.7
793.49652	0.5
803.39001	0.6
821.39813	19.3
935.40552	100.0
936.40405	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	935.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.8
69.10748	0.2
70.03393	0.2
71.01392	2.2
71.05022	0.2
73.02968	0.9
75.29172	0.2
80.10816	0.2
81.03473	0.3
83.01397	0.3
83.05036	0.5
85.02946	4.3
89.02448	0.7
92.10760	0.9
95.01414	0.2
95.05032	0.8
97.02947	0.4
97.06587	3.8
99.00884	0.5
101.02438	2.6
107.17123	0.2
113.02475	1.0
116.70722	0.3
125.09721	1.0
127.11295	1.5
137.09697	0.9
148.46220	0.2
150.06860	0.3
155.10814	0.7
155.14450	0.5
161.04565	0.5
163.11356	0.2
165.12898	1.1
167.14378	0.8
170.53430	0.2
171.10284	8.2
177.12885	1.3
179.10779	0.4
181.12376	0.2
183.13916	4.3
185.11823	1.2
193.12343	1.3
197.11926	0.7
203.10786	0.3
209.11848	2.2
211.13434	23.8
212.13838	0.2
221.11835	3.8
229.14479	16.3
239.12880	2.3
247.20476	0.3
257.14218	0.2
291.19684	4.1
307.20981	0.2
309.20743	1.2
316.60056	0.2
327.21823	100.0
328.22150	2.5
352.56372	0.2
367.75314	0.2
380.81201	0.2
441.87479	0.2
607.31378	6.0
773.47137	0.4
935.52692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68976	3.4
69.03474	6.1
69.25838	3.1
70.73666	3.2
71.01394	100.0
73.02965	8.5
75.00900	3.6
83.01411	4.7
85.02998	16.7
87.00915	4.6
87.83570	3.7
89.02456	81.8
93.03499	17.3
96.96032	4.4
97.02962	18.7
99.00900	8.8
101.02431	30.3
113.02448	9.1
115.04041	18.8
121.02985	7.2
122.03754	4.5
123.00918	6.8
125.02463	43.9
131.03520	5.9
135.04544	14.8
136.01674	18.4
137.02493	28.9
149.02460	23.7
149.04541	7.1
150.03247	71.6
151.00395	9.7
151.04033	25.9
161.02402	4.7
163.04068	7.6
165.01955	69.2
165.05557	73.4
166.02754	40.1
173.04562	14.3
175.04030	3.8
177.01955	24.4
179.03548	20.4
180.04276	44.8
181.05098	52.6
183.82527	4.0
191.03677	3.6
191.05611	32.2
193.05066	4.1
195.06639	67.1
196.06143	4.2
205.05051	8.0
225.07669	24.4
233.06657	43.6
293.08838	98.4
387.14777	17.1
417.15558	8.6
433.15088	7.3
535.19788	15.6
544.48816	4.8
583.22180	53.3
595.21729	27.8
611.97656	5.1
643.23950	31.4
652.02441	4.4
777.75507	5.4
970.13196	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	933.6968
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84138	0.3
64.90913	0.4
68.36469	0.4
75.47050	0.4
85.56580	0.4
128.19150	0.4
147.01619	0.4
157.73308	0.4
294.84497	0.6
301.10828	0.4
302.74091	0.4
336.78101	0.5
362.68472	0.5
407.33170	2.0
455.35406	100.0
456.35760	2.2
545.21906	0.5
569.88373	0.5
933.69733	90.7
934.70172	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	933.6969
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10870	0.5
124.10496	0.3
177.83122	0.3
182.25888	0.3
304.27478	0.4
360.82385	0.4
455.35397	100.0
456.35577	3.6
649.02100	0.4
933.69708	65.8
934.70331	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	933.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	0.9
67.31512	0.8
68.36366	0.7
69.03482	1.8
71.01382	52.5
72.99322	1.7
73.02941	21.1
74.20824	0.8
74.72754	0.7
75.00881	1.1
81.03465	1.5
83.01386	6.8
85.02966	18.3
87.00878	8.0
87.04514	0.9
89.02446	42.9
93.03436	9.2
95.01401	3.7
97.02960	6.1
99.00883	24.9
101.02438	43.0
111.00884	3.9
111.04538	1.1
113.02454	16.3
115.03992	5.2
119.03499	5.3
125.02435	8.2
129.01852	0.9
131.03487	6.6
133.72842	0.9
135.04521	1.2
141.01915	1.2
143.03502	4.4
149.04524	2.8
159.03036	2.0
161.04575	4.6
173.04553	5.0
191.05638	11.5
233.06630	4.5
234.09512	0.8
237.07668	1.7
299.25824	1.0
345.30151	6.7
449.14590	1.8
467.16074	3.4
507.35522	7.7
636.60608	1.1
669.40308	3.0
771.90369	1.1
801.44940	4.3
933.49237	100.0
934.49689	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	932.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70235	0.9
69.03451	1.4
71.01381	55.3
72.01743	4.8
72.99325	1.9
73.01810	1.1
73.02943	23.5
73.03288	1.3
74.03332	1.3
75.00862	1.1
81.03487	1.5
83.01395	8.5
83.05034	1.8
84.01737	1.2
85.02947	23.4
86.03324	4.2
87.00882	1.9
89.02437	17.9
90.02753	1.2
95.01414	7.3
96.01723	1.4
97.02962	4.8
97.66886	1.0
98.65004	1.0
99.00872	17.0
99.33109	0.9
100.01257	1.9
101.02431	34.6
102.02816	6.2
103.02895	1.9
111.04541	4.7
113.02449	15.4
114.02817	4.4
115.04020	2.4
120.68372	1.0
125.02469	8.8
126.02811	1.6
131.03494	1.8
143.03543	1.8
149.04568	1.2
161.04604	4.3
162.04926	1.9
176.01152	12.9
177.01482	1.4
191.03549	6.9
191.05627	1.8
191.29031	1.3
233.06750	4.2
296.93069	1.2
458.81015	1.1
497.28989	4.4
498.29919	7.6
499.30023	6.4
500.30212	3.7
578.28534	1.0
660.34796	2.0
661.35321	4.4
662.35919	2.1
707.44409	1.2
791.38544	5.3
792.39117	23.6
793.39276	69.8
794.39673	100.0
932.42706	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	933.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51316	0.9
69.03462	4.5
71.01382	51.2
72.99339	1.1
73.02950	20.9
75.00871	1.2
81.03452	1.6
83.01405	5.7
85.02962	19.3
87.00893	6.2
89.02448	41.1
92.10855	1.9
93.03441	1.5
95.01403	5.1
96.95992	1.7
97.02976	5.5
99.00887	22.7
99.04488	1.2
101.02445	42.6
111.00891	5.9
113.02460	17.9
115.03983	5.0
116.92877	1.8
119.03474	6.3
124.01750	1.4
125.02439	6.7
129.01849	1.1
131.03494	5.1
134.03639	1.2
135.04552	1.7
137.02466	1.2
143.03513	1.2
149.04565	2.5
151.76689	1.1
161.02473	4.2
161.04573	6.5
167.03461	1.2
173.04520	1.5
184.71767	1.3
191.04221	1.2
191.05568	8.7
193.05093	1.4
195.06671	1.5
233.06718	2.0
285.23227	1.2
337.50165	1.1
345.30002	1.9
507.35553	4.4
615.98212	1.1
662.85175	1.3
669.40497	1.7
685.85364	1.3
801.45685	2.3
810.26074	1.4
933.49359	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	929.6901
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23833	1.1
66.72196	1.0
66.88686	1.2
105.04388	1.4
110.21940	1.3
148.17381	1.3
153.33368	1.3
198.52374	1.3
267.77896	1.3
391.30234	1.9
393.31775	2.9
439.32370	9.0
441.33844	82.2
442.34061	5.1
457.33664	44.1
462.90158	1.4
469.33664	2.4
470.33844	1.6
471.34894	100.0
472.35446	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	932.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	58.3
71.20592	4.1
72.01734	5.5
73.02961	26.5
74.72293	4.4
83.01426	6.1
85.02977	28.0
89.02475	29.3
92.66096	4.7
93.03501	6.0
97.02991	7.0
97.04118	4.8
99.00899	22.8
101.02456	46.4
113.02469	29.4
113.42344	4.3
114.02769	5.2
121.02935	9.3
125.02464	9.2
131.03447	4.9
135.04553	5.4
161.04596	8.0
191.05586	8.0
227.14851	4.8
434.57455	5.2
498.29062	6.8
517.53760	5.2
792.38861	23.9
793.39349	72.2
794.39606	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	929.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35238	0.6
69.95756	0.8
71.01371	5.3
73.02955	1.1
79.00401	0.6
83.01424	0.9
85.02974	1.7
87.00896	3.2
88.00421	4.0
88.98806	100.0
89.02451	11.9
99.04623	0.7
101.02470	3.4
113.02461	1.7
163.41618	0.8
236.55336	0.8
275.59308	0.7
323.97702	0.7
397.77060	0.7
691.34686	0.8
791.39178	7.8
809.39526	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	929.44
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34998	0.5
66.34326	0.5
69.03461	3.5
71.01380	36.9
71.01775	1.4
72.99306	1.2
73.01189	0.5
73.02945	13.2
75.00881	1.4
81.03473	2.3
83.01397	6.3
83.05022	4.2
85.02949	16.7
87.00870	2.8
88.98778	4.4
89.02445	17.8
92.10877	1.1
93.03461	0.9
95.01379	3.3
96.96011	0.7
97.02958	4.8
99.00875	10.0
99.04556	0.7
99.83528	0.6
101.02434	23.2
108.56672	0.5
111.00920	0.6
111.04486	4.4
113.02457	14.5
115.04008	5.1
115.31859	0.6
125.02440	7.9
131.03493	2.3
134.03731	2.9
140.11325	0.6
143.03500	1.0
149.04501	0.6
149.06099	1.2
159.02936	2.8
160.01697	6.0
161.04582	5.3
170.03679	0.6
175.04001	8.5
176.04787	0.9
191.05577	3.3
191.07109	2.0
193.04979	1.3
215.03874	0.6
233.06708	4.8
235.06172	0.9
293.08847	3.4
295.08237	0.7
325.86414	0.6
353.21011	1.1
355.10355	1.0
385.03381	0.6
437.26944	0.6
497.29172	8.7
659.35199	4.1
707.34302	1.4
745.93250	0.7
773.37701	2.9
791.38721	100.0
792.38971	4.1
809.39673	0.7
869.42029	1.1
912.30457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.6735
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34964	1.3
75.64605	1.0
101.57733	1.1
152.13556	1.2
199.11314	1.6
210.51746	1.4
267.35339	1.2
299.14124	1.2
377.28809	1.8
391.30090	8.9
393.31812	10.9
395.29623	10.5
407.33682	1.3
409.31137	5.5
411.32776	100.0
412.33191	4.1
425.34369	6.9
451.31326	1.4
453.33841	11.4
455.31757	94.7
456.31857	1.9
457.32507	1.7
469.33099	14.5
470.33472	2.4
471.34949	29.5
623.75519	1.3
627.29510	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	927.7105
Annotation	Unknow
Peak:m/z	Relative Intensity
75.94594	0.2
161.37912	0.3
306.84915	0.3
352.73004	0.3
369.18573	0.3
393.31931	0.3
409.31058	0.5
421.65884	0.3
423.32980	0.5
439.32208	2.8
455.31845	1.1
457.33350	11.5
469.33310	100.0
470.33704	7.2
471.34726	10.0
484.38922	0.3
743.46985	0.3
744.52344	0.3
867.48053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	16.3
73.02946	7.2
80.29954	0.8
83.01413	1.9
85.02940	9.2
87.00906	1.8
87.04523	1.6
89.02439	12.9
89.03969	1.0
92.10724	1.3
95.01384	1.5
96.95997	1.0
97.02940	4.0
99.00900	4.5
101.02442	17.9
111.04572	1.0
113.02441	10.7
117.03483	6.8
117.56574	1.1
119.03472	1.1
121.02942	1.2
125.02477	6.7
132.02165	18.3
133.02963	2.2
134.03746	94.0
135.04532	3.6
137.02455	4.7
137.09731	1.5
139.03990	1.4
143.03529	1.6
149.02412	1.3
149.06087	10.9
150.03276	3.7
151.00397	1.9
155.10809	7.2
160.01675	100.0
161.02437	4.2
161.04587	5.1
163.03995	1.3
165.05525	1.3
166.02722	10.5
175.04025	87.2
178.02762	10.7
179.03415	1.3
181.05054	13.7
191.05693	2.2
193.05077	55.5
199.09775	2.0
235.06079	1.4
259.94122	1.1
283.11954	1.1
291.18259	7.8
343.14258	1.3
361.22687	1.4
417.15457	4.6
423.22464	9.6
592.43719	1.1
727.26758	1.1
729.31830	1.6
730.21533	1.0
761.30261	2.0
923.37866	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88677	0.3
74.23437	0.3
92.10715	0.4
98.74503	0.3
99.92590	9.4
114.93426	0.7
116.92863	100.0
116.97268	1.7
117.92842	0.5
121.27926	0.3
266.20746	0.3
287.11548	0.4
951.63336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
95.75468	0.4
99.29525	0.4
99.92590	7.4
114.93421	0.7
116.92862	100.0
116.97253	1.9
117.01952	0.5
117.92849	0.7
124.03456	0.4
205.09866	0.4
218.67053	0.4
287.19577	0.4
391.63669	0.4
401.44226	0.5
422.02640	0.4
560.99695	0.5
609.80835	0.5
802.34363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	4.8
73.02943	1.0
79.95741	14.9
80.96504	7.1
83.01399	0.7
85.02971	2.9
87.00880	1.2
89.02426	0.9
96.96011	100.0
101.02441	5.5
113.02479	3.2
134.03653	0.7
135.04538	0.8
138.97070	5.0
150.97134	1.7
151.03923	0.8
155.10826	0.7
161.04553	0.7
191.05638	1.4
209.93399	0.7
241.00261	14.6
247.22409	0.8
309.83075	0.7
763.73615	0.8
889.46417	1.2
925.41278	50.3
926.40961	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	921.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43726	3.2
71.01405	16.1
82.58859	3.8
87.00927	5.0
89.02435	17.0
101.02504	6.3
113.02464	4.2
125.02435	4.3
209.11874	100.0
223.66866	4.1
227.12971	19.1
245.40886	4.3
272.83484	4.2
277.21823	59.8
322.76242	3.9
345.98071	4.3
379.12625	7.7
397.13562	68.5
415.14581	5.5
492.47366	4.3
675.35065	5.5
921.46069	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32745	6.9
69.79508	6.1
71.01386	14.3
77.09627	6.9
89.02462	14.8
91.04383	6.6
98.13380	6.4
109.06595	11.8
109.65729	6.3
144.41415	7.5
163.11302	12.3
166.62036	7.3
199.13457	6.9
200.13452	8.7
207.10335	100.0
225.11278	50.3
277.21713	62.3
331.54395	7.0
336.36621	8.5
397.13547	57.4
406.04733	8.3
415.14645	13.6
463.65710	8.4
581.92804	8.7
605.24170	9.6
623.25214	11.7
883.47150	98.4
919.44019	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
86.54333	0.5
88.46337	0.5
97.06651	0.5
99.08150	3.9
121.10245	5.1
125.09716	0.6
125.30951	0.5
127.11307	1.0
137.09827	0.6
137.36322	0.6
139.11353	0.7
145.24960	0.6
165.09200	0.6
170.47562	0.5
171.10274	48.0
193.12349	8.1
203.98401	0.5
211.13486	1.1
225.14996	10.8
243.15996	3.6
291.25949	0.5
293.21295	3.0
343.24936	100.0
344.25363	1.0
511.57458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	94.1
71.10258	5.4
72.01746	7.7
72.37812	5.2
73.02965	29.2
74.03331	6.1
77.18932	5.2
80.25793	5.6
83.01394	10.6
85.02956	44.1
86.03329	5.6
89.02449	52.1
90.74673	6.2
93.03424	6.6
99.00907	11.4
101.02448	72.1
109.02982	5.5
113.02479	42.1
116.28687	6.4
116.92862	11.9
117.93044	5.8
119.03515	10.8
125.02480	12.9
125.03316	6.9
131.03577	6.4
133.02850	7.6
135.04588	8.2
141.53850	6.1
142.84845	5.8
158.23203	6.8
161.02419	10.3
161.04573	10.7
162.04851	7.1
191.05623	79.0
192.06003	7.3
199.61850	5.8
325.54245	6.1
396.85275	7.3
404.27246	6.2
527.20508	8.6
822.39783	9.0
823.40344	49.7
824.40173	100.0
859.42090	10.9
860.42072	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.5
71.01385	64.5
72.01738	9.2
72.99330	2.1
73.02950	19.5
76.57495	1.2
76.74168	1.3
81.03458	1.9
81.55802	1.4
83.01401	9.6
83.05037	5.8
84.02190	1.5
84.56602	1.3
84.77395	1.4
85.02957	47.3
86.03275	10.0
87.00884	5.7
87.03416	1.4
89.02438	23.7
90.02771	1.5
91.02864	1.7
95.01403	3.3
97.02983	5.4
99.00882	9.5
100.71498	1.4
101.02446	49.0
102.02813	8.1
103.02882	3.1
109.25401	1.3
111.00861	2.6
111.04540	8.0
113.02438	19.7
114.02818	2.2
116.92860	8.6
119.03516	8.6
121.87144	1.5
123.96748	1.3
125.02447	8.9
128.31009	1.4
129.96585	1.4
132.03883	1.5
143.03548	1.9
159.02943	2.1
161.04597	9.1
162.04938	1.9
163.05042	1.5
199.01532	1.4
209.89095	1.6
264.01709	1.3
284.95251	1.4
311.96286	1.5
323.09995	1.4
378.63638	1.4
456.24628	1.7
534.31427	1.8
535.31464	1.8
696.36761	2.4
697.37042	3.4
698.37097	9.0
857.40912	2.0
858.42480	7.7
859.42767	44.2
860.42743	100.0
920.42261	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	919.448
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42827	9.4
71.01381	10.8
73.49174	10.7
78.95901	14.9
89.02451	12.2
94.89993	10.6
101.02483	17.9
102.77550	11.2
105.52340	13.2
109.06590	16.0
116.92907	19.6
118.28003	10.8
145.02937	24.1
163.11287	17.3
164.66986	11.2
169.49438	12.0
192.78018	14.4
199.85561	11.9
207.10295	100.0
225.11320	15.5
231.80911	11.6
277.21744	63.0
381.34653	12.3
397.13513	54.8
454.24039	11.7
454.31213	11.9
617.18018	15.7
706.66705	15.7
728.35974	14.3
883.46759	53.7
919.45355	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	917.497
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61917	1.4
69.03453	1.6
71.01385	65.0
72.99313	3.1
73.02942	27.2
83.01392	6.8
85.02962	22.5
87.00891	2.6
89.02445	62.3
90.67363	1.3
92.10870	2.5
95.01408	1.7
95.99555	1.4
96.96003	1.8
97.02934	2.7
97.45747	1.7
99.00887	29.7
101.02437	49.6
106.12848	1.3
106.99632	1.4
111.00891	2.8
113.02473	21.8
115.04012	2.7
119.03490	7.1
125.02430	7.6
125.98373	1.4
131.03510	9.4
144.57715	1.3
149.04550	8.4
161.04567	5.3
191.05647	8.4
233.06683	2.0
269.34915	1.6
388.09689	1.4
465.40366	1.4
491.36026	5.8
491.59454	1.8
532.30841	1.4
587.29260	1.6
785.45453	6.2
917.49725	100.0
918.49866	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	3.0
71.01382	49.2
72.99309	2.1
73.02943	21.9
75.00867	1.3
77.65483	0.5
81.03477	1.2
83.01396	9.2
85.02949	19.2
86.00108	1.1
87.00880	5.9
88.61588	0.5
89.02443	35.4
95.01382	4.0
97.02940	5.5
97.19687	0.6
99.00877	22.8
101.02443	45.3
102.73358	0.6
109.02897	0.6
111.00887	4.3
113.02451	16.0
114.27433	0.6
115.04011	5.5
119.03506	3.6
124.01680	0.7
125.02453	8.3
125.09818	0.5
129.01961	1.0
131.03458	5.1
141.01920	0.8
143.03539	3.4
149.04575	2.7
159.03001	3.5
161.04507	5.3
173.04626	0.7
191.05656	3.8
213.45680	0.5
233.06693	3.6
236.12506	0.6
244.03998	0.7
268.20297	0.6
283.26523	0.8
329.30530	4.2
491.36047	10.2
534.14136	0.6
539.23767	0.6
546.97894	0.6
623.40186	0.7
653.41260	5.4
785.45313	4.6
883.46021	0.8
917.49774	100.0
918.50549	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	917.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.4
71.01380	45.0
72.99322	1.5
73.02947	19.6
75.00880	1.6
81.03481	1.1
83.01391	8.2
85.02956	20.1
86.00114	1.8
87.00867	3.9
89.02440	31.3
95.01414	3.9
97.02938	5.7
99.00877	18.0
101.01782	1.5
101.02444	38.5
111.00897	3.7
113.02458	17.1
115.04009	3.7
119.03495	3.4
125.02443	6.9
129.01976	1.1
131.03529	5.7
141.01932	0.9
143.03487	1.8
149.04581	3.8
159.02959	3.0
161.04578	4.3
191.05609	3.5
210.76703	0.9
224.50917	0.8
233.06770	3.2
329.30655	4.4
373.12912	1.0
437.03467	0.9
491.36063	7.6
510.82095	0.9
653.41071	3.4
785.45673	4.3
917.49792	100.0
918.48157	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	917.44
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.0
69.03466	2.2
71.01380	66.1
71.71253	0.3
72.99304	2.6
73.02946	21.5
74.41693	0.5
75.00900	0.4
79.02330	0.4
79.11778	0.3
79.66671	0.4
81.03468	2.3
83.01385	10.2
83.05025	2.9
85.02951	32.8
87.00873	4.3
87.78643	0.4
89.02440	23.5
93.03465	2.7
95.01389	8.0
97.02959	3.9
99.00880	8.3
101.02437	58.5
109.03025	0.6
111.00890	3.0
111.04529	3.1
113.02452	31.6
117.74496	0.4
119.03503	9.4
121.02975	0.9
122.39381	0.5
125.02454	7.1
129.01950	0.7
131.03505	2.3
143.03506	4.2
159.03038	3.2
161.04565	18.2
179.05568	2.1
191.05629	0.6
221.06706	1.9
239.63225	0.6
245.06613	0.9
248.35754	0.5
263.07825	1.0
315.94147	0.5
323.09863	4.0
405.93079	0.4
438.09308	0.5
497.29086	7.3
515.30206	0.6
588.64423	0.5
629.72290	0.5
659.34399	9.4
795.38715	0.5
813.40076	0.9
821.39807	100.0
822.39868	2.8
839.41132	5.4
857.41901	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	917.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.2
71.01381	49.7
72.99290	0.9
73.02946	15.9
75.00859	0.7
81.03465	2.0
83.01383	7.7
83.05037	3.5
85.00056	0.5
85.02950	33.6
87.00878	2.7
89.02438	17.4
95.01388	3.7
97.02936	5.4
99.00890	5.7
99.01431	0.6
100.99844	0.5
101.02439	38.2
111.00893	2.5
111.04537	5.4
113.02441	20.4
119.03505	6.8
119.08710	0.9
120.18552	0.6
125.02452	6.9
143.03516	1.1
155.20210	0.7
158.74254	0.6
159.02974	2.0
161.04556	10.0
166.84630	0.6
188.10652	0.6
193.12332	0.7
221.06566	0.8
263.07648	0.8
316.39111	0.6
323.09750	0.8
327.24081	0.6
338.14044	0.8
371.21954	1.0
533.31519	6.0
533.38751	0.8
695.36829	10.2
784.50037	0.6
857.41827	100.0
858.41748	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	2.4
71.01379	89.9
72.01726	1.7
72.99321	5.5
73.02939	23.8
81.03476	2.6
83.01379	11.8
83.05031	2.3
85.02951	54.1
87.00873	8.7
87.70410	1.3
89.02439	37.7
89.02928	2.2
93.03490	5.0
95.01406	7.6
96.95992	2.6
97.02951	4.9
99.00899	12.7
99.04511	2.9
101.02441	68.3
108.76649	1.5
109.02977	2.2
111.00906	4.6
111.04575	2.0
113.02445	38.3
119.03516	15.1
125.02476	12.8
127.04013	44.1
131.03505	2.3
135.04507	2.5
137.02393	1.8
143.03528	7.2
145.05116	1.5
147.87329	1.2
159.02974	5.7
161.02475	2.3
161.04573	26.7
163.03911	1.4
173.04442	1.5
175.03947	1.5
179.03484	1.6
179.05632	6.5
191.05602	8.6
221.06732	5.1
286.06567	1.4
323.09912	7.5
373.23691	1.8
533.31281	10.3
536.76392	1.4
677.34180	1.6
695.36542	13.5
821.39001	1.6
838.39581	2.2
839.39966	18.1
857.41772	100.0
858.41791	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	915.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	2.8
70.41727	0.4
71.01382	54.2
72.99313	4.4
73.02943	26.4
75.00880	3.2
76.98022	0.5
81.03469	0.6
81.22925	0.5
83.01382	7.5
85.02955	18.3
86.00100	0.8
87.00881	6.4
89.02441	57.6
89.21448	0.5
95.01379	2.9
97.02953	6.6
99.00880	35.4
99.04521	1.0
101.02443	45.2
111.00857	3.5
113.02454	17.0
113.03249	0.7
115.04006	7.1
118.85513	0.5
119.03479	5.8
125.02438	7.3
127.04002	0.8
127.25697	0.5
129.01961	1.0
131.03494	8.3
143.03505	2.7
149.04565	5.9
159.03020	2.2
161.04524	4.4
161.85832	0.5
173.04391	0.6
191.05647	8.0
197.14900	0.5
201.83997	0.5
233.06682	3.5
246.94109	0.6
283.82965	0.5
292.30286	0.6
327.29260	2.1
427.34598	0.7
489.34586	5.3
621.38745	2.1
651.39685	0.6
783.44116	5.1
915.48218	100.0
916.48425	3.8
922.24835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00307	2.1
69.75343	1.3
71.01395	6.3
80.55942	1.4
85.02948	6.4
87.00877	2.1
89.02443	12.1
92.10854	1.8
93.03479	10.3
94.41009	1.5
96.96018	6.7
99.00891	3.1
101.02456	2.5
107.01392	3.7
121.02972	3.3
125.02412	1.5
133.02951	2.1
135.04535	6.8
137.02457	2.5
145.02983	3.3
149.04532	3.3
151.00398	43.6
160.01657	2.4
161.02435	6.6
163.03996	2.6
173.04527	6.9
175.00287	5.4
175.03966	1.8
178.02721	2.0
178.99876	9.4
179.03439	3.4
191.05638	44.8
199.04106	3.5
226.02818	2.5
227.03535	3.0
243.02959	9.0
255.03023	8.8
271.02539	68.5
299.02039	71.2
300.02774	41.9
301.03583	100.0
343.04767	2.0
353.08859	1.7
391.65103	1.7
439.10687	1.9
597.04016	2.1
609.12799	46.3
843.13654	1.9
917.23376	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	3.8
71.01383	53.6
72.99313	1.7
73.02947	20.8
76.31778	1.1
81.03468	3.5
81.05750	0.9
83.01388	6.8
83.05032	4.5
84.02194	1.0
85.02959	33.1
87.00877	6.1
89.02451	25.2
91.33586	0.9
92.61709	0.9
93.03445	2.2
95.01395	5.0
97.02957	18.4
99.00894	7.2
101.02449	49.3
105.01363	0.9
111.00883	1.4
111.04534	5.6
113.02464	24.1
114.10324	1.0
116.92879	5.1
119.03522	10.4
119.08701	2.0
125.02466	8.3
127.04013	1.1
129.01979	1.0
134.03746	1.1
135.04504	1.3
137.02539	1.4
143.03571	1.8
149.79129	0.9
159.03111	1.1
161.02457	1.4
161.04561	11.4
167.03471	1.0
173.04562	1.5
174.99556	1.0
179.05638	3.9
191.05614	5.4
192.99461	0.9
193.05161	1.3
221.06688	2.0
332.07755	0.9
345.20010	1.0
471.31165	4.6
489.31973	1.0
533.31299	22.8
618.91992	1.3
668.23474	1.0
695.36591	18.1
857.41895	100.0
858.41742	2.2
917.46960	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	915.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59724	0.6
66.39708	0.7
69.03477	5.7
69.72550	0.6
71.01388	69.3
71.94277	0.6
72.99335	3.3
73.02949	29.2
75.00874	2.7
79.47035	0.7
81.03467	2.4
83.01403	10.1
85.02964	26.6
85.03464	1.1
86.00079	0.8
87.00868	5.5
89.02453	46.8
92.71185	0.7
95.01398	4.8
97.02952	8.3
99.00886	28.7
99.04550	1.4
101.02450	53.2
102.06548	0.6
111.00892	5.7
113.02455	20.3
115.04023	7.3
119.03516	3.4
121.02943	1.1
125.02454	14.0
129.01923	1.4
131.03535	6.4
141.02005	1.2
143.03508	4.4
149.04588	3.9
159.03024	1.5
161.04575	5.7
161.06073	4.0
161.60721	0.7
172.75653	0.6
191.05675	4.1
233.06699	6.7
246.17934	0.8
250.54843	0.7
327.29022	5.5
397.63773	0.8
489.34512	6.8
521.76385	0.8
539.56824	0.8
621.38367	4.2
651.41650	0.9
783.44305	4.7
888.01849	0.9
915.48181	100.0
916.47705	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	915.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	0.4
68.99835	0.6
69.03454	3.2
71.01382	79.7
72.99312	3.2
73.02945	21.8
75.00855	0.6
81.03477	2.9
83.01389	10.9
83.05052	0.4
84.02168	0.8
85.02953	40.0
86.00077	0.3
87.00877	6.3
89.02445	32.7
90.36492	0.3
92.10831	0.9
92.36534	0.4
93.03452	9.3
96.96008	0.4
97.02951	6.1
99.00884	9.7
99.04533	5.8
101.02445	59.0
101.06101	0.4
104.85729	0.4
108.02182	0.4
109.02964	3.3
111.00882	2.2
111.04515	0.9
113.02454	31.2
113.06052	0.5
114.83218	0.4
119.03503	12.4
121.02946	8.1
121.06585	0.4
123.04532	2.7
125.02448	10.5
126.03200	0.8
127.04013	51.0
129.01926	0.5
131.03485	2.8
132.02153	0.4
134.03697	0.6
135.04497	1.5
139.04019	0.8
141.01938	0.8
141.05540	0.7
143.03528	5.6
144.04320	0.4
145.05048	1.6
149.06091	3.8
151.04115	0.5
159.02980	3.2
161.04568	17.9
168.18582	0.4
173.04582	1.7
179.03632	0.5
179.05614	5.5
191.05589	2.7
219.67059	0.4
221.06660	4.7
233.06625	0.5
245.06729	2.6
247.16937	0.4
249.18526	1.9
263.07770	2.7
275.09332	0.6
303.54547	0.4
323.09921	6.5
340.19821	0.4
371.22208	1.8
449.14615	3.0
472.18823	0.4
513.29218	0.9
531.29791	13.6
551.12207	0.4
599.81079	0.4
675.33746	0.4
693.35089	13.3
855.40344	100.0
856.40552	3.1
929.44684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.7148
Annotation	Unknow
Peak:m/z	Relative Intensity
105.23629	0.1
119.62688	0.1
120.30737	0.1
132.96465	0.1
202.85249	0.1
455.35416	100.0
456.35721	2.3
505.58725	0.2
893.62903	0.1
918.57849	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	913.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79266	0.9
69.03468	2.2
71.01386	99.1
72.99324	1.7
73.02946	23.5
75.00911	1.3
76.57615	0.9
81.03479	6.1
83.01403	12.2
83.05046	1.5
85.02454	1.5
85.02963	45.7
85.76672	0.9
87.00880	6.4
89.02452	47.0
93.03483	1.6
95.01401	7.0
96.96056	1.2
97.02976	7.7
99.00890	10.3
99.04525	6.1
101.02449	66.3
109.02973	5.3
111.00895	4.5
113.02460	36.5
119.03500	19.3
125.02424	10.8
127.04008	52.9
129.01898	1.3
131.03435	2.2
135.21770	1.0
137.02414	1.3
137.28346	1.1
141.01965	1.2
143.03497	5.8
145.05087	2.1
159.03024	2.4
161.02466	1.6
161.04590	21.2
161.05949	2.5
175.07658	2.6
179.05649	8.6
189.09523	1.1
191.05608	4.3
221.06621	6.0
245.06743	1.9
263.07654	4.3
323.09842	7.5
351.19580	1.9
459.57574	1.4
510.49277	1.2
529.28033	12.0
691.33569	25.9
835.37732	4.6
853.38745	100.0
854.38843	1.4
857.33295	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	915.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97494	1.3
71.01386	29.5
73.02946	11.1
81.03511	1.3
83.01421	2.2
85.02956	13.4
87.00912	5.8
89.02448	33.0
89.03977	1.7
93.03481	2.5
95.01403	1.7
96.96024	4.8
97.02993	1.5
99.00877	11.3
101.02447	23.0
104.60744	1.0
109.03005	1.6
111.00855	1.5
113.02449	11.6
117.03497	6.2
119.03520	4.9
125.02472	9.9
127.04019	8.0
127.20155	1.3
129.01863	1.4
131.03517	5.8
132.02202	23.6
133.02974	2.6
134.03745	100.0
135.04526	7.9
137.02429	1.4
142.84386	1.3
143.03532	6.0
149.04594	8.7
149.06082	12.3
160.01675	97.0
161.02510	10.0
161.04550	6.9
162.03148	1.4
166.02666	1.4
173.04637	2.4
175.04018	87.9
177.01967	1.8
177.16005	1.2
178.02698	10.1
179.03496	2.0
181.04942	1.7
181.23465	1.1
191.05632	20.2
193.05087	58.2
219.86494	1.2
221.06679	1.6
271.02576	2.3
299.02029	2.5
415.16324	4.9
493.88904	1.5
592.32953	1.3
693.35687	2.6
721.26038	1.6
735.24774	1.5
819.36963	2.6
837.39478	10.3
915.31488	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.3
68.99825	0.4
69.03461	0.7
71.01379	10.8
72.99302	4.0
73.02934	1.4
75.00868	10.9
81.03457	0.1
83.01406	0.7
84.02167	0.2
85.02954	16.6
86.73746	0.2
87.00871	5.4
89.02439	5.9
93.03457	0.6
95.01384	4.1
99.00877	7.8
101.02455	1.4
103.00371	2.3
111.00881	0.8
113.02452	18.5
115.00356	1.2
115.07607	0.1
116.55572	0.2
117.01951	2.3
119.03497	0.7
121.02952	74.3
122.03309	0.3
129.01935	1.2
131.03508	0.7
139.04004	0.2
157.01419	0.4
169.04959	0.3
175.02486	1.6
179.05583	0.7
189.04170	0.2
189.09891	0.2
191.05617	0.8
191.07214	0.6
193.03529	0.7
209.02991	0.2
231.05103	2.4
249.06171	14.6
311.07712	0.3
353.08884	0.6
371.09860	100.0
372.10281	0.7
440.72989	0.2
537.25946	0.2
655.98517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17492	3.2
71.01381	61.3
71.71683	3.1
72.12479	2.7
72.99319	4.3
73.02940	25.3
83.01413	4.7
85.02982	12.5
89.02442	94.6
99.00888	55.3
101.02464	37.3
101.06594	3.1
113.02467	14.5
119.03506	4.4
125.02386	2.8
131.03517	11.9
149.04576	7.3
152.90260	2.7
170.35455	3.6
191.05644	15.1
300.88080	2.7
376.31665	3.5
497.80569	3.4
592.12567	3.7
794.04382	3.7
911.45160	100.0
912.46149	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	911.7146
Annotation	Unknow
Peak:m/z	Relative Intensity
92.07769	0.1
96.76385	0.1
117.59722	0.1
141.21626	0.1
158.24318	0.1
191.38969	0.1
231.23453	0.1
265.36871	0.1
314.24124	0.1
314.59158	0.1
352.88052	0.1
407.33313	1.1
455.35400	100.0
456.35727	2.6
502.34314	0.1
590.09607	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	907.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51934	0.3
70.05386	0.3
75.37746	0.3
82.03179	0.4
99.92589	6.9
114.93420	0.8
116.92867	100.0
116.97237	0.8
117.92885	0.6
150.51088	0.4
226.59724	0.4
465.01620	0.4
772.12622	0.4
825.68384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	4.5
71.01373	59.8
72.99314	3.8
73.02964	16.4
81.03490	3.3
83.01411	2.6
85.02969	12.2
87.00896	5.1
89.02450	74.9
93.03481	4.6
96.96024	6.2
97.02966	11.4
98.29631	2.4
99.00905	13.5
101.02468	16.4
113.02470	14.5
115.04048	10.6
121.02915	3.7
122.03783	10.0
125.02435	43.1
131.03502	3.7
133.02969	4.5
134.03738	10.4
135.04459	3.4
136.01601	2.8
137.02454	6.0
147.04630	2.8
149.02428	20.7
149.04546	12.0
150.03227	100.0
150.04347	5.2
151.00383	13.5
161.02509	5.8
161.04486	2.7
165.05568	94.0
166.02718	25.7
175.04065	3.8
177.01956	16.6
180.04295	6.6
181.05048	22.9
185.26843	2.8
191.05673	21.0
195.06653	44.5
233.06709	30.3
246.22375	2.8
293.08823	60.4
356.43350	2.6
417.15515	14.3
517.54169	3.0
613.23016	19.2
724.29980	3.2
847.46814	3.1
907.34625	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	907.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	7.7
71.01386	72.0
72.99329	2.6
73.02942	12.1
77.87237	1.5
81.03497	3.3
83.01418	6.4
85.02971	12.8
86.88107	1.3
87.00896	2.7
88.98801	1.5
89.02453	72.9
93.03477	6.7
95.01391	2.0
96.96020	5.5
97.02963	13.5
99.00909	16.2
99.04523	2.0
101.02449	19.8
109.03008	5.7
111.00876	1.9
113.02457	9.5
115.03997	9.3
119.03490	2.4
121.02957	6.3
122.03718	11.9
122.47227	1.4
123.00902	2.2
125.02451	43.4
129.09232	1.6
131.03505	7.8
133.02919	4.0
134.03772	3.1
135.04539	5.8
136.01628	2.2
137.02470	16.6
139.00342	1.8
140.81285	1.3
143.03592	2.8
149.02461	26.0
149.04541	9.7
149.05983	1.3
150.03244	100.0
151.00359	11.4
151.04012	5.6
152.01180	2.6
152.04793	2.5
160.88049	1.3
161.02486	1.6
161.04576	1.8
162.03238	2.2
164.04776	5.1
165.01994	1.6
165.05577	90.3
166.02725	43.9
167.03452	1.9
173.04587	4.9
175.04037	2.3
177.01956	2.9
177.05577	5.1
178.02786	1.6
179.03400	4.6
180.04231	7.1
181.05078	46.7
184.03813	1.7
187.04025	5.3
189.05466	1.6
191.05617	18.9
193.05092	1.8
195.06674	27.2
204.04414	1.3
205.05089	10.4
220.07373	5.2
221.08105	2.0
233.06697	31.6
259.18863	1.4
293.08847	74.4
309.07849	1.7
335.77029	1.4
372.12311	2.1
379.16241	2.4
387.10727	6.8
387.14838	5.4
402.13190	6.9
417.15637	33.1
418.15912	1.6
565.20966	39.1
595.22284	1.5
613.23022	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	9.1
71.01392	80.2
72.55048	1.1
72.99324	4.6
73.02951	14.5
74.87236	0.9
75.00895	2.5
81.03484	1.8
83.01402	7.3
85.02978	13.3
87.00887	5.5
89.02457	99.7
93.03470	5.2
95.01387	2.6
97.02968	15.9
99.00894	17.6
99.04520	1.5
101.02454	34.1
102.49499	1.0
102.50341	1.0
109.02962	5.2
110.81425	1.0
111.00871	2.4
113.02473	15.8
115.04025	9.5
119.03525	11.3
119.05078	1.6
121.02947	4.4
122.03741	14.7
123.00932	1.5
125.02458	46.8
127.04073	1.3
131.03513	9.8
133.02899	1.8
135.04594	3.3
136.01671	2.1
137.02461	19.6
143.03476	6.7
145.03032	1.5
147.04552	1.6
149.02475	27.9
149.04555	12.6
150.03250	100.0
151.00372	10.0
151.03986	7.2
152.04810	5.1
161.02469	1.4
161.04538	10.4
161.05783	1.2
162.03236	1.5
163.04036	1.5
164.04790	7.7
165.05588	98.1
166.02733	42.9
167.03474	2.5
173.04587	6.2
175.04056	1.9
177.01939	4.5
177.05571	1.2
178.02745	1.1
179.03433	2.1
179.05640	22.6
180.04399	7.6
181.05103	49.7
184.03757	1.3
187.04030	4.3
190.06380	1.4
190.33739	1.0
190.94081	1.0
191.04021	1.5
191.05627	13.2
192.04344	1.2
193.05106	2.4
195.05002	1.7
195.06662	32.1
205.05048	9.8
205.08850	1.3
220.07469	9.7
221.06682	7.0
221.85020	1.0
233.06674	33.8
264.07690	1.2
283.78333	1.1
293.08829	72.0
315.08768	1.7
329.10330	1.7
339.08801	1.3
359.11276	1.3
387.10397	8.0
387.14905	6.3
402.13336	8.1
416.14868	1.5
417.15634	31.6
489.16043	1.8
511.58984	1.5
535.16699	2.3
550.18878	2.1
565.20868	33.8
571.46350	1.3
595.22345	3.7
613.23029	49.0
614.23138	1.4
799.91980	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	905.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80983	0.7
69.03461	0.9
71.01389	26.1
73.02944	11.5
81.03452	1.3
83.01406	4.9
83.05012	0.9
85.02947	11.0
89.02469	9.4
92.10910	1.3
95.01389	0.9
97.02986	3.6
99.00887	7.9
101.02457	18.9
113.02460	9.0
115.04019	1.9
121.14668	1.0
125.02484	3.9
131.03549	1.5
135.04416	1.0
157.23004	1.0
159.02997	1.6
161.04553	3.9
177.01498	0.9
233.06668	1.0
244.84830	0.9
269.07108	1.0
430.23538	1.0
497.29178	5.0
659.34607	1.2
791.38873	65.4
792.39203	1.7
809.39856	1.1
865.18738	1.0
905.39624	100.0
906.39673	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	905.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	17.9
73.02946	6.1
76.57449	1.3
83.01428	2.5
83.05076	1.3
85.02969	8.1
89.02450	9.5
92.10792	1.2
95.01391	2.0
99.00911	5.9
101.02462	12.8
102.31351	1.2
111.01012	1.5
113.02454	8.6
125.02441	2.7
141.92325	1.3
161.02374	1.4
161.04636	2.2
191.05722	3.1
211.66486	1.6
293.08813	2.5
497.29288	6.7
509.68289	1.5
519.94855	1.6
772.21027	1.8
791.38684	52.1
905.39624	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	905.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12052	0.3
65.37724	0.3
67.01911	0.7
68.99812	0.6
69.03455	0.8
71.01380	19.5
72.99305	3.9
73.02966	1.8
73.90478	0.3
74.92646	0.3
75.00867	14.8
81.03486	0.5
83.01416	0.7
85.02947	26.0
87.00869	9.5
89.02441	7.3
89.02947	0.5
91.03982	0.6
91.05524	18.6
92.10184	0.4
92.65334	0.3
93.03458	0.8
95.01384	6.7
97.02959	0.3
99.00877	9.8
101.02453	0.7
103.00366	2.6
109.02953	0.4
111.00893	0.8
112.01660	0.5
113.02451	32.4
115.00384	2.6
117.01951	3.7
117.03447	3.3
120.62628	0.3
121.02943	3.2
129.01938	2.3
131.03499	0.6
135.04529	9.6
149.04631	0.5
157.01472	0.6
175.02478	2.4
175.45349	0.3
177.99043	0.3
189.04088	0.4
191.05638	1.6
202.23477	0.4
205.07159	1.3
207.05119	1.9
223.08203	0.6
231.05093	2.3
249.06177	30.8
267.07233	66.7
333.77237	0.3
343.48889	0.4
363.13156	1.3
385.11450	100.0
386.11746	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	903.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	3.8
71.01384	41.5
72.99310	2.5
73.02950	11.4
78.91208	0.4
81.03460	0.9
83.01392	5.5
83.05035	0.5
85.02959	18.7
86.00088	0.5
87.00883	4.6
87.04505	0.7
89.02445	32.1
89.22716	0.4
93.03465	0.7
95.01403	3.0
96.96021	2.1
97.02935	4.2
99.00887	5.1
101.02447	39.1
111.00862	3.2
111.04465	0.5
113.02459	18.6
114.38827	0.5
115.04007	0.6
119.03502	12.1
124.66245	0.4
125.02449	8.0
129.69830	0.4
131.03528	3.5
133.02895	0.4
137.02457	0.5
141.01939	1.1
143.03513	6.5
145.05035	0.5
145.26392	0.4
149.04553	0.6
159.02971	0.9
161.04564	12.3
161.18282	0.5
173.04488	0.7
179.05667	6.7
191.05597	2.0
203.05542	0.6
221.06705	4.7
245.06671	3.6
263.07715	2.5
323.09808	1.0
373.23907	9.5
488.23248	0.5
519.29614	6.2
571.20398	0.9
681.35046	6.9
839.55707	0.6
843.40314	100.0
844.40692	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	902.404
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96297	7.6
65.36768	7.9
69.03474	12.9
71.01398	76.9
83.01398	11.2
85.02966	9.4
97.02938	49.7
101.02457	54.9
108.02174	11.9
113.02492	20.7
123.04571	78.0
124.04895	9.5
124.69997	9.6
125.02458	100.0
126.02792	12.6
166.61255	11.2
191.05629	12.2
213.27063	9.7
356.36755	14.9
404.11389	10.2
430.17493	9.8
714.38562	13.6
715.37653	19.3
716.38147	38.4
717.35968	36.6
718.35931	18.2
842.41901	14.1
939.22803	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	903.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80554	0.7
69.03452	1.0
69.67168	0.9
71.01393	57.5
71.83642	0.8
72.99334	1.8
73.02956	16.8
81.03474	4.0
83.01403	10.4
83.05064	1.7
83.05872	0.9
84.02190	0.9
85.02969	36.2
87.00908	1.7
89.02459	20.0
91.24564	0.8
93.03474	1.3
95.01401	6.0
97.02969	3.5
97.93381	0.9
99.00885	7.0
101.02453	38.3
104.43222	0.9
111.00876	1.9
111.04548	5.4
113.02470	21.8
114.38719	0.9
119.03529	7.7
125.02445	7.6
129.01871	1.0
131.03523	1.1
135.04507	1.7
143.03529	1.9
145.05135	1.1
159.03053	1.4
161.04602	12.0
177.01891	1.4
179.03459	1.0
191.05623	1.6
193.12335	1.0
245.06757	1.6
323.09995	1.0
345.24237	1.0
392.99298	1.0
533.31287	5.7
695.36664	9.3
843.43756	2.0
857.41876	100.0
858.41803	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	902.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24330	1.2
71.01389	82.6
72.01749	8.4
73.01839	1.8
73.02958	21.1
73.03302	1.4
83.01424	8.2
83.05053	1.7
85.02966	41.1
85.03458	1.8
86.03317	6.9
87.00924	2.4
89.02450	32.2
90.02782	2.3
93.08282	1.4
95.01410	6.2
97.02994	2.4
99.00894	11.4
101.02452	60.9
101.03093	2.5
102.02806	9.5
103.02879	2.2
111.00961	2.2
113.02456	33.8
114.02824	6.1
115.02931	1.6
119.03514	9.2
125.02460	6.2
126.42682	1.4
143.03479	2.6
159.03001	2.7
161.04524	19.6
162.04919	3.1
163.05090	2.0
179.05614	1.4
214.93777	1.4
324.10242	1.6
411.44196	1.5
427.67719	1.5
464.54700	1.6
497.29742	2.1
498.29648	6.3
499.29739	5.5
500.30673	2.2
659.33392	1.6
660.34637	6.9
661.35272	6.1
662.34991	6.9
822.40363	11.4
823.40259	53.4
824.40619	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	902.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.0
69.18626	1.7
71.01380	96.0
72.01729	11.4
72.99323	2.6
73.01807	3.2
73.02937	22.3
73.03286	1.7
74.02145	2.0
78.02427	1.8
81.03455	2.3
83.01411	11.2
83.05035	8.1
85.02947	46.5
86.03309	7.7
89.02437	32.1
90.02791	3.2
90.82152	1.9
90.95621	1.9
93.30489	2.1
95.01378	4.9
97.02945	3.5
99.00886	9.7
101.02441	66.6
102.02803	12.7
103.02851	2.4
105.70575	1.9
105.81715	2.0
111.04523	3.7
113.02466	32.6
114.02780	3.8
115.02811	2.0
119.03506	8.1
125.02423	6.7
143.03549	2.9
161.04614	17.0
162.04901	3.2
213.39301	2.6
231.21719	1.9
433.04245	2.1
516.31055	3.7
517.30914	8.8
523.01086	2.5
678.35919	6.9
679.36505	14.7
680.36401	11.6
750.65167	2.2
840.40631	7.7
841.41516	50.7
842.41644	100.0
904.38190	2.5
928.07520	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	902.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.8
71.01381	100.0
72.01714	12.2
72.99293	1.5
73.01811	5.8
73.02941	28.7
74.03273	5.5
75.00897	1.4
75.23618	1.4
75.43192	1.2
81.03471	3.2
83.01381	17.2
83.05050	6.5
84.01722	1.8
84.02168	1.9
85.02946	50.6
86.03284	9.9
87.00887	5.6
89.02446	28.0
90.02815	1.7
92.10122	5.7
93.03463	10.3
94.03808	3.0
95.01393	7.5
95.05046	2.2
97.02950	9.2
99.00897	9.3
100.01215	1.6
101.02438	75.5
101.03091	2.7
102.02792	13.1
103.02899	3.3
111.00896	3.0
111.04532	5.7
113.02441	36.8
113.03148	2.0
114.02826	7.0
115.02870	2.6
119.03519	12.1
121.02960	8.5
122.03297	1.8
123.04509	2.7
125.02441	7.5
139.04037	1.5
143.03534	5.9
149.06096	3.3
159.02980	2.9
161.04610	20.2
162.04872	3.1
172.08510	1.5
179.05699	2.3
220.63933	1.5
221.06705	2.3
280.89456	1.6
323.09787	2.3
325.10483	1.9
370.84677	1.5
449.27063	1.4
515.30322	2.4
516.30542	6.2
517.30725	7.3
518.30933	5.4
678.36255	5.3
679.35797	10.1
680.36487	6.2
840.41815	11.6
841.41425	53.2
842.41699	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	74.5
72.99307	3.4
73.02937	22.6
75.00888	1.9
77.28445	1.9
83.01400	13.5
83.05049	2.7
85.02942	43.0
87.00919	3.5
89.02433	26.4
93.03468	3.3
95.01407	4.7
96.96000	22.1
97.02917	5.0
99.00861	8.9
101.02441	62.3
109.27782	2.2
111.61125	2.4
113.02463	36.7
119.03481	10.9
125.02439	12.6
129.01892	2.2
136.01617	2.8
143.03568	2.8
150.03204	2.4
161.04578	20.6
191.05612	15.3
268.36118	2.3
517.31897	18.6
590.01733	2.5
596.24402	2.5
654.55707	2.3
679.36652	19.4
701.28973	3.2
841.42432	100.0
842.42969	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	900.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	100.0
71.01768	3.4
72.01729	8.2
72.99339	2.9
73.02946	27.6
74.03334	2.1
75.03396	2.3
83.01392	14.1
83.05052	2.9
83.94605	2.1
85.02962	52.5
85.03452	2.2
86.03305	8.1
87.00896	3.8
89.02444	23.3
95.01396	5.0
97.02980	4.6
99.00898	11.1
101.02441	74.2
102.02789	12.0
109.02925	2.6
111.00874	2.5
111.04533	3.6
113.02454	40.1
114.02795	4.8
119.03503	10.6
121.11688	2.2
125.02463	11.4
135.04533	3.4
143.03542	3.4
159.03064	3.2
161.04611	21.2
161.05780	3.3
162.04901	3.8
163.05223	2.1
168.24133	2.0
179.05673	3.2
191.05688	8.1
202.08244	2.2
263.07855	4.0
309.43311	2.0
323.09863	2.8
515.29681	3.2
516.30585	2.7
577.91742	2.5
676.34113	3.1
677.34845	13.5
678.35229	13.4
838.38348	2.6
839.40039	46.8
840.40253	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90683	0.7
69.03448	1.2
69.44746	0.6
77.55259	0.6
78.42403	0.7
83.05054	1.5
85.02979	1.6
97.02950	27.6
98.75521	0.8
106.64262	0.7
111.08161	1.6
119.08685	1.8
125.09751	1.1
134.14427	0.8
137.09717	14.8
151.04074	2.9
151.07639	4.9
152.08414	4.2
153.09198	1.1
171.10274	24.9
177.12828	1.0
185.11830	1.5
193.12283	1.0
195.13904	1.0
209.15526	5.8
211.13373	1.2
221.11795	3.9
239.12888	3.8
252.10141	1.4
265.18063	1.1
273.18613	1.8
291.19681	11.5
309.17212	9.6
309.20731	100.0
340.45685	0.9
471.67996	0.9
492.32889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	3.3
71.01398	11.8
83.49008	2.3
83.60470	3.0
85.02972	3.1
89.02448	18.0
101.02455	11.6
110.96255	3.1
113.02425	5.1
142.10678	3.0
143.60651	3.1
151.94238	3.0
158.23546	3.0
197.11874	99.3
203.41634	3.5
221.06543	3.5
241.10878	4.2
277.21674	28.7
381.30695	4.1
473.43964	3.4
580.94366	3.8
800.47113	3.7
899.46613	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	899.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41314	1.5
67.01884	1.7
68.19193	1.5
69.03476	2.0
71.01384	66.3
73.02950	23.1
83.01413	12.0
83.05026	3.1
85.02940	35.7
87.00883	2.7
89.02442	25.7
95.01392	3.4
97.02927	3.2
99.00881	8.5
101.02445	61.6
111.04582	2.2
113.02457	33.5
119.03503	9.4
125.02446	9.4
142.72665	2.0
143.03525	6.9
159.03009	3.6
161.04510	15.9
179.05533	2.8
191.05602	3.7
220.99666	1.9
312.82074	1.8
515.30475	13.2
677.35455	25.2
839.40820	100.0
840.40686	2.5
901.50391	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	899.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25266	0.6
67.60519	0.6
67.96505	0.7
69.03465	22.7
69.03811	1.2
71.01390	48.6
72.99326	1.8
73.02953	16.1
73.03302	1.0
75.00887	0.6
79.05562	3.8
80.02677	1.3
80.11069	0.7
81.03465	8.4
83.01401	13.5
83.05072	1.2
85.02970	25.6
85.03461	1.2
87.00906	1.7
89.02451	14.9
92.10783	1.0
93.03454	1.5
95.01405	5.2
95.05038	17.8
95.05601	0.9
97.02959	36.7
99.00877	6.1
101.02451	39.9
108.02186	21.1
108.02900	1.0
111.00943	1.5
111.04514	0.9
112.75552	0.8
113.02458	21.0
119.03516	4.6
123.03591	1.6
123.04529	76.7
125.02448	100.0
132.07932	0.8
143.03528	1.7
159.03012	2.9
161.04547	15.1
197.47678	0.8
212.28712	0.8
263.07742	1.5
277.70923	0.9
323.09912	5.0
397.51004	0.8
423.78540	0.8
551.32599	1.7
553.30450	1.2
713.37726	47.6
715.35583	53.7
716.36957	1.3
795.41370	1.0
839.41003	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33578	0.6
66.75387	0.6
69.03471	1.3
69.40057	0.6
71.01384	56.7
72.99321	2.4
73.02950	20.7
73.03361	0.8
75.00892	0.8
81.03481	3.2
83.01393	10.9
83.05022	5.6
85.02954	35.2
87.00899	3.8
87.04530	0.5
89.02447	21.3
92.10873	1.3
95.01393	5.0
97.02980	3.9
99.00890	8.2
101.02446	46.1
111.00911	2.4
111.04536	5.5
113.02459	29.5
114.19146	0.6
119.03509	8.0
123.52670	0.6
125.02460	7.2
129.01974	0.8
131.03537	1.3
143.03494	4.7
149.36575	0.7
159.03011	3.8
161.04568	17.3
179.05641	2.1
218.22191	0.6
221.06656	2.8
245.06693	1.4
259.52420	0.7
263.07748	2.8
323.09924	5.1
327.23505	0.6
371.22495	1.0
515.30139	9.7
587.96240	0.7
617.78741	0.7
677.35657	17.3
839.40820	100.0
840.41028	2.6
925.13135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58533	0.3
68.52811	0.4
69.03472	2.4
71.01385	61.1
72.99323	2.7
73.02950	19.3
73.03356	0.7
75.00890	1.6
81.03484	1.7
83.01397	11.1
83.05041	2.3
84.02171	0.5
85.02959	27.6
87.00866	3.3
89.02450	19.4
89.03002	0.5
89.76254	0.4
93.03477	2.1
95.01406	5.1
96.96036	2.3
97.02948	3.8
99.00879	7.8
101.02448	49.5
111.00904	1.9
111.04542	2.3
113.02460	23.3
115.95316	0.4
119.03518	6.6
119.05006	0.7
124.87318	0.4
125.02437	6.6
129.01965	0.6
131.03482	1.5
135.04507	1.4
137.02409	0.6
141.01942	0.9
143.03529	4.9
146.60585	0.4
155.03526	0.6
156.39546	0.5
159.03027	3.8
160.01768	0.5
161.04587	17.6
173.04608	0.7
176.87466	0.4
179.05608	2.1
191.05666	2.1
221.06694	1.8
225.09441	0.6
233.06688	0.6
245.06735	0.9
263.07822	1.0
323.09854	4.3
353.21237	1.9
396.75790	0.5
465.26703	1.9
472.94498	0.5
497.29163	5.2
540.45148	0.4
656.16412	0.5
659.34668	10.3
821.39832	100.0
822.39801	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	899.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44136	1.9
63.24868	1.9
69.03456	5.0
71.01382	55.3
72.99290	3.3
73.02942	22.6
83.01392	12.2
85.02952	28.9
89.02461	12.1
97.02966	13.8
99.00855	5.2
101.02427	39.1
113.02464	26.4
119.03527	3.4
123.04522	4.6
125.02445	40.2
125.87444	2.5
143.03514	4.2
146.76077	2.8
155.95511	2.7
161.04558	11.2
170.99297	2.9
174.31071	2.2
178.06282	8.9
183.35333	2.7
191.05690	3.3
203.54144	2.4
212.98419	2.5
226.01555	2.4
323.10092	2.8
326.33002	2.3
404.33301	2.8
423.28751	2.7
469.74002	2.6
677.35919	10.2
713.37848	3.2
715.36328	4.1
735.70337	2.8
839.40942	100.0
900.45984	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	899.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99847	1.1
69.03490	2.2
71.01391	58.6
72.99321	1.6
73.02955	20.3
73.03292	1.1
81.03493	1.5
83.01399	7.8
83.05070	5.2
84.42672	0.8
85.02460	1.5
85.02968	31.8
87.00896	2.0
89.02454	19.0
91.44109	0.9
93.03501	6.5
95.01429	5.3
95.36649	1.0
97.02982	5.1
99.00890	7.5
101.02450	47.6
111.00867	1.1
111.04561	3.9
113.02453	23.9
119.03507	8.8
121.02962	8.4
125.02470	7.1
131.03520	1.5
143.03554	3.8
149.06149	1.4
151.33029	1.0
159.03009	3.9
161.04573	17.0
179.05563	1.2
221.06740	2.1
221.15349	1.1
229.70099	1.0
262.13388	1.3
263.07874	1.4
323.09848	4.5
431.91010	1.2
497.29279	1.3
515.30212	14.6
677.35687	15.5
839.40826	100.0
840.41284	1.7
876.27069	1.1
911.78796	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	899.43
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	1.2
68.65676	0.2
68.99819	0.2
69.03453	2.9
71.01382	59.9
72.99313	2.3
73.02945	16.5
75.00877	1.1
76.17592	0.3
81.03445	1.6
83.01385	8.3
83.05038	2.2
84.02166	0.3
85.02953	29.4
87.00877	3.9
89.02444	21.3
93.03454	0.3
95.01374	5.7
97.02943	4.1
99.00878	7.2
99.04528	0.3
101.02442	47.8
103.13321	0.3
111.00891	1.9
111.04537	1.8
113.02457	27.6
115.04057	0.3
119.03500	7.4
121.02932	0.3
125.02454	5.9
129.01949	1.3
131.03477	1.4
141.01927	1.1
143.03522	3.5
145.05127	0.3
149.04646	0.4
155.03557	0.4
157.58505	0.2
159.02992	4.3
161.04565	18.4
179.05609	2.2
203.05606	0.4
221.06639	1.7
225.09271	1.0
233.06609	0.4
245.06732	1.2
263.07761	1.6
278.70288	0.2
323.09875	4.3
337.18170	0.4
353.21414	1.1
465.26544	0.3
497.29181	11.4
659.34552	13.3
772.78198	0.3
821.39838	100.0
822.40143	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	899.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84168	1.3
69.03465	6.0
71.01382	71.7
72.99313	3.1
73.02933	19.9
81.03465	1.4
83.01385	12.4
83.05038	7.3
84.02200	1.5
85.02950	33.0
87.00887	6.7
88.98820	1.5
89.02440	27.4
93.03456	8.3
95.01395	6.1
96.96004	1.7
97.02956	5.7
99.00887	10.1
101.02442	55.5
111.00895	2.2
111.04513	2.0
113.02452	31.8
119.03493	7.7
119.05012	2.1
121.02950	3.2
123.04461	2.2
125.02437	7.9
135.04526	1.5
139.99704	1.2
143.03470	5.0
144.05133	1.4
161.04559	17.5
179.05688	1.9
191.05556	3.3
209.11887	5.9
232.82376	1.2
271.06052	1.9
291.36609	1.6
348.54510	1.4
515.29999	16.5
677.35315	17.5
821.39825	2.8
839.40729	100.0
840.41626	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	899.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44388	1.2
66.36781	1.1
67.01891	12.3
69.03466	4.4
69.49557	1.0
71.01379	13.0
73.02926	1.2
75.00865	1.5
81.03481	1.7
83.05021	1.8
85.02943	9.5
87.00869	18.0
89.02428	9.4
92.10881	1.0
93.03452	100.0
94.01792	1.1
96.96027	2.7
99.00904	2.0
101.02451	6.5
105.30518	1.0
109.02966	1.3
111.04531	15.5
113.02483	5.4
117.07976	1.1
119.03529	1.4
121.02944	1.8
125.02493	1.2
129.01976	1.5
133.02954	10.1
134.03709	1.3
135.04526	8.2
137.02377	1.8
151.04028	1.2
155.03505	1.9
173.04555	40.4
177.01941	5.0
179.03523	2.1
191.05652	28.1
192.05907	1.1
229.01442	1.7
237.05618	2.4
242.88736	1.1
253.04987	1.6
265.05087	2.1
265.65546	1.1
281.04800	2.1
309.04211	4.2
311.09341	8.7
325.03616	5.4
351.07147	6.8
353.02798	1.5
355.08246	1.7
363.12885	2.2
365.18155	1.4
368.05450	2.3
383.07755	16.7
405.75858	1.2
503.92938	1.3
557.13080	62.4
737.19714	1.9
808.17340	1.3
899.24139	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	899.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01905	2.5
69.03459	0.8
71.01381	7.7
72.99249	0.5
73.02940	1.8
75.63551	0.5
81.03450	0.9
83.01389	0.5
83.05054	0.9
85.02953	20.2
87.00877	8.8
89.02439	8.5
93.03454	27.0
96.07960	0.5
96.96011	3.2
99.00887	0.6
99.04528	1.0
101.02425	3.5
109.02982	2.1
111.04521	6.0
113.02451	3.0
119.03525	1.1
121.03033	0.5
127.03993	3.5
135.04517	0.7
137.02454	0.7
138.03404	0.5
138.24898	0.5
149.02426	0.7
150.03358	0.5
155.03522	1.1
160.01588	0.5
165.99583	0.5
171.02986	0.5
173.04570	9.8
181.06773	0.5
185.02470	0.6
191.05637	100.0
192.05972	0.7
209.06140	2.0
213.37421	0.5
224.04724	0.6
225.05617	0.9
227.07005	0.5
235.04071	3.3
237.05627	1.9
238.06377	0.5
239.03490	0.6
251.03563	1.2
251.07443	0.7
253.05144	6.8
254.05775	1.0
263.03491	3.0
265.05060	2.0
267.03491	0.6
267.06638	3.0
268.07431	1.1
271.06061	0.6
278.05823	0.6
279.02997	4.3
281.04568	8.1
284.06717	0.9
287.05637	0.7
291.03091	2.2
292.03665	0.9
293.04825	0.7
295.06158	5.7
296.06931	7.3
297.04095	0.8
299.01962	0.9
305.04660	0.8
307.02600	5.4
307.05511	0.7
308.03384	1.0
309.04160	10.6
310.04855	3.0
311.05896	0.6
311.09280	1.9
312.06595	1.9
313.11108	0.6
321.15591	2.0
322.04831	0.9
323.05667	11.3
324.06400	11.1
325.03659	0.7
325.07297	0.9
335.01974	5.0
337.07318	2.3
339.05081	1.0
339.08777	9.1
350.04349	7.5
354.03949	2.8
355.04688	0.7
363.07663	2.5
363.16779	1.2
365.06714	23.3
368.05417	14.2
369.06235	10.0
379.16159	0.7
383.07803	60.4
384.08197	1.1
425.08932	5.6
437.08215	0.6
527.12250	2.7
555.14716	0.6
557.13129	48.1
558.13275	0.6
677.17023	0.6
707.18433	30.0
737.19183	6.8
899.24573	16.9
931.87616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.9
71.01387	7.1
71.20054	0.6
73.02964	1.3
79.97842	0.6
83.01362	0.7
85.02946	18.9
87.00880	4.1
89.02445	4.8
92.10137	3.5
93.03448	10.6
96.61755	0.7
96.96027	1.5
99.00821	0.8
101.02458	5.0
109.02962	3.0
111.04522	3.7
113.02448	1.7
124.64452	0.7
126.86050	0.7
127.04012	3.8
134.03741	0.8
137.02419	1.1
149.02477	1.3
150.03148	0.9
153.97021	0.8
155.03496	1.0
156.86856	0.7
159.04491	3.8
160.59135	0.8
166.05850	0.8
173.04579	5.8
173.95738	0.7
175.03926	2.9
181.05136	0.8
191.05632	100.0
203.03491	1.0
209.06064	0.8
223.65675	0.7
231.51160	0.7
251.03612	1.0
251.07173	0.9
252.04211	1.4
253.05099	3.7
263.03476	4.2
265.05072	1.2
267.06668	3.5
268.07501	1.1
277.04947	0.9
278.06055	0.8
279.02942	0.9
280.03751	1.5
281.04568	10.2
291.02991	2.9
292.03650	1.1
295.06018	6.5
296.06955	10.0
297.03992	1.1
297.07407	0.9
303.73737	0.8
306.05356	3.4
307.05945	1.0
308.03418	5.8
309.04044	7.4
309.07172	0.8
311.09366	4.2
312.06186	0.9
313.10846	1.2
323.05655	15.4
324.06360	10.0
325.03381	1.1
338.07904	6.7
339.04932	1.5
339.08749	16.3
350.04471	1.5
353.03125	0.9
355.08380	0.9
365.06750	6.0
368.05450	10.8
372.15762	0.9
382.26730	0.8
383.07803	49.4
384.08160	0.8
409.20660	1.7
425.08820	3.5
485.10336	1.2
545.12903	1.2
557.13104	18.1
707.18475	28.6
725.19861	1.0
737.19141	1.2
899.25214	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	899.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	0.4
69.03465	0.3
71.01373	4.3
73.02940	1.6
76.39278	0.3
81.03467	0.6
83.05053	0.3
84.97016	0.3
85.02947	15.7
87.00877	3.9
89.02446	2.8
92.10695	0.5
93.03452	6.2
96.96023	0.4
99.00855	0.4
99.04527	0.6
101.02427	1.3
108.02190	0.4
108.95492	0.3
109.02962	1.7
111.04518	2.2
113.02457	0.5
119.05070	0.4
121.02957	0.7
127.04020	3.6
128.00775	0.3
133.02988	0.3
134.03741	3.6
137.02490	0.6
145.02969	1.6
146.03688	0.6
149.04596	0.5
149.06071	1.5
151.04008	0.4
159.04527	4.4
161.02571	0.3
171.02986	1.1
173.02481	0.5
173.04523	2.3
178.02721	1.4
186.03207	0.4
187.04021	0.5
189.02005	0.6
191.05626	100.0
192.05971	1.2
193.05026	4.3
203.03586	2.5
218.29523	0.3
224.04826	0.5
225.05658	0.4
228.11938	0.3
235.04059	0.4
237.05536	0.4
239.03407	0.4
245.04651	0.5
251.03543	1.3
252.04346	0.7
253.05025	2.5
263.03525	4.4
264.04227	1.3
265.05063	1.1
267.06421	0.4
277.05182	1.2
278.05783	0.5
279.03076	2.6
280.03894	3.7
281.04568	7.8
282.05319	1.5
283.06067	1.6
285.12158	0.4
291.03137	3.4
292.03796	1.5
293.04480	2.3
294.05331	0.7
295.02933	0.4
295.06171	2.3
296.06989	4.4
297.07733	1.6
298.08502	1.5
305.04578	0.7
306.05392	2.5
307.02524	2.1
307.06161	1.4
308.03351	9.2
309.04108	4.6
311.09344	3.4
313.10815	2.3
316.78854	0.3
322.04895	0.6
323.05643	9.1
324.06454	5.1
335.01978	0.5
337.06955	0.5
338.07996	9.7
339.05063	0.7
339.08752	17.0
347.07562	0.4
350.04385	1.4
353.10291	0.4
355.08420	2.1
357.09787	1.4
365.06656	6.4
382.07065	0.4
383.07928	3.1
397.09430	0.4
399.10962	1.9
425.08902	4.0
455.10126	0.7
459.15176	0.5
485.11032	1.8
501.14322	0.4
545.13074	1.4
587.14270	0.4
647.16986	0.4
663.19153	1.2
681.20483	0.5
707.18414	39.8
708.18848	0.5
725.19708	1.6
737.19092	1.5
761.93091	0.3
899.25226	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	897.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59340	14.3
108.85289	16.5
207.10310	31.2
210.53383	17.0
255.23224	25.9
397.13550	37.4
455.35464	27.3
861.48254	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	897.699
Annotation	Unknow
Peak:m/z	Relative Intensity
74.44025	0.2
78.59390	0.2
101.44499	0.2
102.19860	0.2
113.94340	0.2
116.92870	0.2
125.74798	0.2
126.91167	0.2
135.96173	0.2
136.37358	0.2
153.83519	0.2
164.12138	0.2
233.23106	0.2
265.64752	0.2
441.33844	4.6
455.35413	100.0
456.35834	1.6
628.05865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68891	2.4
71.01383	53.8
72.99365	3.5
73.02944	6.7
83.01424	4.7
85.02963	11.3
87.00898	14.9
89.02451	50.2
92.91451	2.6
95.01407	5.3
97.02959	4.4
99.00909	3.0
101.02462	52.2
113.00961	2.9
113.02443	24.1
116.92868	3.0
119.03505	16.4
125.02442	16.9
131.03481	3.6
131.14497	2.9
143.03487	4.1
161.04578	11.0
179.05623	4.7
191.84332	3.1
221.06644	14.7
235.08206	4.0
241.01419	2.6
276.02130	3.0
277.21741	36.2
355.43802	3.0
397.13684	10.9
467.13220	3.4
559.18933	100.0
577.19849	31.2
628.62775	2.9
837.41376	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	897.435
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03589	1.7
65.74614	1.8
71.01386	48.4
72.99314	2.5
73.02958	8.6
73.65917	1.8
76.90460	1.9
81.03472	2.4
81.48776	1.9
83.01412	4.2
85.02959	10.7
87.00903	14.1
89.02446	49.2
91.45496	1.9
92.10165	4.6
97.02962	2.6
101.02443	42.0
107.22537	2.2
107.68769	2.2
113.02458	26.1
115.84148	2.4
119.03513	15.5
125.02448	14.4
131.03482	9.9
143.03554	4.4
152.91090	2.4
161.04564	14.0
179.05614	5.3
195.08328	2.4
221.06702	9.6
222.90640	1.9
232.66219	2.1
235.08255	4.8
247.52615	1.9
277.21722	20.9
379.12701	3.2
397.13269	2.9
538.58081	2.2
559.18994	100.0
577.20044	32.1
837.41663	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	897.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01909	1.6
69.03455	3.9
70.02953	0.8
71.01383	80.9
71.66084	0.7
72.99322	2.8
73.02950	25.5
75.00865	1.1
81.03471	3.2
83.01389	13.0
83.05038	3.2
85.02952	53.5
87.00873	5.6
89.02447	26.8
95.01402	8.4
97.02951	4.5
99.00883	9.5
101.02444	66.7
111.00912	3.4
111.04540	4.7
113.02460	36.6
113.03255	1.4
119.03506	11.8
121.02961	0.9
125.02450	10.5
131.03471	2.8
135.04588	0.9
141.01897	1.1
143.03505	6.0
159.03023	6.2
161.04556	27.9
161.06059	5.4
164.04961	0.8
165.06653	0.7
175.07649	3.1
179.05623	4.7
191.05676	1.1
196.38190	0.8
221.06715	4.3
245.06737	2.8
263.07813	3.4
323.09827	6.0
333.18878	0.8
351.19595	5.2
369.20987	1.2
495.27539	4.3
513.28619	17.3
657.32922	1.0
675.33978	40.0
819.38385	8.2
837.39252	100.0
838.39050	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	897.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	6.0
71.01383	100.0
72.99328	3.9
73.02966	31.8
74.53943	3.2
75.12185	3.0
80.39375	2.8
81.03477	3.9
83.01422	16.4
85.02948	63.9
85.03368	3.5
87.00854	3.2
89.02445	40.3
90.15556	3.3
94.40668	3.1
95.01400	6.9
97.02958	5.1
99.00900	13.0
101.02433	81.0
106.01625	3.2
111.00888	3.2
111.04505	5.6
113.02459	42.7
119.03510	18.8
125.02460	13.0
141.01738	15.0
159.02963	5.2
161.04553	34.4
179.05563	5.1
191.05661	6.5
221.06802	6.1
263.07916	5.0
280.91434	3.4
323.09805	26.0
409.13708	14.9
513.28680	20.3
675.33929	27.4
717.33026	4.8
755.43256	4.1
837.39319	87.5
897.01508	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	897.414
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97210	0.4
68.99819	0.7
69.03445	3.5
71.01383	72.8
72.99311	2.6
73.02945	23.8
75.00883	1.0
81.03468	2.9
83.01388	13.1
83.05032	3.4
84.02192	1.0
85.02953	45.2
87.00866	4.7
89.02445	30.5
92.10123	1.2
95.01379	6.5
97.02967	4.5
99.00877	9.9
101.02447	60.4
109.02930	0.7
111.00893	2.0
111.04543	4.6
113.02455	34.2
115.04003	0.5
119.03509	9.5
121.02988	0.8
125.02455	10.3
128.70517	0.4
129.01907	0.7
131.03488	2.3
139.03986	0.5
141.01913	0.7
143.03502	6.1
145.70447	0.5
149.04625	0.5
159.03001	3.2
160.05365	0.5
161.04559	20.3
161.06070	3.8
175.07658	3.9
179.05638	3.6
212.82884	0.4
217.00307	0.9
221.06694	2.9
245.06622	2.2
247.08365	0.4
263.07761	2.0
323.09903	7.7
325.21405	0.5
351.19617	2.0
369.20758	1.0
480.25211	0.7
481.26019	0.6
495.27716	4.4
513.28564	10.3
513.90942	0.5
581.65936	0.5
657.32648	0.7
675.34027	25.1
676.34088	0.9
732.54218	0.5
819.38336	4.8
837.39264	100.0
838.40448	3.3
902.84290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.414
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72696	0.5
69.03465	2.6
71.01384	46.8
72.99309	1.0
73.02943	15.1
73.28778	0.5
81.03481	2.9
83.01387	7.7
83.05027	5.6
85.02950	28.0
85.03458	1.0
87.00891	1.5
89.02448	18.8
95.01361	4.4
97.02970	4.7
99.00887	6.1
101.02448	38.6
111.00906	1.5
111.04528	4.8
113.02453	20.3
115.60484	0.6
119.03510	8.1
121.02971	11.7
122.03781	0.8
123.04530	1.3
125.02433	5.6
131.03575	0.9
135.04526	0.7
143.03519	3.4
155.03520	0.6
159.03023	0.9
161.04544	10.1
179.05678	0.7
191.05577	0.8
221.06721	1.2
245.06708	1.0
263.07645	0.8
316.68097	0.6
323.09888	2.8
351.19846	1.3
467.19043	0.8
495.27466	2.9
513.28656	19.3
622.43823	0.7
675.34058	21.2
837.39270	100.0
838.39294	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	893.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41475	0.7
66.03526	0.6
67.71173	0.7
71.01382	6.5
71.17097	0.7
73.02946	2.6
83.01404	1.2
85.02938	4.8
88.98822	1.1
89.02468	4.3
90.40307	0.7
101.02467	5.5
113.02448	2.6
119.03555	0.9
125.02466	1.2
130.84564	0.7
131.03484	0.6
137.02492	0.7
161.04610	1.5
191.05600	0.7
282.59430	0.7
414.32333	0.9
478.28662	0.9
582.01154	0.8
695.37054	1.5
857.41956	30.7
893.39618	100.0
894.39813	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	893.396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77621	1.1
71.01396	16.6
73.02970	3.2
83.01416	2.8
84.98208	1.1
85.02964	5.8
87.00897	1.5
89.02461	7.6
95.01395	2.2
96.90919	1.3
96.96048	2.2
99.00914	2.6
101.02461	12.1
106.89652	1.2
113.02467	6.3
115.09266	1.3
119.03506	1.8
119.05054	2.2
122.94645	1.3
125.02425	2.6
135.04471	1.4
143.03558	2.0
145.02916	12.4
155.10788	1.8
161.04553	3.3
163.04002	3.2
165.05614	2.5
170.49937	1.7
191.05582	3.0
628.19135	1.5
731.31415	2.9
821.40326	15.9
857.41467	5.2
893.39606	100.0
894.40558	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	895.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63731	0.3
71.01380	22.8
71.01776	0.8
72.99309	0.9
73.02934	4.9
73.03273	0.4
73.39380	0.3
83.01385	3.4
83.05042	0.5
85.02955	10.2
87.00877	1.0
89.02444	18.2
95.01386	2.7
96.96011	0.7
97.02935	0.5
99.00883	2.6
101.02441	20.4
102.49436	0.4
111.04507	0.5
113.02455	9.9
119.03506	8.4
119.05007	1.5
124.05140	0.4
135.04544	0.6
137.09659	0.4
149.04568	0.5
151.04047	0.7
161.04521	0.5
163.03996	0.9
173.04541	0.6
179.03436	0.6
189.12868	1.4
191.05620	2.5
201.12886	0.6
234.78976	0.4
237.14908	0.9
256.59332	0.4
261.35361	0.4
443.19321	100.0
444.19849	2.8
445.19788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	13.3
71.01408	24.3
76.57957	4.0
85.02969	8.8
88.98827	8.3
89.02460	21.0
92.10783	8.0
96.95996	4.4
99.00905	4.1
101.02461	18.9
113.02454	7.2
116.92854	5.5
119.03484	4.9
126.82813	3.7
157.03612	3.6
161.02441	5.2
161.04684	6.5
162.85966	3.9
175.03990	8.0
177.01949	6.9
179.48421	3.7
181.04964	3.5
182.41528	3.3
191.05603	8.7
193.03792	5.7
224.05981	3.7
225.80219	3.9
241.06093	3.9
257.09326	22.3
259.34958	4.0
269.09335	20.9
311.10489	8.1
368.13474	3.5
831.46777	28.0
855.40540	19.8
891.37933	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	891.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.8
70.38196	1.4
71.01373	13.5
73.02959	2.7
85.02964	7.8
87.00877	2.4
88.98797	5.9
89.02464	7.5
92.10092	7.7
93.03454	2.2
97.03094	1.6
99.00896	1.7
101.02448	8.3
113.02465	7.0
116.92863	6.6
118.21379	1.6
119.03491	1.8
123.52115	1.5
135.04449	2.2
136.67110	1.6
150.03249	2.2
161.02498	2.5
166.02710	2.1
178.06416	2.2
186.01781	1.9
191.05612	8.4
210.25671	1.9
214.08763	1.9
241.06123	2.0
257.09363	7.1
269.09412	2.7
311.10422	3.5
740.32971	1.7
831.47192	11.4
855.40948	29.1
891.38049	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	891.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01916	0.3
71.01371	0.5
84.19710	0.2
85.02953	5.3
87.00887	1.1
93.03454	2.6
109.02972	0.3
111.04538	0.9
119.83049	0.2
127.04026	1.6
133.02963	1.5
135.04556	1.5
155.03520	0.3
161.02428	1.8
165.15883	0.2
171.02994	0.3
173.04568	1.5
179.03531	0.9
191.05641	100.0
192.05988	1.4
224.98341	0.2
353.08832	17.2
502.68851	0.3
514.16315	0.3
604.71228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38945	0.4
71.01377	8.3
73.02944	0.7
74.39897	0.4
83.01403	0.7
85.02955	3.5
89.02443	8.6
89.03970	0.5
93.03451	1.0
96.95997	0.9
99.00916	0.6
101.02437	6.4
111.04553	0.5
112.11802	0.5
113.02466	2.7
117.01970	0.4
117.03461	3.0
119.03506	2.6
121.02941	0.8
121.73141	0.4
131.03473	0.5
132.02179	9.9
133.02942	1.8
134.03740	44.1
135.04524	1.9
136.01727	0.5
137.02402	0.8
148.05284	0.8
149.06090	5.7
151.04073	0.5
151.06116	5.4
160.01666	70.6
161.02335	1.0
163.03937	0.9
164.04826	0.5
173.05948	0.6
175.04012	85.8
176.04805	6.4
177.01901	0.9
178.02739	2.5
191.05583	5.0
191.07170	10.0
193.05070	51.8
194.05376	0.7
201.71036	0.5
207.06641	3.2
208.03932	0.7
209.02786	0.8
217.05179	0.6
220.03723	1.7
223.06195	0.8
235.06137	20.3
239.90511	0.5
265.07135	2.3
267.07123	0.9
295.08105	3.5
385.11423	0.6
489.16226	100.0
490.16440	3.0
697.19806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.222
Annotation	delphinidin 3-O-rutinoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside)
Peak:m/z	Relative Intensity
61.98836	0.9
63.02417	0.5
63.58111	0.5
65.00342	6.7
71.01408	1.2
73.02974	0.6
83.01409	3.4
85.02965	1.9
87.00894	0.7
89.02475	0.8
92.10065	0.6
93.03457	3.3
96.96008	1.1
107.01408	17.6
109.02975	1.4
113.02450	0.7
118.98043	0.6
121.02931	5.9
124.01614	1.0
125.02465	1.0
131.01373	1.0
133.02971	1.0
135.04529	1.3
136.01685	2.7
137.02463	6.1
145.02908	0.9
149.02469	1.2
150.03214	0.8
151.00389	95.1
151.04044	2.5
160.48038	0.6
161.02414	1.3
163.00388	1.2
163.03992	1.2
165.01945	0.9
165.05531	0.6
169.01427	2.6
171.04500	1.4
173.04489	0.7
175.00366	17.6
175.03911	2.2
177.01959	3.4
178.99886	7.4
179.03476	1.1
179.05663	0.7
179.07152	0.7
187.04063	0.8
189.01964	0.7
191.03661	0.7
191.05626	5.8
193.01392	3.8
193.04968	0.6
195.06509	0.7
199.04047	5.6
203.03497	0.7
205.01411	1.4
215.03572	3.0
226.02756	0.9
227.03528	6.3
229.05228	0.9
242.02290	0.8
243.03023	7.3
255.02998	7.5
271.02518	80.2
272.02966	2.7
282.01724	0.9
283.02548	1.1
299.02017	100.0
300.02783	40.6
301.03577	50.6
302.03964	0.7
402.14017	0.6
433.07614	3.2
461.07266	1.0
510.42065	0.7
517.33972	0.8
565.09631	0.8
576.87671	0.6
582.10468	4.6
583.11029	33.2
584.11072	0.8
609.14551	5.2
891.22113	37.5
891.38031	1.3
892.21509	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	887.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	8.1
65.43911	0.6
69.03468	2.9
71.01383	51.3
72.99314	1.4
73.02946	20.5
75.00877	1.6
81.03477	2.6
83.01398	6.2
83.05034	2.7
85.02958	33.8
85.03465	1.4
87.00875	4.1
89.02446	58.2
90.02782	1.3
91.02853	0.7
91.54073	0.7
93.03462	1.1
95.01392	2.7
96.96016	0.9
97.02953	5.7
99.00883	27.0
101.02444	39.5
111.00860	1.0
111.04532	1.2
113.02455	15.3
115.04023	4.5
119.03486	3.3
119.05087	0.8
119.08631	1.6
125.02448	7.7
127.03963	0.8
128.93718	0.7
131.03523	8.3
134.03770	1.0
135.04510	1.3
136.01640	1.1
143.03510	3.0
143.32082	0.6
145.08963	0.6
149.04582	12.9
150.04883	0.9
151.03989	2.3
151.05040	0.9
159.37445	0.6
160.01672	0.8
161.02556	2.0
161.04529	3.6
168.16745	0.8
175.03999	3.0
177.05609	0.6
179.03452	2.7
191.05643	10.2
192.05882	1.0
193.83763	0.6
221.06769	2.5
233.06682	4.4
258.99216	0.7
293.08734	2.4
312.04596	0.6
331.38141	0.7
371.22467	6.1
503.33771	3.8
533.31317	8.9
603.68701	0.7
642.26886	0.8
695.36664	8.5
722.39429	0.8
827.40881	100.0
828.41125	3.4
881.68579	0.7
921.41656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34631	0.4
66.65022	0.3
67.01881	0.4
71.01404	0.6
85.02958	6.6
87.00888	2.0
93.03459	5.3
96.96021	0.5
96.98222	0.4
105.03453	0.6
111.04541	1.5
114.10567	0.4
119.25549	0.4
127.04015	2.1
133.02960	7.2
134.03340	0.5
134.57317	0.4
135.04521	3.7
161.02451	2.1
165.38136	0.3
171.03036	0.5
173.04591	2.8
177.01941	1.8
179.03517	1.5
191.05629	100.0
192.06033	0.9
215.05649	1.8
351.07248	6.1
352.07513	0.4
353.08841	12.6
519.57874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	4.7
69.03446	0.6
71.01383	4.7
72.99341	0.5
81.03465	0.8
83.05040	2.0
85.02950	9.7
87.00900	2.1
89.02420	0.4
90.38293	0.4
93.03457	27.2
99.00845	0.5
99.04516	0.4
101.06100	1.3
105.03509	0.5
107.05019	0.5
109.02989	1.6
111.00893	1.4
111.04510	7.4
113.02457	0.6
121.02971	0.7
127.04029	2.3
133.02965	6.1
134.03804	3.2
135.04529	75.6
137.02432	5.7
147.04561	0.5
155.03542	5.6
159.80186	0.4
161.02466	5.3
163.04022	0.5
173.04561	100.0
174.04886	1.7
177.01947	0.7
179.03511	64.9
180.03860	0.6
191.05632	97.8
192.05899	0.6
209.04518	0.7
223.27893	0.4
241.44038	0.4
351.07260	2.6
351.12830	0.7
352.07782	0.6
353.08838	68.1
354.09351	0.5
381.06638	0.3
533.14886	3.0
583.31934	0.4
637.67810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
73.43265	2.5
87.50092	2.9
90.17943	3.2
91.01888	3.7
101.02473	4.0
108.02212	4.5
114.56391	2.7
123.04536	37.6
124.63680	2.8
136.75699	2.8
152.01118	13.4
153.01921	5.2
155.56918	2.8
167.03513	100.0
182.31297	2.8
627.81128	3.3
809.37799	41.5
827.38751	37.2
870.39990	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	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53999	0.9
66.68832	0.8
69.03474	1.1
71.01378	16.4
73.02956	3.2
77.57783	0.9
80.02681	1.1
81.03471	2.2
83.01439	1.3
83.05052	4.9
83.81637	0.9
85.02972	4.1
87.00897	4.1
89.02444	14.4
97.02956	3.3
97.30192	1.0
98.47563	0.8
99.00879	1.0
99.04568	0.9
101.02447	9.6
113.02419	6.6
114.40453	0.9
119.03498	4.8
125.02460	6.4
143.03464	0.9
146.09253	0.9
161.04564	1.2
163.11314	5.7
165.12897	3.5
179.05537	1.3
181.12357	1.0
209.11867	100.0
221.96223	0.9
227.12946	8.8
235.08308	5.5
239.86565	0.9
277.21777	58.9
292.74820	1.0
316.82114	1.3
379.12711	6.6
379.16705	1.0
397.13577	35.7
415.14648	7.3
427.86768	0.9
469.75391	1.0
884.90411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.8
71.01386	3.0
73.10950	0.5
85.02969	2.4
87.00886	1.3
89.02451	2.9
91.51068	0.6
93.03457	4.4
96.95999	2.2
99.00866	0.8
101.02464	1.3
107.01404	2.7
109.02985	2.3
121.02985	2.0
132.97806	0.6
133.02968	1.5
134.03680	0.6
135.04475	0.6
137.02347	0.7
145.02939	1.0
149.02460	0.9
151.00392	11.5
151.46820	0.7
153.01942	0.8
161.02417	1.1
163.00334	1.0
163.03999	0.7
169.01401	0.7
173.04475	2.7
175.04005	1.4
178.99896	5.2
183.04517	0.6
191.05629	14.8
192.05891	0.9
195.06625	0.6
199.03970	4.1
201.01973	1.2
202.54874	0.6
215.03558	0.9
226.02808	1.2
227.03604	5.0
237.06184	0.6
243.03036	6.1
244.03818	0.8
245.04433	0.7
254.02089	0.7
255.03004	11.6
271.02527	83.9
272.02893	2.5
273.04041	0.7
283.02408	0.8
299.02014	100.0
300.02789	74.7
301.03583	66.3
313.03656	0.6
343.04626	0.7
399.99030	0.7
462.07843	1.1
534.10590	1.0
578.13177	5.0
609.14716	26.4
771.19873	5.1
843.21838	3.5
887.24554	31.4
888.26971	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	885.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.4
69.05171	0.4
71.01387	39.7
72.99313	2.0
73.02953	14.1
77.26082	0.4
82.40785	0.3
83.01423	0.8
83.41651	0.3
85.02962	4.9
87.00888	0.7
89.02454	100.0
96.95990	0.4
97.02942	0.5
98.43516	0.4
99.00889	32.1
101.02451	31.3
113.02469	5.1
119.03503	1.8
125.02442	2.6
131.03510	12.1
134.03737	0.4
135.04515	0.8
141.28978	0.4
143.03490	2.6
145.02893	0.5
149.04578	49.0
161.02463	0.6
161.04561	4.2
161.05963	0.7
173.04581	0.5
176.01176	0.7
179.03535	1.6
185.02463	0.4
191.03914	0.8
191.05655	16.5
192.06003	0.4
204.26610	0.4
221.06676	7.1
251.07748	4.7
263.07672	0.5
275.07639	0.6
281.08868	0.6
293.08881	3.2
311.09903	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	885.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92850	0.2
71.01377	8.9
72.99300	0.9
73.02943	1.4
80.90958	0.2
83.01403	1.0
85.02950	3.2
87.00890	1.3
89.02437	10.7
91.48309	0.2
93.03447	1.0
93.33883	0.2
95.01403	0.8
96.96008	0.9
99.00867	0.4
101.02435	7.6
113.02441	5.3
115.07677	0.2
119.03499	4.3
121.02927	0.4
127.11322	2.3
128.31822	0.2
131.03526	0.3
134.31372	0.3
135.04526	0.3
135.53258	0.2
143.03482	0.3
155.10780	0.8
157.12338	13.5
161.04532	0.3
171.13942	0.9
173.04451	0.4
179.03500	0.3
179.05617	0.3
185.11841	2.2
187.13341	1.2
191.05614	2.5
199.13397	2.0
201.11317	0.3
203.12906	39.6
204.13200	0.3
219.69081	0.3
224.13986	0.2
245.13954	1.6
306.92834	0.2
363.17847	0.4
365.18188	100.0
366.18481	1.3
536.55084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99432	1.3
71.01371	12.2
73.02941	1.4
83.01360	1.7
83.05015	6.9
85.02928	2.0
87.00886	1.9
89.02438	14.7
97.02972	1.7
101.02424	10.3
101.03466	1.5
105.82500	1.5
113.02443	2.9
125.02447	2.4
132.51360	1.3
134.03691	1.8
163.11316	6.4
165.12839	3.3
170.53427	1.7
191.10803	1.9
193.05104	2.2
209.11856	100.0
210.93341	1.3
227.12802	7.5
277.21722	39.3
305.08490	1.9
379.12558	2.7
397.13467	26.1
415.14584	5.6
471.34595	2.3
825.53461	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	885.414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37574	0.5
61.64775	0.6
61.99155	0.7
68.33521	0.6
69.03477	1.4
69.42507	0.7
71.01395	58.6
71.46676	0.6
72.99309	1.3
73.02955	20.1
81.03495	0.9
83.01394	7.5
83.05048	3.5
84.02173	0.7
85.02969	30.5
85.03462	1.4
85.33238	0.7
87.00887	2.7
89.02452	19.2
90.58877	0.6
93.03463	9.0
95.01392	4.8
97.02961	5.4
99.00875	7.8
101.02451	50.4
108.04652	0.7
111.00881	2.6
111.04522	4.2
111.69002	0.6
113.02467	27.6
117.36409	0.7
119.03500	7.0
121.02946	5.7
123.04521	1.5
125.02444	7.3
131.03458	1.4
139.04054	0.7
143.03493	3.7
149.06099	3.4
155.03406	0.9
159.02968	2.8
161.04588	12.2
179.05630	1.6
191.45465	0.8
194.60017	0.7
221.06697	1.5
245.06630	1.3
263.07703	0.8
264.89832	0.7
323.09851	3.1
371.22299	0.7
396.76981	0.8
497.29095	1.3
515.30237	14.2
677.35553	13.4
839.40881	100.0
840.41541	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	885.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98859	1.0
64.03159	0.9
69.03462	1.9
71.01382	74.5
73.02945	24.4
75.00870	1.9
75.81533	0.9
81.03468	4.2
83.01395	11.8
83.05049	5.9
85.01250	1.0
85.02953	38.8
87.00901	4.2
89.02446	26.9
93.03461	1.6
95.01396	5.8
96.47260	1.1
97.02975	2.4
99.00882	8.9
101.02444	53.5
111.00900	1.7
111.04522	6.2
113.02448	33.5
119.03529	9.0
125.02482	8.7
131.03453	1.6
143.03526	4.1
150.03351	1.0
155.01622	1.1
159.02982	4.3
161.04576	18.9
179.05704	2.0
191.05676	1.3
209.23174	1.0
221.06726	1.6
245.06831	1.3
263.07797	1.7
323.10010	7.6
501.32199	1.6
515.30139	10.1
515.37262	1.2
677.35669	18.9
698.62115	1.1
839.40839	100.0
840.40405	2.1
881.39166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	2.2
67.84555	1.1
69.03476	2.2
71.01393	57.7
71.01776	2.1
72.99326	4.4
73.02954	20.8
75.00895	1.1
82.95438	4.4
83.01419	6.4
85.02956	22.6
87.00906	5.5
89.02455	77.8
89.03009	2.6
93.03473	5.4
95.01405	2.7
96.96033	1.6
97.02960	4.7
99.00896	28.3
101.02448	53.1
101.03091	2.2
109.02953	1.3
109.19395	1.2
113.02470	21.5
115.04075	2.2
119.03532	11.2
125.02466	6.5
131.03520	10.0
133.02939	2.1
135.04549	5.0
137.02452	1.4
141.90938	1.1
143.03529	2.4
149.04578	17.6
160.04025	2.5
161.02428	1.6
161.04562	8.3
161.06085	4.7
173.04570	1.6
175.07649	6.3
177.02037	1.1
179.03450	2.1
179.05667	2.0
191.05690	18.0
192.04181	1.5
233.06734	1.4
351.19977	4.1
369.20709	15.9
501.32047	10.0
513.24823	2.3
531.26318	5.1
586.55695	1.5
645.29779	1.8
663.30347	100.0
664.30762	2.5
786.44989	1.6
807.36304	2.3
825.35687	44.6
915.05957	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	883.434
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16762	6.9
64.54596	7.4
65.13941	5.5
66.81560	5.6
68.28504	5.6
71.01383	12.0
73.02935	100.0
85.02960	44.3
89.01205	6.5
92.65220	9.1
93.03444	6.9
101.02429	16.8
103.04047	7.1
111.04531	7.9
113.02485	7.3
123.04115	7.0
156.31946	7.8
172.20610	7.3
175.83195	8.0
191.05679	11.5
203.11653	6.4
203.85167	6.8
260.49481	8.4
318.81204	7.6
500.55908	8.5
533.31598	13.0
536.48132	8.2
732.10883	8.2
823.40906	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	883.544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	1.9
64.88201	1.1
71.01394	6.6
73.02962	1.3
73.25180	1.2
85.02954	12.7
89.02473	5.7
97.06585	1.2
101.02463	7.3
101.37116	1.2
123.68884	1.1
130.98198	1.2
144.17561	1.1
161.04605	2.3
171.10272	7.2
183.13919	19.5
195.13918	1.7
197.76184	1.1
202.81424	1.4
211.13432	5.9
235.08217	9.7
251.16553	5.9
253.09322	19.6
277.21747	100.0
291.19672	4.8
309.20813	11.7
327.21835	74.3
545.29871	5.2
563.31055	2.4
587.43494	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	885.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03969	0.1
67.01894	4.7
69.03459	1.2
71.01376	1.8
71.05036	0.1
73.02928	0.2
81.03458	0.9
83.05020	0.9
85.02947	4.9
87.00869	7.9
87.81298	0.1
89.03972	0.2
92.10194	0.1
93.03451	30.6
93.07687	0.1
94.03804	0.1
95.01363	0.1
99.00867	0.7
99.04519	0.7
101.02440	0.2
101.03050	0.1
109.02957	0.7
111.04521	4.7
113.02434	0.6
115.03989	0.2
117.03465	1.0
127.04007	1.6
129.01955	0.9
134.03740	11.6
137.02414	0.6
143.03479	0.2
145.04913	0.1
149.06136	1.1
153.01823	0.1
155.03516	1.2
160.01678	0.6
171.03026	0.7
171.04390	0.1
173.04552	11.5
175.04033	0.7
178.02711	0.2
191.05629	100.0
192.05971	0.6
193.05069	6.7
226.05522	0.1
252.77789	0.1
273.49490	0.1
367.10376	38.8
368.10721	0.4
399.04721	0.1
593.92999	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	882.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	5.3
71.01379	53.4
73.02955	17.7
83.01410	9.0
83.05072	4.1
85.02938	28.1
89.02440	23.3
92.10818	6.3
93.03477	8.7
95.01422	2.2
97.02966	2.8
99.00922	3.1
101.02438	46.0
111.04489	3.3
113.02480	15.8
119.03551	3.8
121.02966	8.8
143.03561	3.2
144.96190	2.2
159.02983	3.3
161.04588	13.4
182.18510	2.5
323.09729	2.7
363.37186	2.6
450.20804	2.3
515.30176	10.5
677.35535	13.5
839.40796	100.0
840.41840	3.8
908.78314	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	883.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00530	0.2
67.01894	0.6
68.99827	0.5
71.01382	15.7
72.99303	3.8
73.02959	1.4
75.00873	13.8
80.05495	0.2
81.03466	0.4
83.01406	1.2
85.02954	21.6
87.00879	6.8
89.02444	7.0
91.04070	0.3
92.81838	0.3
93.03468	1.0
95.01381	4.6
95.05035	0.5
99.00883	8.2
101.02481	1.3
103.00381	2.3
109.02968	0.4
113.02458	24.9
113.06093	26.8
115.00379	2.3
117.01945	2.8
121.02962	1.0
129.01978	2.2
131.03511	0.5
135.04546	0.5
149.04510	0.3
155.10759	0.3
157.01439	0.3
173.04555	1.0
175.02454	1.8
175.03815	0.3
189.04086	0.5
191.05617	4.0
201.11316	0.7
203.12956	0.3
205.07172	1.9
207.05162	0.6
223.08237	1.3
231.05054	1.9
249.06184	16.7
267.07242	28.7
290.91092	0.3
303.10794	0.4
363.13040	100.0
364.13437	1.6
385.11514	1.9
484.88306	0.4
640.84912	0.3
694.88098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	6.7
71.01398	22.0
74.42377	4.7
77.62502	4.1
77.95203	4.8
79.64370	4.1
79.89584	4.3
83.05277	4.1
85.02957	4.4
87.00874	100.0
89.02453	8.3
92.10824	11.7
93.03453	6.8
116.31988	5.0
141.01726	45.0
162.53410	4.6
191.05670	18.1
306.55280	5.9
408.48428	4.8
469.33252	77.4
513.36005	21.9
719.48053	5.7
881.45856	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	0.9
62.53556	0.5
63.02431	0.7
65.00343	1.3
71.01391	5.4
73.02969	0.6
75.79533	0.5
80.26325	0.5
83.01436	2.2
85.02994	1.1
89.02453	5.7
93.03483	1.1
99.00898	0.6
101.02439	5.0
107.01390	5.0
113.02492	2.3
119.03520	2.9
119.05024	10.4
120.57313	0.5
125.02441	2.2
131.03581	0.8
134.03731	0.8
141.01711	0.9
143.03523	0.7
151.00377	13.7
164.94328	0.6
165.02036	0.6
177.01949	1.2
178.88124	0.5
179.05667	2.4
185.06113	0.6
191.05617	2.3
194.39256	0.5
221.06671	1.1
271.06149	19.6
289.64810	0.5
323.09802	7.6
391.30096	1.0
453.33804	80.7
454.33810	0.9
513.35919	100.0
514.36542	2.0
630.71649	0.7
837.46545	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	879.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24773	0.8
64.56983	0.8
71.01394	2.1
92.10034	2.1
96.99323	4.0
111.08152	1.5
141.01720	100.0
173.08249	1.4
224.62172	0.9
287.14865	1.0
407.31992	0.8
737.36884	1.2
777.36023	1.9
819.36371	1.2
858.09558	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	879.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	3.1
71.01398	9.1
71.83818	1.8
73.02939	2.0
85.02961	3.2
89.02455	2.7
96.99321	3.4
101.02467	2.2
101.67330	2.1
113.02473	2.3
122.49454	2.3
138.75511	2.2
141.01703	100.0
191.05576	8.1
266.86606	2.6
272.19608	2.1
321.48529	2.2
331.24945	3.6
361.35165	2.2
502.28558	2.5
621.98761	2.2
754.76648	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	879.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	3.1
71.01398	9.1
71.83818	1.8
73.02939	2.0
85.02961	3.2
89.02455	2.7
96.99321	3.4
101.02467	2.2
101.67330	2.1
113.02473	2.3
122.49454	2.3
138.75511	2.2
141.01703	100.0
191.05576	8.1
266.86606	2.6
272.19608	2.1
321.48529	2.2
331.24945	3.6
361.35165	2.2
502.28558	2.5
621.98761	2.2
754.76648	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	875.386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29839	7.2
65.01101	7.1
65.68822	6.3
71.01403	17.5
75.15761	6.3
83.54408	7.1
83.87566	8.1
89.57446	7.3
96.69853	7.8
100.70187	7.4
101.02451	12.0
118.74013	8.7
123.04531	11.8
125.02441	10.8
259.42764	7.5
418.00409	7.6
430.69476	8.8
549.06049	9.8
715.35101	11.6
798.43433	10.6
875.38422	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	877.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.5
69.03458	8.4
69.08365	1.6
69.30167	1.3
71.01379	62.8
72.99308	7.7
73.02960	12.5
76.96474	1.5
81.03466	3.2
83.01419	3.0
84.67659	1.8
85.02944	15.3
87.00903	3.4
89.02440	71.2
93.03447	3.9
95.01382	3.0
96.95963	1.7
97.02940	9.2
99.00906	12.4
99.04505	2.8
101.02425	22.8
109.02973	2.1
113.02441	10.3
115.04012	10.4
119.03453	3.4
121.02946	8.6
122.03754	13.5
124.01582	1.6
125.02442	34.4
131.03510	6.1
133.02956	2.2
135.04567	2.4
136.01683	16.6
137.02432	2.0
148.19177	1.7
149.02487	13.6
149.04546	9.7
150.03247	100.0
151.00369	3.5
151.03998	10.5
161.02461	3.3
164.04753	2.8
165.05589	82.9
166.02715	11.0
173.04602	2.1
177.01921	6.5
177.05568	1.6
180.04288	8.0
181.05086	11.7
191.05696	15.0
191.48230	1.7
193.05078	1.9
195.06642	34.4
233.06680	31.8
236.16829	1.8
253.69673	1.6
293.05530	1.9
293.08835	54.3
357.13458	3.1
387.14597	11.3
415.63889	1.8
439.07251	2.0
583.21735	18.3
817.41132	8.7
877.31146	2.3
883.19727	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	877.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	7.9
71.01382	68.0
72.99324	4.4
73.02947	12.7
75.00881	4.3
81.03467	4.9
83.01391	7.4
85.02961	11.4
87.00896	1.9
89.02444	85.6
92.10101	1.0
93.03445	6.4
95.01425	4.2
96.96053	0.9
97.02942	15.7
99.00887	18.1
99.04523	3.4
101.02440	20.0
108.02164	0.9
108.69324	0.9
109.02975	1.6
111.00919	0.9
113.02467	8.6
115.04030	8.7
119.03513	2.0
121.02960	16.7
122.03748	16.0
123.00886	1.3
123.04537	1.5
125.02443	41.9
131.03491	8.0
133.02994	2.0
134.03723	1.7
135.04546	12.6
136.01663	30.0
137.02464	4.3
143.03534	4.1
147.04547	2.2
149.02455	34.5
149.04495	12.4
149.05763	1.1
150.03239	100.0
151.00388	7.5
151.04016	32.3
152.01118	1.5
159.04515	1.3
160.05188	1.1
161.02425	1.1
161.04559	1.7
161.06070	1.4
163.04039	4.2
164.04826	8.4
165.05571	91.5
166.02724	22.4
167.03488	5.4
172.05321	4.6
173.04552	2.0
175.04054	5.9
175.07692	1.4
177.01955	2.1
177.05547	1.7
180.04314	7.9
181.05077	22.8
184.96353	1.1
189.05615	4.2
190.06328	9.7
191.05606	11.6
193.05121	1.3
195.06631	28.9
202.99214	0.9
205.05142	1.2
205.08775	1.6
221.08154	1.4
233.06673	35.8
282.05371	1.4
293.08835	76.0
297.07620	1.2
315.08798	1.3
329.10318	4.3
342.11099	1.1
355.11856	1.6
356.12808	1.6
357.09769	5.0
357.13599	8.0
372.12198	5.5
373.13062	1.1
387.14615	30.7
390.14856	0.9
463.95776	1.0
490.16672	1.1
505.18777	3.7
535.19910	37.5
583.21991	52.2
583.31342	2.1
816.43005	0.9
817.42090	4.2
863.25952	1.0
880.20239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.385
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15347	0.9
71.01379	9.9
71.71474	0.9
72.64030	1.1
73.02944	2.0
85.02948	6.9
86.44722	0.8
89.02445	6.3
101.02445	9.5
113.02468	3.8
119.03513	1.5
130.83070	0.9
161.04547	1.3
191.05580	1.1
221.75377	1.0
390.06015	0.9
393.40720	0.9
418.10217	1.2
421.52826	1.0
595.11420	1.0
625.07104	1.1
677.35840	1.2
779.75165	1.0
815.46851	16.8
839.41412	6.7
875.38470	100.0
876.39178	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	875.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.2
71.01387	8.5
71.09751	1.0
73.02937	2.4
78.25079	0.9
83.01392	1.7
85.02962	6.4
89.02458	4.7
92.10105	2.0
95.01399	0.8
99.00928	1.1
99.63210	1.0
101.02455	5.9
113.02459	4.8
117.46186	0.9
125.02398	0.9
161.04550	2.0
177.01956	1.2
191.05600	1.9
339.02646	1.2
340.85544	1.0
343.56674	1.1
359.13330	1.2
422.54434	1.2
464.59250	1.2
497.29425	1.6
499.42853	1.2
659.34534	1.4
821.39850	14.5
875.38562	100.0
876.38824	4.0
886.27515	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	875.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98857	4.2
64.35152	0.8
65.13395	0.8
71.01383	8.7
73.02936	0.9
79.01640	1.0
80.04208	0.8
83.14117	0.7
85.02975	4.8
88.79948	0.9
89.02466	3.3
92.10052	0.9
93.03474	1.5
101.02455	7.0
113.02489	3.4
119.03511	1.3
122.25632	0.8
137.02490	1.0
140.34914	1.1
161.04527	2.0
180.41789	0.9
189.93520	0.9
191.05554	3.4
340.28680	1.0
361.81168	0.9
374.22186	1.1
505.81851	0.9
515.29425	0.9
622.27789	0.9
635.63190	1.0
636.10059	1.1
669.83875	1.0
839.40424	6.8
875.38538	100.0
876.39349	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	875.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	8.6
63.71398	3.8
66.80003	4.3
67.01917	4.0
69.84200	4.3
71.01389	37.0
71.30418	4.2
73.02959	5.4
85.02971	18.4
89.02457	20.1
101.02453	24.5
113.02496	8.2
117.78003	4.2
179.03535	5.8
191.05588	21.9
244.20792	5.4
746.97772	5.6
815.47491	10.3
875.38489	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	875.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	5.2
73.02969	1.4
79.94487	0.8
85.02997	1.6
89.02487	1.7
92.10140	2.1
101.02435	4.3
113.02483	1.4
114.38628	1.0
126.71675	0.9
147.50580	0.7
161.04541	1.1
204.42323	0.8
219.54674	0.8
492.68436	1.1
839.41663	6.8
875.38538	100.0
876.39441	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	875.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34646	0.5
67.01895	0.6
71.01377	2.4
73.02947	0.3
83.01399	0.4
83.81213	0.3
84.63377	0.3
85.02946	3.7
87.00851	2.6
89.02444	3.9
92.10837	0.4
93.03452	5.5
96.96016	0.4
99.00887	0.5
101.02431	1.6
109.02966	0.5
111.04549	1.4
113.02508	0.6
119.05028	2.5
121.02927	1.3
127.04007	0.5
133.02940	2.0
134.03741	55.3
137.02432	10.3
138.20523	0.4
139.04013	3.1
145.02931	1.5
149.02574	0.3
149.04619	1.8
149.06085	21.2
150.03195	0.8
155.97968	0.3
161.02449	0.6
161.04544	0.5
163.04016	2.6
165.02029	0.4
173.04599	4.8
178.02730	42.1
191.05635	42.9
192.05980	6.3
193.05064	100.0
194.05444	0.6
208.59120	0.4
210.39986	0.3
236.11563	0.3
337.09323	7.3
353.08899	2.3
354.09250	1.5
355.10391	23.6
402.64575	0.3
445.80270	0.3
459.15027	0.5
519.24530	1.3
579.95123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34697	0.8
71.01382	9.2
72.99330	1.2
73.02956	3.2
74.00564	0.8
78.81707	0.8
83.01398	1.2
84.26015	0.8
85.02953	4.4
87.00881	3.4
89.02442	6.9
90.46285	0.8
92.10133	3.7
93.03469	5.9
96.96032	2.1
99.00886	1.9
101.02466	6.3
107.01410	1.7
109.02925	1.3
111.00909	1.8
113.02449	2.1
116.92875	2.0
117.92926	1.0
119.05054	3.4
120.01258	1.0
121.02892	0.9
125.02385	1.4
133.02954	1.6
134.03751	1.9
134.89180	0.7
135.04549	4.9
137.02437	0.9
145.02939	1.2
145.41544	0.8
149.00883	1.4
149.02490	1.1
149.06001	1.0
150.03261	1.2
151.00369	8.8
151.04028	1.0
152.01106	1.0
152.73378	0.7
155.10854	1.0
160.01744	0.8
161.02452	5.3
163.00397	1.3
163.03992	0.9
165.01976	0.9
173.04567	1.6
175.04062	1.5
176.21468	0.9
177.02011	1.0
178.99878	1.8
179.03531	1.2
181.05077	1.4
191.05576	10.0
193.05043	1.2
199.04062	4.1
201.01846	0.9
205.05247	1.2
216.58101	0.8
226.02843	1.0
227.03481	4.5
243.02887	6.3
255.03108	8.6
271.02527	78.9
272.02927	1.3
299.02026	100.0
300.02789	34.8
301.03580	37.8
306.08057	0.9
447.00784	0.9
566.10565	6.1
567.11505	3.6
609.14777	15.1
760.70898	1.2
815.42712	6.9
875.22559	34.9
875.40173	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	873.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	13.6
71.01398	24.0
73.02950	2.6
77.74473	1.9
85.02977	13.1
89.02470	12.1
101.02473	18.7
113.02473	8.5
119.03532	4.2
151.66402	1.9
158.63264	2.0
161.04518	2.3
179.05579	3.5
191.05685	4.4
254.90718	2.2
488.34442	2.2
675.33942	2.3
735.95087	2.1
813.45972	15.3
837.39050	14.9
873.36975	100.0
874.38391	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98855	2.3
63.86863	1.0
71.01380	12.8
73.02963	2.9
82.17114	1.0
82.54788	1.4
83.01386	1.3
85.02969	7.5
89.02451	6.4
101.02439	10.4
112.66899	1.2
113.02463	5.4
120.79395	1.1
121.02969	13.0
128.48120	1.1
135.04523	1.7
161.02420	1.5
161.04558	2.4
191.03569	6.2
191.05667	2.3
228.79576	1.5
337.08762	1.4
651.38837	1.5
675.34100	1.8
813.44928	7.3
820.61694	1.5
837.39087	14.4
873.36859	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	873.4135
Annotation	Izumenolide
Peak:m/z	Relative Intensity
64.30685	0.5
68.99805	0.7
69.03482	3.6
71.01388	68.1
72.99317	3.5
73.02956	20.5
75.00917	0.7
76.70966	0.6
81.03461	2.9
83.01397	14.8
83.05052	3.8
85.02961	42.6
87.00867	5.0
89.02449	24.9
93.03482	2.8
95.01380	7.4
96.96017	1.5
99.00881	8.6
101.02452	55.8
106.71279	0.6
111.00906	3.0
111.04527	5.5
113.02465	29.7
119.03510	9.7
119.05031	0.8
125.02448	8.1
129.01945	1.4
131.03535	1.3
135.04527	1.3
137.02513	0.7
143.03528	4.0
152.01285	0.7
159.03029	3.3
161.02524	1.0
161.04572	12.7
164.04816	0.8
165.05576	0.9
167.03539	0.7
173.04619	0.8
175.04060	0.8
178.87459	0.6
191.05620	5.7
195.06622	0.8
245.06621	1.3
279.52975	0.7
326.12018	0.8
453.92789	0.6
726.87494	0.7
813.42261	1.1
873.41498	100.0
874.41870	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	873.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	25.5
63.29962	5.4
64.80326	5.8
69.62074	5.5
71.01399	31.3
73.02963	12.8
84.50028	5.7
85.02960	13.9
89.02465	32.2
91.74914	5.9
101.02473	45.9
102.49432	5.9
112.88000	5.8
119.03495	7.0
121.76351	6.4
135.04613	7.2
137.02454	7.8
161.04591	7.7
177.01956	6.9
179.03490	7.9
181.05064	6.7
182.80304	6.9
191.05556	12.0
335.10596	6.2
357.58136	6.3
383.52368	7.5
487.34460	25.8
488.34912	62.6
489.34912	40.2
651.38867	8.3
813.44916	24.4
837.38965	11.8
873.36163	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	871.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02843	0.2
61.98842	0.4
71.01382	4.2
72.99312	0.3
73.02957	1.0
76.89443	0.2
83.01407	0.4
85.02957	1.7
87.00903	0.5
89.02451	6.3
92.10791	0.5
93.03480	0.3
95.01399	0.2
96.88547	0.2
96.96021	0.3
97.02972	0.5
99.00924	0.3
101.02438	4.0
113.02452	2.8
116.92868	0.3
119.03483	2.3
125.02419	1.6
131.03558	0.3
139.03888	0.3
143.03526	0.4
161.02415	0.3
161.04575	0.9
179.05617	2.0
191.05669	0.9
200.85681	0.2
209.12015	0.7
221.06667	1.4
228.10922	0.2
245.06805	0.3
288.26120	0.2
304.69189	0.2
323.09900	11.7
379.30746	0.3
485.32919	2.0
486.33185	3.3
487.34381	100.0
488.34528	3.1
811.44989	9.4
871.40234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	0.3
65.04028	0.3
67.07298	0.3
69.56216	0.2
71.01383	2.2
72.99339	0.3
73.02956	0.5
81.20988	0.2
84.65032	0.2
85.02970	0.4
87.00911	0.3
89.02448	2.7
97.06597	1.1
101.02450	2.0
113.02461	1.6
119.03511	1.0
131.03464	0.3
134.03708	0.3
135.04512	1.4
161.02449	0.6
161.04587	0.3
168.14186	0.2
179.03487	0.9
179.05644	2.0
189.01630	0.3
191.05611	1.1
201.01688	0.5
221.06650	0.3
246.90631	0.2
323.09781	1.1
375.06940	3.0
469.32916	1.2
487.34363	100.0
488.34698	2.6
811.44904	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	871.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.9
68.86824	0.1
69.03472	0.1
71.01390	4.6
72.99300	0.2
73.02947	0.9
79.60320	0.1
81.03451	0.1
83.01402	0.3
85.02960	1.1
87.00893	0.3
89.02448	4.9
95.01380	0.1
96.96014	0.2
97.02934	0.2
99.00899	0.3
99.18819	0.1
100.70537	0.1
101.02444	3.6
113.02456	1.8
114.38992	0.1
116.92867	0.2
119.03498	2.3
120.47401	0.1
125.02460	1.4
131.03479	0.5
135.04469	0.2
143.03502	0.2
161.04555	1.2
163.07678	0.2
173.04578	0.1
175.03983	0.1
179.05626	2.8
191.05637	0.4
221.06670	1.0
227.49570	0.1
263.07767	0.3
289.13956	0.1
305.08774	0.2
308.32132	0.1
323.09891	8.2
371.56418	0.1
377.28259	0.2
379.30005	0.6
391.30249	0.3
393.31714	0.3
407.29462	0.1
409.31210	1.5
421.31290	0.2
473.32431	0.2
474.33179	0.2
475.33936	0.2
487.34363	100.0
488.34836	2.2
649.39642	0.3
663.31146	0.1
811.44952	8.2
848.49768	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	871.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	0.7
67.01910	0.7
71.01385	3.3
75.62196	0.6
83.01388	0.9
85.02982	3.5
87.00896	1.2
89.02453	1.0
93.03469	9.5
94.03815	0.6
96.96015	3.2
99.00919	0.6
101.02451	1.0
104.47495	0.5
107.01412	2.9
109.02967	3.0
111.04540	1.2
120.99649	1.3
121.02975	3.5
133.02975	5.8
134.03726	0.7
135.04506	4.4
137.02443	1.2
147.00974	0.7
148.01714	0.6
149.02477	0.6
149.06085	0.6
150.03246	0.7
151.00386	10.6
155.03514	0.6
159.03009	0.8
161.02492	3.3
163.04036	0.6
171.04520	1.0
173.04587	7.6
177.05547	0.9
178.99928	3.0
179.03471	1.2
187.04166	0.7
191.05632	22.0
192.05922	1.1
193.01360	0.6
199.04028	3.0
201.01878	0.8
203.03581	0.7
205.05042	0.7
215.03493	0.9
216.48811	0.5
226.02771	0.7
227.03487	3.3
229.01494	0.8
237.05846	0.7
238.20682	0.6
243.02956	5.9
253.05016	0.6
255.03061	8.7
263.30182	0.6
271.02536	72.8
272.03125	1.3
281.04440	1.0
287.09399	1.3
297.04114	0.7
299.02020	100.0
300.02792	41.7
301.03598	40.7
301.07120	0.9
351.06992	1.2
354.07169	0.8
383.07794	2.3
504.08923	1.0
505.10065	1.0
529.12976	0.9
557.13043	1.3
562.13641	5.5
609.14771	17.5
636.38214	0.7
679.18262	0.9
813.20642	6.5
853.24762	1.2
868.49127	0.7
871.25299	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	100.0
71.01392	2.2
72.01737	0.2
72.72039	0.1
73.02965	0.9
73.18050	0.1
83.01411	0.6
85.02954	1.5
89.02446	1.1
94.13599	0.1
96.96037	0.2
99.00872	0.2
101.02468	1.3
102.02785	0.2
113.02465	0.7
119.03457	0.1
125.02428	0.2
159.71239	0.2
191.05623	1.1
192.05994	0.2
201.91907	0.1
380.10046	0.2
485.32684	0.5
486.33148	0.6
677.34296	0.2
678.35175	0.2
749.17883	0.2
808.38971	0.2
809.38892	1.9
810.39197	3.5
870.38879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62924	0.4
65.15887	0.4
67.01907	0.9
69.93288	0.4
71.01385	3.9
73.02980	0.9
79.38286	0.4
81.03454	0.8
83.05019	0.8
85.02952	16.2
87.00869	5.9
88.43448	0.5
89.02451	1.9
91.15053	0.4
93.03455	14.7
95.05013	1.1
96.95997	0.6
99.04510	0.7
105.03459	3.6
109.02985	2.3
111.04533	3.4
113.02466	0.5
119.05016	1.1
121.02959	2.8
123.04456	0.7
127.04027	3.8
133.02953	21.9
135.04530	2.5
137.02501	0.5
145.02892	0.6
159.04485	3.8
161.02371	0.6
163.04008	1.9
171.03021	0.8
173.04526	9.5
176.90402	0.5
177.01947	6.3
179.03525	0.8
191.05626	100.0
192.05936	0.9
193.06046	0.5
203.03595	1.1
215.05531	3.2
237.05649	0.6
249.05727	0.7
250.65440	0.6
253.05106	2.2
263.03497	3.5
264.04279	1.9
265.05103	1.8
266.05856	2.9
267.06503	1.0
269.08084	0.5
277.05096	0.9
279.03015	2.4
279.83685	0.5
280.03934	2.6
281.04614	6.5
281.07559	0.8
285.28583	0.5
291.03088	2.3
292.03845	1.8
293.04565	4.9
294.05270	2.3
295.05905	0.8
296.06992	3.4
306.05322	1.8
307.02579	1.6
307.05789	0.8
308.03336	4.9
308.06589	1.1
309.04034	3.5
309.07684	4.4
310.07956	0.7
311.09286	3.2
313.10852	0.5
323.05573	5.2
324.06488	3.2
335.05658	0.9
337.09418	2.8
338.07977	6.7
338.20959	0.5
339.08768	10.7
350.04440	0.9
351.07272	10.6
355.08322	0.9
365.06754	2.9
371.09946	1.9
383.07654	1.0
425.08969	0.9
635.20026	2.7
635.84882	0.5
679.18927	40.3
697.19531	0.8
763.95282	0.5
779.82031	0.6
871.25250	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	869.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	12.3
84.02190	2.5
85.02959	2.9
89.02425	17.4
96.96065	2.0
97.06635	10.8
101.02454	12.7
107.40267	1.9
110.03768	23.9
113.02447	8.0
119.03512	5.0
125.02459	8.9
135.08226	3.1
153.09250	26.2
165.09261	5.1
179.05615	11.3
182.09526	2.7
191.05600	3.1
221.06659	2.9
230.28120	2.0
323.09967	29.1
367.26413	5.0
439.32355	4.6
485.32806	100.0
775.04993	2.7
809.43610	27.0
817.13110	2.5
861.50348	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	869.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98856	0.4
64.64129	0.3
68.79886	0.3
71.01383	3.5
73.02960	1.3
75.55345	0.3
83.01376	0.3
84.21749	0.3
85.02972	1.3
89.02432	3.8
89.47053	0.3
93.03490	0.6
99.00870	0.3
101.02431	2.8
103.56541	0.3
113.02458	1.9
119.03510	2.2
125.02404	1.1
135.04523	0.5
145.03001	0.3
160.01752	0.3
161.02321	0.3
161.04524	0.5
163.95238	0.3
173.04587	0.3
178.95601	0.3
179.03558	0.4
179.05585	1.9
182.84827	0.3
191.05646	1.6
221.06639	1.3
323.09879	4.5
391.30423	0.3
396.45679	0.3
485.32816	100.0
486.32684	2.1
809.43408	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	869.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79345	0.3
60.99305	1.7
61.98840	1.7
67.01907	2.0
69.03460	3.9
71.01382	36.2
72.99320	0.7
73.02950	14.3
75.00879	1.8
75.19063	0.4
78.47794	0.3
81.03468	3.2
83.01387	5.9
83.05056	2.4
84.02212	0.4
85.02954	17.3
87.00861	3.6
89.02446	18.6
92.10783	1.3
93.03460	16.0
94.31979	0.4
95.01376	2.9
95.05036	2.1
97.02956	4.2
99.00882	11.8
99.04525	0.8
101.02443	27.4
108.02163	0.6
109.02965	2.8
111.00912	1.7
111.04548	3.0
113.02456	13.0
115.04038	3.9
116.92864	3.9
119.03485	2.0
121.02969	5.3
123.04539	2.4
125.02444	6.3
127.03986	0.5
129.01923	1.9
131.03523	3.2
135.04526	1.8
143.03511	2.1
145.43015	0.5
149.04623	1.9
149.06097	1.9
155.03574	0.5
159.02992	0.7
161.04562	4.5
165.01933	1.4
173.04587	7.2
173.06032	0.8
174.04918	0.5
175.03723	0.5
179.03531	0.8
179.05606	2.6
180.04216	0.5
181.05081	0.5
188.63014	0.4
191.05626	7.1
195.06662	0.6
199.07544	0.5
221.06728	0.5
225.07552	0.5
233.06766	4.5
240.58134	0.4
293.08875	1.7
367.30142	0.8
417.15469	0.5
439.32074	0.8
441.30048	1.6
485.32816	29.0
497.29358	1.8
510.98383	0.4
515.30194	13.3
607.36743	0.8
651.35309	0.8
677.35669	6.2
791.38977	5.1
809.39844	100.0
810.40393	3.8
810.53522	0.5
813.03534	0.4
869.39850	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	869.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17109	0.8
61.98842	5.2
63.00684	1.0
67.01888	1.2
68.29365	0.9
69.03474	1.7
69.06000	0.9
71.01381	35.0
73.02952	13.9
75.90675	1.0
81.03455	1.4
83.01396	7.4
85.02950	22.3
87.00890	2.4
89.02457	15.8
93.03459	8.3
95.01409	2.3
97.02961	1.5
99.00867	8.2
101.02441	26.5
109.02977	2.1
111.04508	2.1
113.02454	10.9
115.04009	1.5
119.03524	1.8
119.05022	1.3
125.02428	6.0
126.17462	1.1
131.03540	2.1
135.04526	10.4
143.03488	1.8
155.03455	1.3
158.40384	1.0
159.02991	1.5
161.04555	7.0
173.04565	14.2
174.04851	1.6
177.02046	1.1
179.03506	6.9
179.05579	1.1
191.05623	37.6
192.05952	6.6
193.06099	2.0
233.06622	3.8
236.89113	1.1
249.80246	1.2
256.06784	1.1
353.08875	5.8
354.09286	1.8
367.80161	1.1
388.84421	1.1
418.70956	1.2
423.32733	2.2
439.32343	1.2
455.31757	6.2
485.32855	19.1
497.29242	10.0
651.34283	1.8
659.34332	8.1
791.38788	100.0
809.42084	2.2
869.39056	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	869.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.2
63.34716	0.9
63.67996	0.9
69.03472	2.3
71.01382	37.8
73.02948	15.7
81.03467	1.2
82.03738	0.9
83.01406	6.0
83.05032	2.3
84.02239	1.0
85.02957	19.6
87.00855	3.3
89.02444	16.9
93.03478	7.0
95.01379	1.8
96.96053	0.9
97.02974	4.1
99.00877	11.1
99.23753	1.0
101.02444	24.9
111.03886	1.0
111.04519	7.8
113.02467	14.2
115.04034	5.4
119.03449	1.3
121.02981	6.6
123.04535	1.4
125.02430	7.2
131.03442	1.8
134.03665	1.1
135.04504	1.2
143.03520	2.3
149.04485	1.4
149.06085	3.7
159.03058	1.3
161.04568	4.1
166.20726	1.0
191.05602	6.1
233.06648	5.1
255.48575	1.1
293.08698	1.9
299.70148	1.0
371.22354	1.1
485.32700	6.5
515.30261	15.4
677.35394	5.0
809.39917	100.0
810.39709	2.3
869.41333	1.5
885.34534	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	869.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38095	0.3
69.70774	0.3
71.01382	3.2
73.02959	0.9
76.33769	0.3
79.75413	0.3
82.74689	0.4
85.02960	8.4
87.00867	3.6
89.02460	0.7
93.03446	5.3
96.96007	2.2
99.00829	0.4
101.02452	1.5
101.04317	0.6
109.02959	0.7
111.04534	0.4
113.02449	0.7
121.02962	0.9
127.04005	1.7
133.02957	2.4
134.03653	0.5
135.04510	2.0
137.02406	0.5
155.03465	0.4
160.01680	0.6
161.02422	1.6
165.02032	0.4
173.04550	2.6
177.01913	3.1
180.11339	0.4
191.05638	39.3
213.01996	1.6
221.06209	0.4
222.06863	2.5
228.68707	0.4
234.51317	0.4
237.05602	2.1
238.06451	1.7
249.05606	2.4
250.06390	2.9
265.05081	4.8
266.05875	9.6
268.07523	0.4
277.04956	0.6
279.06546	0.7
292.03888	1.5
293.04596	7.1
294.05389	22.2
294.53412	0.4
295.06024	1.6
296.06964	0.5
307.06415	3.4
308.07013	3.5
309.04382	0.6
309.07571	3.0
310.04898	0.6
321.04150	0.7
325.07294	0.7
335.05539	0.8
336.06467	1.9
338.04385	16.0
339.04892	0.9
351.11282	1.9
352.05701	0.8
353.06726	100.0
354.07037	2.0
367.08191	1.7
380.05533	4.0
383.07819	0.5
384.08093	0.4
395.07800	43.0
396.08200	0.6
425.08920	3.9
455.09918	13.8
497.11005	0.9
512.46722	0.5
515.12042	15.8
516.12457	0.5
527.12012	0.7
557.13232	0.9
636.79437	0.5
677.17371	52.6
678.18042	0.9
707.18433	0.9
869.23450	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	869.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99320	0.6
67.01910	2.6
69.03459	0.4
71.01383	6.3
72.49113	0.4
73.02964	1.8
77.50879	0.4
78.39638	0.4
81.03468	0.5
83.05050	0.8
85.02953	17.7
85.03461	0.7
87.00874	9.6
88.74176	0.4
89.02456	3.8
92.10412	2.1
93.03458	20.1
95.01397	0.5
95.12055	0.4
96.96024	2.3
99.00874	0.6
99.04519	0.5
101.02449	3.1
108.02166	0.9
109.02953	1.8
111.04534	4.3
113.02483	2.2
119.01382	0.7
119.03477	1.4
121.03003	0.5
127.04015	4.1
129.01961	0.5
133.02966	2.1
134.03741	0.4
135.04535	2.2
145.02998	0.7
149.62811	0.4
151.00450	0.6
152.01149	0.8
155.03514	1.6
161.02454	2.1
162.19896	0.5
167.03526	1.8
171.03055	0.6
171.04422	0.4
173.04575	9.1
174.03169	0.6
175.04019	0.9
177.02023	0.6
179.03493	0.5
185.02470	1.9
186.03242	0.6
191.05641	100.0
192.05969	0.8
197.67743	0.4
209.06024	0.5
217.01393	2.3
219.04494	0.5
221.06175	2.0
222.06885	0.8
223.07733	0.5
229.01474	0.5
235.04050	0.7
236.04855	0.9
237.05693	2.8
238.06416	2.0
247.04115	0.7
248.04814	3.7
249.05589	2.4
250.06464	2.5
251.07097	0.7
263.03638	0.9
264.04428	3.8
265.05057	4.1
266.05890	15.3
267.02939	0.4
267.06583	2.4
275.03485	0.8
276.04303	3.1
277.05075	2.8
279.03082	0.6
280.03622	0.5
280.07043	0.6
281.08081	3.2
291.03052	0.7
292.03867	5.7
293.04581	17.0
294.05402	32.0
295.02786	0.4
295.06137	2.9
295.72446	0.4
296.03290	0.6
297.04083	0.9
297.07535	0.6
307.06235	2.2
309.04288	1.1
309.07779	10.7
309.11343	0.8
310.05035	0.8
311.05536	0.8
319.02817	0.5
320.03305	8.1
324.06543	0.5
325.07278	2.4
327.08582	0.5
335.05682	23.4
335.09781	0.7
336.06116	0.5
337.07217	0.6
338.04367	4.9
339.05185	9.6
339.08850	1.7
341.03156	0.7
351.01608	2.1
351.07214	0.5
353.06738	76.7
354.07135	0.7
383.07813	0.9
395.07794	4.4
497.10992	2.0
527.12079	41.2
528.11926	0.7
531.15363	0.7
557.13025	1.8
647.16431	0.7
677.17383	26.3
707.18512	8.1
869.23773	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	869.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15019	0.4
63.19487	0.5
67.92294	0.5
71.01385	3.8
81.03467	0.6
85.02948	15.5
87.00873	5.1
89.02419	3.7
93.03438	7.5
96.95995	2.1
99.00894	0.5
99.04497	0.5
99.10032	0.5
101.02442	1.8
101.14740	0.5
103.80374	0.5
108.02155	0.8
109.02964	2.1
111.04515	1.3
113.02474	0.7
119.05054	0.6
121.02966	1.2
122.98300	0.5
123.04556	1.0
127.04005	3.9
133.02975	0.8
134.03738	0.9
135.04529	1.1
136.01717	0.9
137.02483	0.5
151.00349	0.7
151.04022	1.1
155.03502	0.7
159.04497	3.1
160.01672	0.6
161.02460	1.1
163.04070	0.7
171.03055	0.8
173.04565	3.4
175.04045	1.0
179.03534	0.6
185.02446	0.9
189.01920	0.6
190.02750	1.2
191.05638	100.0
192.05946	0.6
193.05078	1.2
203.03568	2.2
205.05093	1.0
217.34256	0.6
223.06073	0.6
229.01378	0.6
236.04762	0.6
237.05568	3.6
247.03888	0.9
248.04730	0.7
249.05550	1.1
252.04095	0.5
254.19402	0.5
263.03473	0.7
264.04349	6.2
265.05063	7.4
266.05865	10.0
267.06613	3.2
268.07458	2.5
275.03479	0.7
276.04343	4.3
277.05130	2.3
280.07520	0.6
281.08145	4.3
283.09805	2.5
292.03870	3.1
293.04596	16.9
294.05405	11.8
297.64059	0.5
307.06055	3.9
308.06970	10.8
309.07727	18.0
311.09290	0.6
320.03384	1.2
325.07260	2.5
327.08878	1.2
335.05618	9.4
338.04486	0.8
339.04868	0.6
353.06696	18.6
363.16501	0.6
367.08499	0.6
369.09949	0.9
395.07730	5.1
425.08994	0.8
455.10165	2.2
497.11569	0.7
515.12305	0.7
527.12164	4.5
534.12360	0.7
547.16870	1.2
549.68097	0.6
557.13367	0.7
633.18610	0.7
677.17407	32.6
695.18256	1.0
707.19122	1.8
869.24139	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	869.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98858	0.6
67.01903	0.5
70.41687	0.4
71.01398	3.7
73.02956	0.5
76.00109	0.4
80.70757	0.4
80.99054	0.4
85.02962	8.1
87.00880	3.8
89.02444	2.0
93.03468	5.8
96.95999	1.7
99.00887	0.8
101.02464	1.5
109.02982	0.7
111.04539	1.5
113.02507	0.6
121.02943	0.5
126.05330	0.4
126.85042	0.4
127.04041	1.8
131.08014	0.3
133.02979	3.7
135.04575	0.9
137.02501	0.8
145.03030	0.4
151.04039	0.4
155.03456	0.5
160.50441	0.4
161.02417	1.3
171.03021	0.4
173.04544	3.0
175.03972	0.5
177.01967	2.9
179.03391	0.5
182.08188	0.4
191.05650	40.0
192.05989	0.6
213.01938	1.5
221.06073	1.8
222.06772	1.7
237.05534	1.5
238.06311	1.9
249.05666	3.2
250.06377	4.2
265.05109	5.3
266.05902	9.3
267.06360	0.4
276.04361	0.5
278.05927	0.5
279.06494	0.6
280.07382	0.6
292.03876	1.4
293.04633	8.0
294.05392	24.6
295.06003	1.6
307.06000	3.9
308.06812	4.0
309.07730	3.1
310.04636	0.8
321.03784	0.7
325.07047	0.8
335.05753	0.9
336.06412	1.7
338.04382	15.4
351.11237	2.5
352.05890	0.5
353.06732	100.0
354.07043	2.3
367.08179	1.6
380.05292	3.3
383.07758	0.6
395.07803	45.7
425.08948	4.9
455.09924	13.6
497.10934	0.5
515.12018	17.5
555.75232	0.4
557.13116	0.9
607.65845	0.5
617.14532	0.4
677.17413	60.9
678.17438	1.5
707.18762	0.5
869.23346	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	869.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89541	0.3
67.01905	0.5
71.01380	3.3
73.02945	0.5
75.15157	0.3
77.34645	0.3
78.63572	0.3
81.03468	0.6
83.05046	0.4
83.44474	0.3
85.02953	17.4
87.00868	4.3
87.01294	0.3
89.02456	0.6
93.03457	7.6
96.96020	0.7
99.00876	0.3
99.04503	0.7
101.02454	1.3
101.06102	1.1
105.37617	0.3
108.02154	0.3
109.02951	1.5
111.04540	1.7
113.02458	1.3
121.02932	1.5
123.04537	0.5
127.04001	3.6
133.02988	0.4
134.03725	1.9
135.04535	0.5
136.01698	0.5
137.02458	0.5
138.53348	0.3
146.03738	0.6
149.06091	1.6
151.04036	1.2
156.92059	0.3
159.04510	3.3
161.02505	0.4
161.04573	0.3
163.46791	0.3
171.03030	1.2
173.02559	0.4
173.04529	2.6
178.02626	0.3
187.04062	1.4
189.01967	0.6
191.05637	100.0
192.06026	0.6
193.05023	0.7
203.03558	2.1
211.31651	0.4
215.03358	0.4
219.61238	0.3
222.06848	0.3
224.04732	0.4
236.04750	1.3
237.05620	3.0
238.06352	0.6
247.04068	1.3
248.04836	1.5
249.05643	1.9
251.03429	0.6
253.03537	0.4
261.05539	0.5
263.03516	1.7
264.04303	6.4
265.05087	7.7
266.05865	11.6
266.08780	0.7
267.06689	3.6
268.07416	1.7
275.03522	0.7
276.04282	3.1
277.05090	2.5
278.05756	0.4
279.06741	1.5
280.07465	0.6
281.08185	4.5
282.08780	0.3
283.09744	2.5
291.06567	0.5
292.03790	4.8
293.04614	17.6
294.05316	9.3
295.06076	0.4
307.06033	3.3
308.03564	0.6
308.06915	14.5
309.07730	20.5
311.09116	0.4
311.95566	0.3
320.03159	1.2
325.07254	1.6
327.08856	1.4
335.05704	8.2
339.08716	0.5
351.13080	1.4
353.06635	4.2
367.08234	0.6
369.09793	2.7
395.07809	5.4
425.08777	1.3
455.10083	2.0
471.13120	0.3
473.17181	0.8
497.11163	1.3
515.12036	1.8
527.11865	0.4
617.15009	0.6
633.18524	1.4
647.16565	0.5
677.17389	55.4
678.17371	2.5
695.18500	2.0
869.23425	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	868.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
66.75204	0.3
68.51886	0.3
78.54443	0.3
152.28790	0.3
158.19824	0.4
277.21661	1.6
278.22064	1.6
279.22421	0.5
309.20792	0.6
310.20987	0.5
339.14417	0.3
412.26157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
105.76686	0.3
116.92915	0.7
147.56804	0.4
163.99614	0.4
210.49579	0.4
215.93208	0.4
223.63506	0.4
233.45752	0.3
239.71457	0.3
249.32327	0.3
251.31978	0.5
255.59665	0.3
277.21667	2.6
278.22089	1.6
279.22342	0.9
309.20834	0.5
316.36407	0.5
427.55219	0.5
551.01038	0.4
635.89728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34086	0.1
71.01392	0.3
79.95731	2.3
85.02963	0.6
87.00902	0.2
89.02457	0.2
92.10160	0.4
96.96013	100.0
117.94017	0.1
119.05004	0.2
120.88613	0.1
147.04578	0.3
152.56390	0.2
173.04533	0.2
191.05629	3.0
226.46483	0.2
229.01355	0.2
264.04358	0.2
266.05908	0.2
271.02585	2.2
293.04736	0.3
299.01996	4.6
300.02805	1.7
301.03516	1.8
309.07755	0.7
327.10703	0.2
339.23145	0.2
353.06592	0.4
369.09470	0.2
398.53476	0.2
437.75357	0.2
462.08429	0.6
515.11517	0.2
525.11560	0.1
609.15234	0.2
677.17310	0.7
690.25885	0.2
771.06317	0.3
771.19604	2.3
789.72021	0.2
869.22992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98853	7.3
67.01884	1.2
68.99844	1.2
69.03461	2.5
71.01384	32.7
73.02943	15.4
75.00874	1.3
78.29425	1.0
81.03474	1.3
83.01405	5.6
83.05029	1.7
84.02236	1.5
84.61311	1.1
85.02950	25.1
85.03378	1.3
87.00873	2.4
89.02441	17.1
89.89690	1.0
93.03495	1.4
95.01398	2.1
96.96070	1.4
97.02950	2.3
97.42115	1.2
99.00877	11.4
101.02444	24.4
111.04566	5.4
113.02460	9.2
115.04028	5.3
125.02438	7.9
135.04523	15.1
149.04677	1.4
161.02533	1.4
161.04610	2.8
161.06035	1.5
161.88763	1.1
173.04515	4.9
175.07610	1.9
179.03464	9.7
191.05632	28.2
193.65913	1.4
196.46295	1.2
200.06010	1.1
233.06660	2.1
293.08719	1.3
343.73117	1.4
348.32938	1.3
351.19760	2.2
353.08807	11.2
369.21054	1.6
483.31265	5.9
495.27753	2.4
513.28741	7.4
562.78082	1.4
569.27173	2.0
675.33948	8.4
789.36047	1.5
807.38275	100.0
867.39221	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	867.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99318	4.3
61.98827	4.9
67.01891	12.8
69.03466	3.1
71.01384	8.6
72.66044	0.5
72.71429	0.6
72.99314	0.8
73.02927	0.9
80.21080	0.5
81.03450	4.4
83.01376	0.7
83.05040	4.0
84.02164	0.6
85.02948	12.0
87.00873	18.9
88.98827	0.8
89.02467	2.7
92.10839	1.2
93.03455	100.0
95.01393	0.7
99.00919	1.4
101.02455	2.9
108.02167	0.9
109.02962	31.5
109.03688	1.4
111.04527	17.0
113.02479	1.1
119.03525	0.8
119.04991	0.6
121.02955	1.2
127.04024	1.5
129.01956	2.6
133.02985	0.9
135.04509	8.4
137.02425	1.2
151.60899	0.7
155.03514	8.8
159.04428	0.8
161.02437	2.7
163.11279	1.3
170.02052	0.6
173.04561	36.6
173.05937	1.3
179.03491	7.3
191.05632	87.6
199.07619	1.6
209.11862	18.0
227.12798	1.5
316.20380	0.9
353.08899	7.4
397.13571	4.5
408.01041	0.8
415.14642	1.4
470.29358	0.8
483.31149	7.5
539.30823	1.3
576.35431	0.8
605.34985	2.6
649.33929	8.0
675.31891	0.9
693.33264	1.5
711.65698	0.7
867.38208	86.5
868.38373	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	867.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97457	0.3
63.94619	0.3
65.80820	0.3
67.01901	0.4
68.99829	0.3
69.03467	2.4
71.01388	34.9
72.99320	1.2
73.02953	15.3
73.03358	0.6
75.00885	2.0
78.88435	0.2
78.94048	0.3
81.03481	2.0
83.01398	6.8
83.05031	2.1
83.60392	0.2
84.02172	0.4
85.02966	18.4
87.00893	1.7
89.02448	11.6
93.03458	1.4
95.01401	2.3
97.02953	4.2
99.00887	9.1
99.04540	1.0
101.02448	22.0
102.64519	0.3
109.02966	1.2
111.00903	1.1
111.04536	2.4
113.02461	9.8
115.04037	4.2
117.07105	0.5
119.03462	0.3
121.02962	1.2
123.04510	0.4
125.02454	5.5
129.01921	0.4
131.03490	2.9
131.08664	0.3
135.04515	0.3
135.56149	0.3
143.03548	2.0
149.04585	0.6
159.02975	1.5
160.05319	0.4
161.04562	4.5
161.06079	3.1
171.39728	0.3
173.04503	0.3
175.07637	3.9
191.05678	3.2
192.60049	0.3
233.06616	3.1
256.67657	0.3
293.08716	1.9
351.19690	1.7
369.20554	1.3
416.73447	0.3
467.27945	0.5
469.30215	0.3
474.26743	0.3
480.24933	0.6
495.27606	3.4
513.28705	10.7
675.34052	10.6
789.37000	1.4
807.38220	100.0
808.38617	2.7
867.38708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.4
62.85369	0.2
63.99313	0.2
64.35397	0.2
67.01878	0.2
71.01381	2.0
73.02947	0.3
78.52715	0.2
81.03477	0.4
83.01416	0.4
83.05031	0.9
85.02950	8.9
87.00875	1.7
89.02426	0.3
93.03452	4.9
95.01379	0.3
99.04541	0.2
101.02443	0.6
107.05065	1.1
109.02957	4.0
111.04531	2.8
113.02432	0.5
125.02578	0.3
125.88746	0.2
127.04007	2.6
129.01973	0.3
133.02962	1.9
134.03761	4.0
135.04527	66.4
137.02438	0.5
155.03508	2.4
159.04248	0.3
161.02451	5.3
171.03064	0.4
173.04568	5.6
177.01930	0.3
179.03503	48.8
191.05627	100.0
192.06021	2.1
199.07622	2.2
267.71649	0.2
270.10840	0.3
353.08847	36.3
483.31375	0.3
505.17850	0.3
515.89282	0.2
602.35559	0.3
605.35126	1.5
649.33893	7.8
650.34351	0.3
693.32928	5.3
831.45587	0.5
867.38153	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	867.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99325	0.2
61.30285	0.1
61.30691	0.1
61.98837	1.3
65.03973	0.1
67.01893	0.9
69.03459	0.2
71.01387	1.1
72.78444	0.1
73.02948	0.2
79.12785	0.1
81.03477	0.5
83.01392	0.1
83.05055	0.4
85.02959	6.9
85.44585	0.1
87.00880	2.3
92.10085	0.2
93.03459	9.1
98.53709	0.1
99.00929	0.2
99.04518	0.2
99.07348	0.1
101.02467	0.2
106.45580	0.1
109.02954	1.8
111.04535	2.1
113.02456	0.1
115.04025	0.1
115.28203	0.1
127.04021	2.0
129.01903	0.1
133.02954	1.0
134.03729	0.1
135.04530	4.5
137.02451	0.6
138.30064	0.1
155.03523	0.9
161.02461	3.7
171.03029	0.7
173.04576	6.7
173.05984	0.3
179.03510	3.5
191.05650	100.0
192.05983	0.6
192.63080	0.1
199.07683	0.8
206.51762	0.1
217.05008	0.1
353.08853	9.4
390.95834	0.1
443.26120	0.1
605.35132	0.8
649.34235	1.1
693.32397	0.7
867.38239	9.0
868.37616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52857	0.4
71.01395	3.1
72.62714	0.6
73.02934	0.8
84.76075	0.5
85.02968	0.9
85.84289	0.5
89.02469	2.1
90.60252	0.5
92.10107	1.5
97.02950	4.4
97.06623	1.3
101.02442	4.4
109.06618	0.8
111.04540	1.1
113.02482	1.2
119.03545	0.6
123.08123	0.6
127.07628	0.6
137.09616	0.8
152.56380	0.5
157.53502	0.6
160.27689	0.5
161.04613	1.2
171.10242	2.7
183.13823	3.8
195.13922	3.1
211.13380	1.0
225.15016	0.7
232.55157	0.6
233.15562	2.0
235.08226	4.6
251.16563	1.2
253.09291	8.4
273.18625	0.9
277.21771	100.0
278.22125	1.1
291.19714	18.3
309.20795	46.6
527.28448	0.7
545.29639	0.9
569.42877	0.6
615.00385	0.7
772.10925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55448	1.0
70.36813	0.9
71.01396	15.4
72.99337	1.2
73.02952	6.0
75.48864	1.1
85.02964	6.0
87.00878	1.8
89.02449	22.0
93.03447	9.6
96.42589	1.2
96.96028	2.1
97.06622	1.1
99.00884	8.1
101.02422	10.0
111.04572	1.1
113.02504	1.8
119.03528	2.0
123.04706	1.2
127.07690	1.4
131.03534	2.1
131.36584	1.2
137.02448	2.6
143.83145	1.1
149.04556	7.4
155.10818	4.2
165.02026	1.5
173.04604	2.5
191.05643	32.2
192.06052	4.9
195.06570	1.6
239.01509	1.4
280.03915	1.6
328.44659	1.1
396.99606	1.2
415.16226	22.1
430.94846	1.4
449.14590	2.9
450.15161	1.8
451.13855	100.0
451.21597	4.9
581.51605	1.3
702.87140	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	867.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	0.4
61.98826	0.6
67.01902	0.5
67.05511	0.3
71.01395	1.9
78.36256	0.4
83.05003	0.4
85.02953	8.3
87.00891	1.7
89.02467	0.5
92.10126	0.6
93.03460	8.7
96.96037	0.9
109.02971	2.0
111.04524	1.8
125.02516	0.3
127.04011	2.0
129.02034	0.3
133.02971	1.4
134.03751	0.6
135.04532	10.1
135.61353	0.4
143.03407	0.4
155.03555	0.7
156.00177	0.4
161.02457	4.0
171.03113	0.5
173.04570	6.6
179.03516	7.6
191.05637	100.0
210.28383	0.4
211.13460	0.4
306.47055	0.4
353.08868	6.3
437.30643	0.4
483.31274	2.5
509.88004	0.4
545.47449	0.4
605.34821	0.4
638.71478	0.4
649.33423	0.8
675.32001	0.5
730.09424	0.4
867.38031	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	865.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	11.4
71.01775	0.4
72.99321	2.1
73.02959	0.5
76.72474	0.3
83.01418	0.4
85.02959	2.7
87.00899	0.5
89.02449	13.4
90.33470	0.3
92.10111	0.8
95.01405	0.5
96.52936	0.3
101.02445	8.8
108.71815	0.3
113.02460	4.7
119.03490	6.1
119.05028	2.8
121.02983	0.4
125.02441	0.3
131.03502	0.5
147.04533	78.6
148.04831	0.4
149.04526	0.5
149.06056	0.4
165.05577	12.1
182.00475	0.5
191.05612	1.6
193.05046	0.4
197.02884	0.5
272.78021	0.3
327.10898	100.0
328.11267	0.6
371.09729	0.6
408.30151	0.4
740.20831	0.4
863.48224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70937	2.2
66.17941	1.8
71.75636	1.7
76.06917	2.1
79.91138	2.1
92.10728	3.9
96.86002	1.9
96.99329	3.1
130.33241	2.1
141.01711	100.0
159.08643	1.9
188.22430	2.1
209.11839	35.2
227.13008	3.4
231.09952	3.5
277.21838	23.3
283.74808	2.2
359.22058	4.4
513.31207	2.0
608.46851	2.1
637.55560	2.6
733.48755	2.6
743.28180	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	865.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	3.7
73.02966	0.5
77.35149	0.4
78.14102	0.5
83.65542	0.4
85.02953	0.9
87.00894	0.7
89.02457	2.8
92.10789	1.3
97.02991	0.6
101.02446	4.0
111.08163	0.9
113.02456	2.1
122.02003	0.5
122.20119	0.4
145.05107	0.5
155.73875	0.4
161.04555	1.7
171.10239	3.3
195.13799	0.4
197.11850	6.9
199.13472	0.6
207.13954	0.8
209.15520	4.3
211.13417	2.4
221.15533	0.6
221.25017	0.6
223.17078	0.7
225.15022	6.0
233.15570	1.0
235.08269	5.9
251.16518	2.4
253.09288	10.8
273.18658	0.8
277.21735	100.0
278.22144	1.7
291.19666	8.7
309.20755	22.3
316.21591	0.4
323.22427	0.5
526.46356	0.4
865.50049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	8.4
69.03487	1.5
71.01389	54.8
71.26199	1.4
71.61593	1.4
72.28739	1.7
72.99349	2.4
72.99754	1.4
73.02975	13.6
76.57749	1.6
76.62520	1.5
79.10637	1.9
83.01415	9.4
84.80092	1.6
85.02960	30.3
87.00891	7.0
89.02454	44.8
92.10802	4.8
93.03483	2.5
96.95989	1.7
99.00896	11.6
101.02450	36.8
113.02470	30.2
119.03503	11.5
130.99832	1.9
131.03503	3.5
133.02974	3.1
135.04568	4.2
143.03502	2.3
161.02428	7.7
161.04617	7.5
177.01932	16.2
179.05640	2.3
191.05661	10.2
221.06641	7.2
233.06659	2.0
263.07748	2.9
297.09122	1.9
641.35699	4.3
803.40723	100.0
863.33112	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	863.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74573	1.9
71.01385	16.1
73.02966	2.1
81.96767	1.7
83.01391	2.3
83.05032	2.8
85.02963	2.6
87.00876	2.9
89.02441	19.4
92.10270	1.8
97.02980	2.1
101.02477	13.6
113.02456	8.4
119.03519	2.6
125.02467	7.2
127.82909	1.7
141.01770	2.0
142.87067	2.0
146.14645	1.9
146.70244	2.1
192.87796	2.1
209.11873	100.0
225.30383	2.5
227.12892	9.6
235.08165	3.3
255.23341	70.3
304.46429	1.9
305.08865	2.6
336.20184	1.9
379.12375	4.1
382.28940	2.2
397.13586	47.1
415.14679	7.7
476.96432	2.0
481.32834	1.9
512.69189	2.3
744.89807	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	863.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13287	0.3
61.98832	2.5
69.03470	1.3
71.01382	40.7
72.99316	2.2
73.02943	11.7
75.00877	0.7
75.34241	0.4
83.01398	6.8
85.02448	0.7
85.02956	19.7
87.00871	3.5
89.02444	18.1
95.00880	0.3
95.01373	2.8
97.02957	3.6
99.00881	5.9
101.02442	37.2
110.69143	0.3
111.00903	0.5
111.53362	0.3
113.02457	18.9
119.03510	6.4
125.02441	7.2
129.01933	0.7
131.03508	1.8
139.04091	0.4
143.03589	2.5
149.04631	0.4
154.03314	0.4
159.02997	2.8
161.04565	10.8
163.98459	0.3
179.03534	0.4
179.05620	1.8
191.05682	1.3
203.38162	0.4
221.06674	1.8
232.78026	0.4
245.06630	0.6
479.30264	2.6
641.35449	13.2
803.40857	100.0
804.40942	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	863.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.6
69.03476	2.6
71.01393	30.2
71.63479	0.4
72.99311	2.0
73.02960	13.2
74.80457	0.5
75.00876	1.8
80.04726	0.5
81.03467	3.7
83.01394	5.3
83.05045	2.5
85.02964	16.0
85.03461	0.7
85.59054	0.4
87.00885	41.2
88.98824	0.8
89.02450	28.7
92.98174	0.5
93.03462	2.8
94.67358	0.5
95.01391	2.3
96.35258	0.4
96.96033	0.6
97.02960	4.9
99.00880	15.5
99.04537	3.0
101.02451	18.2
103.04083	0.6
109.02984	3.6
111.00890	2.7
113.02454	8.0
115.03985	5.0
119.03527	0.6
125.02453	7.8
127.04019	6.4
129.01979	1.0
131.03506	2.8
133.02979	0.6
134.03773	1.0
135.04515	2.9
136.01694	0.7
137.02432	0.6
137.09767	0.4
141.01941	2.9
143.03491	1.8
145.05095	0.8
149.04596	3.7
149.92352	0.5
154.01733	0.5
155.10754	0.8
159.02901	1.1
160.01637	0.6
161.02438	1.8
161.04585	1.9
173.04565	4.3
173.71446	0.4
174.04846	0.5
175.04027	1.7
179.03490	3.1
191.05620	10.3
193.05023	0.4
212.05159	0.5
233.06670	5.1
259.37671	0.5
271.09741	0.6
291.07147	1.4
291.23340	0.8
293.08755	1.9
349.23846	4.3
353.08707	1.1
503.33978	2.6
508.30396	0.7
509.31427	4.7
552.29645	0.5
563.32428	0.9
581.33423	2.9
641.32355	0.6
671.36475	2.9
803.40826	100.0
804.41199	2.1
863.41943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24737	2.6
69.70985	3.2
71.63537	3.1
72.99296	3.8
87.00897	60.0
89.50534	3.4
96.96042	38.4
99.33015	3.2
100.02531	3.5
103.00394	58.5
104.20887	3.0
121.02965	100.0
130.99890	36.6
151.00328	4.0
152.44380	4.0
173.11885	5.8
178.99979	3.4
249.01802	3.6
253.03568	68.6
253.07445	33.8
255.02991	7.3
271.02490	26.8
297.78738	3.8
300.02841	72.8
301.03503	26.3
543.20081	3.7
606.44946	4.3
609.14917	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03499	0.1
71.01391	2.7
72.99305	0.1
73.02951	1.4
85.02959	0.4
89.02450	7.2
92.10820	0.2
93.03454	0.2
99.00884	2.8
101.01850	0.2
101.02446	2.0
113.02457	0.6
115.94382	0.1
117.03517	0.1
119.05029	100.0
120.05346	0.9
125.02450	0.4
131.03525	1.0
133.06502	0.1
149.04549	2.0
163.04022	78.0
164.04381	0.5
191.05580	1.0
233.31047	0.1
325.09332	14.3
467.38098	0.1
537.25598	13.1
538.26190	0.2
697.86719	0.1
775.10645	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	863.356
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56499	0.1
63.33273	0.1
67.12745	0.1
71.01382	2.7
72.99294	0.1
73.02946	1.0
76.98528	0.1
85.02486	0.1
85.02975	0.4
89.02439	5.8
93.03456	0.1
96.96046	0.1
99.00887	2.5
101.02445	1.7
113.02455	0.4
117.03470	0.1
119.05024	100.0
120.05341	1.1
121.02991	0.1
125.02467	0.3
131.03494	0.8
149.04559	1.6
161.04585	0.1
163.04018	70.1
164.04320	0.9
165.04399	0.1
179.05588	0.1
191.05556	1.0
192.00226	0.1
205.05139	0.1
251.07634	0.1
270.43741	0.1
275.75546	0.1
293.09012	0.1
325.09329	12.4
326.09665	0.3
327.10117	0.1
519.24506	0.1
537.25623	13.2
538.26166	0.1
581.84637	0.1
651.65906	0.1
721.66284	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	863.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	8.4
69.03487	1.5
71.01389	54.8
71.26199	1.4
71.61593	1.4
72.28739	1.7
72.99349	2.4
72.99754	1.4
73.02975	13.6
76.57749	1.6
76.62520	1.5
79.10637	1.9
83.01415	9.4
84.80092	1.6
85.02960	30.3
87.00891	7.0
89.02454	44.8
92.10802	4.8
93.03483	2.5
96.95989	1.7
99.00896	11.6
101.02450	36.8
113.02470	30.2
119.03503	11.5
130.99832	1.9
131.03503	3.5
133.02974	3.1
135.04568	4.2
143.03502	2.3
161.02428	7.7
161.04617	7.5
177.01932	16.2
179.05640	2.3
191.05661	10.2
221.06641	7.2
233.06659	2.0
263.07748	2.9
297.09122	1.9
641.35699	4.3
803.40723	100.0
863.33112	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	859.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.9
66.06246	0.8
70.34843	0.8
71.01385	1.9
71.95674	0.8
73.30499	1.0
75.05739	0.8
80.76265	0.8
84.26081	0.8
85.02948	1.7
89.02454	1.7
99.08167	6.1
101.02436	3.5
113.02480	0.9
119.87302	0.9
127.11250	2.1
130.65817	1.0
161.42715	1.1
167.14386	1.1
171.10251	4.5
183.13940	6.9
191.05920	0.9
193.12450	1.3
193.24352	0.9
211.13437	35.2
229.14485	19.4
329.23383	100.0
493.72650	1.2
574.78088	1.0
799.47443	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	861.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68272	0.2
67.01897	1.0
68.99816	1.6
69.03454	1.5
71.01015	0.2
71.01382	9.9
72.99306	2.8
73.02942	1.6
75.00871	11.8
75.01302	0.4
79.31724	0.2
81.03455	0.8
83.01405	0.9
83.05003	0.3
84.56746	0.2
85.02953	15.1
87.00871	4.8
87.01373	0.3
89.02452	3.2
91.04011	1.0
92.10206	1.1
93.03451	1.8
95.01389	4.4
96.96012	3.4
97.02934	0.4
99.00879	8.3
101.02423	0.3
103.00372	1.3
103.04164	0.2
109.02943	0.4
111.00888	1.1
111.04528	0.3
113.02457	15.4
113.63445	0.2
115.00374	1.6
117.01948	3.0
121.02955	75.1
129.01921	1.5
157.01396	0.7
161.98502	0.2
175.02513	1.6
175.03737	0.2
189.04036	0.8
191.05672	0.4
231.05128	4.3
249.06184	39.6
250.06534	0.2
341.09149	7.2
353.08636	0.2
371.09885	100.0
372.10257	1.5
717.96588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11694	2.0
65.98055	2.0
76.58209	2.6
77.57724	1.8
79.69565	2.0
82.95412	25.5
84.00914	100.0
96.80855	2.1
99.90063	2.4
111.88342	2.3
144.15610	2.0
232.33598	2.1
260.51297	2.1
277.21777	93.8
277.38730	2.3
619.32922	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	859.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75856	0.3
68.99831	0.9
69.03460	1.7
71.01376	21.1
72.99293	4.5
73.02972	1.9
74.19742	0.4
75.00865	16.8
83.01405	0.9
85.02948	29.1
87.00870	10.5
89.02439	8.2
91.04012	0.8
91.05524	21.4
93.03447	0.7
95.01391	6.4
99.00871	10.9
101.02424	0.7
103.00386	2.5
109.03006	0.6
111.00911	0.7
112.01733	0.5
113.02450	39.2
115.00362	2.7
117.01938	3.9
117.03424	5.2
121.02972	1.4
124.84109	0.4
129.01933	3.4
131.03520	0.9
135.04510	10.3
149.04573	0.9
157.01442	0.6
175.02486	2.1
189.04109	0.5
191.05624	2.5
193.05035	0.4
198.93817	0.4
205.07198	2.2
207.05128	2.3
231.05074	1.5
249.06169	30.1
267.07233	74.0
271.02509	1.6
300.02518	0.6
334.21359	0.4
363.12985	0.5
383.42047	0.5
385.11444	100.0
386.11700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
92.02892	14.9
92.10104	52.6
116.92838	38.4
117.92797	15.1
125.60374	15.4
144.05414	16.4
209.70955	17.2
268.04291	19.2
277.21753	100.0
327.21829	88.0
698.53448	17.9
859.49060	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.8
71.01385	63.6
72.99310	3.5
73.02947	22.7
75.00887	0.6
81.03469	4.1
83.01404	11.6
83.05025	6.6
84.02164	0.8
85.02956	51.3
87.00858	5.1
87.83253	0.6
89.02448	23.6
95.01403	6.3
95.01923	0.8
97.02931	6.3
99.00886	8.6
101.02446	50.5
101.78674	0.7
111.00853	1.2
111.04531	7.3
113.02452	29.2
119.03494	9.3
119.08711	1.7
125.02460	8.2
131.03551	0.8
133.02956	0.8
141.01958	0.7
143.03552	4.0
159.03000	1.3
161.04585	12.7
177.01889	1.6
179.05568	1.2
191.05588	1.0
192.31699	0.8
193.12363	1.3
221.06680	3.6
245.06674	1.0
258.45703	0.7
263.07742	1.0
267.09619	0.7
323.09964	1.7
371.22278	1.5
382.55817	0.8
533.31189	7.0
695.36584	20.4
758.76361	0.9
857.41895	100.0
858.42426	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	857.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61681	0.9
61.98834	2.6
64.29138	1.0
69.18158	0.9
70.25103	1.0
71.01369	11.7
72.99355	1.3
73.02948	2.3
85.02962	6.3
87.00896	1.4
89.02432	11.3
92.10777	4.4
96.95995	1.2
99.00893	1.2
101.02435	13.1
101.02888	0.8
113.02451	6.6
116.92845	11.3
117.92882	4.5
118.92677	2.5
119.03473	5.3
120.99652	5.7
127.04003	1.2
127.13377	1.1
128.70322	1.1
141.82886	1.1
147.22462	1.1
153.74652	1.0
161.04605	2.2
179.05591	12.4
189.12837	1.2
191.05466	1.2
199.11259	1.8
208.43367	1.2
221.06644	1.6
263.20224	1.3
293.07306	1.1
341.11014	1.4
377.28452	4.2
389.28458	1.7
391.30038	9.5
393.31766	18.6
395.29620	9.1
407.29486	2.5
409.31360	2.3
411.32739	95.8
425.30426	2.0
437.30634	3.9
438.85895	1.3
455.31741	94.6
456.31140	1.4
473.32797	100.0
509.30460	1.6
556.73804	1.3
754.25128	1.3
797.44006	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	855.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99329	1.8
61.98848	1.3
69.03477	1.2
71.01403	4.7
85.02994	1.3
89.02451	3.8
90.07764	0.9
92.32218	1.0
95.35109	1.0
96.96021	1.6
97.97808	0.8
98.90623	0.9
101.02473	5.4
113.02456	2.1
116.92891	7.8
119.03486	1.5
141.07768	1.0
146.38823	0.9
149.04457	1.0
213.82932	1.0
228.05319	0.9
323.09958	3.8
358.56195	1.0
387.84341	1.0
391.30081	1.1
407.33237	17.9
453.33405	1.1
469.33267	12.6
470.33728	22.7
471.34802	100.0
472.35001	1.3
595.63727	1.1
633.40106	1.8
795.44745	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	857.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01916	0.4
69.03474	0.3
71.01395	0.8
71.61932	0.2
79.66341	0.2
83.05029	0.2
85.02947	6.1
85.05462	0.2
87.00873	1.5
93.03454	3.8
99.04515	0.3
101.02437	0.2
105.03476	0.2
109.02971	0.9
111.04549	1.1
127.03995	1.7
133.02953	2.9
135.04523	22.8
136.04849	0.3
144.13435	0.2
161.02432	2.3
171.02979	0.2
173.04521	2.0
177.01877	0.4
177.05684	0.2
178.02727	0.2
179.01868	0.2
179.03505	27.9
191.05629	100.0
192.06001	1.0
193.06100	0.3
215.05655	0.5
221.04659	0.4
242.98531	0.2
319.94937	0.2
341.08832	9.1
351.07288	1.1
352.07626	0.3
353.08832	10.7
400.70148	0.2
443.12177	0.4
503.14194	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	857.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	1.1
63.07121	0.6
63.58735	0.6
70.27961	0.6
71.01385	9.8
73.02969	3.1
73.33666	0.8
79.67599	0.6
83.01426	2.9
83.05042	1.0
85.02950	7.0
89.02437	1.0
93.03460	44.8
95.01384	1.2
97.91550	0.7
101.02465	6.5
113.02457	5.2
114.39545	0.7
116.92918	0.7
121.02965	0.8
136.01678	1.6
137.02457	100.0
175.99406	0.8
221.04622	3.3
281.06793	1.5
353.21249	0.9
497.29007	3.6
641.33252	1.0
779.36603	50.8
780.37445	2.6
796.45813	0.9
797.35931	12.9
821.39606	3.0
857.37231	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	82.5
72.99309	6.7
73.02971	16.1
83.01411	14.1
85.02967	54.2
87.00864	7.3
89.02454	43.1
92.10742	13.4
96.96032	8.9
99.00904	6.8
101.02459	70.1
111.00891	7.1
111.32818	5.8
113.02486	13.6
114.57898	5.8
119.03463	8.6
125.02455	8.8
135.04497	12.2
137.02426	11.9
139.00496	6.3
150.03223	26.8
161.04576	14.7
165.05618	13.1
166.02715	9.0
178.06308	7.8
191.03561	9.0
191.05573	30.1
195.06616	28.2
219.12384	41.6
325.11279	7.3
409.31116	9.1
436.61414	8.0
471.31168	28.3
475.26834	6.4
520.47650	10.8
643.36255	9.1
693.36377	7.9
795.41650	13.5
855.41089	100.0
858.47424	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	855.476
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99318	3.7
66.80016	0.4
71.01378	4.9
73.02959	2.4
79.72365	0.5
83.01385	0.8
84.53127	0.6
85.02970	1.2
89.02444	3.3
97.06525	0.7
99.00922	0.7
99.92577	4.8
101.02454	2.5
113.02485	1.3
114.70326	0.5
116.92861	53.6
117.01917	2.5
117.92896	0.7
119.03492	0.6
125.02412	0.7
179.05632	0.9
191.05673	0.9
243.07077	0.5
249.77170	0.5
279.09769	0.6
289.30627	0.6
323.09854	5.4
373.27521	1.0
391.30020	2.5
407.33282	20.6
427.31943	1.0
453.34006	2.5
469.33023	1.3
470.33755	0.9
471.34915	100.0
472.35178	3.0
603.34753	0.7
795.45441	9.3
855.41821	0.9
858.72229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99318	1.4
64.53473	0.6
65.76511	0.6
71.01387	8.9
73.02972	1.1
80.43261	0.5
82.22628	0.5
85.02969	1.4
87.00925	0.6
89.02447	7.7
99.00911	0.6
101.02459	7.2
104.65422	0.6
106.58828	0.5
108.71545	0.6
113.02466	3.6
119.03517	1.2
125.02444	1.2
140.33569	0.6
147.07646	0.6
161.04514	2.6
176.63242	0.8
179.05614	4.6
188.05962	0.7
381.52921	0.7
407.33298	3.5
471.34879	100.0
472.35120	2.4
795.43842	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	855.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.1
73.02949	2.9
89.02414	0.3
91.94775	0.2
99.00872	2.3
99.92585	7.9
101.02469	0.8
114.93430	0.9
116.92863	100.0
116.97255	0.8
117.01950	4.9
117.05579	0.3
117.92886	1.1
409.31033	1.3
427.32193	0.5
471.31226	2.5
633.36597	0.3
664.70752	0.3
795.41479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.2
71.01387	1.0
73.02949	3.1
85.02980	0.5
89.02467	0.2
91.31901	0.2
99.00877	1.7
99.92593	7.7
101.02432	0.3
102.97968	0.3
114.93397	0.4
115.47844	0.2
116.92863	100.0
116.97234	1.0
117.01930	3.4
117.05622	0.2
117.92884	0.5
164.47525	0.2
191.05722	0.4
273.12686	0.2
571.99823	0.3
625.08453	0.3
735.61121	0.3
855.39636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	82.5
72.99309	6.7
73.02971	16.1
83.01411	14.1
85.02967	54.2
87.00864	7.3
89.02454	43.1
92.10742	13.4
96.96032	8.9
99.00904	6.8
101.02459	70.1
111.00891	7.1
111.32818	5.8
113.02486	13.6
114.57898	5.8
119.03463	8.6
125.02455	8.8
135.04497	12.2
137.02426	11.9
139.00496	6.3
150.03223	26.8
161.04576	14.7
165.05618	13.1
166.02715	9.0
178.06308	7.8
191.03561	9.0
191.05573	30.1
195.06616	28.2
219.12384	41.6
325.11279	7.3
409.31116	9.1
436.61414	8.0
471.31168	28.3
475.26834	6.4
520.47650	10.8
643.36255	9.1
693.36377	7.9
795.41650	13.5
855.41089	100.0
858.47424	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	855.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89944	0.9
64.12733	0.9
71.01398	4.7
73.02948	1.3
74.40426	0.9
85.02966	3.7
89.02467	4.9
92.10128	2.8
93.03487	3.9
96.96001	7.1
101.02469	1.7
101.08241	1.0
107.01431	1.9
109.02953	2.3
112.49512	1.1
121.02892	1.1
126.12724	1.0
133.02954	1.5
134.03758	1.7
135.04546	7.6
143.03549	1.2
145.02956	1.6
147.06685	0.9
150.07854	1.0
151.00369	7.3
151.04073	3.6
160.04065	3.9
161.02496	3.9
173.04584	1.2
175.04019	1.3
177.01959	1.1
178.99907	1.9
179.03535	1.9
191.05608	14.1
193.05006	1.1
199.04007	6.6
211.04051	1.0
215.03651	1.2
216.04207	1.0
224.95638	1.0
227.03503	4.0
233.59624	1.0
239.20750	0.9
243.03020	5.0
255.03053	5.6
271.02533	64.1
299.02017	100.0
300.02774	30.2
301.03568	36.2
349.42734	1.0
360.72058	1.1
450.67075	1.0
546.13989	7.7
547.14642	1.9
609.14716	12.9
681.36658	1.0
855.25372	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20281	0.5
67.01907	0.6
71.01376	4.6
73.02962	0.8
81.74208	0.5
85.02958	19.4
87.00879	3.4
89.02462	1.9
92.75855	0.5
93.03459	10.1
96.96018	2.5
99.00875	0.6
101.02468	1.0
109.02940	1.3
111.04533	2.3
113.02472	2.0
119.05082	1.2
121.02958	1.1
127.04021	3.9
130.12898	0.5
134.03714	2.0
136.62274	0.5
145.02950	2.2
159.04509	2.1
160.01694	1.0
163.04001	2.1
164.04834	0.6
171.03017	1.2
173.04601	6.9
175.04031	1.3
191.05638	100.0
193.04980	0.6
203.03473	0.7
205.05182	0.7
223.06097	1.2
224.04688	0.7
225.05609	0.6
235.04028	0.8
237.05544	0.9
251.03554	1.2
252.04216	2.2
253.05066	1.0
263.03476	4.1
264.04169	1.3
265.04947	1.9
267.07059	0.9
277.04816	0.6
279.03003	2.2
280.03748	4.0
281.04614	6.3
283.06427	0.5
291.03024	3.2
292.03928	1.3
293.04648	2.0
294.04984	0.7
295.06070	2.0
296.06863	2.8
306.05270	2.1
307.02582	0.8
307.05991	0.6
308.03354	11.4
308.06763	0.9
309.04330	4.0
309.07407	0.8
311.09335	2.1
319.12839	0.6
323.05637	7.4
324.06412	3.3
337.09598	1.0
338.08008	12.1
339.05087	4.3
339.08786	10.9
350.04398	0.9
365.06696	4.6
381.06042	0.9
383.07904	1.2
459.15674	0.7
582.95935	0.6
619.20715	5.9
631.14935	0.7
663.19519	36.3
664.21191	0.7
681.20612	1.2
855.25476	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	855.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74020	0.3
67.01913	2.4
67.29428	0.3
68.99798	0.3
69.03445	0.5
71.01386	5.3
73.02961	0.6
79.93311	0.4
81.03483	0.8
83.05034	1.5
85.02952	14.9
87.00882	5.9
88.28928	0.4
89.02469	1.9
93.03460	16.9
96.60998	0.4
96.96016	0.6
99.00906	0.8
99.04509	0.5
101.02459	1.7
109.02951	1.3
111.04543	4.6
113.02471	1.6
113.06091	0.5
119.03512	0.5
121.02945	7.3
127.04005	3.7
133.02988	0.5
135.04578	0.5
137.02443	0.6
142.84074	0.4
148.18040	0.4
149.02975	0.4
155.03540	0.9
160.01793	0.7
161.02484	0.6
171.03004	1.4
173.04565	4.5
175.03928	0.5
178.36470	0.4
179.05623	0.4
180.04254	0.4
189.07918	0.4
191.05638	100.0
192.05952	0.8
193.06300	0.4
209.06125	0.8
224.34366	0.4
226.06421	0.4
228.27541	0.3
235.03998	2.3
239.03500	0.7
247.04089	0.5
251.03598	0.5
251.06998	0.5
253.05064	4.3
256.07410	0.5
263.03470	0.6
265.05051	0.8
266.05844	0.5
267.06906	2.0
271.05997	0.4
279.03030	3.0
281.04697	4.1
287.05652	0.4
291.02914	2.3
293.04440	0.8
294.05426	0.7
295.06226	3.0
296.07025	3.6
297.04160	0.6
306.05530	0.6
307.02585	3.4
308.03250	0.5
309.04147	6.6
309.07559	0.7
310.04779	1.7
311.09436	0.7
312.06454	0.8
322.04938	0.6
323.05664	6.2
324.06418	6.6
325.03598	0.6
335.02072	2.0
337.09543	5.4
339.08786	5.4
350.04373	4.3
353.06668	1.9
354.03986	0.5
363.13147	3.3
365.06766	9.7
368.05478	8.6
369.06140	3.2
383.07822	31.6
523.36975	0.5
527.11938	1.3
557.13116	15.2
646.11182	0.4
663.19519	18.9
681.20081	0.4
799.51453	0.5
855.25708	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	853.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99316	1.6
66.84573	0.2
71.01385	6.3
73.02940	1.4
82.54661	0.3
85.02973	1.3
86.47595	0.3
87.00877	0.7
89.02438	6.3
92.91098	0.3
97.06577	0.3
101.02455	4.3
109.11376	0.3
113.02470	2.6
117.93370	0.4
119.03464	2.5
125.02469	0.7
131.03529	0.4
143.03508	0.4
155.10782	0.5
161.04594	1.2
168.33324	0.4
171.50136	0.3
179.05627	4.7
221.06686	1.1
229.55754	0.3
265.36395	0.3
295.69217	0.3
305.08731	0.4
305.22806	0.4
321.88559	0.3
323.09897	0.7
405.31699	2.0
423.32852	1.8
437.30817	0.5
439.32187	1.4
441.33670	0.5
451.32211	1.5
469.33325	100.0
470.33667	1.9
511.34454	0.5
616.65137	0.4
774.31531	0.4
776.33441	0.3
793.43854	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	853.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86109	0.3
69.05444	0.3
71.01384	3.0
71.86710	0.3
73.02979	0.5
83.96813	0.3
86.15649	0.3
89.02451	2.4
95.54502	0.4
101.02452	2.5
113.02461	0.7
119.03485	0.6
158.74321	0.4
159.58185	0.4
179.05624	0.7
179.11288	0.4
203.47995	0.4
242.17618	1.7
262.22485	0.5
323.09964	1.5
469.33313	100.0
470.33725	2.2
683.36627	0.5
793.43872	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	852.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
75.48046	0.4
80.31039	0.6
84.93591	0.5
88.36317	0.6
117.32307	0.5
119.03024	0.6
133.59338	0.6
214.41185	0.7
277.21481	0.9
278.22211	0.9
291.58582	0.7
294.51108	0.6
393.43582	0.5
420.68430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.2
71.01385	1.3
89.02421	1.3
101.02450	3.1
107.42488	0.8
113.02436	1.0
116.92876	1.3
143.03490	0.8
171.10274	5.0
192.85036	0.8
195.13924	1.0
231.21091	0.8
235.08177	1.2
235.17096	9.0
253.09311	7.4
275.20187	25.0
277.21747	100.0
293.21259	33.5
315.03464	0.8
439.26913	0.8
481.38870	0.8
513.31049	1.0
838.10638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	0.3
59.01383	2.4
60.20057	0.3
60.34303	0.3
61.98849	0.5
67.01908	0.6
71.01398	1.9
81.03426	0.4
81.63933	0.3
83.05059	0.3
84.68294	0.3
85.02972	7.8
87.00903	2.0
89.02489	0.6
91.42902	0.4
93.03464	6.3
99.77964	0.3
109.02977	0.8
111.04517	0.8
113.02528	0.5
127.04018	2.0
133.03003	0.8
135.04527	8.1
155.03453	0.6
161.02458	5.1
171.03001	0.3
173.04523	4.9
173.92140	0.4
179.03526	6.0
191.05644	100.0
353.08948	6.7
450.05542	0.3
509.91129	0.4
554.51428	0.4
849.37170	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	847.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.6
64.53050	1.6
70.04224	1.6
71.01393	3.0
71.05025	13.3
80.96548	1.7
92.10858	4.6
97.06596	3.2
101.02422	3.6
104.27045	1.8
106.14788	2.3
161.64934	2.1
170.57890	2.1
217.16116	2.3
219.13814	3.2
223.82733	2.1
235.08302	2.3
235.16859	2.0
253.09349	3.9
277.21780	95.0
291.19708	100.0
343.86630	2.2
350.71271	2.3
371.63736	2.3
527.28687	3.7
847.48157	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	849.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.1
59.71391	0.1
60.99325	0.1
67.01914	0.6
69.03458	0.2
71.01376	1.0
71.33832	0.1
72.23262	0.1
73.02970	0.2
76.68044	0.1
81.03477	0.5
83.05064	0.3
85.02956	7.9
87.00866	1.6
88.40177	0.1
89.97787	0.1
93.03456	4.4
99.04556	0.2
101.02471	0.2
109.02964	0.9
111.04526	1.6
127.04028	2.3
130.67300	0.1
133.02965	1.5
134.03749	0.2
135.04536	5.7
137.02473	0.2
143.03539	0.1
149.09512	0.1
153.38533	0.1
155.03510	0.5
161.02463	4.2
163.04041	0.1
171.03008	0.6
173.04576	5.7
179.03513	4.5
181.05061	0.2
191.05643	100.0
192.06023	0.9
240.27271	0.1
308.89722	0.1
353.08853	5.8
487.34323	0.2
625.96417	0.1
757.76270	0.1
771.67889	0.1
849.37109	9.1
850.37616	0.2
859.05267	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	843.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	25.4
61.98841	1.0
67.98904	0.5
68.86539	0.6
69.03484	0.9
71.01388	40.0
72.99331	1.5
73.02946	11.6
75.00895	0.7
83.01395	7.9
85.02956	23.3
85.03448	0.8
87.00864	2.0
89.02445	10.3
90.45644	0.5
90.84422	0.6
95.01415	3.6
97.02962	1.5
99.00876	5.0
101.02438	35.1
113.01648	0.8
113.02448	24.4
119.03503	4.1
121.02970	1.4
125.02438	1.3
134.03783	0.9
143.03467	2.5
143.04497	0.6
155.10654	0.7
159.02959	2.2
161.04546	7.8
165.01971	0.8
166.05104	0.9
179.05617	0.6
191.05658	0.7
194.39183	0.7
211.06227	0.9
221.06618	1.0
423.18066	0.7
621.43475	2.5
783.49139	100.0
784.49622	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	843.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.2
61.98842	4.2
63.79499	1.7
71.01376	47.4
73.02966	13.7
74.46252	2.0
76.58133	2.0
83.01399	9.3
85.02942	22.3
89.02469	9.3
95.01393	2.1
101.02448	37.4
113.02449	19.2
135.04602	2.0
151.74551	2.0
161.04546	4.0
179.05548	2.5
189.10390	2.4
191.05550	2.4
238.26323	2.0
248.69849	2.5
311.82608	2.0
468.94348	2.7
520.04950	2.3
569.07385	2.5
653.55664	2.3
783.49115	100.0
784.49310	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	845.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	18.3
61.98825	5.3
71.01391	36.9
73.02956	13.1
79.21877	2.9
83.01408	4.1
84.12822	3.0
85.02972	17.5
87.82425	3.8
89.02460	18.8
93.03454	6.7
99.00895	6.5
101.02444	20.1
113.02464	6.2
121.02934	4.7
125.02389	5.7
135.04454	3.7
137.02432	4.4
165.05484	3.7
191.05676	4.0
195.94391	3.4
295.52972	3.6
313.49829	3.6
485.32932	26.1
600.05823	3.8
605.33563	4.0
785.45868	4.5
809.39459	45.0
845.37097	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	845.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
79.11705	0.3
87.05660	0.4
97.11723	0.3
98.38161	0.4
105.69340	0.3
129.10350	2.1
137.69164	0.4
163.24980	0.3
165.10291	0.4
207.15082	0.8
224.17648	0.5
242.18767	0.5
313.22601	0.4
315.68393	0.4
337.26038	0.6
355.27261	0.4
782.51917	7.2
783.52997	0.4
785.52771	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	841.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06846	21.9
61.68056	18.2
64.34760	20.9
73.32699	17.1
82.20503	22.1
89.94707	18.6
90.64132	21.7
160.35564	22.5
180.30338	20.7
205.33203	23.3
277.21857	100.0
309.20673	83.3
534.22388	24.7
627.24146	29.1
841.48212	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	16.1
60.27678	0.8
69.03471	1.1
71.01384	24.5
72.62296	0.9
73.02947	8.9
81.03487	1.2
83.01416	4.5
83.05077	0.9
84.97594	1.0
85.02960	14.5
87.00883	1.4
89.02437	9.8
97.02929	1.6
99.00886	5.4
101.02452	14.4
113.02444	8.9
115.04033	2.0
116.20189	1.0
125.02431	4.7
144.08333	1.1
159.02950	1.3
161.04529	4.5
161.06094	1.8
175.07645	1.3
191.05542	1.2
202.98576	1.1
233.06792	1.3
247.00671	1.1
297.02054	1.3
298.15646	1.1
441.97354	1.1
495.27878	1.2
513.28595	5.4
657.32574	1.5
675.33441	5.4
739.26556	1.8
783.44739	1.6
807.38342	52.9
808.38989	1.5
843.35822	100.0
844.36676	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	843.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	52.8
60.01737	2.7
67.86964	2.2
71.01387	63.9
72.55849	2.2
73.02976	13.3
76.40232	2.5
76.94977	2.4
83.01418	5.1
83.62913	2.5
85.02964	21.4
87.00894	3.0
89.02453	43.9
89.30753	2.4
94.38941	2.4
95.01382	2.7
99.00928	2.5
101.02448	52.6
113.02448	26.9
119.03524	14.6
143.03519	3.4
161.04596	11.9
179.05600	3.1
221.06850	3.1
258.38095	2.7
343.22650	2.8
747.43402	100.0
765.44354	5.1
783.48755	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	841.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50815	0.2
61.43660	0.2
73.02953	0.4
76.03017	0.2
99.92582	7.6
104.31731	0.2
116.92864	100.0
116.97240	3.2
117.01961	0.3
117.92881	1.1
117.98284	0.2
144.25090	0.2
164.00478	0.2
166.84267	0.2
177.89162	0.2
277.21686	0.3
335.17471	0.2
371.93402	0.2
772.23663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.2
64.34714	0.3
70.30196	0.2
72.41782	0.2
73.02962	0.3
77.44164	0.2
81.49612	0.2
82.57258	0.2
85.23736	0.2
99.00848	0.3
99.91956	0.5
99.92583	9.0
114.93413	0.3
116.92864	100.0
116.97230	2.9
117.92883	0.5
123.63831	0.2
298.32144	0.2
369.35199	0.3
404.72104	0.2
454.62375	0.3
714.27771	0.3
836.77362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.2
67.01883	0.7
69.03468	0.8
71.01400	4.2
73.02969	0.8
75.30495	0.7
75.53639	0.6
85.02956	19.6
87.00880	5.2
89.02444	1.4
92.10728	1.5
93.03468	7.2
99.00883	1.1
99.04552	0.7
99.86948	0.7
101.02470	1.0
109.03015	0.9
111.04538	1.7
113.02457	1.7
121.02960	7.2
127.04005	4.6
133.02988	2.8
134.03770	1.4
135.04492	2.4
157.50020	0.8
159.04518	5.0
163.03952	0.8
171.03032	1.1
173.04555	3.8
178.02606	0.8
191.05632	100.0
192.06056	1.2
193.05045	3.2
203.03499	0.8
205.31868	0.8
209.31984	0.8
237.05617	1.7
248.04745	1.2
249.05977	1.5
263.03439	1.1
264.04324	6.4
265.05124	6.0
266.05933	8.7
268.07547	0.8
271.09906	1.1
276.04196	1.3
277.05206	1.5
278.05869	0.8
281.04874	0.8
281.08264	3.5
282.05557	0.7
283.09897	1.0
292.03815	4.7
293.04568	13.1
294.05368	6.6
307.06174	0.8
308.03485	2.4
308.06931	9.4
309.04272	1.2
309.07690	17.0
319.12234	0.8
325.07184	1.6
335.05716	7.2
339.08936	2.4
353.06702	1.5
371.09711	5.2
605.18958	2.8
623.19543	0.8
626.01886	0.8
649.17896	39.0
667.19275	2.8
841.23578	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	839.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96826	75.3
61.98824	80.7
68.76328	73.0
69.39254	80.8
72.67699	73.6
75.98246	74.1
84.89233	76.9
86.83787	74.6
92.10840	100.0
98.17804	76.5
102.07452	71.6
105.08474	91.2
106.33329	87.6
154.91704	97.7
178.57625	85.5
225.36702	91.9
283.14587	84.1
583.50452	93.9
600.73376	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34245	1.0
71.01385	10.1
73.02941	1.3
78.98603	5.6
79.95750	11.8
80.96527	86.9
81.03493	1.3
85.02961	4.2
87.00882	5.1
94.98099	20.9
97.02943	1.5
101.02447	2.1
104.69688	0.9
106.98109	1.9
122.97576	4.5
125.02461	4.3
134.97595	9.0
136.99106	1.4
148.99164	10.1
152.98645	7.8
164.98659	14.0
206.99696	4.7
210.69009	0.9
225.00815	19.7
277.21759	1.1
279.23343	2.3
359.33105	1.4
549.52020	1.0
561.27716	1.3
614.26068	1.1
747.05786	1.1
817.86908	1.5
839.49945	100.0
840.49634	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	839.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	59.6
63.46379	2.5
66.09885	2.8
66.19962	2.9
66.87151	2.9
67.62849	2.5
69.03480	3.0
71.01390	100.0
73.02962	25.0
75.99950	3.0
81.03479	3.7
83.01411	13.8
83.05038	3.9
83.45041	3.0
85.02961	49.1
89.02434	31.3
92.10115	11.9
93.03461	6.9
95.01386	6.8
97.02986	4.9
99.00874	6.8
101.02456	72.7
111.04559	3.3
113.02454	33.5
119.03513	15.2
121.02953	17.1
125.02457	12.5
131.07204	2.8
143.03482	3.6
149.07571	3.0
159.02946	3.3
161.04570	23.1
170.25818	3.1
171.82623	3.1
216.11737	3.3
218.46727	3.4
323.10077	6.7
353.11899	3.3
515.30121	18.6
677.35522	18.1
839.40741	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89964	1.1
59.01386	28.4
71.01382	44.9
73.02944	11.2
73.03300	1.1
79.14596	1.1
83.01402	8.9
85.02950	30.8
87.00861	2.1
89.02431	9.9
93.51305	1.2
93.92546	1.3
94.82954	1.3
95.01370	1.8
96.33002	1.2
99.00895	6.3
101.02436	42.2
113.02466	24.1
119.03470	2.0
125.02448	2.5
135.76682	1.3
159.02988	1.3
161.04570	7.6
179.03445	1.5
179.05614	1.3
181.53773	1.2
257.08185	1.4
383.17477	1.2
411.33002	2.6
455.31546	7.3
469.33374	1.6
585.51990	2.0
617.36853	6.3
779.42377	100.0
839.41315	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	839.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
59.22708	0.3
62.49239	0.2
73.27213	0.3
97.90036	0.4
99.92583	8.9
109.76084	0.3
110.60313	0.3
114.93447	0.3
116.92861	100.0
117.01935	0.4
117.92886	1.5
120.55411	0.3
126.22154	0.3
171.76990	0.3
189.94872	0.3
222.38632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88947	0.3
85.03072	0.3
87.78301	0.3
99.92580	7.5
114.92572	0.3
114.93394	0.5
116.92863	100.0
116.97256	1.6
117.92865	1.1
145.72504	0.3
153.75743	0.3
168.18503	0.3
277.40903	0.3
346.58508	0.3
365.37317	0.3
389.49960	0.3
854.17603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	74.9
71.01382	100.0
73.02945	40.4
83.01404	11.8
85.02961	54.2
89.02451	40.5
97.02940	6.8
98.12077	6.0
99.00885	11.4
101.02449	55.4
112.32365	5.5
113.02425	47.3
119.03512	7.1
120.93154	5.9
125.02439	9.7
134.94016	6.0
161.04581	25.0
161.31108	4.9
485.32736	6.4
677.35535	33.4
779.43286	9.3
839.40558	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90255	0.5
59.01397	0.9
63.96240	2.0
65.54012	0.5
69.03465	0.7
71.01392	11.5
73.02959	2.3
77.57216	0.5
78.98608	8.7
79.95741	15.9
79.96198	0.7
80.14427	0.5
80.96525	100.0
81.03448	0.7
85.02953	4.3
85.61478	0.4
87.00891	4.6
93.98609	0.5
94.98090	23.7
96.96009	1.1
97.02975	2.6
101.02440	4.8
106.98080	5.1
116.92890	0.6
119.13430	0.5
122.97562	5.0
125.02467	3.8
127.04018	1.1
134.97592	8.4
136.99153	2.0
148.99149	11.1
152.98647	9.6
164.98634	17.2
206.99670	3.1
225.00797	23.2
247.49710	0.5
251.68538	0.6
277.21759	2.9
429.02515	0.5
489.55658	0.6
559.25891	3.1
608.41156	0.6
788.70752	0.6
837.48370	77.5
838.49457	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	839.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.6
59.01385	10.2
67.01890	0.5
68.99820	0.7
70.60035	0.3
71.01378	8.6
72.99305	3.0
73.02950	1.6
75.00870	11.3
82.60239	0.3
83.01382	0.6
83.05055	0.3
85.02950	15.7
87.00880	5.3
89.02438	5.3
93.03447	1.5
95.01370	3.2
96.95977	0.5
97.04203	0.4
99.00876	7.5
101.02417	1.5
101.06078	94.4
103.00368	2.1
103.01086	0.3
109.02959	0.4
111.00886	0.6
113.02450	16.8
115.00363	2.1
117.01933	2.1
117.03510	0.4
119.04990	0.6
125.81614	0.4
127.04009	0.4
129.01917	1.7
133.02975	0.7
145.02951	2.2
163.03993	1.4
173.04517	1.7
175.02515	0.7
175.03949	0.5
179.03551	0.4
191.05650	7.3
203.03169	0.4
205.07101	0.4
231.05118	2.1
249.06175	13.7
267.07199	1.8
291.10965	0.4
293.04541	0.5
333.12021	0.9
351.13010	100.0
352.13443	0.7
487.14786	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	837.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
61.15614	0.3
71.01405	2.2
75.78661	0.4
85.02953	0.4
89.02470	2.2
97.06577	0.7
101.02427	1.6
119.03461	0.5
125.02393	0.5
161.04514	0.6
173.67737	0.4
179.05644	0.6
248.97360	0.4
323.09952	6.3
357.48215	0.4
391.30148	1.8
405.31747	0.5
407.33374	1.0
445.34042	0.4
453.33835	100.0
454.34134	2.3
484.18509	0.4
518.70477	0.4
777.44586	5.2
849.19531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	58.4
60.18314	1.7
60.48586	1.4
61.98859	6.8
63.55610	1.6
64.84506	1.9
66.42928	1.5
70.32600	1.6
71.01382	50.8
73.02956	17.1
81.89784	1.5
83.01400	4.2
85.02956	21.2
87.00902	2.8
89.02441	52.8
97.02987	1.9
99.00875	20.4
99.04573	2.1
101.02443	40.4
113.02457	14.9
119.03514	8.5
121.03014	1.7
125.02464	2.5
131.03528	9.2
149.04590	6.9
161.02473	3.9
161.04521	7.2
161.06047	3.9
171.10254	9.9
175.07625	7.0
191.05634	11.6
209.11757	1.9
351.19589	2.4
355.28403	1.8
369.20712	13.2
531.25909	8.3
663.30408	100.0
664.30670	2.9
775.40692	8.6
799.43256	29.0
835.40063	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	836.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98831	100.0
67.19745	0.1
71.24193	0.1
79.99273	0.1
92.10129	0.6
110.52791	0.2
132.55159	0.1
200.31528	0.1
277.21710	1.3
278.22189	1.6
279.22324	0.6
422.38290	0.2
468.58636	0.2
780.03595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.9
64.29206	0.3
67.01906	0.5
68.99816	0.6
69.03474	0.6
71.01381	18.9
72.99305	4.3
73.02965	1.2
75.00871	17.7
81.03502	0.4
83.01386	0.3
85.02955	25.1
87.00874	8.0
89.02448	6.7
91.04035	0.4
93.03425	0.5
95.01382	4.9
99.00872	10.2
101.02428	0.8
103.00372	2.2
109.02949	0.4
111.00897	0.6
112.01653	0.4
113.02448	27.7
113.06085	29.8
115.00389	2.0
117.01963	3.7
121.02946	1.3
129.01923	1.8
131.03522	0.6
149.04590	0.6
157.01430	0.6
158.05420	0.3
160.01668	0.5
167.69601	0.4
175.02470	2.1
175.04022	1.2
179.50499	0.3
189.51988	0.4
191.05576	0.7
201.11353	1.4
205.07193	2.5
207.05098	1.3
223.08200	0.6
231.05090	1.4
249.06166	17.2
267.07233	30.9
268.07333	0.5
316.64871	0.4
345.11807	0.5
363.13016	100.0
364.13431	1.4
385.11365	0.4
658.84930	0.3
838.90900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	58.4
60.18314	1.7
60.48586	1.4
61.98859	6.8
63.55610	1.6
64.84506	1.9
66.42928	1.5
70.32600	1.6
71.01382	50.8
73.02956	17.1
81.89784	1.5
83.01400	4.2
85.02956	21.2
87.00902	2.8
89.02441	52.8
97.02987	1.9
99.00875	20.4
99.04573	2.1
101.02443	40.4
113.02457	14.9
119.03514	8.5
121.03014	1.7
125.02464	2.5
131.03528	9.2
149.04590	6.9
161.02473	3.9
161.04521	7.2
161.06047	3.9
171.10254	9.9
175.07625	7.0
191.05634	11.6
209.11757	1.9
351.19589	2.4
355.28403	1.8
369.20712	13.2
531.25909	8.3
663.30408	100.0
664.30670	2.9
775.40692	8.6
799.43256	29.0
835.40063	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	834.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	0.5
65.00345	0.8
65.19376	0.5
72.20808	0.5
73.49531	0.5
77.99358	0.6
80.07810	0.6
92.64487	0.5
107.01412	0.8
109.02960	0.8
121.02972	0.9
151.00383	9.9
169.01482	0.9
175.04021	0.8
177.01965	0.6
177.59262	0.6
178.99878	2.9
191.05537	1.0
199.03955	2.5
227.03502	2.9
242.52541	0.6
243.02904	4.8
254.81865	0.6
255.03116	4.8
271.02524	59.0
272.02911	2.4
273.03192	0.8
299.02002	100.0
300.02728	30.0
301.03558	46.4
301.06326	0.7
302.03687	2.7
322.62524	0.6
331.02997	0.6
343.04260	1.0
424.19217	0.6
462.08151	14.9
463.08975	0.9
527.14227	0.6
609.14679	10.6
643.90265	0.7
771.19891	51.9
773.21106	0.8
774.20624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	0.3
59.01390	13.5
61.98838	0.7
69.03495	0.3
69.52215	0.3
71.01384	9.6
71.05020	0.4
72.99317	0.7
73.02954	1.7
80.02699	1.6
81.03469	1.9
81.42139	0.3
83.01388	0.8
83.05028	7.1
84.02165	0.8
84.79050	0.3
85.02952	3.5
87.00900	1.5
89.02449	7.8
95.01399	0.4
95.05046	0.7
96.96020	0.5
97.02946	1.7
99.00891	0.7
101.02441	7.7
113.02460	3.9
119.03507	2.3
125.02475	2.3
125.06107	0.4
125.09621	0.4
134.03656	0.5
135.08147	0.7
141.01724	0.4
143.03438	0.8
160.01668	0.5
161.02423	1.5
161.04529	0.7
163.11284	5.5
165.12886	2.9
169.13268	0.3
179.05638	2.2
181.12306	0.7
186.37370	0.3
191.10770	0.7
209.11859	100.0
210.12186	0.6
227.12933	11.3
235.08247	2.2
379.12491	1.8
397.13519	14.9
415.14584	4.0
529.15631	0.4
546.61261	0.4
607.26331	0.5
608.62012	0.4
775.41803	0.4
787.13538	0.4
799.43329	1.6
835.42218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.6
59.01648	0.6
61.98829	4.6
64.62100	0.4
71.01372	9.8
71.01707	0.5
71.87401	0.5
72.99318	0.6
73.02963	2.0
80.02679	1.0
81.03457	1.1
83.01419	0.7
83.05015	7.4
84.02196	0.7
85.02974	2.8
87.00883	1.2
89.02440	8.3
93.03461	0.9
96.96047	1.0
97.02987	1.2
101.02447	8.3
102.59788	0.7
107.44576	0.5
113.02448	4.3
119.03493	1.0
121.64011	0.5
125.02451	2.7
128.69629	0.6
135.08179	1.0
135.60527	0.8
143.03493	0.7
149.04462	0.5
160.01784	0.7
161.04523	1.8
163.11287	5.9
165.12851	2.5
179.05649	1.2
181.12364	0.5
191.05635	0.8
191.10718	1.0
209.11856	100.0
210.12120	0.8
221.06677	0.9
227.12926	10.1
235.08257	2.2
251.52867	0.5
280.31061	0.6
379.12393	1.0
397.13522	17.2
407.51489	0.6
415.14676	5.2
775.43628	0.6
799.43384	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	833.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.8
59.01389	50.9
61.98856	0.5
68.51782	0.3
69.03462	0.5
70.04121	0.4
70.64819	0.4
71.01384	41.0
72.99308	3.3
73.02950	11.5
75.00861	0.8
75.68961	0.4
83.01392	5.4
85.02959	13.5
87.00892	2.7
89.02446	37.6
92.07911	0.4
92.65073	0.4
93.03458	0.4
95.01358	3.1
97.02962	2.6
99.00883	5.8
99.04490	0.7
101.02445	35.6
111.00873	1.0
113.02468	16.1
115.04022	0.9
119.03503	10.8
121.03013	0.4
124.10360	0.4
125.02430	2.6
131.03497	3.7
135.04597	0.4
141.02013	0.5
143.03523	1.6
149.04550	0.7
153.01958	0.6
161.02472	1.8
161.04591	1.7
173.04677	0.5
176.01141	0.6
179.03523	0.6
179.05594	0.6
188.10599	0.4
191.03653	0.7
191.05595	1.8
209.61197	0.4
233.06680	0.8
238.30478	0.4
440.55722	0.4
516.23334	0.5
543.89777	0.4
608.55054	0.5
641.35333	2.7
674.25714	0.6
773.39844	100.0
774.40564	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	833.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.6
66.43810	0.1
71.01384	1.1
73.02956	0.3
83.01405	0.2
85.02937	0.2
89.02438	0.9
101.02429	1.6
113.02477	0.9
145.05133	0.2
157.48323	0.2
161.04501	0.2
235.08214	1.0
253.09340	3.6
259.20779	0.3
275.20334	0.2
277.21762	100.0
278.22067	1.1
513.30878	0.3
728.01196	0.2
778.09143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	1.9
59.01389	62.6
61.98844	2.2
62.74211	1.5
64.03284	1.4
64.94880	1.2
71.01380	60.2
72.99319	2.8
73.02952	18.4
83.01411	11.4
85.02956	26.2
87.00905	6.6
89.02446	34.4
91.83588	1.2
93.03446	3.6
95.01385	5.4
97.02987	1.5
99.00891	9.1
101.02445	49.5
111.00885	2.0
113.02451	28.9
116.34814	1.4
119.03510	11.0
121.02996	8.1
124.86053	1.7
125.02435	5.8
131.03462	1.5
133.03038	1.7
134.03687	2.0
135.04539	6.9
136.81157	1.6
137.02464	3.2
150.03189	1.5
159.03107	2.6
161.02461	8.5
161.04564	9.9
165.01909	1.6
165.05658	2.1
179.03519	1.7
191.05656	7.9
214.62978	1.4
253.88686	1.6
335.77982	1.6
345.30200	5.8
371.51852	1.8
507.35583	2.6
669.40710	11.1
771.38721	10.5
831.30725	3.8
831.46191	100.0
842.36243	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	833.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.8
59.01389	50.9
61.98856	0.5
68.51782	0.3
69.03462	0.5
70.04121	0.4
70.64819	0.4
71.01384	41.0
72.99308	3.3
73.02950	11.5
75.00861	0.8
75.68961	0.4
83.01392	5.4
85.02959	13.5
87.00892	2.7
89.02446	37.6
92.07911	0.4
92.65073	0.4
93.03458	0.4
95.01358	3.1
97.02962	2.6
99.00883	5.8
99.04490	0.7
101.02445	35.6
111.00873	1.0
113.02468	16.1
115.04022	0.9
119.03503	10.8
121.03013	0.4
124.10360	0.4
125.02430	2.6
131.03497	3.7
135.04597	0.4
141.02013	0.5
143.03523	1.6
149.04550	0.7
153.01958	0.6
161.02472	1.8
161.04591	1.7
173.04677	0.5
176.01141	0.6
179.03523	0.6
179.05594	0.6
188.10599	0.4
191.03653	0.7
191.05595	1.8
209.61197	0.4
233.06680	0.8
238.30478	0.4
440.55722	0.4
516.23334	0.5
543.89777	0.4
608.55054	0.5
641.35333	2.7
674.25714	0.6
773.39844	100.0
774.40564	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	829.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	40.8
60.03527	1.4
71.01381	46.9
71.37801	1.6
72.02181	3.3
73.02955	10.9
73.35674	1.9
83.01394	7.2
85.02943	21.0
87.00880	2.5
89.02440	21.0
95.01386	4.1
99.00877	3.2
101.02446	46.5
113.02439	18.0
116.74428	1.7
119.03494	9.3
123.08150	7.4
125.02495	1.8
141.09268	3.4
159.02959	2.1
161.04564	12.1
179.05597	2.2
212.51465	1.9
221.06682	2.8
231.11411	1.7
269.21683	2.0
269.56647	1.9
406.45474	2.1
512.02716	1.9
563.26074	2.2
607.38574	16.2
751.43121	10.3
769.43945	100.0
770.42896	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	829.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	40.5
61.92096	2.5
71.01382	65.0
73.02951	15.6
77.62395	2.8
83.01390	11.9
85.02956	32.3
89.02448	21.4
92.10210	4.3
95.01411	3.9
99.00848	6.2
101.02448	58.7
108.38880	3.1
113.02435	34.3
121.98695	3.1
161.04527	6.7
168.29323	3.2
169.91339	3.4
187.49623	3.2
223.04311	3.2
424.69580	3.6
600.20044	3.5
607.42426	23.6
721.58630	3.7
769.47540	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	831.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67106	0.3
59.01384	4.7
61.98835	0.4
64.34612	0.2
67.36086	0.3
71.01380	4.6
73.02952	1.4
82.44342	0.3
83.01395	0.7
84.93024	0.3
85.02967	2.6
87.00902	0.4
89.02443	2.5
95.01395	0.3
99.00887	1.0
101.02457	4.0
108.84764	0.3
112.56686	0.3
113.02459	1.2
119.03497	0.4
119.04985	0.5
121.02956	100.0
122.03295	0.4
147.04530	7.9
152.18240	0.3
161.04527	0.6
191.03525	60.4
192.03908	0.6
195.73857	0.3
209.11861	1.2
210.05872	0.3
221.06847	0.3
265.07632	0.7
322.49274	0.3
421.05777	0.3
436.10843	0.4
441.33890	1.1
471.35025	0.4
483.15085	0.4
639.33429	2.7
742.12787	0.3
771.41913	7.1
831.42914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.7
59.01388	51.0
69.65533	0.6
71.01389	47.0
71.01775	1.6
72.95192	0.7
72.99334	1.4
73.02954	14.8
73.03313	1.1
73.15667	0.7
79.82539	0.7
83.00991	0.7
83.01383	5.7
85.02959	11.6
87.00896	3.7
89.02456	56.1
95.01427	3.0
97.02949	3.0
99.00885	19.4
99.04567	1.1
101.02454	33.8
101.03101	1.4
111.00922	0.8
113.02456	16.9
118.73975	0.8
119.03514	13.0
125.02462	8.0
131.03531	6.6
134.03717	0.9
141.54588	0.8
143.03508	1.5
143.51968	0.7
149.04562	9.0
151.85345	0.9
158.22568	0.8
161.04568	6.9
179.05664	3.1
182.81625	0.8
189.79323	0.8
191.05673	7.6
221.06808	1.8
233.06610	0.8
347.40527	0.8
609.32965	8.7
639.34723	3.0
695.72247	0.9
771.38239	100.0
772.38745	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	827.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86132	0.3
59.01387	1.4
63.56225	0.3
67.01903	0.7
69.03455	3.4
71.01374	0.4
79.01938	0.3
83.05047	2.1
85.02956	3.8
88.49731	0.3
93.03431	0.4
95.05008	0.5
96.11257	0.5
97.02950	35.5
100.18510	0.3
109.06602	0.4
111.08173	1.4
119.08665	4.3
121.06588	0.5
121.10231	0.5
123.08144	0.3
125.09718	2.7
127.11330	0.5
135.08205	0.5
137.09726	13.3
153.09233	0.3
155.10777	1.5
157.12534	0.3
158.21643	0.3
163.11357	0.3
167.10811	1.5
171.10287	31.2
171.95018	0.4
177.12753	1.0
179.10837	0.4
183.10236	1.1
185.11844	4.7
185.74348	0.3
193.12326	0.7
195.13940	1.4
195.16156	0.3
201.11392	0.6
211.13463	1.6
213.11372	0.5
221.11893	2.9
239.12895	4.1
247.20651	0.5
273.18781	3.6
273.86115	0.3
291.19733	12.8
309.20782	100.0
310.20938	1.0
310.74939	0.3
347.80582	0.3
497.14069	0.3
512.16669	0.3
624.91107	0.4
758.91125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96635	41.6
65.18424	41.6
69.08157	41.2
99.48626	40.5
277.21719	100.0
483.95529	54.5
625.54327	53.4
814.48914	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
60.99311	17.7
63.52130	0.2
71.01373	1.0
82.92013	0.2
85.02943	0.2
87.00871	2.9
88.00392	1.6
88.01221	0.3
88.98798	100.0
89.02438	9.6
101.02419	0.5
105.89249	0.2
108.62581	0.2
113.02421	0.3
232.56996	0.3
304.61145	0.3
371.08142	0.3
469.01428	0.3
649.63776	0.3
767.43158	0.4
855.76093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.5
61.98845	100.0
64.34560	0.3
69.63730	0.3
71.01405	1.2
73.02943	0.4
85.02963	0.6
89.02460	0.4
101.02440	1.8
103.84743	0.3
113.02436	0.5
126.86061	0.3
132.02187	1.1
134.03757	5.9
145.39500	0.3
149.06075	0.3
153.97238	0.4
156.17090	0.3
160.01669	6.6
161.02463	0.6
175.04019	10.0
191.05591	0.6
193.05115	5.4
291.18036	0.4
409.44016	0.3
761.32507	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	825.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
67.01894	0.5
71.01398	3.8
71.54791	0.5
72.99326	0.5
73.02948	0.4
79.22056	0.4
85.02952	18.4
87.00871	4.1
89.02461	2.0
93.03449	7.4
97.94858	0.5
99.00881	0.4
101.02438	1.0
105.08038	0.5
108.02183	0.7
109.02953	0.7
111.04520	2.7
113.02502	1.7
119.04977	0.5
121.02953	0.6
122.06132	0.6
127.04045	3.8
130.40138	0.4
134.03683	0.5
135.04593	0.5
137.02367	0.6
145.02950	0.5
147.04466	0.6
149.02458	0.9
150.03180	0.5
153.01935	0.6
156.13678	0.5
159.04494	1.7
163.04117	0.6
164.04767	0.8
171.03026	0.6
173.04568	2.1
175.04218	0.5
191.05634	100.0
192.06068	0.8
195.05435	0.8
203.03439	0.8
205.05185	0.4
208.03766	0.9
221.06213	0.5
223.06100	3.9
236.04791	0.6
237.05597	3.6
238.06303	0.9
247.04007	0.7
248.04861	1.8
249.05608	2.1
263.03506	0.6
264.04330	7.7
265.05139	6.6
266.05887	8.9
267.06985	3.8
270.88626	0.6
276.04257	3.3
277.05096	2.1
279.06540	0.5
281.08286	3.1
285.12503	3.4
291.03207	0.7
291.06668	0.5
292.03867	6.2
293.04581	15.5
294.05426	5.9
303.13611	2.1
307.06226	2.8
308.03369	1.0
308.06924	14.9
309.07687	15.1
320.03436	1.1
335.05667	10.5
353.06723	2.7
372.44476	0.5
385.11374	1.9
506.29568	0.5
513.10291	0.5
589.19293	4.5
633.18414	40.8
634.19092	0.7
651.19373	1.8
693.46417	0.6
825.24872	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	817.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	6.6
61.98845	3.0
64.17318	1.4
67.61663	1.5
71.01382	96.5
73.02519	1.6
73.02937	1.6
73.24308	1.4
89.02466	2.4
91.64147	1.9
98.33074	1.7
101.02461	4.0
102.52745	1.7
109.06625	3.2
113.02471	2.7
125.09719	2.8
127.11253	1.9
138.98958	1.6
171.10277	97.8
199.09854	3.9
207.10312	11.4
225.11357	9.2
253.09364	8.7
277.21750	100.0
395.88263	1.8
551.22864	2.1
558.89911	2.0
721.41937	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	817.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99421	1.6
63.04401	1.5
63.04729	2.1
71.01388	9.5
71.36725	1.9
71.45391	1.7
71.45979	1.7
73.02972	3.0
78.98589	6.9
79.95707	16.4
80.96522	99.4
85.02942	3.6
87.00893	2.8
87.04527	2.0
91.74279	1.9
93.67054	1.9
94.98096	24.8
101.02426	3.1
104.25527	1.9
106.98093	6.9
122.97578	3.2
125.02412	3.5
127.04011	2.3
134.97592	8.6
148.99150	15.5
152.98659	9.1
164.98634	21.6
222.46443	2.2
225.00778	28.5
279.23419	2.4
303.29684	2.2
397.21722	2.2
511.09045	2.0
537.28119	2.3
602.28192	2.1
623.43890	2.1
817.51495	100.0
817.66711	3.4
818.52527	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	817.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91860	2.0
71.01395	9.9
78.98589	4.7
79.95750	14.8
80.96526	100.0
87.00907	2.3
94.98106	23.5
97.02975	2.2
101.02457	2.5
105.68330	2.3
106.98131	3.8
125.02444	2.8
134.97578	4.0
148.99100	8.3
152.98659	8.3
164.98637	13.0
206.99722	2.7
225.00760	16.2
255.23302	4.0
401.52859	2.3
817.51459	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
90.76952	0.6
92.10754	1.5
164.74965	0.7
209.11801	3.1
210.12134	1.3
211.12294	1.1
277.21765	1.3
278.22119	1.2
680.25635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10410	0.7
59.01387	100.0
59.15965	0.6
71.01395	3.6
83.53107	0.7
87.00875	0.8
89.02474	2.8
101.02409	0.9
113.02431	1.1
132.51065	0.8
141.01712	34.7
270.66901	1.0
273.22427	1.0
279.23294	9.8
361.23615	3.9
385.21310	0.8
397.13541	8.8
415.14398	1.0
419.11627	1.5
437.12720	4.1
699.35071	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	823.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
83.77196	92.2
138.50757	72.1
143.48872	65.2
145.65263	74.5
265.26331	79.0
277.21915	99.0
291.19791	94.4
298.27899	77.2
501.12451	100.0
522.35638	74.6
560.33362	80.9
729.79980	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95739	0.3
59.01390	100.0
61.98836	0.3
71.01388	3.2
75.80227	0.3
81.73096	0.4
85.02938	0.6
87.00879	0.7
89.02454	2.4
96.99306	0.6
97.02938	0.6
101.02440	1.8
102.98886	0.3
108.72472	0.3
113.02461	0.9
119.03525	0.4
125.02441	0.7
141.01709	33.6
141.07791	0.3
153.01675	0.4
181.86447	0.4
235.08228	0.9
277.21786	8.3
359.22195	4.5
397.08890	0.5
397.13666	9.6
397.18332	0.5
415.14612	2.2
419.11731	2.2
437.12943	3.1
553.47864	0.4
675.35852	1.7
697.33972	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	817.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98830	2.4
69.03448	0.6
71.01379	2.3
73.84525	0.5
88.37216	0.5
89.02446	2.1
89.73861	0.5
90.21175	0.5
96.99303	6.0
97.02954	1.1
101.02451	2.7
102.98866	0.7
113.02441	0.8
120.51366	0.6
125.02430	0.8
132.94438	0.5
139.00366	0.5
141.01711	36.7
153.00534	0.8
181.05017	0.6
257.36877	0.5
277.21722	9.7
345.07007	0.8
359.21997	3.6
397.13641	10.2
415.14713	1.0
419.11188	2.4
437.12894	3.5
488.23965	0.6
540.28247	0.5
675.35913	0.7
697.33411	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	815.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.0
59.01391	87.1
61.34152	2.5
71.01392	76.9
72.99326	3.6
73.02965	19.7
80.53140	2.6
83.01414	6.9
85.02957	32.3
89.02457	44.9
95.01405	4.6
101.02465	43.9
113.02453	25.8
119.03526	13.8
121.02950	4.1
161.04581	12.1
191.05608	3.2
296.84448	3.2
329.30435	3.4
338.09808	2.8
491.35892	4.6
653.41583	12.7
755.42755	6.9
815.46600	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	815.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	3.2
59.01395	85.8
68.10179	2.3
68.99833	3.2
69.29523	2.6
70.05979	3.0
71.01389	63.2
72.99317	5.2
73.02950	22.8
78.06345	2.3
83.01410	6.0
85.02959	31.8
89.02451	29.8
95.01356	3.7
96.99311	3.0
99.00900	4.6
101.02457	44.2
101.54443	2.6
113.02445	27.8
119.03487	9.8
120.99722	2.4
125.02415	5.4
141.01736	5.0
148.23363	2.8
159.02921	3.5
161.04584	11.1
186.25018	2.6
209.11855	21.7
249.09856	10.6
250.82063	2.8
275.06485	3.2
279.68536	2.7
491.36124	3.9
539.93323	3.0
587.64996	3.2
653.41132	12.3
755.42505	10.8
815.46777	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	815.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.2
63.60260	0.5
67.86156	0.6
71.01385	2.8
73.02944	0.7
80.02685	1.0
83.01379	0.6
83.05019	4.2
84.02177	0.8
86.26651	0.5
88.63720	0.5
89.02441	1.3
101.02451	2.7
113.02434	1.2
113.52692	0.5
117.99049	0.6
119.36346	0.6
131.15347	0.6
152.81822	0.6
163.11290	3.7
165.12831	3.1
181.12390	0.8
209.11874	100.0
222.91318	0.6
227.12921	9.0
235.08122	1.4
251.23340	0.6
253.09290	8.0
277.02155	0.7
277.21762	76.7
278.22061	0.9
400.32486	0.7
445.20886	3.1
513.29846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
63.96235	1.1
71.01389	10.8
73.02966	2.6
78.98602	8.0
79.95744	15.2
80.96523	100.0
81.03476	1.0
85.02972	4.5
87.00849	3.6
92.10193	0.6
94.98093	24.7
95.01427	0.6
96.95999	1.1
97.02953	2.7
99.00903	0.5
101.02450	3.4
106.98090	5.4
117.25878	0.5
122.97572	4.4
125.02448	4.6
134.97581	7.1
136.99155	2.3
140.61627	0.6
148.99185	8.1
152.98650	8.2
164.97295	0.7
164.98659	17.2
167.00233	0.6
206.99770	3.8
225.00792	25.8
239.42583	0.5
255.23355	0.9
277.21777	1.0
385.19574	0.6
537.27557	2.1
559.25897	3.1
815.50024	84.0
816.50574	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	815.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.0
58.00611	0.6
59.01385	43.0
64.27167	0.4
65.20318	0.4
69.03468	0.8
71.01384	43.5
72.99311	2.0
73.02949	13.4
73.03355	0.7
83.01394	10.7
85.02954	25.2
85.03461	0.9
86.46065	0.5
87.00880	3.0
89.02439	19.2
92.10065	0.8
93.03426	1.8
95.01385	6.4
97.02955	1.8
99.00880	6.7
101.02443	37.5
111.00935	0.7
113.02453	25.8
119.03492	6.3
121.02988	0.7
122.03730	0.8
125.02488	2.0
129.01851	0.4
131.03465	1.0
142.61266	0.5
143.03508	1.8
149.04520	0.6
152.40353	0.5
159.03015	2.2
161.04559	7.6
191.05617	0.7
221.06596	1.8
225.09203	2.4
335.20300	0.5
337.18121	2.3
345.21149	0.5
353.21286	23.0
356.99478	0.5
371.22372	0.5
498.16501	0.6
515.26563	29.1
533.27869	7.5
620.00616	0.5
659.30804	1.0
677.31897	29.3
695.32990	100.0
696.33136	1.0
713.34198	2.8
737.33838	1.0
755.34827	1.9
815.42975	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	815.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
58.00607	0.7
59.01387	49.6
62.88736	0.8
66.38659	0.8
67.30405	0.7
71.01385	47.5
72.02188	1.3
72.99311	3.1
73.02947	8.9
74.81287	0.6
75.00877	15.2
77.01300	1.2
83.01403	6.6
85.02962	15.5
87.00890	4.1
89.02444	36.0
95.01405	3.8
97.79898	0.7
99.00881	3.5
100.34528	0.7
101.02447	35.1
101.03102	1.4
113.02468	22.9
116.92851	3.1
117.92881	1.3
119.03506	13.4
123.08175	10.4
125.02458	1.2
129.01970	1.2
131.03508	4.8
159.02950	1.3
161.04602	9.1
179.05644	7.5
188.04991	0.7
189.77614	0.9
198.91714	0.8
221.06674	7.3
263.07648	1.5
450.87640	1.0
522.45221	0.9
561.39203	0.9
593.37183	11.7
640.75616	1.0
736.63269	0.9
755.42322	100.0
756.42572	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	815.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.0
58.00596	0.8
59.01387	50.7
61.98839	0.9
71.01383	49.9
72.82330	0.7
72.99297	2.6
73.02945	11.6
75.00849	0.8
83.01394	6.9
85.02954	23.9
87.00896	4.1
89.02444	34.2
92.10136	1.6
95.01392	3.9
97.02976	1.6
97.06607	1.8
99.00890	8.2
101.02447	37.5
111.00919	1.0
113.02460	25.8
115.07648	1.5
119.03489	10.5
125.02497	1.8
129.01945	1.0
131.03520	5.1
135.04526	1.1
143.03548	1.5
149.04573	0.9
149.30403	0.7
159.03036	1.0
161.02417	1.4
161.04562	9.0
163.03989	0.9
171.10208	0.8
179.03687	0.7
179.05611	5.1
191.05658	5.0
200.14970	1.0
209.64644	0.7
221.06676	8.5
288.67636	0.9
755.42358	100.0
756.42499	3.5
815.43018	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	814.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
58.40571	0.3
59.01106	0.7
59.01385	13.0
60.01722	0.7
61.01825	0.4
61.98835	100.0
71.01381	4.4
73.02936	0.7
75.00866	1.4
83.01398	1.3
85.02932	3.2
89.02438	1.5
101.02411	2.6
102.02792	0.4
113.02441	1.9
116.92860	1.8
133.03036	0.3
142.96329	0.4
161.04524	0.7
191.05579	0.6
289.34653	0.4
344.55865	0.5
483.12814	0.4
514.28363	0.6
675.33997	0.6
676.33752	2.2
693.34106	0.5
694.34735	0.8
754.37518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.6
58.00611	0.3
59.01386	17.1
67.01901	0.6
68.99834	2.2
69.03471	1.7
70.25896	0.3
71.01384	15.8
72.99313	4.0
73.02959	2.1
75.00874	17.6
81.03458	0.8
83.01389	1.5
83.05025	0.4
83.22862	0.3
84.02180	0.4
85.02961	18.1
87.00882	7.6
87.01376	0.4
89.02453	4.6
91.03999	0.4
92.10418	1.8
93.03463	2.3
95.01388	5.6
97.02930	0.5
99.00887	11.1
101.02428	0.5
103.00408	2.4
103.04021	0.4
105.01950	0.5
109.02960	0.8
111.00902	1.2
111.04521	0.7
112.01707	0.4
113.02464	21.8
115.00375	1.9
117.01965	3.5
117.03493	0.4
119.05028	1.9
121.02959	96.2
122.03258	0.3
129.01968	1.7
134.03752	1.7
137.02457	0.3
143.03473	0.4
145.02969	1.6
149.00934	0.6
157.01532	0.5
160.01665	0.4
161.02429	0.7
163.04004	3.1
163.05205	0.3
173.04578	0.5
175.02478	2.5
175.04015	0.8
179.03494	0.5
189.04057	1.3
191.05638	1.6
193.05087	0.7
196.30882	0.3
231.05118	5.1
249.06197	47.7
249.87981	0.4
267.07129	1.8
275.59628	0.3
353.08868	1.4
360.59445	0.4
371.09906	100.0
372.10217	0.6
443.12064	1.9
496.59030	0.4
590.09247	0.4
731.20190	0.3
804.55408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
67.01905	0.4
71.01385	0.8
74.82730	0.2
76.57931	0.2
85.02954	6.0
87.00868	1.8
93.03461	4.5
96.96027	0.2
105.03458	0.3
109.02977	0.9
111.04543	0.9
127.03978	1.8
133.02972	3.9
134.03314	0.3
135.04526	2.2
137.02437	0.4
161.02449	2.2
171.03027	0.4
173.04550	2.3
177.01913	0.5
179.03513	1.2
191.05630	100.0
192.06004	1.1
215.05606	1.5
243.40570	0.2
245.54401	0.2
351.07416	2.5
352.07617	0.9
353.08820	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	813.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92475	0.6
58.00603	1.6
59.01386	93.5
69.03474	3.0
71.01390	67.4
72.99321	4.4
73.02955	10.0
81.03492	0.9
83.01390	5.1
85.02962	18.0
87.00867	5.9
89.02453	79.6
92.66331	0.7
95.01382	6.1
97.02941	5.5
99.00887	1.3
101.02446	57.3
113.02454	30.5
114.39640	0.7
115.04047	0.7
115.63033	0.7
119.03504	30.8
125.02441	18.7
127.55547	0.7
131.03513	7.1
136.76030	0.8
137.02441	0.9
143.03503	8.4
143.60011	0.7
146.68251	0.8
149.04550	4.0
161.04572	13.3
167.03456	0.8
179.05630	42.7
193.15965	0.8
221.06714	14.9
237.15007	3.1
263.07687	4.0
305.08893	2.9
323.09869	63.0
331.22827	100.0
429.30170	11.0
471.72495	0.7
615.02271	0.9
655.33405	3.7
753.44049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.6
59.01390	55.4
71.01395	19.7
72.99311	0.9
75.00883	0.7
79.07650	0.6
81.03472	1.3
83.01420	4.2
83.05047	2.6
84.02200	1.5
85.02968	14.3
89.02458	4.3
93.03464	1.0
95.01373	1.2
96.95998	1.0
99.00907	3.6
101.02439	14.7
109.06611	0.8
111.04549	4.2
113.02465	7.3
116.92867	4.3
129.01964	0.9
135.04562	1.2
137.63649	0.7
151.07672	1.1
151.54863	0.8
161.02524	1.0
161.04564	1.4
171.10252	1.1
175.03996	0.9
191.05589	3.2
307.20590	1.1
351.19714	1.0
451.28802	1.1
495.27493	10.0
513.28351	5.0
517.06195	0.7
591.21033	0.8
639.32269	0.8
641.38269	1.5
657.32922	100.0
658.33514	4.3
675.33966	5.7
693.34900	9.7
729.48309	0.8
753.37695	0.9
813.42035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.01394	100.0
62.35390	0.3
63.55598	0.3
67.01882	0.3
71.01396	18.3
72.99340	0.7
73.02951	5.4
75.00868	0.6
75.79743	0.3
78.78522	0.3
81.03469	1.2
83.01389	2.6
85.02968	10.4
87.00896	1.4
89.02460	5.8
95.01369	2.9
97.02949	0.4
99.00877	3.3
101.02449	12.2
109.02968	2.4
113.02469	9.4
113.81429	0.4
116.92896	0.6
119.03501	2.1
126.03190	0.4
127.04022	0.8
143.03494	1.4
149.04567	0.7
159.03003	2.2
161.02521	0.6
161.04581	17.5
171.10321	0.6
178.92020	0.4
179.05588	0.7
191.05627	1.5
205.03590	0.5
225.09175	0.5
353.21228	2.0
463.25198	0.7
513.28705	16.0
531.29584	0.7
657.32874	2.4
675.34039	9.8
681.80975	0.4
693.34796	1.8
709.34747	0.4
753.37372	4.6
813.39563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
71.01384	0.9
72.99314	3.6
73.02946	0.4
75.00874	100.0
85.02940	0.5
89.02443	0.6
101.02453	0.6
102.09307	0.3
150.14722	0.4
167.60994	0.4
183.34378	0.4
196.81238	0.4
232.25754	0.5
434.14761	0.4
518.48218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
58.28489	0.5
59.01393	100.0
71.01392	16.3
72.99316	1.0
73.02957	5.3
74.50013	0.4
76.41626	0.4
80.75573	0.5
81.03459	0.7
83.01408	3.0
85.02967	8.6
86.06362	0.5
87.00864	1.2
88.98813	2.6
89.02452	3.6
93.03452	0.9
95.01404	1.3
99.00902	2.9
99.04548	0.6
101.02436	9.9
109.02994	0.9
113.02452	9.8
116.92874	1.2
119.04996	0.9
127.04004	7.7
127.17371	0.5
143.03471	1.1
156.61221	0.6
159.02998	0.6
161.02483	1.1
161.04572	8.2
179.05634	0.8
182.28661	0.6
191.05620	1.9
205.50310	0.6
225.09222	0.7
241.29828	0.6
263.13086	0.7
395.73242	0.5
480.81366	0.7
513.28699	9.6
540.28265	0.5
613.67181	0.6
623.30554	0.7
641.30701	0.7
675.33997	18.6
693.35602	3.8
753.37238	3.8
809.11597	0.6
813.42474	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	811.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
58.81273	0.3
59.01387	100.0
60.68977	0.2
71.01382	8.3
73.02946	3.6
80.71388	0.2
81.03476	0.5
83.01404	1.8
83.05042	1.9
84.02155	0.4
85.02956	9.9
85.03467	0.5
95.01386	0.7
97.02943	1.5
99.00887	1.5
101.02451	5.1
101.59966	0.3
111.04521	1.5
113.02452	4.4
116.92873	2.8
123.04556	0.4
127.42265	0.3
128.52876	0.3
139.03966	0.5
161.04570	2.2
168.36366	0.3
219.29002	0.3
331.17215	0.3
349.18173	1.5
511.27206	7.9
529.28217	1.6
655.31842	0.5
673.32489	6.6
691.33441	27.1
692.33893	0.4
733.34772	1.5
751.35248	4.2
811.39069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	10.5
59.01387	79.1
67.27296	1.9
71.01382	50.9
73.02945	14.2
81.03493	2.8
83.01404	10.0
83.05041	8.2
84.02177	2.2
85.02955	47.9
85.03459	2.3
87.00888	2.8
89.02443	3.1
95.01392	4.5
96.77570	2.1
97.02949	4.5
99.00896	4.4
101.02444	43.7
111.04527	8.8
113.02473	24.2
123.14195	1.9
143.03450	3.1
159.03017	3.0
161.04564	16.4
161.06064	9.0
175.07645	3.1
270.19345	2.0
298.15561	2.2
304.24759	2.3
351.19867	3.1
366.14548	2.3
369.20810	2.6
387.80374	2.3
495.27527	2.4
513.28809	20.6
643.30859	2.1
657.32910	9.9
675.33984	100.0
711.35675	2.7
717.35071	4.7
753.36908	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	811.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
57.88846	0.4
58.00602	0.8
59.01388	33.5
62.10464	0.4
69.24476	0.4
70.04783	0.4
71.01384	24.1
72.99303	2.3
73.02946	3.5
83.01418	3.4
85.02953	8.6
87.00877	1.7
89.02449	18.9
91.56245	0.5
93.03455	1.7
95.01387	3.1
96.96042	1.9
99.00875	1.7
101.02441	20.2
111.04530	0.6
113.02457	10.1
117.13538	0.4
119.03499	6.5
121.02917	0.4
130.01929	0.5
131.07199	0.4
133.02945	0.7
135.04543	2.4
153.05595	0.8
161.04597	0.6
171.11874	0.4
173.04581	3.6
179.03532	2.1
189.12848	2.1
191.05655	5.0
197.04605	2.0
219.14005	1.6
237.14977	0.8
239.05646	2.8
269.06683	0.5
293.12476	2.1
299.07834	0.7
353.08600	1.0
443.19327	100.0
444.19492	2.0
457.17319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
257.85736	97.9
576.78369	100.0
693.36548	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57835	0.4
59.01375	0.5
78.44614	0.4
78.57169	0.5
84.37678	0.5
92.10777	0.9
153.09236	2.3
188.46567	0.5
218.02438	0.5
244.68333	0.7
277.21826	0.6
455.35410	100.0
456.35562	1.2
621.09937	0.6
722.84698	0.8
810.56512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97642	0.2
60.30437	0.2
61.47654	0.2
83.39105	0.3
116.92887	0.4
183.06734	0.3
238.73468	0.2
307.06268	0.3
316.41968	0.2
324.23120	0.2
455.35413	100.0
456.35870	1.8
472.59464	0.3
492.14459	0.3
536.32684	0.3
566.54266	0.3
572.76160	0.3
618.39502	0.3
790.60608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
58.00613	2.8
59.01387	75.6
62.41979	0.5
65.29518	0.4
69.03474	0.6
71.01386	51.9
71.58665	0.5
72.99322	2.8
73.02956	19.2
83.01424	2.9
85.02948	8.7
87.00896	2.6
89.02448	100.0
95.01387	1.1
97.02970	1.1
99.00883	27.5
101.02443	35.9
102.98589	0.9
113.02451	14.6
115.03987	0.8
119.03494	11.9
125.02469	4.8
127.58577	0.5
129.03696	0.5
131.03503	11.8
143.03546	1.0
149.04556	29.6
151.60333	0.6
161.04593	4.3
171.02762	0.5
179.05623	3.3
191.05630	12.9
191.98746	0.6
195.20363	0.6
221.06700	2.6
251.07758	4.4
261.13400	2.6
283.04755	0.7
293.08710	2.2
311.09937	0.9
392.18115	1.0
393.17725	58.5
394.18198	0.6
415.16147	38.9
519.16064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.7
59.01389	17.2
62.96119	0.4
63.46051	0.4
67.01900	0.8
68.99831	1.0
69.03442	1.5
71.01385	13.7
72.99318	4.5
73.02954	2.0
75.00873	16.4
81.03457	1.1
83.01408	1.8
85.02962	20.4
87.00879	6.1
89.02441	5.8
91.04017	0.4
93.03425	0.9
95.01386	5.1
96.96008	0.5
99.00878	8.4
101.02476	0.9
103.00404	1.9
103.04033	0.4
109.02947	0.6
111.00919	0.7
111.04534	0.7
113.01700	0.8
113.02454	20.2
115.00388	2.1
117.01951	3.1
121.02953	92.4
122.03262	0.4
129.01942	2.1
133.02911	0.6
157.01524	0.4
161.02507	0.5
173.04469	0.6
175.02467	1.0
191.05653	5.2
209.04689	0.5
212.05679	0.4
231.05104	5.6
249.06169	46.2
319.13803	1.5
353.09018	0.8
371.09854	100.0
372.10269	2.4
431.45059	0.5
475.51306	0.5
617.19073	0.7
662.46545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34370	0.4
68.28825	0.3
71.01385	5.9
82.95664	0.3
85.50148	0.3
88.24219	0.3
92.12363	0.4
92.59739	0.3
101.02479	0.4
113.12094	0.4
127.07650	0.6
127.75271	0.4
147.06009	0.4
148.05351	0.7
177.09239	4.9
183.24106	0.3
192.11603	7.8
205.12350	5.2
207.13916	1.8
217.08817	0.5
218.09535	1.8
220.14720	50.6
221.15503	100.0
222.15878	0.8
236.10562	63.2
237.11177	0.7
284.41299	0.4
293.17630	41.2
306.30710	0.4
318.43546	0.4
359.99445	0.4
431.37183	0.4
700.81476	0.4
801.92847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
58.00607	0.7
59.01389	42.2
69.03483	0.3
71.01389	21.7
71.02866	0.2
71.05047	0.4
72.99326	1.6
73.02961	3.0
83.01390	2.7
85.02965	7.2
87.00909	0.6
89.02458	20.9
93.03461	0.5
95.01419	1.5
97.06600	0.6
99.00923	0.5
101.02452	16.7
107.80569	0.4
113.02468	8.9
119.03505	6.8
125.08096	0.3
130.08754	2.5
131.03534	0.6
132.04559	0.5
133.10234	2.0
135.11819	17.5
137.02451	0.4
143.03450	0.4
143.11955	1.4
144.04561	1.3
147.11838	1.5
149.09753	0.5
151.19514	0.3
161.04590	0.7
165.12915	0.7
179.05656	0.6
187.10884	0.3
191.05624	1.4
202.89072	0.3
209.11848	0.7
227.12904	1.3
389.18265	100.0
390.18622	1.7
405.14069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62366	0.3
60.07447	0.3
60.74877	0.4
62.33296	0.3
63.33788	0.3
70.16236	0.3
72.88943	0.4
79.59369	0.4
82.16273	0.4
97.06657	0.4
117.83981	0.4
270.40747	0.4
316.07346	0.5
369.43402	0.5
453.34076	0.7
469.33405	0.6
501.36014	100.0
502.36444	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	805.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59314	0.4
58.91662	0.4
59.01391	2.2
64.34315	0.4
67.01913	0.8
71.01385	0.5
76.57396	0.5
85.02942	0.6
89.02489	0.7
92.10123	1.8
93.03458	4.0
101.02473	0.7
107.05068	0.7
108.02158	0.6
109.02966	5.7
113.02489	0.6
123.00893	1.8
123.04522	0.5
124.01663	1.0
126.17184	0.5
133.02959	0.8
134.03735	0.7
135.04552	2.8
136.01659	1.9
137.02449	36.9
138.03282	0.5
139.00398	0.6
139.04053	0.6
149.02419	2.3
150.03209	3.8
150.99298	0.8
151.00392	10.5
151.04042	4.0
152.01195	1.0
152.04814	2.8
153.01953	0.9
159.04532	0.8
161.02388	1.0
162.03250	0.7
163.04021	1.9
164.01157	2.1
164.04704	1.0
165.01939	100.0
165.05556	6.1
166.02724	33.6
167.03491	3.9
175.04031	2.2
177.02011	3.6
177.05580	1.9
178.02705	2.0
179.03519	25.5
180.04301	58.1
181.05087	39.0
184.03741	1.8
187.04022	2.4
190.06299	1.8
191.03406	1.8
191.05638	1.8
192.04263	0.6
193.05103	1.8
194.05888	3.9
195.02940	3.0
195.06648	62.5
197.06432	0.5
199.09790	0.5
203.03453	0.6
205.05075	5.6
206.05759	0.5
207.06622	0.9
210.05396	11.3
219.06697	0.9
220.07419	3.6
225.07722	34.4
227.90065	0.5
253.05334	0.5
297.04266	0.5
316.68564	0.5
341.09830	0.5
345.09656	0.7
351.07285	0.6
359.11331	2.3
371.11404	0.6
372.12109	1.1
386.13693	0.6
387.10403	6.5
387.14728	2.9
402.13113	4.0
403.14081	1.0
416.14841	2.0
417.15631	37.9
519.37567	0.5
565.17999	2.1
580.19476	0.7
595.21960	41.4
596.22052	0.9
643.24060	19.2
805.40204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53686	0.6
59.01391	4.1
61.98851	1.0
62.47081	0.6
71.01403	1.8
75.28987	0.6
85.02951	1.3
88.98808	0.7
89.02472	3.6
90.33030	0.7
93.03467	3.2
96.55265	0.7
96.96034	1.0
101.02454	1.7
109.02947	1.3
113.02508	1.0
121.02972	1.5
123.00925	0.9
135.04553	1.4
137.02452	18.6
150.03220	3.2
151.00430	7.1
151.04079	1.5
165.01939	100.0
165.05621	1.7
166.02728	20.2
167.03491	0.8
175.04057	1.5
177.02005	1.4
179.03523	18.1
180.04301	64.3
181.05066	17.8
191.03482	0.9
191.05605	3.3
192.91251	0.8
193.05051	0.8
194.05824	1.5
195.02972	3.2
195.06648	75.4
205.05124	1.7
210.05374	15.3
225.07718	59.1
371.09415	0.9
387.10886	4.9
387.14816	3.6
402.13348	1.9
417.15668	19.5
502.26672	0.8
595.22046	6.7
643.24207	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	803.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43420	0.2
59.01397	1.0
62.11537	0.2
67.01911	0.4
67.02541	0.2
71.01402	1.0
81.03510	0.2
85.02963	6.9
87.00871	1.5
93.03458	4.5
96.96017	6.7
105.03462	0.4
109.02972	1.2
111.04562	1.7
115.98209	0.3
122.28963	0.2
123.04526	0.3
127.04039	1.8
133.02969	6.5
134.03357	0.3
135.04532	2.4
161.02477	2.1
171.03003	0.3
173.04594	3.2
177.01988	1.4
179.03506	1.6
191.05652	100.0
192.05974	1.4
195.56181	0.2
202.96284	0.2
215.05672	1.6
307.08142	0.3
323.75961	0.2
329.17245	0.3
351.07278	5.2
353.08868	11.5
390.63010	0.2
398.64636	0.2
487.21933	0.3
648.31897	0.3
798.54926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.8
59.01384	16.1
61.19041	0.3
66.41052	0.2
67.01889	0.6
68.99825	0.6
69.03471	0.4
71.01381	18.1
72.99321	3.2
73.02947	0.7
75.00870	13.9
75.01299	0.5
77.78478	0.3
83.01378	0.5
85.02952	20.1
85.09344	0.3
87.00866	6.9
89.02437	8.0
91.04008	0.4
93.03455	0.7
95.01385	5.0
96.96004	1.6
98.44307	0.3
99.00881	10.5
99.95899	0.3
101.02455	1.2
103.00378	2.4
109.03015	0.4
111.00919	0.6
113.02453	24.1
113.06087	28.0
115.00362	1.9
117.01946	2.7
121.02953	5.0
129.01924	1.6
131.03511	0.7
135.04543	0.4
137.09763	0.4
149.04555	0.4
155.10780	1.2
156.78880	0.3
173.04556	0.4
175.02448	2.2
189.03976	0.4
191.05663	2.7
194.98012	0.3
199.09828	0.4
201.11325	1.1
205.07207	1.8
207.05095	0.5
223.08334	0.5
231.05186	1.4
237.04099	0.4
249.06177	16.6
267.07245	27.1
303.10822	0.4
345.11749	0.3
363.13022	100.0
364.13269	1.7
385.74438	0.3
479.21518	0.4
600.46411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.2
59.01386	37.5
61.98845	2.5
71.01382	65.1
71.01777	2.4
73.02943	15.3
75.07153	1.5
76.58440	1.4
83.01405	13.7
85.02954	34.6
86.96773	1.3
87.00887	3.1
89.02447	16.8
95.01384	7.3
96.38489	1.3
97.02979	2.0
99.00893	10.5
101.02437	49.5
113.02451	24.2
117.30641	1.3
119.03530	7.2
121.02935	2.7
122.28345	1.4
123.00858	1.4
125.02390	1.7
131.03448	1.7
159.02957	5.6
161.04521	12.1
235.91023	1.7
296.03955	1.6
313.38345	1.6
426.71091	1.5
562.69592	1.7
579.39258	17.3
741.44427	100.0
801.46448	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	801.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
57.25519	1.3
59.01384	33.1
61.98843	1.8
71.01382	26.1
73.02947	4.1
73.65144	1.6
83.01405	6.6
85.02990	11.7
87.00855	1.6
89.02473	9.2
95.01384	2.5
101.02438	19.6
113.02467	8.9
119.03518	1.8
161.04633	2.1
191.05652	2.4
199.44508	1.8
270.60199	1.6
459.35181	3.3
507.15900	2.1
621.40741	2.8
646.78821	2.3
712.37671	1.8
741.44745	8.0
801.46674	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	801.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.9
61.98836	1.9
71.01391	4.2
71.38417	0.8
73.02953	1.3
83.05041	4.3
85.02988	1.1
87.52489	1.0
89.02458	2.0
101.02444	3.9
108.75370	0.9
124.27200	0.9
125.09689	1.3
127.11314	1.6
128.37901	0.9
132.64845	0.9
132.69461	1.0
137.09662	1.2
151.79301	0.9
163.11258	1.8
165.09196	1.3
165.12915	1.6
171.10237	1.1
193.63165	1.1
201.11354	41.6
204.92159	1.0
209.09846	1.8
209.11871	80.5
227.12990	7.2
235.08257	5.4
253.09380	11.6
277.21756	100.0
278.22296	1.0
437.20715	2.1
445.94516	1.0
457.31039	1.0
512.28015	1.0
513.31171	1.7
518.24542	1.0
674.83643	1.0
680.24274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	2.5
59.01392	64.4
61.98819	1.8
62.63647	1.3
69.03477	2.2
71.01392	59.5
72.99342	2.3
73.02960	17.1
75.00912	1.7
83.01424	7.4
85.02962	24.1
87.00898	3.8
88.98795	2.4
89.02450	54.7
93.03487	6.9
95.01453	2.6
96.96030	2.3
97.02975	2.7
99.00902	19.0
101.02448	33.4
105.11356	1.5
109.02968	1.9
111.00921	2.3
113.02464	23.6
113.30206	1.4
119.03530	6.9
119.05011	3.7
125.02455	8.6
127.47885	1.7
131.03529	3.6
133.03000	2.7
134.03784	6.9
134.89502	6.1
135.04532	6.0
137.02469	7.2
139.79800	1.4
142.04372	1.6
143.03523	1.9
149.04544	2.1
153.17570	1.6
160.01653	3.7
161.02464	3.3
161.04590	5.5
173.04610	2.7
175.04025	9.1
179.03423	1.6
191.05659	34.8
193.05032	3.4
284.25522	1.6
304.78522	1.9
345.30081	1.6
422.81744	1.6
507.35388	2.0
609.16315	1.8
641.06903	2.2
669.41052	3.3
801.45245	100.0
808.54889	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	800.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.7
59.62709	0.1
60.01708	1.0
60.22054	0.1
61.01823	0.3
61.98837	100.0
62.96457	0.1
66.98378	0.1
71.01382	0.7
72.01742	0.2
83.01409	0.1
84.75826	0.1
85.02969	0.3
101.02452	0.6
113.02463	0.2
118.51215	0.1
128.72137	0.1
159.03128	0.1
161.04581	0.5
189.87766	0.1
198.96983	0.1
200.99982	0.2
213.22302	0.1
217.06299	0.1
220.48404	0.1
220.83549	0.1
317.22650	0.1
431.03891	0.2
498.29807	0.2
661.34869	1.5
662.35419	1.6
740.40027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48143	0.4
59.01394	0.4
71.01393	0.6
81.79121	0.3
85.02959	6.9
87.00910	1.6
91.25108	0.4
93.03475	3.2
96.45664	0.4
96.96030	3.3
105.03461	0.6
109.02938	0.6
109.53123	0.4
111.04543	1.8
127.04049	1.7
133.02974	7.2
134.03345	0.4
135.03513	0.6
135.04536	14.1
152.62332	0.4
155.03537	0.7
161.02513	2.9
173.04573	2.6
177.01953	2.0
179.03546	9.1
191.05652	100.0
192.06024	0.8
215.05754	0.4
242.26816	0.4
351.07254	2.8
353.08853	15.9
377.05692	0.7
381.92221	0.4
509.86581	0.4
559.33948	0.5
675.11792	0.4
718.95105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
58.00613	1.4
59.01384	50.9
61.98842	8.3
67.18714	1.3
69.03470	2.1
71.01383	44.0
72.99319	3.4
73.02939	17.3
75.00891	1.7
83.01398	7.4
85.02947	19.0
87.00880	6.0
89.02441	33.7
89.02949	2.4
95.01376	1.7
97.02961	2.4
99.00858	13.1
101.02437	34.1
111.00877	1.9
113.02451	16.6
113.06118	1.5
115.04010	2.0
117.56004	1.6
119.03460	2.8
125.02444	2.5
129.04359	1.9
137.02449	1.6
160.01563	5.1
161.04559	2.7
173.04733	1.6
175.04048	3.2
183.28265	1.9
191.05678	6.9
345.30090	8.9
352.89771	1.7
507.35379	3.1
549.99371	1.7
669.41150	3.2
763.32678	2.1
801.45087	100.0
827.55865	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	800.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.2
59.28883	0.1
60.01715	0.9
61.01809	0.7
61.98834	100.0
71.01378	1.2
72.01695	0.1
73.02949	0.5
74.17120	0.1
75.12067	0.1
83.01389	0.2
85.02955	0.7
91.57421	0.1
91.60791	0.1
101.02429	0.8
102.02758	0.1
111.04511	0.2
112.61692	0.1
113.02444	0.7
120.91766	0.1
161.04543	0.5
196.07649	0.1
245.05974	0.1
498.29135	0.1
499.29730	0.2
527.55383	0.1
660.34888	0.6
661.35126	1.2
662.35663	1.6
740.40240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64754	0.1
59.01394	10.3
60.01723	1.0
61.01807	0.4
61.98843	100.0
71.01386	1.8
72.01740	0.2
73.02963	0.8
75.76105	0.2
75.76625	0.1
83.01405	0.3
83.05067	0.2
85.02947	1.2
91.62255	0.2
92.10776	0.6
99.00905	0.2
101.02435	1.2
111.04532	0.2
113.02456	0.7
119.57704	0.2
132.51108	0.2
161.04546	0.9
162.04916	0.2
182.31523	0.2
412.13458	0.2
493.21997	0.2
498.29730	0.2
499.29489	0.3
660.34277	0.2
661.35065	0.9
662.35474	1.4
740.39008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
58.00601	1.8
59.01389	60.6
71.01391	57.7
71.01771	2.0
72.72929	0.8
72.99312	1.4
73.02955	15.7
83.01408	7.0
84.12543	0.9
85.02967	23.1
86.10356	0.8
87.00903	5.9
89.02447	42.7
89.20757	0.8
95.01406	4.8
97.02953	1.6
99.00903	3.7
101.01790	1.6
101.02453	47.2
101.03091	1.7
111.00901	0.8
113.02461	25.0
119.03513	14.6
122.80438	0.9
125.02439	3.8
131.03522	5.0
143.03543	4.6
159.02998	1.9
161.04546	15.3
179.05623	12.8
204.96811	1.0
221.06686	7.5
222.56071	1.0
340.31708	1.1
373.72614	1.0
491.84186	1.0
496.35339	0.9
577.38098	2.1
624.72632	1.1
653.35535	1.4
739.42871	100.0
799.45239	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	799.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.3
59.01385	58.9
71.01381	64.2
72.99313	3.3
73.02945	22.2
73.22879	2.0
83.01402	9.4
85.02945	27.6
87.00877	3.8
89.02437	43.7
93.03518	2.1
95.01395	4.9
97.02982	2.5
97.06625	4.8
99.00906	15.8
101.02428	46.9
113.02451	24.3
119.03496	3.4
125.02438	2.7
129.10777	2.0
135.04524	9.1
143.03531	2.6
149.04564	3.4
161.04562	2.9
191.05676	3.3
316.38800	2.4
343.28439	3.1
637.37970	3.7
667.38678	3.2
799.28271	3.3
799.43488	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	799.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.6
58.00605	1.4
59.01387	44.3
62.04639	0.3
69.03488	0.6
71.01384	44.8
72.99318	2.2
73.02946	9.7
75.00864	0.3
75.50726	0.3
79.93732	0.3
83.01395	6.4
85.02953	19.2
87.00883	3.8
89.02445	27.0
95.01398	5.2
97.02985	1.4
97.94881	0.3
99.00878	4.3
101.02444	32.6
113.02454	22.3
113.03253	0.6
119.03506	8.1
125.02460	1.9
131.03531	3.8
143.03491	2.4
159.02979	2.2
161.04570	11.3
167.83273	0.3
179.05630	5.9
221.06705	6.4
260.06363	0.3
263.07666	2.7
577.37927	2.0
739.42908	100.0
740.44019	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	797.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47612	0.8
59.01384	1.2
59.28701	0.8
67.20847	0.7
69.03454	1.0
72.88370	0.8
97.02969	8.1
97.06590	0.9
119.08670	0.9
133.18738	1.2
137.09734	1.8
165.12836	4.1
171.10289	8.3
181.12444	1.2
193.12413	3.4
195.14052	1.2
209.11841	1.8
211.13483	1.8
227.12938	1.5
247.20773	3.7
273.18759	1.3
291.19705	27.6
309.20752	67.2
409.31042	1.0
437.99509	1.2
487.34384	100.0
488.34732	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	799.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03234	0.5
57.03463	5.9
58.00612	1.4
59.01395	73.1
61.98852	1.1
67.01918	0.7
69.03488	3.3
71.01394	57.8
72.99340	4.4
73.02956	22.7
74.84644	0.6
75.00895	0.9
76.48099	0.6
76.95378	0.6
83.01396	12.3
85.02966	30.4
85.03462	1.4
87.00906	4.8
87.04596	0.8
89.02457	31.6
93.03494	3.7
95.01392	12.5
96.96020	0.9
97.02983	4.7
99.00878	7.4
99.04512	0.7
101.02448	44.6
109.02956	1.0
111.00919	1.4
113.02459	26.4
119.03510	8.6
121.02924	1.0
122.03703	1.5
123.04517	0.9
125.02464	1.8
127.04042	0.9
129.01968	1.1
131.03535	1.1
135.04510	0.9
143.03513	1.2
149.04608	0.9
159.03065	3.0
161.04576	7.3
173.04494	0.9
191.05676	3.7
225.09233	3.1
249.18671	0.9
337.18091	1.7
353.21289	22.3
483.24100	0.9
491.26764	3.6
499.27072	28.4
517.28156	6.0
535.29327	1.0
626.32782	1.5
637.37836	1.1
643.31213	1.1
661.32410	62.0
662.33264	1.0
679.33478	100.0
680.33679	1.7
695.33130	1.1
697.34454	13.0
721.34698	4.8
727.88086	0.9
739.35553	15.7
740.35742	1.0
791.48755	0.8
799.43591	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	799.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.8
58.00621	1.3
59.01390	70.4
61.98859	2.2
71.01387	58.4
71.13824	1.1
72.99303	1.7
73.02941	16.6
83.01398	8.5
85.02963	33.3
87.00893	2.9
89.02440	29.5
93.03455	5.6
95.01395	8.0
96.96004	2.3
97.02953	3.0
99.00873	9.2
101.02448	41.8
111.00943	1.5
111.55553	1.4
112.48587	1.3
113.02452	21.9
116.92902	2.2
119.03496	5.3
119.05045	1.7
121.02866	1.3
125.02467	2.2
133.02940	1.5
135.04524	1.9
137.02411	1.7
143.03493	1.3
161.02463	1.8
161.04541	7.1
178.45813	1.3
179.05643	1.4
191.05580	5.7
193.05179	1.4
210.02797	1.3
225.09302	1.8
337.18060	1.6
353.21353	16.8
499.27106	33.9
517.27911	6.2
643.31519	2.0
661.32471	47.8
662.31708	1.5
679.33545	100.0
680.33875	1.9
697.34985	5.6
739.35950	7.3
799.42889	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	797.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.7
63.16470	1.0
70.55140	0.9
71.01402	5.0
73.02978	1.8
85.02966	4.8
87.00889	34.2
87.01378	2.1
90.75814	1.0
95.71456	1.1
97.99280	1.0
111.00928	1.4
123.00884	2.4
149.02446	1.8
161.02467	2.6
163.04031	13.1
164.04811	9.3
165.05597	1.9
166.02730	4.8
175.04074	2.5
176.04791	8.1
177.02010	1.3
177.05447	1.8
178.06367	10.8
179.03503	2.8
179.07137	17.9
181.05035	6.7
189.05722	1.7
191.03519	11.7
191.07167	4.7
193.05132	5.1
193.08696	1.7
194.05823	6.3
202.26974	1.2
203.03555	6.1
205.05045	4.8
206.05949	2.8
207.06644	2.0
209.08202	8.2
218.05911	1.6
219.02997	2.1
221.04570	1.8
221.08173	5.3
234.05278	1.5
235.06189	1.4
237.07704	2.5
238.04819	2.1
247.02444	2.0
247.06209	2.4
249.07698	4.8
251.09285	2.5
261.07690	1.5
262.04803	9.3
265.07196	40.4
277.07193	19.2
295.08273	24.7
355.10406	7.6
383.10034	2.6
401.10980	100.0
624.73175	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	797.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05677	0.2
58.78472	0.2
59.01384	1.1
61.56124	0.2
63.16392	0.2
71.01392	13.5
85.02998	0.3
89.02437	0.5
90.52973	0.3
92.10362	2.2
93.03479	0.7
96.96014	1.7
102.04602	0.2
115.00385	5.0
115.37059	0.3
119.05034	59.3
120.99712	0.3
121.02962	1.5
121.09023	0.3
134.42854	0.4
135.04546	0.4
161.02432	0.3
163.04030	100.0
164.04376	1.1
191.03975	0.4
191.05656	2.5
208.49423	0.3
230.19736	0.3
249.06200	0.6
256.99011	0.3
279.05176	7.4
354.82446	0.3
371.09900	1.2
433.37567	0.3
646.60779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05677	0.2
58.78472	0.2
59.01384	1.1
61.56124	0.2
63.16392	0.2
71.01392	13.5
85.02998	0.3
89.02437	0.5
90.52973	0.3
92.10362	2.2
93.03479	0.7
96.96014	1.7
102.04602	0.2
115.00385	5.0
115.37059	0.3
119.05034	59.3
120.99712	0.3
121.02962	1.5
121.09023	0.3
134.42854	0.4
135.04546	0.4
161.02432	0.3
163.04030	100.0
164.04376	1.1
191.03975	0.4
191.05656	2.5
208.49423	0.3
230.19736	0.3
249.06200	0.6
256.99011	0.3
279.05176	7.4
354.82446	0.3
371.09900	1.2
433.37567	0.3
646.60779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01385	100.0
71.01384	18.8
73.02953	8.3
75.95715	1.2
83.01377	2.4
85.02978	10.9
95.01373	1.8
99.00909	1.6
101.02459	12.1
104.18132	1.5
106.37772	1.3
113.02466	11.4
118.20413	1.4
129.85193	1.5
132.45450	1.3
147.16486	1.4
159.02831	1.7
160.01724	1.6
161.04543	16.2
220.67754	1.6
225.02084	1.4
364.37930	1.4
422.38962	1.6
497.29004	12.7
556.42651	1.5
659.34540	30.6
674.49011	1.6
677.35193	3.0
737.36859	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	793.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71662	3.4
59.01381	8.3
64.31726	3.7
66.34630	4.0
71.01373	7.6
85.03522	4.9
171.10289	18.9
184.51463	4.1
194.05649	4.0
199.09837	6.1
201.11336	6.1
207.10315	8.0
225.11285	5.5
277.21829	100.0
695.39966	5.2
721.42645	5.7
757.43909	9.2
791.84564	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	795.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
76.19628	0.4
92.89230	0.4
99.92587	7.3
110.86826	0.4
116.92870	100.0
116.97256	9.8
117.92854	0.8
160.84192	1.0
162.83981	0.5
200.43764	0.5
217.04710	0.5
337.19199	1.7
437.92526	0.6
827.89996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58182	0.1
59.01387	0.3
69.21868	0.1
73.02962	0.6
99.00904	0.2
99.92583	7.2
114.93427	0.6
116.92863	100.0
117.01930	1.1
117.92857	0.5
125.23367	0.1
132.08186	0.1
135.04523	0.1
151.04022	0.9
155.10823	0.1
159.92343	0.1
179.03552	0.2
191.05597	0.6
199.65736	0.1
216.05019	0.1
218.83258	0.1
381.61493	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	793.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.4
63.21587	0.2
64.06203	0.2
66.98885	0.2
72.57174	0.2
73.02966	0.4
92.10114	0.6
95.76998	0.3
99.92587	7.5
101.55721	0.2
102.96169	0.3
109.07481	0.2
114.62652	0.2
116.92860	100.0
116.97238	7.3
117.01943	0.6
117.92861	0.5
181.04868	0.3
330.71341	0.3
335.17682	1.2
353.23441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	4.0
62.94678	3.0
68.83255	3.9
125.46015	3.8
171.10294	89.7
183.61800	3.8
184.38264	4.0
191.40445	3.7
207.10269	15.9
220.64223	4.1
225.11334	35.8
253.09389	16.3
277.21722	100.0
303.14063	4.2
354.90646	4.7
393.96790	4.5
407.19330	9.0
443.19113	4.5
461.20636	16.4
572.66974	4.7
721.41925	20.3
767.57159	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	793.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16934	5.3
59.01382	32.7
63.78564	5.7
71.01399	23.7
73.02932	6.8
96.50520	5.4
100.37480	5.7
158.28244	6.6
171.10263	54.8
178.35199	5.8
181.12344	7.6
187.62230	6.1
189.08549	6.8
199.09764	23.2
201.11336	85.0
207.10266	26.7
225.11311	50.7
253.09161	11.4
277.21823	100.0
461.20078	9.6
539.27991	7.6
757.43738	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.6
59.42242	4.0
71.01382	21.0
101.02454	5.6
130.69572	5.0
151.51340	5.0
152.01646	5.2
171.10240	36.6
179.42567	6.7
199.09811	28.3
201.11290	41.4
207.10220	23.4
225.11334	31.8
253.09253	7.8
277.21698	100.0
397.59433	5.4
461.20831	6.3
695.40558	8.2
715.14117	6.3
721.42041	11.9
757.44025	20.6
768.84528	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	791.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65602	14.1
59.62762	14.7
65.85805	14.4
79.10935	15.0
82.93223	15.3
92.10850	64.7
95.45554	17.7
105.09719	15.2
126.66639	16.4
131.11426	16.8
209.11823	100.0
277.21844	38.7
439.32410	41.7
445.73004	17.8
542.61169	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	793.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.1
56.28333	0.1
59.01384	0.2
71.01358	0.1
73.02946	2.1
75.00869	0.2
81.13284	0.1
89.51645	0.1
89.58383	0.1
93.07011	0.1
93.13071	0.1
99.00876	1.7
99.92583	7.2
104.20187	0.1
114.93388	0.6
116.92859	100.0
116.97229	0.7
117.01936	3.3
117.05519	0.1
117.92882	0.6
140.18620	0.1
286.12418	0.1
334.63394	0.1
455.05621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00767	2.6
59.01372	23.7
59.19242	3.0
61.43481	3.2
61.98845	5.6
62.74321	2.6
62.88734	2.7
71.01393	20.6
72.68638	3.1
73.02940	3.6
73.61786	2.6
73.82200	2.8
77.34012	2.7
81.46092	2.7
83.01393	3.9
84.90324	2.7
85.02962	6.7
89.02441	11.8
89.38116	3.7
92.10749	4.0
96.96017	45.6
101.02454	14.7
113.02473	4.2
119.01335	4.5
121.02972	7.6
137.02432	4.3
141.65289	2.9
147.00946	3.3
149.02454	51.8
161.04562	3.1
164.04845	40.8
165.01923	4.1
175.00365	32.2
190.02745	100.0
191.05719	5.5
205.05093	83.6
223.06104	33.2
249.37732	3.4
269.86230	3.7
289.09201	3.5
441.33969	3.5
449.41309	3.7
738.70825	3.8
791.33533	87.0
792.31482	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	791.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
59.01390	15.8
61.98835	8.2
65.38197	0.9
68.55815	1.1
71.01380	12.1
71.25011	0.9
71.90415	1.0
72.99298	1.1
73.02968	1.5
77.37660	1.2
82.80856	1.0
83.01389	2.6
85.02956	8.9
87.00902	1.6
89.02433	5.7
93.03452	1.5
96.96030	2.1
97.76505	1.2
99.00867	1.5
101.02439	13.8
109.03082	1.0
113.02450	7.4
117.03429	6.8
119.05009	1.3
125.01023	1.2
125.02394	1.3
132.02165	22.0
133.02946	1.4
134.03743	71.2
135.04503	5.7
137.02409	1.7
149.06047	6.2
160.01672	100.0
161.02425	2.5
161.04555	2.2
175.04024	89.1
178.02693	4.9
185.49921	1.1
191.05571	1.5
193.05072	43.1
194.05389	1.1
205.05055	1.3
235.06082	4.2
337.09375	1.3
608.99530	1.2
791.33429	61.7
792.34839	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	791.4
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01410	8.8
61.54814	9.4
71.01359	11.7
73.73533	7.9
86.16326	9.2
89.02454	9.4
93.99535	9.6
112.88928	8.2
125.09737	9.1
136.37166	10.9
151.11322	9.9
160.89265	9.7
165.75690	9.9
171.10300	43.2
179.10927	14.0
199.09775	32.5
205.08690	15.0
223.09776	64.4
259.76883	8.9
267.96567	12.0
272.02606	10.5
277.21692	100.0
321.97849	9.2
505.46338	10.7
695.39874	22.4
719.39929	42.2
737.41895	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.6
59.01394	53.6
61.98846	4.6
71.01389	50.9
72.99310	4.3
73.02979	18.1
83.01408	14.3
85.02974	22.4
87.00930	4.5
89.02458	26.1
89.65556	2.7
93.03460	7.9
95.01435	4.5
96.96029	17.2
99.00991	2.8
101.02441	41.3
113.02466	21.7
116.92871	4.3
119.03523	6.2
125.02436	6.0
131.38527	3.5
137.02448	7.5
138.03284	4.9
145.03006	3.6
149.02412	2.9
150.03227	25.4
151.04016	21.5
153.01941	6.9
155.10901	3.8
161.02487	16.1
161.04550	11.8
162.03172	5.0
163.03990	3.2
165.02010	5.2
165.05626	19.7
166.02763	20.0
167.03445	3.5
173.04604	4.1
175.03943	5.4
177.01872	5.5
177.05643	5.4
179.03491	7.1
181.05040	5.5
186.82307	3.0
190.02702	5.7
191.03502	4.6
191.05632	19.9
191.22928	2.9
192.04385	3.8
195.06593	7.6
203.03650	4.2
205.04974	4.6
207.06699	5.3
207.93330	3.4
218.05922	6.4
221.04568	6.9
236.06856	4.7
255.11415	4.1
337.09830	4.3
353.21243	23.6
375.24948	3.6
387.15524	3.7
417.11981	7.1
432.14249	57.5
515.26385	27.0
533.27338	5.6
560.41620	3.5
629.22290	27.9
677.31732	33.2
695.33112	100.0
791.32959	72.1
794.50214	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	791.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.2
59.01388	100.0
70.29369	0.7
71.01416	1.0
72.99323	3.4
76.51723	0.8
85.02950	0.9
87.00881	48.2
89.02445	1.4
92.10858	2.3
93.03472	1.1
96.96020	1.5
103.00377	51.2
112.98805	1.1
121.02964	95.8
130.99876	37.9
133.02992	1.0
137.02444	0.8
152.96645	0.7
153.98895	0.7
167.13493	0.7
191.05634	4.5
253.03586	70.0
610.40765	0.8
751.14728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03437	1.4
59.01385	41.7
59.70049	0.9
64.92995	0.9
69.03437	1.3
71.01380	43.7
71.05025	2.7
73.02950	16.1
75.96670	1.0
83.01396	4.8
83.05042	4.6
85.02944	16.2
87.00879	2.3
89.02436	34.5
95.01382	1.7
96.96019	1.4
97.03003	2.3
99.00876	14.3
101.02435	30.8
101.06082	11.5
105.01130	1.0
113.02445	17.1
115.04001	1.9
119.03511	2.3
125.02444	4.3
131.03500	5.3
135.37053	1.3
149.04572	6.0
159.02980	1.5
161.04585	16.1
191.05647	5.8
195.59834	1.0
195.61935	1.5
233.06636	4.6
255.21745	1.1
263.11392	4.8
293.08838	1.8
323.13516	13.0
395.15631	100.0
411.23987	1.2
754.34790	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
67.82597	0.2
71.01399	1.0
73.02946	0.3
78.83526	0.2
85.02951	6.5
87.00872	2.1
89.02505	0.3
93.03461	2.8
96.96020	0.6
101.02445	0.3
109.02962	0.6
111.04529	1.2
127.04028	2.3
127.04855	0.2
131.07065	0.3
133.02942	1.6
135.04533	2.0
161.02423	2.0
171.03049	0.3
173.04590	2.3
179.03421	0.8
191.05638	100.0
192.05962	1.1
293.12411	1.1
343.73187	0.2
351.07114	0.5
353.08850	12.4
708.36993	0.3
732.46161	0.3
771.82483	0.3
779.08856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
67.82597	0.2
71.01399	1.0
73.02946	0.3
78.83526	0.2
85.02951	6.5
87.00872	2.1
89.02505	0.3
93.03461	2.8
96.96020	0.6
101.02445	0.3
109.02962	0.6
111.04529	1.2
127.04028	2.3
127.04855	0.2
131.07065	0.3
133.02942	1.6
135.04533	2.0
161.02423	2.0
171.03049	0.3
173.04590	2.3
179.03421	0.8
191.05638	100.0
192.05962	1.1
293.12411	1.1
343.73187	0.2
351.07114	0.5
353.08850	12.4
708.36993	0.3
732.46161	0.3
771.82483	0.3
779.08856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	2.0
59.01390	100.0
71.99942	0.4
72.99308	3.4
87.00880	51.3
89.75808	0.4
103.00378	51.9
105.57933	0.4
111.61140	0.4
112.98842	0.8
119.05038	4.5
121.02962	92.2
122.03287	0.5
122.06126	0.8
125.42257	0.4
130.99875	43.9
146.14792	0.4
148.44450	0.4
163.04030	3.0
163.06396	0.7
191.05576	0.9
195.05341	0.5
195.40683	0.4
253.03575	65.1
254.03952	0.5
285.12476	6.0
295.04947	0.4
325.09052	0.4
387.11676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52328	0.3
62.13645	0.4
67.54903	0.3
88.04059	0.3
97.91207	0.3
128.99069	0.4
129.26949	0.3
203.14517	0.4
223.30833	0.3
284.51163	0.3
305.21146	0.4
407.29584	2.4
409.30765	0.5
421.31259	0.7
439.32224	1.4
441.33939	1.6
457.33594	0.5
467.31775	0.6
485.32825	100.0
486.33356	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	787.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
59.01387	1.4
65.80399	0.3
68.99825	2.8
71.01384	1.4
72.02505	0.3
72.97548	0.6
73.01183	11.2
73.02949	0.3
83.01395	3.7
85.02995	0.7
87.00898	0.5
89.02444	0.6
90.98604	100.0
91.98968	0.4
92.65434	0.3
93.03409	0.4
99.00854	0.4
101.02432	0.6
102.39697	0.3
117.00179	10.9
119.05032	10.3
121.02963	30.8
131.96846	0.3
132.99675	3.8
133.02974	0.4
135.04579	0.4
141.08736	0.4
160.99165	26.7
161.02382	1.7
191.03503	7.6
191.05579	2.3
235.53894	0.3
244.77567	0.3
249.75755	0.3
252.91338	0.4
283.02872	32.7
283.11804	0.5
290.11826	0.4
678.01843	0.4
775.84186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38140	3.1
59.01384	35.2
61.98835	31.5
64.08344	4.3
71.01402	25.8
72.99312	4.7
81.25634	3.9
83.01418	4.1
85.02959	9.5
87.00927	4.4
87.60719	3.7
89.02460	18.1
96.96033	7.6
101.02455	16.5
113.02481	5.2
125.02502	4.6
135.04588	4.8
144.24675	3.9
147.56531	4.8
179.05632	4.2
191.05618	16.8
320.19891	4.0
365.28436	4.4
410.45990	4.4
473.85672	4.7
746.20251	4.6
787.31879	100.0
787.45239	9.5
788.32947	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	787.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.6
55.53611	1.3
57.31408	1.5
59.01392	22.4
61.98856	3.9
71.01383	22.2
73.02963	9.0
83.01411	3.6
85.02959	18.4
87.00870	2.1
88.98796	3.3
89.02440	13.2
91.01859	2.7
93.03484	7.2
96.09836	1.5
96.96071	2.0
99.00887	4.1
99.92646	2.3
100.85917	1.8
101.02448	17.5
111.04525	3.7
113.02457	10.1
116.92864	34.7
119.01380	13.1
121.02966	9.1
125.02460	2.3
129.01973	8.0
133.02951	2.5
135.04552	9.6
137.02429	3.6
147.00912	3.4
147.04549	2.2
149.02464	44.3
153.05690	2.3
161.02470	2.1
161.04503	2.8
162.77798	1.6
163.04031	7.2
164.04822	34.2
165.05579	2.6
166.90996	1.8
168.42130	1.9
175.00383	45.0
175.04042	3.0
176.01181	4.2
179.07133	3.0
190.02748	100.0
191.03491	7.4
191.05624	12.6
192.04279	1.8
193.01361	2.5
205.05096	71.4
206.05821	4.2
208.03752	2.9
221.08301	3.6
223.06131	32.9
237.07790	2.5
250.04811	2.2
265.07202	19.8
292.08417	2.0
325.09326	7.5
341.10349	2.3
401.15985	3.9
727.36163	41.8
770.27765	2.2
787.27679	49.6
787.39880	4.4
788.29156	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	787.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03449	4.2
57.92243	0.5
59.01385	21.4
62.63349	0.6
69.03461	0.9
71.01381	24.7
72.99304	3.9
73.02950	2.5
74.14119	0.5
75.00872	17.5
83.01380	1.0
85.02952	24.7
85.35120	0.5
87.00869	11.7
87.01375	0.7
89.02437	11.3
91.03983	0.9
91.05521	18.7
91.06036	0.8
93.03479	1.1
95.01382	6.0
96.96037	0.8
99.00863	11.5
101.02424	1.1
103.00376	2.7
111.00895	0.6
113.02443	33.5
115.00373	3.0
117.01921	4.8
117.03443	4.9
121.02933	3.9
129.01935	2.4
131.03523	1.2
133.02933	0.8
135.04526	10.0
157.01468	1.0
161.02483	1.1
163.04250	0.5
175.02469	2.3
179.03529	1.1
191.05594	4.5
192.04483	0.6
193.05069	1.2
194.05905	0.8
205.07176	1.3
207.05002	1.3
213.11803	0.6
231.05026	1.3
249.03691	1.2
249.06177	29.4
250.28838	0.7
267.07230	72.8
354.05453	0.6
385.11447	100.0
386.11859	2.2
445.56192	0.6
547.69531	0.6
783.03180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.5
56.48329	0.3
57.03455	4.0
58.00599	0.3
59.01383	22.3
67.01894	0.4
69.03456	0.3
70.99582	0.3
71.01380	26.4
72.99296	4.7
73.02969	2.1
75.00868	14.0
83.01420	1.4
85.02953	32.4
86.40141	0.3
87.00874	12.0
89.02440	13.6
89.53432	0.3
91.04010	0.5
91.05530	11.3
93.03484	1.6
95.01387	6.5
99.00871	9.0
101.02483	1.8
103.00391	3.8
109.02905	0.4
111.13332	0.3
112.01681	1.2
113.02455	44.8
115.00393	1.9
117.01933	2.8
117.03465	6.4
121.02974	2.7
127.03983	0.4
129.01913	3.1
131.03500	2.1
135.04517	6.3
137.02402	0.4
146.71748	0.3
149.02452	30.8
149.04539	1.5
151.46344	0.3
152.01160	7.3
157.01448	1.1
163.04021	6.1
164.04799	32.6
165.01921	1.3
167.03474	0.5
169.05078	3.3
175.00395	2.6
175.02516	2.4
179.07146	10.2
190.02740	8.2
191.05667	1.7
193.01425	14.8
205.05136	10.0
205.07193	1.5
207.05132	1.9
208.03806	41.6
223.06157	74.2
224.06581	0.5
249.06204	10.2
267.07254	97.5
268.07495	1.4
385.11469	100.0
386.11713	1.7
401.14557	0.5
556.76428	0.3
698.13904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.4
59.01389	100.0
64.39809	0.9
67.01884	1.0
68.55931	0.8
71.01405	3.8
72.99326	4.5
74.82325	0.9
77.46580	1.0
81.77328	0.9
85.02970	3.9
87.00875	55.6
89.02454	1.4
93.03423	8.1
96.96017	1.0
101.02503	1.1
103.00371	55.6
111.04556	1.0
119.05004	6.4
121.02953	92.6
122.80292	0.9
130.99864	42.9
133.03017	1.4
135.04526	17.1
136.04854	1.1
137.02425	3.8
155.03419	1.1
163.04068	3.7
173.04538	17.6
174.04852	1.5
179.03528	12.1
191.05618	19.2
192.05949	0.9
253.03560	69.8
323.13547	4.2
353.08795	11.3
354.09079	1.4
355.09470	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	786.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.1
61.98834	100.0
85.88655	0.1
93.19027	0.1
209.11852	1.2
210.12152	0.9
211.12476	0.6
246.81914	0.2
277.21741	1.4
278.22058	1.7
279.22345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84233	0.1
54.86639	0.1
55.16290	0.1
61.98839	100.0
62.14222	0.1
64.60722	0.1
83.05055	0.2
87.96991	0.1
121.02913	0.1
146.43652	0.1
147.16028	0.1
149.14557	0.1
154.95428	0.1
157.01924	0.1
176.95619	0.1
209.11899	2.5
210.12234	2.1
211.12383	0.9
236.99797	0.1
277.21680	0.9
278.22229	1.1
279.22281	0.3
380.02548	0.1
653.83221	0.2
710.53998	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	785.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.3
57.03456	2.7
58.00597	1.0
59.01386	32.8
68.99805	0.2
69.03454	1.6
71.01381	33.3
72.99299	1.9
73.02945	13.0
75.00874	1.1
81.03445	0.9
83.01387	6.2
84.02170	0.2
85.02954	14.1
87.00874	3.3
89.02442	26.2
93.03451	0.9
95.01384	3.9
97.02941	2.6
99.00880	11.1
101.02441	30.7
102.81460	0.2
107.60442	0.2
109.02941	0.3
111.00890	1.2
111.04485	0.2
113.02453	12.2
115.04014	1.9
116.92872	0.3
119.03491	3.3
121.02957	0.8
122.03736	0.9
123.04542	0.4
125.02439	3.2
129.01927	0.5
131.03499	3.5
133.03000	0.3
139.04016	0.4
143.03529	1.9
149.04567	3.7
159.02965	2.1
160.01645	0.4
161.04582	6.2
191.05606	2.7
225.09364	0.5
233.06702	2.4
251.07687	0.3
293.08810	0.9
325.21744	1.4
337.18143	1.0
351.31812	0.3
353.21289	15.9
371.22092	0.3
387.24051	0.2
515.26550	10.2
533.27527	0.9
629.29797	2.1
647.30865	100.0
648.30896	2.0
665.31903	20.3
689.31494	0.5
707.33051	1.2
725.34528	1.2
785.38770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.8
57.03466	3.2
59.01386	24.2
60.51695	0.6
61.98832	0.9
65.14489	0.5
69.03476	1.0
71.01383	29.4
71.01775	1.3
72.99315	1.4
73.02940	13.0
75.00879	1.4
83.01389	6.9
85.02951	15.4
87.00890	3.6
89.02442	16.5
95.01391	2.6
97.02959	2.8
99.00877	9.3
100.60356	0.6
101.02438	29.0
101.03095	1.1
108.62057	0.6
111.00916	0.7
113.02460	12.7
115.04022	2.9
116.92876	5.0
119.03506	1.3
120.29992	0.5
121.03011	1.1
125.02448	4.7
129.01848	0.7
131.03552	2.3
135.04535	1.0
137.02492	0.9
143.03534	0.9
149.04558	1.2
159.03049	0.8
161.04594	6.3
179.03751	0.7
191.05579	2.3
222.91066	0.7
233.06653	1.4
321.76019	0.6
353.21317	14.1
515.26459	9.3
647.30847	100.0
648.31311	2.8
665.31702	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	785.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98769	0.4
60.43426	0.5
61.98833	0.8
108.90212	3.0
120.02173	0.6
121.02958	100.0
121.39966	0.5
140.17094	0.6
165.01923	2.3
181.06639	2.3
191.03606	0.8
202.27098	0.5
209.04588	36.4
209.06572	1.3
211.89111	0.6
225.05630	3.7
227.06731	0.5
238.96661	0.6
313.07153	6.5
357.06207	0.9
401.08890	7.2
457.33371	1.0
459.25055	0.6
596.53754	0.6
785.17438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.8
59.01385	3.0
61.40571	0.6
67.01910	2.9
69.03477	0.7
70.25880	0.6
71.01389	3.6
78.95909	2.5
81.03465	0.7
83.38804	0.6
85.02946	6.7
87.00863	2.0
89.02452	1.1
93.03457	27.6
93.83785	0.6
96.96014	1.3
96.96963	1.2
101.02424	0.6
102.73631	0.6
104.76565	0.6
108.02196	1.2
109.02969	2.5
111.00905	0.6
111.04534	7.5
119.05012	1.5
127.03973	1.5
133.02959	4.2
134.03679	3.0
135.04530	74.9
137.02419	5.6
152.01161	3.1
153.01959	1.3
155.03499	6.6
161.02408	4.1
163.04012	0.9
173.04556	100.0
174.04851	1.0
177.01938	0.7
179.03508	63.0
191.05632	66.8
204.92677	0.7
300.28363	0.7
342.59332	0.6
353.08844	66.5
354.09146	0.9
431.11902	4.5
491.05353	0.8
583.54260	0.7
695.75433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01388	18.7
61.98836	1.1
69.03451	0.6
71.01382	9.8
73.02962	4.4
83.01379	0.5
85.02964	3.5
87.00880	1.1
89.02448	12.1
89.03973	0.6
90.24383	0.5
92.10854	1.6
95.01434	0.7
97.02912	0.7
99.00890	6.7
101.02444	5.7
113.02474	3.8
115.03972	0.5
117.03481	4.4
119.03500	0.8
121.02926	0.6
125.02414	0.9
131.03522	2.2
132.02182	21.7
133.02948	2.4
134.03748	56.9
135.04553	1.0
137.02426	0.9
149.04617	0.7
149.06090	5.7
160.01674	100.0
161.02490	5.7
161.04599	2.1
170.81351	0.5
175.04015	84.4
176.04721	1.1
177.05501	0.6
178.02739	3.0
179.03416	1.0
191.05643	1.1
191.07210	2.5
191.59944	0.6
193.05080	40.2
194.05284	0.7
235.06151	2.9
372.72574	0.6
397.11737	0.6
427.90204	0.5
473.75974	0.6
587.30688	0.8
633.80084	0.6
659.34583	2.0
660.34998	1.9
785.32550	70.2
786.33197	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	784.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87789	0.3
55.01881	0.4
57.03456	2.0
57.50684	0.3
59.01383	11.5
67.01889	0.8
68.99812	0.4
71.01385	10.1
72.98952	0.3
72.99296	3.1
73.02943	1.6
73.54955	0.3
75.00871	11.3
83.01392	0.7
85.02952	15.6
85.03466	0.6
87.00879	6.5
89.02457	4.1
93.03442	3.3
95.01380	4.6
96.96041	0.5
99.00885	7.6
101.02434	0.4
101.06081	91.8
102.06435	1.2
103.00358	1.3
105.03477	0.4
109.02937	0.5
111.00861	0.4
113.02452	14.0
115.00368	1.6
117.01941	3.1
129.01941	0.7
133.02956	4.9
135.04529	1.2
136.85071	0.4
145.02924	0.4
158.67592	0.3
173.04555	2.9
175.02455	1.5
175.03946	0.4
177.01901	1.9
179.51230	0.3
191.05652	10.4
192.06007	0.8
205.07245	0.5
215.05603	0.7
231.05098	2.0
240.53116	0.4
249.06175	12.5
267.07202	1.6
289.50827	0.3
333.11978	1.3
351.13010	100.0
352.13428	2.0
760.22620	0.4
789.74585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39112	0.4
56.44332	0.4
59.01394	0.9
61.51971	0.5
61.98835	100.0
64.50344	0.4
64.76807	0.4
70.90746	0.5
70.99541	0.6
75.50912	0.4
197.74794	0.5
208.10545	0.6
209.11847	7.0
210.12129	2.8
225.11308	0.7
234.01730	0.7
277.21695	4.3
278.22034	2.6
436.18793	0.5
744.97345	0.5
761.17725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.3
61.98834	100.0
92.10767	0.5
100.16902	0.2
110.06973	0.2
168.50462	0.2
176.71646	0.2
207.10280	0.4
208.10680	0.8
225.11258	0.3
277.21683	0.9
278.22125	0.5
369.84961	0.2
444.04175	0.2
474.42276	0.3
724.43542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05729	0.2
61.49251	0.2
61.98833	100.0
97.74390	0.2
116.92857	1.7
208.10631	0.2
277.21854	0.3
278.22272	0.2
279.22614	0.3
441.33905	0.9
662.20435	0.2
707.71558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	5.5
57.03471	4.1
57.32386	0.9
59.01389	84.6
59.14379	1.0
59.52493	1.0
61.98841	2.5
65.03981	1.0
67.25871	1.0
71.01387	42.8
72.99327	1.2
73.02944	14.4
74.23618	1.1
75.00886	1.9
83.01395	11.2
85.02961	29.4
87.00874	2.9
89.02445	11.3
93.03449	1.8
95.01398	7.3
96.96023	2.5
97.02891	1.3
99.00885	8.0
101.02441	43.3
111.04517	4.5
113.02441	23.8
116.92846	8.6
119.03458	1.9
135.04506	2.3
143.03444	1.4
152.95818	1.1
159.03084	1.7
160.01625	1.5
161.04587	16.9
165.05647	1.3
175.04030	1.4
177.01984	1.9
183.31366	1.2
191.05655	5.3
195.41423	1.2
257.13049	1.2
263.40399	1.2
337.17993	1.5
353.21216	7.3
483.27618	28.6
501.28705	2.7
611.36322	2.1
627.31488	8.2
645.32977	100.0
663.34070	21.8
687.34271	1.4
705.35248	4.3
723.36353	15.2
783.38257	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	783.455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	13.6
61.98113	1.9
64.63932	2.0
82.97124	2.8
94.35181	2.4
120.46148	2.5
206.45937	2.8
209.11877	69.5
227.12973	5.2
250.94156	2.8
253.09346	5.5
277.21735	100.0
277.24731	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	783.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	4.0
59.01388	100.0
65.14797	2.0
68.10178	1.9
71.01376	40.3
71.36406	2.5
73.02953	14.9
81.03480	2.3
83.01385	9.1
83.05065	2.8
84.02190	3.4
85.02962	19.1
87.00906	4.6
89.02451	5.8
89.48198	1.9
93.01814	2.3
99.00892	10.4
101.02444	36.9
111.04530	2.9
113.02436	23.0
143.03534	2.7
159.03032	3.1
161.04547	40.8
189.80391	2.6
323.29224	2.5
353.20688	2.4
364.94067	2.5
375.57648	2.5
407.54150	2.3
465.26343	4.1
497.29147	29.9
641.33807	8.8
659.34570	95.4
660.35065	4.7
677.35236	18.0
723.36792	4.2
737.37579	19.1
783.38654	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	783.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01378	29.6
73.02937	12.1
80.49512	2.3
83.01382	2.7
85.02970	13.6
89.02455	4.8
93.47477	2.5
93.87637	2.2
95.01385	3.0
99.00883	4.8
101.02426	18.0
103.14458	2.2
111.04542	3.2
113.02465	15.5
135.08211	4.1
140.70683	2.1
149.04485	2.2
157.05647	2.5
159.02972	2.4
161.04582	25.0
167.57529	2.5
181.55931	2.3
207.82465	2.7
251.16544	3.0
353.21274	3.7
497.29163	29.0
500.08878	2.7
593.35571	14.8
659.34497	97.5
677.35632	13.3
737.37146	4.1
747.45215	3.9
783.43018	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	781.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
60.99318	5.1
69.03474	4.5
71.05008	0.7
80.02689	1.0
82.44820	0.4
101.02434	0.5
119.08672	3.1
125.09721	0.9
128.57547	0.5
137.09721	5.6
149.09729	2.1
155.10797	0.6
163.03967	0.6
171.10271	11.8
176.36145	0.5
183.10292	0.6
185.11870	3.2
197.06177	1.7
201.11285	0.6
213.11243	0.6
246.42233	0.5
267.06482	0.7
273.18570	0.9
291.19669	3.1
309.20770	37.7
375.26981	2.1
377.28653	2.5
391.30109	13.5
393.31790	1.0
395.29645	0.6
405.31631	0.8
407.33246	100.0
408.33472	1.9
409.34818	7.7
411.32883	2.2
423.32813	2.6
427.35886	13.2
437.30676	1.1
437.57196	0.4
441.33691	6.0
453.33893	10.7
471.34915	39.7
472.35519	0.6
485.32904	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	782.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22816	1.4
64.94617	1.5
82.06620	2.7
84.08214	1.5
87.05661	10.6
92.65855	1.3
102.20735	1.5
112.07756	1.6
117.76921	1.5
129.10356	37.1
130.08769	2.6
139.08775	9.7
140.07166	2.9
153.10309	1.7
155.08318	7.3
164.09605	3.5
165.10358	7.8
180.11385	2.3
182.12898	3.7
183.11383	2.9
197.16606	3.0
199.18188	2.0
200.14053	8.2
207.15077	30.5
224.17744	15.2
225.16127	6.4
241.13446	2.8
242.11922	3.1
242.18788	20.4
259.14481	11.0
295.21414	17.0
312.17233	5.9
313.22601	3.0
330.18378	3.6
337.26175	16.0
355.27036	6.9
371.24567	1.9
476.48776	1.8
513.58795	1.7
539.38989	3.4
573.37836	8.8
610.04224	2.0
615.41644	2.6
782.52002	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	783.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.1
59.01373	0.9
67.01910	0.2
69.03481	0.1
71.01373	0.8
73.68166	0.1
76.13008	0.1
81.03453	0.1
83.05019	0.1
85.02956	6.1
87.00881	1.9
93.03465	3.1
99.04516	0.2
105.53522	0.1
106.88072	0.1
109.02943	0.8
111.04529	1.0
113.02453	0.2
114.39077	0.1
127.04010	1.9
133.02951	1.1
135.04529	1.7
137.02489	0.1
148.10455	0.1
155.03511	0.2
161.02483	1.9
168.91750	0.1
171.03027	0.6
173.04550	2.1
179.03539	1.0
191.05653	100.0
192.06049	0.8
351.07251	0.2
353.08859	11.0
408.19876	0.1
510.41022	0.1
642.03979	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	781.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22882	0.5
59.01386	13.4
62.06682	0.6
70.35278	0.6
71.01383	4.1
73.02974	0.9
83.05046	0.6
85.02961	1.2
87.00906	0.8
89.02457	3.0
97.02935	4.7
99.00922	1.0
101.02428	5.3
109.06602	12.4
110.03747	1.0
113.02444	1.1
121.06609	0.9
135.08173	3.1
142.02754	1.0
145.05092	0.7
158.41132	0.6
161.04568	1.1
161.09676	0.8
163.11317	9.8
168.25781	0.6
181.12326	2.2
189.09216	2.2
207.10298	53.1
209.11862	0.7
225.11343	17.0
235.08246	3.8
240.88400	0.6
243.12440	0.6
253.09320	8.2
275.20178	0.6
277.21759	100.0
345.26740	0.6
443.19370	2.4
461.20377	3.6
465.42343	0.6
661.34387	0.6
703.40533	0.7
721.41827	32.9
733.51703	0.6
781.40613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10822	2.8
97.06588	3.3
102.45856	1.5
104.11121	1.6
171.10216	9.8
177.94331	1.5
220.26608	1.4
222.55986	1.4
275.20242	13.3
293.21274	15.2
308.86743	1.6
409.31085	9.2
411.32874	6.2
429.33997	2.0
443.35422	19.5
455.32074	2.4
469.33514	13.6
471.34525	4.9
486.32980	3.0
487.34467	100.0
488.34848	2.7
648.85919	1.8
682.18158	1.8
751.45020	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	781.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82815	0.7
55.01890	0.8
59.01392	16.6
64.09210	0.7
65.64291	0.7
71.01414	4.6
71.05042	0.9
75.94048	0.8
85.02972	0.9
89.02473	4.0
92.10806	0.9
97.02969	8.8
97.06622	1.0
99.00891	7.9
101.02454	2.7
109.06609	1.9
112.90777	0.8
113.02487	1.0
125.02477	0.9
125.09758	3.7
142.02754	3.7
152.59077	0.7
163.11301	8.9
181.12357	23.3
197.11554	0.8
199.13452	1.4
201.48404	0.7
206.36389	0.9
207.10298	70.0
225.00864	0.8
225.11363	100.0
243.12329	9.9
253.09372	3.3
277.21750	87.3
335.43561	0.8
372.73883	0.8
409.37915	0.8
443.19113	1.6
461.20358	36.4
461.26755	1.3
632.29279	0.8
698.73102	0.9
721.41895	39.2
721.54791	1.5
781.40588	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	781.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00341	0.7
56.52953	0.7
59.01382	12.8
59.86305	0.7
66.21634	0.7
71.01384	1.5
71.05013	1.0
73.02942	0.9
77.43084	0.9
79.64642	0.6
80.24838	0.7
83.01418	1.0
85.02921	0.8
92.10104	1.6
97.02940	4.7
98.14633	0.9
99.00886	4.8
101.02467	3.8
110.03808	0.8
125.09723	1.4
135.08192	0.8
163.11293	6.0
181.12361	10.5
207.10304	38.9
225.09163	1.9
225.11369	54.4
235.08237	1.6
243.12407	5.1
253.09352	3.5
277.21765	100.0
396.17438	0.9
443.19482	4.1
445.51880	0.9
461.20319	6.7
513.30267	1.0
675.50378	0.9
721.41730	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	780.382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.75235	7.3
70.04350	7.1
71.01389	52.9
73.02953	7.2
85.02975	18.5
89.02441	11.8
92.10881	20.0
101.02465	38.4
110.27432	8.4
113.02435	12.9
161.04579	35.1
178.63258	7.9
243.34119	8.9
275.34424	7.7
286.19562	9.0
497.29715	12.6
659.34735	92.7
677.35846	10.3
737.38208	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	781.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12726	0.2
63.90385	0.2
65.06903	0.1
69.28425	0.2
78.95906	44.3
79.95717	0.2
82.72578	0.2
94.73610	0.2
96.96038	18.7
96.96960	100.0
104.82925	0.2
128.59740	0.2
130.38179	0.2
192.18810	0.2
198.70425	0.2
244.08047	0.2
357.74451	0.2
439.08646	24.8
745.97827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03454	1.7
59.01387	100.0
61.98843	0.5
71.01381	7.0
73.02934	2.8
81.03474	0.6
83.01394	2.8
83.05035	2.4
85.02962	12.2
87.00858	0.4
89.02454	1.6
95.01383	0.7
95.05049	0.5
95.13283	0.4
97.02935	0.7
99.00883	0.7
101.02444	5.0
111.04532	3.4
113.02467	2.9
141.01709	24.1
151.45592	0.5
159.02979	0.4
161.04593	0.9
179.05563	0.6
193.12318	0.7
300.63992	0.5
371.22144	0.5
512.96423	0.5
533.31378	3.2
639.33667	1.6
660.34753	0.5
661.31360	1.6
677.24017	0.8
677.35529	20.9
695.36578	8.4
696.36566	0.4
737.37585	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	781.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97895	0.5
55.01904	0.6
59.01384	20.8
62.48231	0.5
66.80570	0.6
71.01376	4.2
71.05069	0.5
72.99358	0.6
80.02696	1.0
81.03476	2.4
83.05051	3.2
85.02969	2.8
87.00880	0.7
89.02438	5.1
92.10854	1.3
97.02938	6.1
99.00887	0.6
101.02465	5.6
109.06597	34.6
110.03764	0.7
110.06949	0.6
113.02454	2.5
119.03530	0.6
121.06578	0.9
125.09735	1.0
131.03459	0.6
135.08130	5.7
136.05318	0.6
138.69499	0.6
139.52066	0.5
142.02716	2.5
161.04608	1.0
161.09708	2.3
163.11295	22.4
181.12376	5.8
189.09178	1.0
207.10297	100.0
209.11847	1.2
225.11348	38.0
244.63071	0.6
253.09341	11.0
275.20322	0.6
277.21768	64.0
278.22058	1.2
299.15140	2.6
301.91412	0.7
441.33759	1.4
443.19470	4.9
460.28299	0.6
461.20316	10.8
464.11633	0.8
467.31436	0.8
485.32669	1.2
703.40375	1.2
721.41876	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	20.3
71.01382	2.4
91.77528	1.1
101.02458	1.9
113.02415	1.3
116.92826	1.4
136.26691	1.1
154.46951	1.4
167.10779	1.4
179.14484	1.8
195.13875	7.3
195.15454	1.3
196.31761	1.4
205.12370	6.8
223.13425	49.4
235.08330	2.8
253.09346	6.5
277.21762	100.0
330.12744	1.4
334.20602	1.2
459.22360	7.2
484.28146	1.5
513.30878	1.5
709.92004	1.4
719.42810	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	780.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
72.04546	9.8
76.86874	0.5
82.02984	38.4
83.01421	1.0
83.03355	0.6
85.02947	0.8
85.70903	0.6
98.02475	31.2
100.04040	17.0
107.05065	0.9
119.05022	36.0
136.07683	75.9
191.05629	17.1
192.05948	3.1
192.10289	3.5
202.08739	2.3
218.08281	6.3
220.09816	76.7
221.09981	1.0
223.32303	0.7
246.07925	0.8
264.08704	5.7
333.83926	0.7
353.08667	0.8
426.14136	100.0
545.04150	0.7
586.73254	0.8
806.49866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
59.30076	0.3
62.98522	0.2
67.01897	0.5
68.11349	0.2
71.01378	4.3
85.02953	6.9
85.03455	0.3
87.00893	1.7
89.02465	1.0
91.85262	0.2
93.03455	3.6
96.96021	0.4
101.02466	0.6
109.02962	0.5
111.00907	0.3
111.04543	1.1
113.02461	0.5
113.06082	0.5
115.00418	1.9
119.05020	1.0
121.02956	23.2
122.03249	0.3
127.04040	1.3
129.01952	1.6
137.02423	0.3
144.57677	0.3
145.02980	0.6
163.04008	1.4
171.02962	0.4
173.04535	1.9
179.44881	0.3
182.32027	0.3
191.05630	100.0
192.05989	0.4
219.71352	0.3
237.04118	2.7
248.33310	0.2
249.06209	0.3
251.05579	0.3
284.61792	0.3
307.14221	0.4
337.09372	18.7
353.08560	0.5
363.12943	1.4
413.10883	0.6
437.58209	0.3
674.63245	0.3
675.38599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70082	12.6
66.80637	13.7
70.62215	14.6
71.01427	15.5
96.95982	28.5
98.25302	14.8
117.20787	16.5
160.84256	31.7
201.11296	59.9
209.11865	72.8
211.32034	15.3
264.42035	14.7
277.21695	100.0
642.71002	18.2
777.43854	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	779.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96879	0.5
59.01385	0.9
69.10014	0.6
71.01366	1.1
78.38808	0.6
79.78631	0.6
85.02951	14.7
87.00877	1.5
93.03437	4.8
98.17165	0.5
99.04491	0.8
104.93726	0.8
111.04533	2.5
127.04013	2.5
173.04604	0.8
191.05640	100.0
210.54353	0.8
522.50189	0.8
731.99176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
75.60629	0.4
76.32398	0.4
78.85878	0.4
85.02961	7.2
87.00916	1.9
93.03471	2.9
96.95993	0.6
108.41345	0.4
111.04505	0.6
112.86974	0.4
127.03989	1.0
133.02986	1.0
135.04535	3.6
135.96558	0.4
138.08449	0.4
153.18961	0.4
156.59360	0.4
161.02452	2.7
171.02946	0.5
173.04614	0.8
179.03532	1.7
191.05643	100.0
242.86304	0.5
353.08835	12.4
502.35303	0.5
638.91980	0.5
662.38922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.2
71.01385	3.7
71.45167	0.2
73.02961	1.1
83.01414	0.2
85.02488	0.2
85.02962	1.2
89.02450	5.1
92.66089	0.2
92.89725	0.2
93.03465	0.8
95.01399	0.2
96.96029	0.2
97.02946	0.2
99.00880	0.9
101.02448	3.2
113.02471	2.0
115.51610	0.2
119.05029	100.0
120.05361	1.0
120.99659	0.3
131.03490	0.3
133.02985	0.3
135.04552	0.3
149.04544	0.3
161.04608	0.4
163.04021	72.7
164.04350	0.8
173.04538	1.0
179.03537	0.9
191.05624	1.9
199.14861	0.2
235.48067	0.2
319.14020	1.0
323.13467	2.1
324.13904	1.4
325.09326	11.4
325.13913	0.9
336.93130	0.2
353.08972	0.2
363.31616	0.2
423.39307	0.2
451.18234	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	777.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82570	0.3
55.43652	0.2
58.52402	0.3
59.01384	4.2
67.37578	0.3
71.01385	4.0
73.02949	1.1
83.01393	0.5
85.02969	1.6
89.02457	2.8
93.03463	0.7
96.96002	0.7
99.00886	1.3
101.02465	3.2
102.05836	0.3
113.02489	1.1
119.05027	100.0
120.05388	0.4
121.03098	0.4
125.02470	0.4
133.02937	1.7
135.04535	0.6
137.73305	0.3
150.03230	0.4
150.07486	0.3
161.04601	0.4
163.04024	78.1
164.04468	0.4
164.69922	0.3
165.05525	0.4
173.04637	1.3
177.02023	0.4
179.03482	0.4
191.05640	3.6
195.06572	0.4
221.84839	0.3
233.06526	0.3
254.77591	0.3
277.94412	0.4
281.91953	0.4
307.14050	0.7
319.14093	1.5
325.09341	12.5
351.07111	0.7
353.09085	0.4
379.11188	0.3
451.18314	9.2
472.13190	0.3
490.11795	0.4
509.32617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.3
59.03418	5.6
63.76270	5.6
70.42054	7.1
75.32943	6.1
83.73676	6.1
103.28217	6.2
107.74977	5.8
155.10773	9.7
171.10217	23.8
181.12341	11.8
199.09761	39.5
207.10332	51.4
220.16830	7.3
225.11272	53.7
242.62471	7.2
277.21698	100.0
299.14761	8.1
372.88022	8.1
414.65121	7.5
443.19028	8.6
443.43094	8.5
446.30325	7.0
461.20413	16.2
503.01462	8.1
567.14575	6.9
610.78534	7.3
695.40692	50.3
721.41595	54.6
775.40106	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	775.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	6.0
61.00524	5.3
73.17468	7.2
79.10683	6.7
160.91502	5.8
162.76219	7.5
171.10271	86.4
225.11400	36.3
242.60727	6.2
263.50085	6.4
277.21771	100.0
303.50003	6.3
350.61905	6.9
718.73676	7.5
721.41968	35.2
737.92175	6.3
762.77930	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	775.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	3.8
63.69753	2.8
69.03448	3.8
74.91487	3.1
79.26706	3.0
81.85715	3.3
92.10905	6.3
159.22003	3.6
163.11284	4.6
171.10284	27.8
181.08690	3.6
197.11848	6.3
207.10291	7.9
225.11371	53.1
235.08154	4.8
247.59604	4.2
250.60193	3.8
277.21790	100.0
278.22150	4.1
316.25473	3.5
372.59583	3.5
442.21960	4.0
461.20340	6.2
695.40387	21.0
721.41571	34.3
737.40942	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	775.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02141	0.1
59.01380	0.5
61.62223	0.1
66.75147	0.1
71.01383	0.1
78.95906	3.2
78.96335	0.2
79.95737	2.2
87.00832	0.1
95.97582	0.1
96.96011	100.0
96.96896	4.0
101.02423	0.1
135.04544	0.2
143.44514	0.1
151.03995	0.2
173.04568	0.1
179.03531	0.1
191.05589	0.5
329.27551	0.1
775.46204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03466	0.4
58.00604	1.9
59.01385	57.0
70.25119	0.3
71.01382	27.0
71.01778	0.9
71.42705	0.4
72.81444	0.3
72.99303	1.5
73.02941	0.6
83.01389	1.5
85.02960	6.3
87.00860	0.9
87.01766	0.3
89.02441	36.2
93.03444	0.8
95.01391	2.4
96.96009	0.6
99.08132	0.7
101.02442	22.7
113.02456	12.5
119.03502	15.5
119.04938	3.9
120.99670	0.6
131.07166	0.8
135.04541	2.7
143.03513	0.8
143.07106	0.6
149.04564	0.7
151.43036	0.4
161.04547	0.4
161.08244	0.5
163.04039	3.4
173.04550	3.4
179.03453	2.0
179.05603	0.9
191.05626	4.6
192.21819	0.4
283.31256	0.4
293.12399	2.4
323.13525	100.0
324.13843	0.7
353.08902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	62.9
69.12421	1.4
71.01390	36.6
73.02950	3.5
81.46176	1.4
83.01418	2.1
85.02968	10.2
87.00893	4.0
89.02455	31.8
93.03487	7.0
98.62711	1.6
101.02426	19.3
108.01174	1.9
113.02464	14.3
116.92847	2.3
119.03500	9.8
121.02948	4.0
122.03791	12.2
136.01659	3.4
136.86430	1.9
137.02464	15.8
139.04077	2.5
143.03444	1.8
149.02457	16.5
150.03242	98.4
151.00394	8.9
151.04004	3.7
164.04785	6.7
165.01912	8.7
165.05583	100.0
166.02724	25.7
175.03989	1.6
179.05656	3.8
179.07140	2.1
180.04276	14.2
181.05081	27.8
181.06673	2.5
181.06996	2.0
191.03477	2.2
191.05635	2.7
192.04364	2.0
195.06648	58.7
205.04982	2.5
207.06592	1.9
210.99097	1.7
246.43382	1.8
368.52286	2.0
372.12341	2.6
387.10382	2.9
387.14603	7.7
417.15610	24.5
565.21143	14.4
573.35687	2.0
613.23047	15.6
715.37274	2.3
775.38007	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	775.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
57.03461	0.8
59.01390	17.3
61.98833	0.8
64.34357	0.5
71.01393	14.1
72.32604	0.5
72.99357	1.0
73.02955	8.1
73.19785	0.5
81.29250	0.5
83.01431	1.1
85.02954	3.7
87.00912	3.1
89.02456	16.0
95.01429	0.6
97.02959	1.0
99.00895	11.1
101.02443	8.0
113.02463	3.4
117.03496	2.2
120.25998	0.6
123.04581	0.6
125.02457	2.8
131.03502	3.1
132.02185	8.1
133.02971	3.2
134.03752	34.6
135.04529	2.8
137.02461	1.2
143.10849	3.8
147.04524	2.4
148.05342	1.2
149.04617	2.5
149.06087	9.1
151.03955	0.8
158.03720	1.2
160.01674	63.3
161.02292	0.6
161.04570	1.0
173.06136	0.9
175.04019	100.0
176.04819	11.5
177.01935	2.3
177.05511	0.7
178.02699	4.2
191.05597	1.4
191.07169	17.3
192.04355	2.4
193.05077	50.8
202.02747	0.6
207.06686	5.4
217.05075	0.8
220.03888	2.7
221.06567	0.6
235.06166	41.3
265.07175	10.4
295.08258	17.2
315.40179	0.6
335.79410	0.6
337.09302	3.5
355.10431	32.4
379.10471	5.0
382.09421	0.7
397.11447	59.4
427.45865	0.6
439.12369	0.6
523.22076	10.5
536.38641	0.6
631.18555	2.1
726.35181	0.7
775.30371	2.3
797.18256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	18.5
60.99315	1.1
61.98837	18.0
66.74782	1.1
71.01386	14.7
73.02965	2.6
83.01395	1.5
85.02959	6.0
86.44093	1.2
87.00880	1.6
88.98826	5.6
89.02448	8.1
92.56227	1.4
93.03468	5.6
96.88239	1.4
96.95988	5.5
98.26112	1.3
101.02434	8.2
109.02953	3.0
111.00879	1.8
113.02457	3.2
114.38995	1.8
116.92831	5.7
119.05022	2.2
121.02966	7.3
122.03737	14.2
123.04510	2.2
133.02934	2.7
134.03725	2.2
135.04532	3.0
137.02460	21.7
139.03995	1.8
147.04535	17.3
149.02461	30.5
149.06183	1.4
150.03241	100.0
151.00400	10.6
151.03979	7.6
152.01187	1.6
152.04819	2.9
161.02461	11.0
163.04086	1.8
164.04767	6.7
165.01913	2.5
165.05588	86.7
166.02725	42.2
173.04585	1.5
175.03964	6.0
177.01962	1.9
177.05600	2.3
179.03540	7.4
180.04301	11.4
181.05077	34.3
184.03850	1.5
187.04025	6.2
191.03477	1.8
191.05605	5.7
195.06674	32.0
203.03526	1.9
204.18507	1.5
205.05054	9.4
207.06746	1.6
220.07414	5.2
247.50845	1.4
255.11349	6.0
315.25232	1.5
325.07394	1.5
359.11581	2.2
364.74951	1.4
387.10709	6.3
387.14835	5.4
402.12885	2.1
417.15677	38.9
435.94318	1.6
535.16168	2.8
565.20862	38.2
613.23102	36.1
775.39185	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	773.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01414	5.9
63.17387	3.8
63.75590	3.4
71.90869	4.0
74.04610	3.6
89.17293	3.7
92.10140	4.2
117.28764	3.8
122.25673	4.2
161.04593	5.2
196.34227	3.9
202.25485	4.1
541.35229	5.2
736.60248	5.6
773.35254	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	773.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	91.4
104.83730	10.5
125.35494	8.3
219.28395	10.3
587.53241	12.3
714.36377	12.2
773.35138	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	775.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83481	2.4
59.01398	26.8
61.98806	2.5
68.92623	2.5
71.01388	37.7
71.02119	2.6
73.02959	6.5
80.94032	3.6
85.02962	12.0
87.00896	5.4
88.98804	3.7
89.02458	13.7
93.03470	13.2
95.01394	5.9
101.02459	21.5
107.66597	3.4
109.02969	3.9
111.00867	5.3
113.02474	6.2
119.03519	4.4
119.05047	4.4
121.02967	19.3
122.03709	4.2
123.00877	15.9
124.01625	3.5
125.02441	5.4
135.04497	7.3
136.01657	32.6
137.02422	40.9
138.03270	7.3
139.00380	20.2
139.04031	3.6
145.02969	4.0
149.02440	4.4
150.03252	25.1
151.00389	15.5
151.04033	42.1
153.05569	6.3
155.10799	3.5
161.02475	4.3
162.03259	4.6
163.04022	6.3
165.01962	100.0
165.05603	16.1
166.02702	51.4
167.03543	4.0
175.03973	6.8
177.05533	7.1
179.03499	42.4
180.04301	80.7
181.01460	6.7
181.05125	46.1
181.06674	4.4
181.07164	3.4
182.02205	13.8
183.02977	12.1
191.03458	5.0
191.05730	7.0
192.04286	4.6
192.08018	3.6
193.05095	5.8
194.05954	4.6
195.06653	83.7
197.04538	19.5
203.03572	22.5
207.06551	5.1
210.05350	12.5
214.58243	3.1
218.05864	16.6
225.07741	37.7
236.06866	5.3
255.11528	7.1
324.35797	3.2
326.06540	3.5
341.08777	40.4
355.08200	4.5
357.09729	5.6
357.13705	4.5
358.10632	24.1
359.11481	3.4
370.10391	3.9
372.12119	4.3
373.13062	43.3
386.13623	4.1
387.14633	36.8
403.10413	5.1
418.12701	5.8
433.15088	77.7
501.85434	3.6
523.15369	4.1
565.20935	55.8
613.22913	26.3
617.92206	4.2
623.93164	3.4
715.36786	4.8
775.25055	42.3
775.37830	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	771.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17310	0.4
65.36433	0.4
80.60744	0.4
80.73664	0.3
99.92583	7.5
109.02923	0.6
116.92863	100.0
116.97269	2.9
117.92883	1.0
123.55780	0.4
142.86331	0.4
143.37440	0.5
153.02055	0.4
199.63968	0.5
240.39949	0.5
480.57358	0.5
598.15076	0.5
699.90210	0.5
796.73004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62752	0.5
74.26530	0.5
78.95907	5.2
79.95753	1.1
82.55272	0.5
83.21850	0.5
94.77020	0.5
94.98096	0.8
96.00928	0.6
96.92255	0.5
96.96011	100.0
96.96900	5.5
99.59635	0.5
100.48074	0.6
114.24463	0.5
153.33716	0.5
349.24786	0.6
616.52222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	5.9
59.01385	91.3
63.99699	0.8
70.03008	1.0
71.01402	1.1
72.99319	1.4
85.02971	2.2
87.00883	51.9
89.18578	0.8
93.03486	1.6
99.00989	1.1
103.00380	46.0
112.98824	1.5
113.98329	0.9
121.02959	100.0
130.99867	32.0
131.03508	1.8
135.04512	6.6
147.04601	6.8
163.04018	4.8
164.07187	17.0
165.07503	5.2
174.05119	1.1
175.04036	2.0
191.01685	1.2
191.05635	4.4
206.08264	16.2
207.08534	4.7
209.02823	21.8
229.17334	1.1
249.06200	1.9
253.03659	57.3
300.03091	1.0
371.10049	7.1
466.37326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75824	0.4
65.00342	0.6
76.82713	0.4
87.31940	0.4
91.18118	0.4
107.01389	2.1
109.02987	0.6
116.74670	0.5
121.02961	0.9
126.39262	0.4
135.00882	0.6
151.00380	8.5
163.00316	0.5
171.04582	1.0
171.90518	0.5
175.00438	0.7
178.99892	2.5
199.03979	2.8
203.03522	0.6
215.03523	1.8
226.02629	0.5
227.03510	3.7
243.03059	6.0
254.02039	0.8
255.03008	6.2
271.02533	66.7
299.02023	100.0
300.02792	27.2
301.03592	39.7
343.04614	1.1
462.08121	12.8
463.08936	3.0
490.20251	0.5
609.14758	18.2
610.15210	0.6
771.20105	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	771.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00622	0.8
59.01382	31.4
71.01379	19.6
72.99313	1.7
84.67136	0.7
85.02957	5.6
87.00894	3.3
89.02443	23.8
89.54317	0.8
93.03456	1.0
95.01369	1.0
95.88421	0.7
96.96035	1.5
101.02436	11.0
103.00426	1.3
113.02468	8.6
114.39111	0.9
119.03506	11.1
121.02959	11.8
132.02147	1.5
135.04507	1.1
143.03539	1.0
149.04590	1.1
151.00392	4.4
155.10808	0.7
160.01692	6.4
161.02444	1.6
161.04573	3.6
161.06000	0.9
165.05591	1.0
173.04526	0.8
178.99863	1.2
179.05611	17.4
179.07187	5.2
191.05605	9.6
214.24957	0.8
237.03975	0.8
240.07861	3.5
243.03000	3.8
243.06564	1.2
245.91344	0.7
252.07910	1.2
253.03433	0.9
255.03001	7.4
255.10397	2.6
267.10294	1.1
268.07489	10.9
271.02536	15.0
279.06665	2.9
280.07419	5.4
281.08395	1.2
283.09802	11.4
293.08243	4.0
294.08975	1.2
295.06021	1.2
296.06946	9.1
300.02798	21.1
301.03687	9.0
307.05960	1.9
308.06995	13.5
309.07733	9.5
310.08377	0.8
311.09338	8.4
321.07675	1.8
322.08588	8.9
323.09280	26.3
324.06418	11.0
324.10098	10.2
337.10956	4.3
338.11670	10.4
339.08771	82.8
339.12268	4.6
353.10446	1.8
353.43253	0.8
354.11133	33.5
369.13470	100.0
370.13782	1.2
771.19873	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	768.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33592	0.3
58.43317	0.3
58.92775	0.3
59.01384	3.5
61.98834	100.0
71.01369	0.4
71.65775	0.4
72.01636	0.4
85.02946	0.5
209.11781	2.1
210.12230	0.9
370.80215	0.4
452.07251	0.4
462.60556	0.5
539.58826	0.5
613.25061	0.5
729.27515	0.4
787.56506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	7.6
57.03456	5.0
58.00630	1.2
59.01384	100.0
71.01382	62.2
71.01777	2.3
72.99314	2.7
73.02939	14.9
75.00894	1.3
75.56084	1.1
81.03476	6.9
81.57049	1.1
83.01411	8.5
83.05035	3.1
85.02953	46.0
89.02444	25.8
93.03454	1.5
95.01395	5.1
96.96030	3.0
97.02958	1.8
99.00880	10.9
99.04518	6.7
101.02438	38.4
109.02985	10.6
113.02458	26.4
118.98090	1.6
119.03474	6.8
121.03001	1.7
124.53783	1.4
125.02435	2.1
127.04016	41.5
137.02449	2.6
143.03571	1.5
145.05042	2.2
159.02968	2.5
161.02434	2.6
161.04559	20.7
161.06038	4.8
173.04550	5.2
175.07704	2.1
179.05574	2.1
191.05646	6.1
333.18390	1.5
363.93967	1.5
369.20636	1.7
511.26917	3.1
529.28162	39.4
691.33441	89.9
692.34290	1.9
709.34100	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	769.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	7.3
57.03466	7.4
57.72594	0.9
59.01389	100.0
61.98847	2.1
69.03438	1.0
71.01384	58.8
72.99323	1.4
73.02950	20.0
75.00883	0.9
79.96150	0.9
81.03487	4.8
83.01398	9.8
83.05042	2.5
85.02953	43.2
87.00907	1.7
89.02445	23.7
93.03469	2.7
95.01401	6.2
96.96030	4.6
99.00863	10.1
99.04514	8.6
101.02448	38.9
101.03085	1.8
109.02933	9.7
113.02462	31.0
113.06136	1.0
116.92892	1.9
118.98119	2.2
119.03519	9.5
125.02478	1.5
127.04012	38.0
135.04550	1.6
137.02481	2.3
141.05594	1.2
143.03552	1.5
145.03000	2.0
145.05034	1.2
149.06136	1.2
159.02991	5.3
161.02544	3.2
161.04585	21.9
161.06046	1.9
165.05551	1.2
173.04523	4.4
175.07635	2.1
178.37799	1.3
179.05641	4.1
191.05699	4.8
249.79810	1.1
290.27170	1.1
351.47699	1.2
352.15695	1.1
511.27380	5.7
529.28186	37.2
602.66156	1.1
691.33478	90.4
692.33813	2.0
709.34247	2.4
769.36670	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	767.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99056	0.2
59.01376	1.3
60.99313	20.8
85.02935	0.5
87.00868	1.9
88.00415	2.4
88.98805	100.0
89.02448	2.7
93.03419	0.4
93.93952	0.3
96.96037	0.4
101.02428	0.6
105.90470	0.3
133.02911	0.4
135.04523	0.4
137.02417	0.3
161.02423	0.4
164.10762	0.3
191.05595	1.4
191.27721	0.3
259.27335	0.3
677.49750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70050	1.1
64.34272	1.3
64.80108	1.2
64.99554	1.3
66.27368	1.1
80.38838	1.6
82.18043	1.2
96.96037	6.3
107.57265	1.4
126.30801	1.4
133.13573	1.6
134.03741	2.1
164.47939	1.2
168.25818	1.3
171.10284	5.4
202.44373	1.7
277.21860	10.6
295.22818	35.1
311.16827	7.4
403.71518	1.5
471.34863	100.0
472.35184	1.7
488.48599	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	765.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38856	0.2
60.99315	0.7
63.06507	0.1
70.59872	0.1
71.05041	0.3
97.06594	2.6
121.10213	1.6
124.78274	0.2
137.09692	0.2
171.10275	3.2
189.09360	0.2
231.21184	0.2
260.10391	0.2
275.20233	6.0
293.21280	8.5
296.82172	0.2
323.02652	0.2
373.25311	0.2
375.26685	0.3
389.28619	0.8
391.30234	3.6
405.31781	2.9
407.33270	6.8
423.28979	0.4
425.34406	0.8
427.36081	1.0
437.30948	0.3
439.32214	0.3
441.33823	10.0
451.32278	6.1
453.33826	29.7
454.34167	0.7
471.34885	100.0
472.35233	2.1
540.86658	0.2
553.10535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42617	0.5
55.01886	1.2
57.03468	2.6
59.01392	31.7
59.01695	1.2
67.01910	0.6
68.99827	1.3
71.01392	26.5
72.99326	4.0
73.02972	3.3
75.00882	18.8
78.70849	0.6
83.01391	1.4
85.02962	28.6
85.03458	1.0
87.00886	12.1
89.02452	14.3
90.09346	0.7
91.04020	0.9
91.05537	28.8
92.10104	1.4
93.03461	1.5
95.01394	7.5
96.96014	1.1
98.00488	0.7
99.00885	10.7
101.02434	4.7
103.00377	3.3
113.02458	43.5
115.00439	2.2
117.01926	3.3
117.03482	4.7
119.03499	1.2
129.01944	1.5
131.03514	0.9
135.04530	10.1
149.04524	0.7
152.42288	0.6
157.12358	6.8
175.02396	2.7
188.79504	0.7
189.04041	0.9
191.05588	2.7
203.12915	15.9
207.05212	1.2
231.05031	1.2
249.04156	0.6
249.06181	29.4
267.07248	71.2
365.18192	28.4
385.11465	100.0
403.98502	0.9
432.77673	0.7
570.55139	0.9
637.61859	0.9
647.54169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06688	0.6
59.01388	1.1
60.99311	21.4
60.99614	0.8
66.94691	0.6
87.00897	9.9
88.00412	3.4
88.01226	0.8
88.98804	100.0
89.02445	31.3
89.03004	1.0
92.10045	0.7
96.06706	0.6
101.31998	0.7
125.40904	0.7
172.45761	0.7
180.12683	0.6
186.96387	0.7
264.22461	0.7
277.21863	3.4
375.19568	0.8
388.93744	0.9
397.13724	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	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99324	17.1
69.59925	0.8
87.00876	1.5
88.00453	1.2
88.98813	100.0
89.02454	7.7
90.12684	0.9
92.10095	2.1
94.32328	1.0
95.59554	1.0
129.23213	1.1
161.19514	1.0
163.68373	1.0
205.35767	1.0
254.30162	1.1
307.79233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73454	0.4
56.73182	0.4
59.01385	5.9
61.98822	1.4
65.95355	0.4
71.01390	3.2
72.99322	0.5
73.02959	0.7
83.01376	0.7
89.02448	0.8
90.38853	0.6
98.84759	0.4
101.02482	1.1
113.02473	0.5
125.09702	1.0
127.07658	2.3
127.11289	2.4
137.92038	0.5
138.45679	0.6
145.02948	0.6
150.57898	0.5
161.02495	0.6
165.46571	0.5
171.10283	100.0
172.10689	0.7
175.03989	0.5
191.05621	0.7
321.88077	0.5
351.89575	0.6
353.21161	0.7
515.26605	5.8
533.27423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01395	5.3
61.46745	0.9
61.98847	1.3
64.96815	0.7
71.01394	6.4
72.40618	0.9
73.02933	0.9
79.95731	14.3
80.96521	9.0
82.95431	1.4
83.01399	1.0
83.94421	0.8
84.95119	1.5
85.02964	3.6
87.00892	1.8
89.02450	1.4
93.03445	1.2
96.96010	100.0
99.00914	1.1
100.90897	0.7
101.02461	5.6
106.25406	0.9
109.02992	1.2
113.02474	1.9
135.08188	1.0
137.02455	3.3
137.96306	0.9
138.97060	7.4
166.96613	1.7
191.05576	1.2
241.00262	13.2
312.31131	0.9
351.49448	0.8
379.32935	0.9
585.59473	0.9
609.34851	1.5
656.66003	0.9
763.35870	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
61.89371	0.1
65.44119	0.1
69.29863	0.2
69.78930	0.2
70.11728	0.1
72.32209	0.1
81.60437	0.2
85.44153	0.1
92.10740	0.3
93.07072	0.2
97.06559	0.2
102.44889	0.2
119.46569	0.2
120.69868	0.1
121.10229	5.9
123.08159	0.2
125.09706	2.5
141.12846	0.2
179.28387	0.2
185.11847	5.6
197.11870	1.2
203.62311	0.2
208.45486	0.2
209.11879	0.6
211.13452	0.4
223.13362	0.2
247.20665	0.3
266.94373	0.2
273.18576	0.2
289.18268	0.2
291.19702	43.5
292.20007	0.3
393.31570	0.6
401.30615	0.2
405.32422	0.2
407.33411	0.3
411.32471	0.3
425.30432	0.2
427.36371	0.2
470.33789	0.7
471.34872	100.0
472.35117	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	765.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03459	2.6
58.00576	0.3
59.01386	21.4
64.66186	0.3
67.01903	0.8
68.99825	1.6
69.03461	1.6
71.01382	15.9
72.99313	4.6
73.02953	2.2
75.00874	16.0
79.41710	0.3
79.76231	0.4
81.03481	1.3
83.01392	0.8
85.02957	19.2
87.00884	7.7
88.93227	0.3
89.02454	4.3
90.03273	0.3
92.10541	2.4
93.03455	1.8
95.01395	5.7
97.02991	0.5
99.00880	9.1
101.02458	0.5
103.00360	4.2
104.10953	0.4
109.02935	0.4
111.00892	0.8
113.02457	19.2
115.00401	1.8
117.01945	4.0
121.02958	95.7
129.01965	0.8
130.99867	2.2
135.44438	0.3
150.44853	0.4
162.69563	0.4
162.86322	0.3
175.02496	0.8
189.04111	0.8
229.44447	0.4
231.05144	5.3
243.05959	0.4
245.06639	1.8
249.06203	47.8
353.08936	0.6
371.09903	100.0
372.09958	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	763.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40082	0.2
55.83757	0.2
59.01392	1.8
67.01930	0.3
69.03497	0.2
71.01402	1.3
72.82338	0.2
85.02970	6.5
87.00895	2.0
90.91420	0.3
93.03465	4.6
96.96066	0.2
97.43422	0.2
109.02968	1.2
111.04546	1.1
113.02466	0.3
127.04048	2.0
133.02977	3.7
135.04576	2.3
149.65273	0.2
153.09789	0.3
155.03564	0.3
161.02495	2.2
171.03014	0.3
173.04570	2.1
177.02017	0.5
179.03534	0.6
191.05656	100.0
192.06038	1.0
215.05728	0.5
351.07361	1.9
352.07578	0.3
353.08862	11.8
381.17728	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	761.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66402	0.9
55.01886	0.8
56.14375	0.9
59.01394	8.0
63.55833	0.8
68.26257	0.9
69.41171	1.0
70.35104	1.0
71.01392	8.1
73.02950	4.4
77.78867	1.1
83.01372	1.6
85.02947	2.3
89.02429	2.4
92.10876	1.9
99.00883	1.8
101.02446	9.3
102.99592	0.9
111.07597	1.0
113.02439	2.4
117.03470	2.2
125.02480	1.4
132.02190	19.6
133.02960	1.3
134.02704	2.2
134.03745	67.3
135.04568	1.2
137.02425	1.1
147.04588	1.0
149.06094	7.0
160.01671	100.0
161.02443	6.8
161.04593	1.2
165.18501	1.1
175.04021	98.5
178.02705	4.5
179.03522	1.1
193.05081	39.1
235.06297	1.4
291.18164	4.7
432.23471	1.0
436.23920	1.0
438.17352	1.1
466.93369	1.1
518.55817	1.1
575.17218	1.1
717.99799	1.1
744.60431	1.3
761.32501	67.9
762.32532	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	761.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69373	0.3
55.01893	0.8
57.03470	0.7
59.01387	9.5
61.98829	0.5
71.01385	9.9
72.51776	0.4
73.02948	4.0
83.01418	1.8
85.02969	4.8
87.00888	0.8
89.02457	4.6
95.01399	0.6
97.02968	0.5
99.00899	2.3
101.02449	9.6
113.02482	3.9
117.03449	4.0
119.03516	0.6
125.02448	2.5
132.02177	20.3
133.02962	2.5
134.03755	65.3
135.04475	1.9
137.02368	0.7
139.04018	0.5
147.04520	0.4
149.06082	6.8
159.03021	0.7
160.01677	100.0
161.02493	6.2
161.04573	2.8
175.04021	96.1
176.04761	1.6
178.02689	3.8
179.03439	0.6
181.37079	0.4
186.54198	0.4
191.07193	0.9
193.05092	40.6
235.06140	2.2
291.18112	4.2
372.36316	0.5
423.22650	0.7
613.42627	0.5
761.32489	56.8
762.32922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97798	9.7
60.05555	11.8
60.60021	10.6
72.67667	13.6
77.16940	11.7
78.26016	11.6
84.43544	14.2
91.77612	12.8
92.92813	16.4
115.11776	13.1
157.47897	17.8
168.57306	15.1
201.94925	13.5
209.11911	100.0
227.12764	15.2
279.23257	73.0
318.39130	12.9
468.10468	14.5
761.42706	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70061	12.8
61.98838	20.0
77.69762	15.8
82.48228	16.7
84.01054	14.1
92.92794	27.0
98.58623	14.0
138.08356	14.5
162.77544	15.3
204.85715	16.5
209.11865	32.6
210.62889	15.8
225.65930	14.3
259.87674	14.6
279.23337	100.0
282.58453	16.4
307.87027	16.0
332.51581	18.9
382.38742	15.3
655.83112	16.0
761.42456	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	760.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.1
61.98854	2.6
71.01397	11.7
82.95419	100.0
83.35725	1.9
84.00918	45.1
84.95146	11.4
88.50437	1.6
89.02450	9.4
101.02457	10.3
103.75163	1.7
113.02470	6.2
125.02437	2.9
143.03557	1.8
169.98650	1.8
195.54044	1.9
248.54807	1.8
277.21753	29.1
397.13599	28.7
415.14859	11.3
555.65735	2.0
624.05243	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	761.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.0
55.27369	1.1
55.40907	0.9
56.46721	0.9
57.03459	1.3
57.20185	1.0
58.53394	1.1
59.01389	24.4
59.01655	1.6
59.05924	0.9
59.74557	0.9
61.71311	1.2
61.98848	7.7
69.65800	1.1
71.01388	27.0
72.99325	1.3
73.02953	9.4
81.03463	1.1
83.01427	5.3
85.02532	1.1
85.02961	9.9
87.00882	2.6
88.98815	1.8
89.02470	15.1
93.03466	2.4
94.85746	1.5
99.00887	7.3
101.02437	19.0
103.27911	1.1
108.58743	1.0
113.02453	11.4
116.92881	2.3
119.03507	1.8
121.02915	1.8
123.00896	1.5
125.02460	1.9
131.03583	1.3
134.03749	1.7
135.04533	2.2
137.02431	2.7
145.03004	1.4
149.04483	1.1
150.03181	2.2
151.04019	1.7
160.01677	5.7
161.02368	1.4
161.04585	1.9
165.05646	1.7
173.04497	2.2
175.04016	7.1
176.01166	2.2
179.03493	2.1
180.04353	1.8
182.02234	4.6
189.05511	1.4
190.06369	2.4
191.03632	1.2
191.05609	8.0
191.07132	1.7
193.05113	2.0
194.05856	1.3
195.06728	1.6
197.04601	5.6
205.08774	1.6
287.24789	1.2
326.06360	1.5
341.08722	11.6
353.21332	5.3
374.13855	1.7
389.16238	2.2
515.26953	2.2
647.30872	38.3
665.32129	6.2
701.39990	5.8
757.82147	1.3
761.31616	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	759.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06397	63.3
73.40384	61.4
76.36248	62.3
108.38702	86.8
161.71840	73.0
196.14677	79.5
209.11732	70.0
209.23836	70.8
210.07791	84.4
211.76164	75.3
277.21600	100.0
282.75671	76.9
434.85178	73.3
764.95361	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03111	37.3
61.90099	42.4
62.70221	41.2
80.68647	44.2
92.10788	53.6
109.28815	44.7
128.57899	51.2
169.53372	42.4
209.11853	100.0
343.88321	49.5
399.20139	65.6
401.99960	61.3
461.54147	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03457	3.1
58.00597	0.4
59.01388	16.0
62.71725	0.3
67.01893	0.8
68.99825	1.4
69.03461	1.3
71.01384	15.5
71.01778	0.5
72.99313	4.1
73.02960	2.5
74.43497	0.3
75.00874	16.2
81.03442	0.4
83.01395	1.7
85.02958	20.5
87.00880	5.4
89.02448	4.5
93.03447	1.8
95.01397	5.4
95.34256	0.3
95.86150	0.3
96.96014	0.4
97.02930	0.5
99.00254	0.5
99.00883	10.3
101.02448	0.7
103.00384	1.4
109.02966	0.7
111.00882	1.2
111.04495	0.5
113.02457	19.3
115.00363	1.5
115.72462	0.3
117.01933	3.5
121.02960	92.8
122.03339	0.7
129.01947	1.4
133.03175	0.3
157.01469	0.4
175.02493	2.5
189.04033	0.6
191.05608	1.5
193.24847	0.4
231.05107	5.3
239.05911	0.6
243.30055	0.3
249.06197	45.6
353.08981	0.7
371.09906	100.0
372.10153	1.7
562.52631	0.4
716.34222	0.3
763.11871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	29.4
61.55677	1.8
61.98846	40.5
71.01389	21.9
73.02946	8.7
80.91742	2.1
82.95399	2.7
85.02975	4.2
89.02449	18.6
93.03487	2.7
96.96012	2.8
99.00872	3.8
101.02457	13.9
113.02466	4.1
116.92830	9.7
117.03459	4.1
119.05306	1.9
132.02176	23.1
134.03763	69.5
135.04543	10.1
137.02463	3.5
149.06096	8.5
160.00426	4.3
160.01674	97.2
161.02444	10.3
175.04022	100.0
178.02708	4.1
179.03410	3.2
191.05571	4.6
193.05095	38.7
274.42215	2.4
301.60461	2.3
426.66992	2.4
475.71228	2.2
612.57587	2.6
699.37360	2.8
759.30994	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57471	0.4
57.03463	0.5
57.51096	0.5
59.01387	11.9
59.01653	0.7
61.98844	2.1
65.01347	0.5
71.01385	10.6
72.99300	0.5
73.02958	2.7
83.01396	1.0
85.02964	3.6
87.00862	0.9
89.02450	9.3
89.03983	0.7
95.01331	0.5
95.16608	0.4
95.72961	0.4
97.02983	0.9
99.00867	4.8
101.02434	7.2
113.02466	4.8
117.03468	4.2
119.03509	1.9
125.02481	2.1
131.03545	0.8
132.02179	21.1
133.02983	2.5
134.03749	62.1
135.04475	2.1
137.02477	1.9
142.60320	0.5
149.06084	5.5
160.01668	100.0
161.02483	5.4
161.04553	0.9
175.04016	84.4
176.04723	2.0
178.02715	2.3
191.05609	0.9
191.07161	2.0
192.59343	0.5
193.05086	32.7
235.06123	1.8
403.92792	0.5
410.23206	0.6
699.39612	0.6
759.30927	58.2
760.30499	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	757.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27106	2.2
59.01393	6.2
62.77726	2.4
71.01384	86.4
73.02966	3.8
86.15990	2.7
89.02450	3.9
101.02415	2.8
104.63175	2.5
109.06623	5.7
127.88791	2.5
130.31422	3.0
150.48724	2.6
163.11304	4.2
171.10294	100.0
199.09880	22.2
201.11336	5.7
207.10298	27.5
211.82530	2.7
225.11337	15.1
253.09233	6.3
277.21744	70.8
306.44669	3.1
461.20392	4.7
654.55762	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	758.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
59.01382	3.4
60.01706	0.3
61.98834	100.0
65.63174	0.2
67.67274	0.2
71.01388	2.3
73.02956	0.3
83.01368	0.4
83.05054	0.2
85.02946	2.3
86.03281	0.2
89.02454	0.3
101.02435	1.0
113.02450	0.8
138.73637	0.2
280.21402	0.2
332.80087	0.2
477.60825	0.3
662.08600	0.2
665.40936	0.2
696.37012	0.4
697.37097	1.1
698.37457	4.4
758.41986	0.3
785.82965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
56.07640	1.0
59.01394	6.3
61.98846	5.7
66.50607	1.0
71.01384	15.9
73.02958	2.5
73.82347	1.0
77.96880	1.1
81.03495	2.8
83.01418	1.2
85.02970	4.9
89.02458	2.6
93.03471	1.5
95.01393	5.7
99.00863	1.2
101.02438	2.4
107.01363	1.4
109.02961	1.1
111.00922	1.1
113.02467	1.7
113.93226	1.1
116.92866	4.5
117.55474	1.1
121.02965	16.6
122.00056	1.5
123.00867	19.6
124.01664	4.6
125.02477	1.7
127.00398	1.2
128.06482	1.1
134.03807	1.4
136.98843	1.8
137.02449	27.1
138.03230	6.6
139.00371	2.5
139.04033	8.8
151.00352	16.3
151.03970	2.4
152.01128	1.6
152.04874	1.5
153.01906	2.0
153.05583	17.6
155.03532	4.6
160.01735	5.7
161.02461	1.3
163.04022	1.6
166.02721	48.5
166.99881	9.4
167.03397	2.0
168.04172	1.2
175.04034	11.4
176.04794	1.3
177.01930	4.9
177.05557	1.6
179.03452	1.7
181.01474	7.7
181.05055	37.0
182.02217	20.5
183.02977	12.6
187.03999	1.4
190.06335	1.4
191.03508	5.0
191.07230	1.3
193.04993	6.0
193.35588	1.1
196.03755	1.3
197.04582	42.7
205.05173	7.7
206.05850	6.8
207.06627	1.7
220.07423	1.8
221.08263	4.9
225.04042	1.5
235.06065	1.4
311.04269	1.5
326.06448	10.8
339.08823	2.5
341.08826	100.0
372.12067	6.7
373.12869	1.3
373.81735	1.3
387.10608	7.0
387.14877	11.8
397.11444	5.1
402.13162	2.5
403.13953	12.5
408.43127	1.4
417.15540	15.0
528.62531	1.2
652.62665	1.3
701.79999	1.3
759.24646	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	757.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37979	0.3
58.68953	0.2
59.01394	2.3
60.61246	0.3
71.01388	17.9
71.93745	0.3
77.96482	0.3
80.42590	0.2
85.02966	0.3
89.02452	1.8
89.77242	0.3
93.03445	1.0
96.96022	1.6
101.02445	0.6
109.95176	0.3
113.02445	0.6
115.00375	9.3
116.92876	0.4
121.02956	100.0
122.03366	0.3
127.04039	0.3
133.02908	0.4
135.04506	1.3
161.02390	1.1
165.05585	0.4
175.03964	0.3
179.03506	0.3
191.05629	1.8
192.39264	0.3
221.86346	0.3
237.04056	11.5
394.23273	0.3
440.38135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05423	22.9
56.05686	26.1
60.63615	30.5
63.83821	28.0
67.21979	26.1
73.78468	24.2
74.09702	29.1
78.05502	26.7
92.10127	100.0
104.86637	31.2
114.23315	25.8
140.98422	29.5
277.21790	37.4
306.34457	29.3
370.57147	32.0
595.06079	31.5
757.39563	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68071	5.5
58.51500	5.4
59.01388	7.0
60.99312	6.0
61.98567	6.0
61.98832	47.2
69.62208	7.0
87.93153	5.8
88.98814	41.4
125.02146	6.0
148.06699	6.6
150.61382	7.3
164.55286	7.1
199.13232	6.4
207.10280	31.0
229.83769	7.2
277.21786	100.0
278.21893	7.7
476.37579	8.0
658.41803	7.8
721.41675	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09104	12.7
61.78305	13.9
61.98834	23.8
91.41776	13.8
101.74959	14.6
109.65788	15.5
113.46933	14.1
150.14330	13.8
171.62718	16.5
199.13376	75.5
200.13748	22.8
207.10304	17.4
220.56235	15.3
277.21707	100.0
278.21921	16.8
346.31738	17.1
721.41125	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	757.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78190	2.1
59.01383	4.3
71.01382	100.0
73.14104	2.5
73.93941	2.1
101.02473	2.7
144.59865	2.2
164.01050	2.6
171.10297	73.2
172.34248	2.7
186.55011	2.2
199.09731	8.5
201.11343	8.8
207.10240	8.8
225.11275	3.7
253.09363	4.5
277.21756	85.4
356.12479	2.9
461.20297	3.2
526.75171	2.6
631.46759	3.3
689.53326	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	5.3
70.81287	3.7
70.83031	4.4
71.01386	69.5
71.01741	5.9
71.44881	4.6
92.65789	4.8
101.42969	5.2
102.20277	4.5
109.06585	7.9
110.38315	4.1
137.81888	4.3
149.46700	5.1
151.40396	4.9
163.11418	5.5
171.10287	100.0
199.09715	6.4
207.10266	19.8
207.16978	4.6
225.11351	7.1
277.21732	56.5
291.43860	4.2
397.71686	5.7
402.05463	4.7
526.19885	4.8
568.81976	5.1
636.35199	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	756.419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29293	0.7
59.14146	0.8
61.98841	100.0
65.03132	0.8
80.28312	0.8
126.70968	0.8
128.70580	1.0
164.21919	1.0
269.30365	1.0
299.26184	1.1
339.19720	1.2
368.63770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84403	0.3
52.86868	0.4
55.01883	1.5
57.03451	3.0
59.01385	15.6
67.01892	0.6
67.38549	0.3
68.99815	2.4
69.03452	0.8
71.01033	0.4
71.01379	14.1
72.99305	3.7
73.02950	1.6
75.00870	14.6
81.03450	0.6
83.01377	1.3
85.02953	19.3
87.00877	5.5
89.02452	3.6
91.03993	0.7
93.03458	2.1
95.01380	5.0
96.95993	0.7
99.00882	11.1
103.00367	1.9
109.02925	0.5
111.00918	1.5
113.02449	18.0
115.00365	1.7
115.03981	0.3
117.01945	2.8
121.02953	92.3
129.01932	1.8
144.01959	0.4
157.01515	0.6
175.02495	1.5
189.04076	1.4
191.05594	2.0
198.54968	0.3
200.90512	0.4
207.51523	0.4
231.05106	5.2
239.06107	0.4
249.06168	43.9
291.33414	0.3
353.08902	0.8
371.09872	100.0
372.10178	1.8
385.11581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
71.01387	17.7
85.02976	0.3
89.02448	0.2
95.01362	0.2
96.96019	0.5
101.02464	0.3
113.02497	0.2
113.06139	0.3
115.00385	9.3
121.02965	100.0
122.03297	0.4
155.27036	0.2
191.05644	0.7
199.31065	0.2
237.01671	0.4
237.04083	11.4
238.04282	0.3
267.07318	0.4
350.81625	0.3
363.13013	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	755.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01358	75.7
71.40824	79.1
78.80843	80.8
91.46063	79.2
95.96808	83.6
144.62675	85.3
183.91562	86.8
210.44879	81.2
460.73340	92.2
654.30896	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	755.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74038	7.2
56.33951	7.3
57.12998	7.4
59.01389	11.3
60.49981	7.7
76.03278	10.1
86.83788	8.0
136.77692	11.4
151.89992	9.2
169.12354	49.9
171.10248	14.7
241.09341	9.7
277.21750	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	755.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65096	2.1
59.01388	10.0
64.34624	2.0
68.38095	1.9
87.90274	2.1
92.10824	4.6
159.53300	2.3
181.12277	15.5
199.13434	100.0
253.09268	15.0
277.21741	55.8
459.34641	5.4
566.62244	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82640	1.5
57.27991	1.2
58.13614	1.1
59.01389	10.0
71.52911	1.4
72.12033	1.3
92.10767	8.2
101.02449	2.1
117.69505	1.5
120.63074	1.3
129.05878	1.8
197.11943	1.5
199.13435	68.1
209.40433	1.5
234.13640	1.5
244.94629	1.7
253.09332	5.8
257.52539	1.4
263.46863	1.6
270.85190	1.5
277.18756	3.3
277.21774	100.0
350.75076	1.5
613.39764	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	755.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	6.1
57.03468	5.9
58.00620	1.4
59.01388	100.0
61.98838	47.2
62.83367	1.0
69.03453	1.4
71.01391	40.9
72.99329	1.4
73.02943	11.6
81.03445	1.5
83.01408	7.3
83.05058	8.1
85.02957	32.4
86.34438	1.1
89.02442	15.1
91.08351	1.2
95.01408	4.7
96.96004	1.4
97.02953	21.6
98.46070	1.2
99.00897	4.6
99.92608	1.1
101.02443	20.9
109.02977	1.6
111.04550	6.5
113.02447	14.4
116.92864	37.6
119.03526	1.5
119.08697	1.8
131.03496	1.7
142.59317	1.2
143.03577	1.9
144.96170	1.3
159.03027	1.3
161.02481	1.9
161.04565	6.8
179.05643	5.3
471.30948	2.1
489.32297	2.1
533.31281	38.1
677.36755	1.5
695.36682	75.1
755.38885	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	755.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17961	0.4
55.01880	5.9
57.03452	8.7
57.03667	0.5
58.00603	0.7
59.01385	100.0
61.98841	3.4
67.01901	1.3
71.01382	46.0
72.99322	0.9
73.02943	12.2
73.03307	0.7
75.00879	0.7
81.03461	1.2
83.01385	8.0
83.05022	4.5
84.02189	2.5
85.02952	53.5
87.00902	2.3
89.02448	14.4
89.02990	0.6
93.03472	0.6
95.01381	4.1
95.08702	2.5
96.96036	2.2
97.02943	0.6
99.00883	5.7
101.02443	28.8
101.03087	1.1
111.00918	0.5
111.04549	2.4
113.02455	17.6
119.03529	5.9
119.08686	2.2
135.04520	0.6
144.80792	0.6
151.16776	0.6
159.02997	2.2
161.04565	6.4
179.05621	2.2
181.12299	0.7
193.12476	0.9
221.15373	0.9
273.18536	0.9
327.23380	0.9
335.58994	0.6
345.24146	1.0
371.22266	9.0
533.31781	45.7
654.17725	0.6
695.36646	98.1
696.37415	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	755.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	2.1
59.14827	1.2
60.77456	1.2
68.27740	1.2
68.99821	1.7
71.01391	2.3
73.02979	2.4
73.66322	1.5
85.02950	2.2
87.00883	34.0
98.98022	1.5
101.02454	1.7
108.30962	1.3
113.02473	1.5
123.00869	2.4
149.02448	1.4
151.00394	1.5
161.02455	5.8
163.04008	16.0
164.04803	7.9
165.05606	2.6
166.02765	5.6
167.03535	1.6
173.02492	2.0
175.03966	2.4
176.04839	10.0
178.06358	14.9
179.03500	6.9
179.07126	22.6
180.10854	1.4
181.05128	5.9
191.03545	12.2
191.07103	2.5
192.04178	1.9
193.05130	5.5
194.05861	3.2
200.08350	1.8
203.03471	1.6
205.05045	2.6
206.05849	7.5
209.08276	2.9
218.05934	2.0
219.02972	2.3
221.04523	2.1
221.08266	5.8
231.03105	1.5
234.05327	3.0
237.07652	2.0
247.02536	2.4
247.06082	2.7
249.07797	3.5
251.09250	2.2
262.04904	6.0
265.07196	45.5
277.07138	19.7
295.08237	23.0
320.07492	1.5
355.10303	4.6
383.09619	2.3
401.10938	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	755.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.03475	2.6
57.08946	0.6
59.01390	100.0
60.01750	0.7
60.82673	0.6
61.98838	20.5
71.01389	23.0
71.01781	1.0
72.41488	0.7
73.02957	7.0
75.00899	0.8
81.03496	1.4
83.01415	3.5
84.02217	0.7
85.02964	14.5
87.00902	1.4
88.98831	0.8
89.02468	3.9
92.27673	0.7
95.01433	3.1
97.02990	1.0
99.00909	2.9
99.04515	1.4
101.02457	13.0
109.02996	1.6
111.04554	1.5
113.02462	11.6
115.43021	0.8
116.92863	7.2
117.07203	0.7
117.08169	0.7
119.03542	0.8
122.24498	0.6
127.04028	9.0
132.02196	3.8
133.73126	0.7
134.03790	7.6
149.06107	1.2
151.00400	1.7
159.03014	1.6
160.01683	19.5
161.04587	11.7
161.06042	2.7
166.02736	7.8
175.04028	18.5
177.01976	0.7
181.05052	7.0
191.05571	1.5
193.05087	4.3
306.11905	0.7
337.09335	10.8
373.24002	1.6
387.10809	1.0
403.14044	1.5
417.15903	1.6
477.15103	0.7
497.98300	0.7
533.31354	22.5
534.31946	0.9
677.35010	3.6
692.88214	0.8
695.36981	22.4
696.38696	0.8
755.25696	3.0
755.39093	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00724	0.8
55.01890	3.8
56.54852	0.8
57.03463	4.7
59.01386	45.6
64.70432	0.9
71.01382	27.2
73.02948	11.1
81.03452	1.0
83.01409	6.2
83.05042	6.4
84.02239	1.0
85.02951	30.3
92.10843	3.5
93.03395	1.2
95.01347	3.1
95.08624	1.2
99.00913	4.9
101.02449	16.6
111.04543	6.4
113.02455	11.8
126.26050	1.1
161.04564	6.0
204.77565	1.1
208.16704	1.1
283.49860	1.1
533.31323	14.7
551.40118	1.3
695.36658	100.0
696.37079	1.8
744.94305	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	755.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
59.66372	0.4
63.02407	0.6
65.00330	0.7
79.17631	0.5
83.01389	0.5
85.02959	2.4
87.00877	0.6
89.02449	0.6
92.10117	0.5
93.03465	3.6
96.96006	0.8
99.00893	0.5
107.01413	1.0
109.02973	0.6
117.03445	0.7
119.05018	1.0
120.99609	0.7
129.14076	0.5
133.02998	4.3
133.03848	0.6
135.04517	0.6
151.00375	6.4
159.04552	1.0
161.02400	1.1
169.01506	0.6
169.06622	0.6
173.04713	0.8
173.06049	0.6
177.01962	0.6
182.65842	0.5
183.04475	3.2
185.06111	1.0
187.04030	1.0
191.05634	21.0
194.02559	0.5
211.03999	4.4
227.03517	27.7
229.05067	3.8
239.03430	0.7
255.03015	89.1
256.03674	3.2
257.04602	3.4
269.04663	0.8
283.02524	94.4
284.03290	88.4
285.04080	61.9
326.04190	0.8
327.05206	2.5
351.07303	1.0
353.08923	1.1
375.06787	0.9
446.08466	6.3
593.15247	100.0
594.15289	2.0
635.15900	0.7
733.51166	0.6
755.20251	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06908	0.2
56.82076	0.2
57.03427	0.2
59.01395	1.2
63.02394	0.5
63.49129	0.2
63.91693	0.2
65.00342	0.4
83.01414	1.0
86.10893	0.2
87.00873	0.3
93.03472	1.6
95.35136	0.2
101.06104	0.5
107.01412	1.2
117.03484	1.0
118.34437	0.2
120.03281	0.3
121.02957	0.5
125.02522	0.2
133.02974	0.3
135.00949	0.3
135.38885	0.2
137.02422	0.3
151.00377	3.6
153.01877	0.3
155.05081	0.5
159.04530	1.3
163.00357	1.2
165.01988	0.4
167.05035	0.3
169.06577	1.3
171.04594	0.3
173.02402	0.3
173.04628	0.4
173.06096	0.3
175.04062	0.3
178.99908	0.2
183.04530	3.0
185.02542	0.3
185.06111	1.6
187.04021	1.9
189.05615	0.5
191.05641	1.1
193.05112	0.5
195.04520	0.4
199.04059	0.5
211.04080	3.0
213.05597	2.0
215.03500	0.9
218.83202	0.3
227.03542	19.1
228.03929	0.3
229.05057	4.9
239.03571	1.1
240.04385	0.3
241.05095	1.5
243.02989	0.5
255.03029	55.6
255.22092	0.3
256.03735	2.2
257.04526	3.0
267.03012	0.5
269.04623	0.5
281.04666	0.4
283.02533	60.2
284.03305	39.0
285.04095	100.0
286.04541	1.0
297.04099	1.0
299.05972	0.3
326.04303	0.3
327.05237	1.8
351.12936	0.5
415.34213	0.2
432.78580	0.2
446.08673	4.1
447.09406	1.8
465.25327	0.2
593.15283	64.6
594.15436	1.4
707.77661	0.3
755.20422	5.0
764.47266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77831	0.3
54.14752	0.3
55.01881	2.0
57.03442	3.4
59.01386	100.0
61.41352	0.3
61.98845	0.5
67.70545	0.3
71.01382	12.1
73.02937	4.3
75.00878	0.5
81.03463	0.6
83.01401	2.1
83.05029	2.0
84.40845	0.3
85.02958	14.2
87.00877	0.5
89.02449	0.7
95.01385	0.8
97.02968	0.9
99.00869	0.8
101.02457	7.4
109.02929	0.5
111.04535	1.8
113.02447	5.4
118.14702	0.3
125.02429	0.5
135.04607	0.4
143.03461	0.4
144.24786	0.3
159.03003	1.4
161.04581	5.9
178.06346	0.6
263.57361	0.4
267.50598	0.4
335.16791	0.5
351.19501	0.5
495.27548	0.4
513.28741	4.6
531.29828	7.1
657.33350	0.7
675.33917	4.7
693.35028	25.3
694.35590	0.7
753.37079	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	753.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68401	0.8
59.01396	15.7
71.01403	6.4
71.20449	0.9
74.99097	3.8
84.32835	1.0
85.02964	0.9
89.02456	3.9
99.00873	1.3
100.47293	0.9
101.02464	4.6
120.99662	100.0
121.51162	1.1
125.02425	1.0
161.04616	1.4
236.61147	0.9
283.05005	1.1
291.05109	0.9
372.98129	1.1
409.31055	2.1
425.34302	13.6
469.33405	14.1
474.16153	1.1
591.33826	31.6
753.39941	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
57.03463	2.6
58.39252	0.4
59.01387	100.0
59.14807	0.5
60.68932	0.4
61.98840	0.8
62.90863	0.5
64.34366	0.5
64.49508	0.5
71.01383	21.6
72.34611	0.4
73.02950	7.4
81.03434	0.9
83.01400	3.2
85.02954	12.0
87.00896	2.5
88.98826	0.9
89.02457	6.6
93.03432	0.9
94.18810	0.5
95.01388	2.0
96.96011	4.7
97.02966	0.9
99.00880	2.4
99.04525	1.1
99.12774	0.5
101.02454	13.5
102.34177	0.5
102.80665	0.5
108.02198	0.6
109.02960	1.1
109.46336	0.5
111.04559	0.5
113.02467	10.1
116.92888	0.4
119.03542	1.1
119.04984	0.5
123.04555	0.7
127.04018	11.8
132.02193	0.8
134.03728	2.0
135.04558	1.1
137.02429	0.5
143.03505	0.8
145.05029	0.5
150.70695	0.5
155.10667	0.6
159.03033	0.9
160.01692	4.1
161.02449	0.5
161.04564	10.9
175.04045	3.6
185.01521	0.5
185.51462	0.5
185.54637	0.5
191.05609	2.9
193.05081	2.4
211.07677	0.6
225.09140	0.8
243.12332	1.2
432.41516	0.6
513.28638	14.5
531.29858	2.6
675.33942	24.7
693.35077	5.3
726.82336	0.7
753.25287	0.9
753.37402	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	753.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	2.6
57.03451	2.6
59.01387	100.0
61.98841	1.1
64.13684	0.5
65.24073	0.5
68.99561	0.8
69.03489	1.3
71.00430	0.4
71.01383	21.8
72.99317	0.9
73.02957	6.9
81.03472	0.8
83.01406	2.7
83.05050	0.9
85.02954	14.0
87.00894	0.7
89.02460	2.6
95.01393	0.7
97.02961	1.3
97.29904	0.6
99.00903	3.5
99.04514	1.2
101.02452	11.1
109.02991	3.0
113.02451	9.8
115.83114	0.7
127.04020	11.0
143.03513	0.6
148.66396	0.6
159.03027	1.4
161.04573	11.5
169.02594	0.6
172.90454	0.6
176.50764	0.6
191.05595	2.2
209.53206	0.6
309.99585	0.6
343.47632	0.7
371.22235	2.8
384.96326	0.6
426.54190	0.7
457.31775	0.7
531.29669	16.8
563.28790	1.1
675.34277	0.9
693.35095	15.7
720.33893	0.8
753.36877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01391	3.0
62.87337	0.5
63.46586	0.5
71.01402	0.8
78.61591	0.5
85.02948	42.0
88.04337	0.5
89.02459	0.7
92.10113	1.1
92.92288	0.5
99.00888	0.6
101.02441	33.2
115.05554	0.9
121.02049	1.1
121.02292	1.6
121.02952	90.8
129.01939	100.0
130.02347	0.6
131.05034	1.1
161.02596	0.6
161.06084	12.1
170.22739	0.6
188.98022	0.6
189.05557	0.8
191.05589	2.5
194.45918	0.6
197.79335	0.5
251.05624	34.9
310.05356	0.6
546.19910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	13.9
60.37323	0.8
60.99313	19.0
60.99573	1.0
61.98851	1.8
71.01385	7.8
73.02967	3.9
79.66539	0.8
82.95426	2.0
83.01400	1.0
85.02974	5.1
87.00902	1.1
88.98804	100.0
89.02451	7.8
92.10809	2.3
93.03457	1.4
95.01394	0.9
96.96008	15.7
99.00891	1.6
101.02456	5.5
113.02464	2.0
116.92881	1.7
119.03563	1.1
135.04555	1.5
137.02489	1.1
146.96222	0.9
153.70564	0.9
161.04524	1.0
173.04561	1.5
177.01964	1.2
191.05629	2.0
300.87787	1.1
313.91586	1.0
531.29675	1.4
619.51038	1.2
693.35199	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	753.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.7
57.03456	1.7
59.01389	100.0
59.20026	0.4
61.98841	2.7
67.71787	0.4
68.44362	0.4
68.99585	0.4
71.01384	17.6
72.99325	0.5
73.02961	5.0
83.01396	2.0
83.05048	0.5
85.02960	11.2
87.00850	0.6
88.98814	1.7
89.02448	2.8
93.03471	2.5
95.01420	1.0
97.02936	0.6
99.00880	3.0
99.04520	0.6
101.02451	9.6
109.02960	0.8
113.02469	6.4
114.38724	0.4
116.92876	0.8
116.95203	0.4
121.02968	3.1
123.04575	0.9
127.04020	9.0
135.04524	0.4
143.03491	0.6
149.06093	2.6
159.02989	1.0
161.04596	8.5
161.05951	0.8
183.60631	0.5
191.05731	0.6
335.37445	0.5
371.22086	0.5
513.28583	0.9
531.29773	16.0
675.34094	0.9
693.35168	12.8
753.37677	2.9
772.11334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	2.5
57.03466	2.1
59.01389	64.4
61.98856	2.5
69.03494	1.7
69.70941	1.2
71.01384	25.8
72.99308	1.8
73.02956	9.2
73.90226	1.4
78.95923	3.2
79.95753	1.8
83.01426	2.6
85.02959	12.0
87.00894	1.5
88.98812	1.2
89.02453	17.9
89.04027	1.4
95.01411	1.8
96.96018	100.0
97.02962	2.0
99.00916	9.8
101.02446	14.0
108.02187	1.6
111.08195	1.4
113.02469	10.8
117.03481	5.4
119.03526	2.7
121.02988	1.3
125.02497	1.8
127.04008	3.0
131.03461	1.4
132.02202	20.3
133.02975	2.8
134.03751	76.5
135.04507	3.2
137.02432	2.1
141.23410	1.3
148.19917	1.5
149.04623	2.8
149.06097	10.9
160.01677	95.8
161.02432	8.5
161.04558	7.4
165.05472	1.3
166.02953	1.5
175.04021	89.8
176.04640	2.4
177.05643	1.6
178.02730	3.2
179.05629	1.6
191.05595	8.5
193.05064	41.7
221.06670	1.6
235.06248	2.2
304.36118	1.7
363.51901	1.6
513.28680	7.9
531.30579	2.3
675.34100	11.6
693.35510	14.6
753.26099	48.5
753.36700	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	753.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
57.03460	2.4
59.01393	15.2
64.81650	0.3
66.78162	0.3
67.01918	1.3
68.99832	2.3
69.03465	1.4
71.01399	14.0
71.39799	0.3
72.99327	4.1
72.99703	0.4
73.02950	1.9
75.00883	13.9
81.03480	1.4
83.01398	0.4
85.02964	18.4
86.23863	0.3
87.00882	5.1
89.02453	4.8
90.48883	0.3
91.03992	0.4
92.10480	2.1
93.03466	2.6
95.01389	4.6
96.96033	1.4
97.02939	0.5
99.00891	9.1
101.02414	0.4
103.00370	2.0
109.03024	0.4
110.89909	0.3
111.00909	1.3
111.04519	0.7
113.02463	17.6
113.71243	0.4
115.00399	2.1
117.01958	2.8
120.18013	0.4
121.02963	90.1
122.56505	0.4
129.01939	2.1
133.05049	0.4
145.93159	0.4
157.01511	0.6
163.04066	0.3
173.04605	1.7
175.02518	1.5
189.04013	0.8
191.05647	2.7
231.05162	4.8
249.06198	45.9
353.08740	0.5
371.09894	100.0
372.10300	1.3
382.32852	0.4
542.46924	0.4
567.92828	0.4
724.26215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63620	0.3
55.01892	0.4
55.23429	0.3
57.03472	0.6
59.01389	16.6
67.19351	0.4
69.03476	0.5
71.01391	13.5
72.99333	0.7
73.02947	5.2
79.18204	0.3
83.01395	1.3
85.02966	4.1
87.00917	1.8
89.02456	13.5
89.03992	1.6
92.10850	0.7
96.96030	4.2
97.02940	1.4
99.00883	9.2
101.02464	7.1
101.39884	0.3
104.83452	0.4
113.02471	4.4
117.03483	5.3
119.03513	1.4
125.02470	2.0
131.03519	2.2
132.02184	23.7
133.02940	3.0
134.03755	61.6
135.04544	1.6
137.02452	0.8
139.04041	0.5
147.04585	0.7
149.04523	0.6
149.06113	7.1
160.01680	100.0
161.02489	4.2
161.04594	1.6
162.03337	0.5
175.04030	91.4
176.04811	2.5
177.05624	0.5
178.02707	4.2
179.03514	0.4
179.05551	0.5
191.05614	2.3
191.07211	2.9
193.05092	39.0
210.42189	0.4
221.06561	0.4
235.06177	4.8
265.07291	0.5
295.08481	0.5
337.09341	0.7
355.10727	0.4
366.02057	0.4
397.11511	2.5
413.25323	0.4
491.81540	0.5
657.32794	3.8
693.32025	1.9
753.26233	47.9
754.26556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.2
64.40973	0.4
71.01388	1.3
72.99330	3.2
73.52675	0.5
75.00871	100.0
76.35443	0.5
83.10607	0.5
88.34846	0.5
89.02487	0.8
92.10863	0.9
101.40108	0.5
102.91788	0.6
110.84319	0.6
120.98843	0.5
124.32590	0.6
152.10597	0.5
180.45972	0.5
277.21771	4.2
350.32111	0.5
392.57147	0.5
397.13718	5.7
415.14743	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	751.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17222	0.8
59.01385	100.0
61.98831	1.2
65.56829	0.9
71.01388	7.7
72.99314	1.1
73.02956	3.9
76.58881	0.8
85.02979	2.1
89.02460	4.4
94.85701	0.8
96.99303	1.1
99.00897	1.4
101.02415	7.4
110.80602	0.9
112.11639	0.7
112.75867	0.7
113.01015	0.8
113.02469	1.8
114.45840	1.0
117.00396	1.7
118.14069	0.8
141.01707	36.5
141.02818	1.2
161.04561	1.5
183.01497	1.5
209.11823	0.9
231.48262	0.9
269.53381	0.8
487.34283	1.1
559.27954	4.8
609.32831	19.8
631.30688	1.6
691.32013	9.3
701.63611	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	751.356
Annotation	Boivinide F
Peak:m/z	Relative Intensity
52.61613	0.3
55.01882	2.0
57.03450	1.8
59.01384	100.0
59.73915	0.4
59.85826	0.3
61.98839	1.7
65.36034	0.3
71.01379	19.8
73.02943	5.0
75.00864	0.6
75.34073	0.3
77.07867	0.3
81.03464	1.4
83.01407	2.5
83.05025	1.5
85.02952	12.1
87.00887	0.7
89.02438	7.2
92.66521	0.5
95.01384	2.4
99.00901	2.2
99.04513	2.4
101.02448	10.9
109.02976	3.5
113.02444	7.7
119.03493	1.9
127.04010	12.2
141.05539	0.5
143.03473	0.7
145.05042	1.6
159.02936	0.6
161.04576	7.3
161.05905	0.8
175.07600	0.6
179.05580	2.2
190.66664	0.4
191.05620	0.4
198.31410	0.4
209.11862	0.7
297.62192	0.4
311.60532	0.4
351.19742	0.7
369.20853	1.4
472.86514	0.5
511.27023	2.3
529.28131	18.2
530.28888	0.4
593.02600	0.4
691.33490	18.2
751.35284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03229	0.4
57.03455	4.1
58.00602	0.6
59.01389	35.2
59.01688	1.2
64.34424	0.5
67.01873	0.9
68.99839	2.0
69.03471	1.2
71.01383	30.6
72.99300	4.9
73.02969	2.4
74.88255	0.5
75.00871	17.1
81.03458	0.8
83.01419	0.9
85.02954	32.6
87.00867	10.3
89.02438	16.2
89.02934	0.8
91.03998	0.9
91.04951	0.9
91.05533	27.8
92.10114	0.6
93.03458	0.8
95.01396	6.2
99.00890	10.4
101.02446	5.9
103.00394	2.8
104.94190	0.5
109.72720	0.5
110.72939	0.5
111.00883	1.1
111.04570	0.5
112.01719	0.6
113.02462	44.0
115.00399	1.0
117.01949	4.7
117.03432	5.3
119.03539	2.3
127.11295	0.8
129.02011	2.0
131.03566	1.1
135.04543	12.2
149.04553	0.7
154.31931	0.5
157.12349	8.6
175.02505	3.0
185.11821	1.2
189.04037	0.8
191.05641	2.7
199.13440	0.8
203.12932	23.7
205.07222	1.2
207.05064	2.1
231.05154	2.5
249.06190	32.1
267.07254	70.8
356.32230	0.6
365.18222	55.3
366.18484	0.6
385.11478	100.0
386.11856	0.8
460.00299	0.5
704.76221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
80.48522	0.2
86.35797	0.2
99.92587	7.1
102.23666	0.3
114.93420	0.5
116.92862	100.0
117.92903	1.0
135.04517	0.5
177.19174	0.2
179.03471	0.3
214.91689	0.2
215.75313	0.2
215.77556	0.2
215.91138	0.2
329.00397	0.2
396.14136	0.3
633.38440	0.4
645.95856	0.2
678.58167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98845	0.5
69.42274	0.3
71.01377	2.8
73.02946	0.7
83.74130	0.3
85.02968	0.4
89.02449	4.1
96.99326	1.2
99.00214	0.3
99.00885	1.8
101.02442	2.0
113.01025	0.4
113.02490	0.4
117.00452	1.3
125.00917	0.4
131.03455	0.6
141.01711	36.0
146.88869	0.3
149.04575	0.6
155.02049	0.8
213.03893	0.5
220.97783	0.3
238.00534	0.3
559.27930	3.4
609.33044	8.8
631.30762	0.5
691.32227	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	751.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82360	0.1
57.03461	0.1
59.01382	0.9
62.21867	0.1
67.01907	0.2
67.20009	0.1
69.03446	0.1
71.01397	0.6
73.02948	0.1
81.03480	0.2
83.05063	0.1
85.02954	6.1
86.03347	0.1
87.00877	1.9
93.03456	3.1
99.00884	0.1
99.04529	0.2
109.02972	0.6
110.32861	0.1
111.04543	1.1
116.74805	0.1
127.04021	1.8
133.02965	1.9
134.03421	0.1
135.04477	1.0
137.02454	0.6
138.30655	0.1
155.03503	0.2
161.02458	2.0
171.03011	0.5
173.04565	1.7
177.01942	0.2
179.03503	0.9
191.05644	100.0
192.06021	0.9
215.05539	0.2
251.95026	0.1
351.07321	0.6
352.07648	0.2
353.08850	12.2
354.09485	0.1
381.13889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
67.07902	0.5
68.16174	0.5
71.01394	3.6
74.09742	0.5
81.31503	0.5
85.02969	0.9
89.02489	0.6
90.38643	0.5
93.03455	57.6
101.02454	0.7
112.07154	0.5
128.25064	0.5
132.57298	0.5
137.02444	100.0
149.71504	0.6
168.37183	0.5
177.01862	0.6
184.57999	0.6
191.05612	2.4
208.66219	0.7
231.26158	0.5
299.07782	20.3
611.34210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45505	0.2
53.69037	0.2
55.71700	0.2
59.01398	2.2
60.48018	0.2
64.34980	0.3
66.01919	0.2
71.01406	1.4
79.95765	0.3
85.02966	1.8
87.99913	0.2
89.02466	2.2
93.03496	1.6
95.01434	0.3
96.96037	0.5
99.00897	0.4
101.06117	0.4
111.00919	0.3
115.02226	0.2
121.02975	1.6
121.95000	0.3
125.02515	0.4
127.04014	0.4
131.03461	0.3
133.02966	1.4
134.03754	59.4
135.04433	0.5
137.02463	8.7
139.04034	3.2
143.03455	0.3
149.06105	20.4
150.03253	1.4
151.03885	0.3
161.02441	0.3
173.04454	0.4
178.02739	41.7
179.03235	0.3
188.39241	0.3
191.04221	0.3
191.05644	13.9
192.05957	4.2
193.05078	100.0
194.05309	0.3
203.03421	0.3
207.29561	0.3
271.09750	0.3
281.04788	0.3
293.08810	1.6
331.39856	0.3
353.08759	0.4
354.09280	0.5
355.10413	15.6
384.78754	0.3
385.64059	0.3
394.81647	0.3
404.12268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73209	0.2
59.01395	1.4
61.98829	0.2
71.01400	1.4
78.18941	0.2
85.02971	2.4
89.02465	1.5
93.03449	1.2
96.96022	0.2
97.02982	0.2
99.00900	0.4
101.02473	0.5
101.06058	0.3
102.00701	0.2
106.04270	0.3
109.02990	0.3
111.00851	0.3
116.95433	0.2
121.02985	1.8
125.02457	0.4
126.15210	0.2
127.04025	0.3
128.63458	0.2
133.02930	1.1
134.03745	63.3
135.04512	0.3
137.02452	10.2
137.99071	0.2
139.04024	3.5
149.04855	0.7
149.06090	22.0
150.03224	1.1
151.03911	0.2
153.86469	0.2
161.02484	0.3
178.02727	43.5
191.05632	14.3
192.05946	4.5
193.05061	100.0
194.05412	0.4
197.83507	0.2
287.69696	0.3
293.08835	1.7
353.08878	0.9
354.09055	0.4
355.10400	17.0
754.34888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
55.35982	0.4
56.43494	0.5
58.00605	1.0
59.01387	45.9
63.87633	0.4
69.56120	0.5
70.87960	0.6
71.01383	20.1
72.99338	1.1
73.02954	1.2
81.38837	0.6
83.01386	1.1
85.02953	6.8
87.00893	0.9
89.02446	22.9
92.10182	0.7
93.03464	1.0
95.01413	0.9
96.96018	0.9
101.02438	17.6
113.02467	7.1
119.03510	8.0
127.11295	0.9
131.07085	0.6
135.04532	3.4
149.53442	0.5
155.10782	0.8
157.12334	0.9
161.02362	0.7
163.04041	0.6
173.04526	3.5
179.03487	2.2
191.05614	11.5
201.11346	5.7
219.12430	1.3
284.94397	0.6
293.12509	1.9
300.10275	0.6
304.24182	0.6
318.70981	0.6
353.08801	2.4
381.17743	100.0
433.08621	0.6
443.19287	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	749.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.1
55.78371	0.1
57.03456	0.1
59.01389	1.3
60.56368	0.1
67.01930	0.1
69.03458	0.1
71.01407	0.8
73.02956	0.2
83.05029	0.1
85.02971	6.0
87.00892	1.7
89.02454	0.1
89.60486	0.1
92.10759	0.1
92.89714	0.1
93.03468	3.2
95.01427	0.1
96.96042	0.3
99.04546	0.1
101.06102	0.1
104.91738	0.1
105.03491	0.2
109.02968	0.7
111.04558	1.2
113.02436	0.2
127.04031	1.8
133.02980	2.5
134.03308	0.2
135.03609	0.1
135.04480	0.7
153.01888	0.1
155.03499	0.2
161.01089	0.1
161.02454	2.8
171.03027	0.6
173.04546	1.3
177.01947	0.4
179.03493	0.6
191.05652	100.0
192.05995	0.5
273.90457	0.1
289.85083	0.1
351.07355	0.4
351.13000	0.2
352.07803	0.1
353.08847	13.2
354.09067	0.1
540.36780	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.7
55.71904	0.6
57.03454	8.4
59.01382	40.7
63.57684	0.8
67.01901	0.9
68.99825	1.9
69.03463	1.8
69.66694	0.6
71.01379	46.9
72.99304	8.9
73.02948	3.2
75.00868	35.3
79.81716	0.7
81.03452	1.0
83.01400	2.9
85.02950	53.8
87.00867	18.0
89.02438	14.8
91.04048	1.6
91.05528	27.1
92.10075	1.6
93.03428	1.6
95.01373	11.0
95.05044	1.2
97.02994	0.9
99.00874	20.4
101.02460	1.7
103.00388	4.2
111.04549	0.8
112.01623	1.4
113.02454	61.3
113.06085	25.6
115.00389	5.1
117.01936	8.5
117.03465	6.5
121.02951	3.3
129.01959	5.0
130.99936	0.7
131.03482	0.8
135.04533	11.0
149.04565	1.4
175.02493	4.4
189.04216	1.0
191.05568	5.7
205.07204	1.5
207.05089	4.4
223.08195	1.1
231.05136	4.2
249.06161	48.9
267.07230	100.0
363.13049	75.9
383.07779	0.8
385.11469	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74118	8.5
59.01394	10.5
64.86458	8.1
66.04202	8.7
70.54053	9.1
84.44377	9.5
122.55549	9.7
371.19400	10.1
414.89877	12.3
712.54022	100.0
748.51996	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	747.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.0
55.91704	0.5
57.03461	0.7
59.01387	11.5
61.98846	3.0
63.53059	0.5
71.01385	11.8
72.99338	0.7
73.02950	5.7
81.55723	0.6
83.01411	2.6
85.02969	5.0
87.00875	0.8
89.02437	5.4
89.03989	1.0
95.01394	0.7
97.02982	1.5
99.00904	3.6
99.30302	0.5
101.02445	9.2
113.02483	5.5
116.92870	2.8
117.03462	4.9
117.92908	0.9
125.02430	1.2
132.02174	23.3
133.02983	6.5
134.03751	58.0
135.04550	4.2
136.01706	0.8
139.00671	0.6
139.04025	0.8
143.03493	0.7
149.06087	5.6
160.01677	100.0
161.02475	14.0
161.04562	1.1
175.04022	90.4
176.04765	0.8
177.01982	5.7
178.02740	3.5
179.03528	1.2
191.05595	0.7
191.07191	0.9
193.05083	37.8
235.06105	2.4
277.16666	5.5
284.17953	0.7
747.31036	63.0
748.31335	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	747.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03449	2.0
59.01385	13.0
61.27608	0.3
67.01859	0.5
68.99841	0.6
69.03461	0.5
71.01381	11.9
71.64539	0.3
72.99303	3.2
73.02946	1.5
74.85259	0.3
75.00872	12.3
76.79027	0.3
81.03469	0.3
81.89349	0.3
83.01405	0.6
83.05039	0.4
85.02951	16.9
85.58099	0.3
86.05142	0.3
87.00863	5.4
89.02442	5.0
93.03467	1.6
95.01385	4.6
96.96045	0.3
99.00874	7.7
101.02450	0.6
101.06079	100.0
103.00372	1.3
103.71867	0.3
111.00906	0.5
113.02446	16.7
115.00367	1.5
117.01937	3.6
129.01930	1.4
132.52525	0.3
133.02962	5.1
135.04509	0.5
142.99608	0.3
150.03181	0.3
157.01518	0.3
165.05615	0.4
171.72742	0.3
173.04562	1.7
175.02470	1.6
177.01927	1.5
179.02414	0.3
180.04329	0.3
191.05634	2.3
195.06662	0.7
205.07281	0.4
215.05490	0.3
231.05096	2.0
249.06174	12.5
267.07278	1.5
333.11945	1.5
350.84479	0.4
351.13019	96.7
352.13452	0.5
452.07135	0.3
530.64850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03467	0.2
59.01379	3.4
61.98838	0.3
62.46288	0.2
71.01382	4.3
72.48445	0.2
73.02960	1.3
76.41238	0.2
77.03967	0.2
83.01414	0.5
85.02946	1.8
86.61806	0.2
89.02457	1.6
93.03492	0.3
98.55746	0.2
99.00909	0.4
101.02442	3.0
104.02683	0.2
105.03515	0.4
107.05051	0.3
113.02456	1.5
116.92889	0.2
117.03493	1.3
120.46894	0.2
123.04511	0.3
125.02425	0.5
132.02194	1.9
133.02966	37.8
134.03735	1.4
135.04538	14.8
161.02463	100.0
162.02802	0.5
166.23302	0.2
177.05582	0.3
179.03511	8.2
221.04616	0.4
291.18201	1.3
417.92917	0.2
520.23004	0.2
747.30975	30.8
748.31238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.0
57.83967	1.8
59.01384	55.6
59.01657	3.0
60.56264	1.7
61.98840	33.0
69.80659	2.2
71.01384	31.6
72.99338	3.2
73.02959	4.7
76.57404	2.3
78.43499	1.7
85.02949	15.6
87.00893	4.0
88.98796	4.5
89.02456	32.6
93.03484	11.4
96.96030	12.7
99.00872	4.5
101.02441	19.7
101.58137	2.2
108.02144	2.8
109.02943	4.8
111.04583	2.4
111.60704	2.1
113.02471	9.3
117.03481	4.5
119.03523	8.8
119.05031	8.5
121.02936	16.5
122.03733	12.2
133.02953	9.2
134.03764	3.2
135.04506	9.6
136.01617	3.9
137.02483	3.1
145.02977	20.6
147.04507	4.6
149.02440	33.0
149.05981	3.0
150.03241	100.0
151.04077	2.6
160.01692	3.8
161.02457	4.9
161.04556	2.8
163.04018	5.3
164.04773	4.3
165.01936	3.0
165.05580	62.2
167.79727	2.2
173.04501	3.8
175.04004	13.2
177.01944	4.6
177.05634	2.9
179.03362	3.0
179.05582	3.7
180.04305	4.6
180.86378	2.4
191.03781	2.9
191.05620	24.1
191.07053	2.7
195.06656	20.0
205.05087	3.7
220.46321	2.5
223.06189	3.0
247.56294	2.2
284.99316	2.6
341.59485	2.5
359.15088	4.4
409.16013	2.6
414.77249	2.4
537.21234	9.8
551.20740	3.3
687.41632	4.8
699.26587	40.8
747.29132	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	745.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32698	1.3
54.89191	1.6
55.01896	10.4
57.03460	2.9
57.08787	1.3
58.00600	1.6
59.01388	88.0
61.82508	2.0
61.98845	9.5
62.59703	1.6
65.51881	1.8
69.03473	7.9
71.01385	84.8
71.59171	1.3
72.99305	7.9
73.02951	40.5
75.00870	3.1
81.03485	3.1
83.01391	21.5
85.02958	44.8
87.00865	12.6
89.02444	45.3
89.02935	2.5
94.17898	1.5
95.01376	6.8
95.58485	1.6
97.02948	13.5
99.00882	22.8
99.04603	1.6
99.92593	2.9
101.01786	2.9
101.02452	88.6
108.07081	1.7
108.98392	1.6
109.02976	2.7
111.00902	2.3
113.02464	41.5
115.04028	2.9
116.58683	1.5
116.92877	42.3
117.02032	1.6
117.03464	4.0
117.05577	7.6
119.03523	8.1
125.02478	27.0
131.03546	4.2
132.02196	20.8
133.02991	6.4
134.03757	64.7
135.04546	7.6
143.03517	7.2
149.04617	2.3
149.06125	8.4
160.01678	91.0
161.02431	7.6
161.04567	23.0
175.04028	94.9
179.03450	2.5
179.05559	2.4
191.05634	7.1
193.05086	35.5
198.25555	1.5
289.58298	1.7
291.18228	48.3
405.21259	7.4
423.22531	17.5
435.22385	3.1
453.23349	3.0
494.34546	1.7
567.26721	100.0
568.27179	2.3
578.01703	2.3
585.27887	75.0
627.28729	43.7
715.84540	2.4
745.16687	3.4
745.29486	65.9
746.29553	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	745.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.9
57.03458	2.8
58.00600	1.7
59.01386	87.3
61.98838	9.3
69.03484	1.8
71.01383	58.4
72.99310	2.7
73.02950	14.4
83.01400	5.9
85.02949	25.8
86.16138	1.2
87.00872	2.2
88.98820	1.6
89.02449	46.4
89.03004	1.9
93.03467	5.5
95.01389	3.3
97.02974	3.1
99.00893	2.7
101.02442	45.7
103.31268	1.4
113.02454	24.3
116.92883	3.2
119.03526	13.1
119.04992	1.9
125.02448	5.5
133.02971	2.2
135.04543	1.8
137.02411	2.9
143.03499	3.1
145.03003	1.5
149.02448	8.2
149.04485	2.5
150.03221	15.8
151.04050	1.6
159.02977	1.8
160.01567	1.4
161.02434	3.0
161.04576	7.4
163.04010	2.1
165.05588	9.9
173.04558	1.5
179.03632	1.7
179.05598	5.6
191.05629	11.7
195.06660	3.4
199.09889	1.5
221.06639	2.5
299.01886	1.5
309.07767	2.0
312.45276	1.4
317.13263	1.7
323.09518	1.6
339.08704	6.2
361.29758	15.2
369.13486	5.5
517.18829	2.2
523.35107	14.4
574.34082	1.9
685.40363	100.0
686.40106	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	745.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
58.00599	0.4
59.01383	25.9
63.56713	0.2
71.01380	10.6
72.99304	0.6
73.02965	0.6
83.01386	1.2
85.02953	2.4
85.06584	9.4
87.00861	2.2
89.02440	14.6
90.81902	0.3
95.01424	0.4
96.96025	1.7
99.00910	0.3
101.02441	9.9
103.00372	1.0
110.51388	0.2
110.82967	0.3
113.02460	4.7
113.06097	5.1
115.07653	1.5
119.03515	6.1
119.04993	0.6
121.02943	1.8
127.07652	1.8
129.05563	0.3
130.99826	0.5
131.07140	46.6
133.02925	0.5
135.04539	0.4
143.03554	0.4
149.04610	0.4
161.04582	0.3
163.04077	0.5
173.04584	1.3
173.08191	1.7
178.31590	0.3
179.05539	0.4
191.05637	1.4
193.32230	0.3
242.29605	0.3
253.03716	0.9
267.90839	0.3
293.12469	100.0
294.12723	1.1
471.42752	0.3
473.81702	0.3
588.09967	0.3
740.61285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03463	2.3
58.00584	0.5
59.01386	36.9
59.99503	0.4
61.98844	4.8
67.03622	0.5
69.03452	2.1
70.35606	0.5
71.01382	29.3
71.01776	1.0
72.99310	1.1
73.02949	15.0
75.00877	2.2
81.03450	0.7
83.01388	6.6
85.02953	14.4
87.00887	4.5
87.79739	0.6
88.98826	2.3
89.02449	21.4
89.03976	0.8
92.10841	2.1
93.03434	0.8
95.01402	2.4
96.96027	0.7
97.02963	4.8
99.00887	10.8
101.02451	27.0
103.40148	0.5
104.05409	0.6
109.02937	0.9
111.00871	1.1
113.02464	14.4
115.03999	0.7
116.92870	6.9
117.03461	4.4
117.05604	2.3
119.03492	3.2
121.02975	0.6
124.01646	0.7
125.02450	8.7
131.03490	3.1
132.02177	20.8
133.02962	4.4
134.03752	60.3
135.04501	2.5
137.02443	1.1
143.03519	3.5
147.04541	0.9
149.04584	4.1
149.06081	7.0
159.02959	1.3
160.01674	100.0
161.02493	6.8
161.04582	6.2
173.04530	0.5
175.04021	87.5
176.04643	1.2
177.01909	0.7
178.02763	4.0
179.03508	0.8
191.05641	2.8
191.07208	1.2
193.05083	37.8
207.06627	0.7
221.06644	0.6
233.06659	0.6
235.06139	3.7
277.06955	0.6
291.18219	12.9
385.49683	0.6
392.22632	0.6
423.22473	5.7
466.00470	0.6
567.26611	25.1
585.27716	18.1
627.28906	10.0
663.55432	0.7
667.32190	1.0
685.41339	2.1
745.29352	59.2
746.29712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.4
57.03450	3.2
58.00618	0.7
59.01387	52.2
60.28401	0.7
61.98833	7.1
62.83195	0.5
64.17217	0.6
66.51492	0.6
68.99821	0.7
69.03461	3.4
71.01383	49.2
72.99317	2.8
73.02946	25.0
75.00875	2.8
81.03437	1.2
83.01394	10.1
84.03296	0.7
85.02955	25.0
86.00098	1.2
87.00871	4.0
88.98812	1.1
89.02447	28.2
89.03986	0.6
93.03456	0.9
95.01400	4.1
97.02942	7.1
99.00885	15.9
101.02447	44.4
107.75150	0.6
109.02953	1.0
111.00904	2.7
112.01650	0.8
113.01697	1.4
113.02455	25.9
115.03989	0.7
115.23421	0.7
116.92857	9.6
117.03432	5.2
117.05568	3.4
119.03467	3.5
121.02944	1.2
125.02454	12.8
125.06078	0.7
127.03987	1.0
131.03491	3.1
132.02176	21.0
133.02969	1.7
134.03748	58.9
135.01814	0.6
135.04512	3.6
137.02408	3.0
143.03510	3.9
149.04575	3.5
149.06065	5.7
159.03023	1.4
160.01671	100.0
161.02516	6.1
161.04558	11.9
167.47856	0.7
175.04019	91.9
176.04666	1.4
178.02687	4.3
179.03467	1.2
179.05666	1.0
191.05646	3.2
191.07204	1.1
193.05087	36.4
224.24835	0.8
233.06548	1.1
235.06165	2.9
291.18207	21.1
333.19180	1.1
405.21289	1.1
423.22467	13.9
435.22195	1.6
453.23444	4.2
567.26715	52.2
585.27777	39.9
627.28839	27.0
667.32098	0.8
745.29419	58.9
746.29260	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	745.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.4
57.03458	1.1
58.00348	0.4
58.00597	3.7
59.01386	100.0
61.98820	1.9
71.01383	47.0
72.99310	4.8
73.02963	1.7
74.83920	0.4
83.01397	2.9
85.02953	13.1
87.00872	2.4
88.98793	0.5
89.02444	53.7
89.79353	0.4
93.03452	2.2
95.01397	4.5
96.36687	0.4
101.02444	22.5
107.04992	0.6
108.02094	0.4
109.02992	0.5
112.87882	0.5
113.02464	18.2
117.10187	0.5
119.03502	20.2
121.02953	3.6
122.03751	5.8
123.04505	0.5
125.02477	0.5
131.03513	2.1
133.02957	0.7
134.03738	0.7
136.01605	0.6
137.02478	0.6
143.03500	3.0
149.02460	15.6
149.04526	1.8
150.03239	39.6
151.03960	0.5
151.67633	0.4
154.42488	0.4
160.01685	2.2
161.02412	0.7
161.04622	4.1
161.05797	0.6
163.04060	0.7
164.04768	2.4
164.33150	0.4
165.05586	28.4
173.04509	0.5
177.02074	0.5
179.05614	6.1
179.07114	1.0
180.04295	2.7
191.05656	1.0
195.06642	12.1
234.11275	0.5
237.34592	0.5
240.07878	0.7
252.07986	0.6
268.07446	3.0
279.06653	0.8
280.07489	2.4
283.09717	2.4
293.08188	0.5
295.06229	0.6
296.06967	2.1
308.07001	3.1
309.07672	2.5
311.09302	3.5
322.08270	0.7
323.09427	5.0
323.12729	0.8
324.06287	2.8
324.10080	1.7
330.34503	0.5
337.10812	1.0
338.11633	1.1
339.04504	0.7
339.08762	16.9
339.12396	0.8
340.09473	0.5
353.10236	0.6
354.11053	6.2
361.29782	0.6
369.13507	22.1
427.11801	0.6
430.46558	0.5
463.36987	0.4
517.18805	7.0
647.58105	0.5
685.40662	6.2
745.25903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.1
55.57459	0.8
57.03465	1.5
58.00609	1.9
59.01389	100.0
60.99311	1.6
61.98834	13.8
71.01385	55.0
72.99323	4.6
73.02940	4.1
73.63137	0.9
83.01399	2.1
85.02944	14.4
87.00880	1.4
88.98809	5.7
89.02446	57.3
93.03469	7.4
95.01374	4.4
96.96035	1.3
99.00906	1.7
101.02438	25.8
113.02458	20.4
116.92870	1.4
119.03506	21.2
119.04968	1.5
121.02963	8.8
122.03749	11.8
122.39670	1.1
123.04598	1.2
125.02501	1.2
131.22809	1.3
135.04547	9.3
136.01656	7.9
137.02441	2.2
143.03477	4.2
145.02985	1.4
147.04492	1.2
149.02449	21.7
149.04474	1.0
150.03239	83.5
151.00328	1.6
151.04048	9.9
152.01193	1.7
160.01669	2.1
161.02461	7.3
161.04599	2.4
163.03996	1.3
164.04781	5.3
165.05586	64.1
166.02747	7.9
167.03584	1.4
175.03975	4.9
177.01944	1.2
179.03494	1.7
179.05682	8.3
179.06998	1.6
180.04259	7.0
181.05077	6.4
189.05403	1.3
190.06393	2.2
191.05597	6.0
195.06644	22.3
215.56813	1.4
233.07925	1.0
233.84077	1.0
268.07367	2.2
271.11005	1.3
280.07608	1.5
296.06900	2.0
307.06219	1.0
308.07037	4.0
311.09271	1.6
322.08365	1.1
323.09259	6.3
324.06546	2.0
339.08765	27.5
354.11316	7.0
357.09473	1.9
357.13474	2.2
368.98651	1.0
369.13458	25.0
383.85376	1.1
387.14746	10.3
433.15405	1.3
450.16989	1.2
453.35266	1.0
535.19952	15.3
583.22156	12.6
684.38568	4.2
685.39691	10.3
745.26306	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	745.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.1
59.01386	48.1
59.15007	1.0
61.98838	13.8
64.53279	1.1
71.01381	23.6
72.99303	2.2
73.02948	2.9
77.96297	1.2
78.91902	5.4
83.01451	1.4
85.02960	7.0
87.00899	4.8
87.95294	1.1
88.98824	5.1
89.02435	23.7
90.16673	1.2
92.10847	2.7
93.03464	5.4
95.01385	1.7
96.96011	1.4
99.34494	1.3
100.54371	1.1
101.02451	14.5
109.02935	1.4
113.02477	7.9
119.03503	9.1
121.02936	5.8
122.03757	12.6
123.00851	1.6
123.04443	1.7
133.02977	2.3
135.04494	2.1
136.01694	11.2
137.02417	1.9
145.03001	1.6
149.02417	15.7
150.03232	100.0
151.00374	1.9
151.04033	16.7
161.02434	1.6
164.04851	2.6
165.05574	83.7
166.02731	10.6
170.73784	1.2
175.03934	1.5
177.05582	1.5
179.05655	2.5
180.04285	6.5
181.05029	9.9
181.96480	1.4
191.05669	5.5
195.06659	47.0
357.13651	1.4
372.12234	1.7
387.14566	14.4
452.81165	1.2
535.19855	2.9
583.22028	12.8
685.41760	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	743.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28498	0.7
55.01883	1.3
56.39409	0.7
57.03456	1.3
58.00605	1.2
59.01387	53.6
59.83373	0.8
61.98842	1.8
69.03463	1.7
69.13573	0.9
71.01385	41.6
72.99306	4.7
73.02946	16.0
75.00875	1.5
78.08176	0.8
83.01407	5.2
85.02951	15.5
87.00863	6.5
88.98793	6.9
89.02446	45.0
91.37786	0.9
92.10777	1.5
93.03464	1.9
95.01388	3.7
96.96015	1.6
97.02930	1.7
99.00882	16.1
101.02444	32.2
111.00903	1.4
113.02466	15.2
115.04041	1.5
116.92856	2.2
119.03497	8.1
119.05023	1.2
125.02434	5.8
131.03458	3.9
133.03020	0.9
135.04544	3.8
137.02492	1.5
143.03488	1.2
147.04517	1.3
149.04562	6.2
160.01698	2.2
161.02444	1.7
161.04584	3.8
173.04564	0.9
175.04054	2.0
179.03548	1.2
191.05635	7.2
193.12404	1.5
337.09100	1.9
345.24475	1.5
371.22324	1.2
389.23401	1.6
551.28754	5.6
581.31793	1.1
683.32245	100.0
684.32867	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	742.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82900	0.8
58.43159	0.7
59.01396	4.6
60.03614	0.7
61.01834	0.8
61.98841	100.0
62.82619	0.6
64.96523	0.7
71.01402	1.9
76.77944	0.8
80.74368	0.8
89.02431	1.0
101.02458	1.3
113.02512	0.8
119.03454	0.8
133.30237	0.8
201.11328	3.7
209.11853	6.7
210.12215	1.8
213.15295	0.9
227.12956	1.0
263.58389	1.0
277.21704	3.2
278.22083	4.0
281.24805	1.9
282.25201	3.8
290.61496	0.8
299.84460	0.8
398.13989	1.2
399.14047	1.7
400.14487	0.9
557.98755	0.9
584.58759	0.9
623.13666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82716	0.2
55.01886	1.0
57.03455	2.8
58.00607	0.3
59.01384	16.5
67.01899	1.2
68.99821	2.1
69.03461	1.7
71.01380	14.8
72.99306	4.8
73.02951	1.9
75.00867	16.3
81.03469	1.5
83.01382	1.4
83.05087	0.2
85.02950	19.5
87.00871	6.5
87.01374	0.4
89.02449	4.9
91.04006	0.3
92.10871	0.4
93.03461	1.4
93.30028	0.2
95.01390	4.8
97.02968	0.8
99.00876	10.1
101.02451	0.4
103.00383	2.1
109.02976	0.8
111.00895	1.2
111.04527	0.3
113.02454	17.4
115.00378	2.0
115.04021	0.3
117.01931	4.2
121.02952	94.0
122.03249	0.7
125.96371	0.2
127.04053	0.2
129.01994	1.4
130.99884	0.3
135.04524	6.3
157.01413	0.9
159.46570	0.2
175.02428	1.7
189.04076	1.2
191.05557	0.9
201.73616	0.2
204.15953	0.2
207.22971	0.2
231.05096	3.9
249.06174	46.9
277.36572	0.2
353.08951	1.1
371.09888	100.0
372.10324	1.5
474.82407	0.2
517.23096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45334	0.9
55.01896	1.3
57.03465	2.6
58.00608	4.4
59.01387	100.0
60.99308	1.6
61.98847	4.8
63.73183	1.1
71.01385	57.4
72.99335	7.5
73.02966	2.3
83.01414	4.9
83.05045	1.6
85.02958	14.8
87.00884	2.0
88.98801	11.1
89.02445	55.2
93.03480	1.8
95.01402	5.3
96.93438	1.0
99.00913	2.4
101.02448	25.2
113.02451	19.1
116.92883	7.3
119.03520	15.1
121.02975	1.9
122.03732	2.8
125.02448	1.7
131.03511	2.1
134.03795	2.1
135.04558	2.5
143.03653	2.1
144.31361	1.0
149.02438	8.9
150.03247	24.4
161.02525	1.4
161.04562	2.0
165.05585	21.6
173.04625	1.3
175.04031	1.9
177.05571	1.6
178.02676	1.7
179.05609	5.4
185.51646	1.2
191.05684	4.6
193.05103	1.4
195.06638	10.8
209.11888	2.6
227.12956	1.5
250.06424	1.2
266.05853	1.9
274.35028	1.4
278.05948	2.5
292.07602	1.2
294.05408	4.7
306.05298	2.2
309.07574	9.2
321.07773	5.5
337.07233	23.2
352.09500	13.8
367.11908	35.1
515.17126	11.7
563.19946	1.5
650.71796	1.2
683.28723	2.4
683.38977	4.6
743.25720	2.0
743.37482	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	741.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43761	0.9
55.01896	2.4
57.03459	2.3
57.44139	1.0
57.48603	1.0
58.00608	4.4
59.01388	79.2
60.41245	1.0
61.98841	7.6
69.03465	1.6
71.01383	68.0
71.01782	2.4
72.99312	4.6
73.02945	15.4
75.00876	1.3
80.67397	1.1
83.01401	7.3
84.14582	1.0
85.02959	15.6
87.00885	4.9
89.02443	90.6
93.03461	4.7
95.01374	2.1
96.96010	4.8
97.02958	4.1
99.00878	26.7
101.02448	41.7
106.91319	1.1
113.02443	24.3
119.03511	15.4
120.55926	1.1
123.08099	1.3
125.02426	8.1
131.03494	12.6
135.04556	1.9
143.03546	2.5
149.04552	16.1
152.08522	1.3
161.04538	6.4
163.03981	1.6
173.04630	1.4
179.05594	8.1
189.12892	11.9
191.05652	24.0
207.13991	2.1
221.06683	4.5
233.06729	2.2
280.67786	1.2
285.12445	1.7
293.08777	1.9
303.13461	1.5
329.57242	1.2
387.20352	6.0
519.24683	44.2
520.24426	1.5
681.29907	100.0
682.29688	2.7
736.13391	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	741.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	77.9
61.98838	6.4
71.01377	53.9
72.99311	2.2
73.02940	18.6
74.06660	1.9
75.00872	1.5
85.02956	15.2
87.00896	3.2
89.02444	80.9
89.09859	1.7
93.03466	1.7
95.01382	3.1
96.96009	6.4
99.00879	29.5
99.28490	1.6
101.02440	30.3
113.02421	13.7
119.03514	8.6
120.99579	1.6
121.82958	1.6
125.02491	2.5
131.03506	9.3
133.02998	3.0
135.04515	6.9
144.92725	1.6
149.04578	12.8
161.02446	2.4
176.81084	1.8
179.03499	2.5
191.05666	26.2
599.16492	1.9
681.29883	100.0
759.63068	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
58.00610	0.8
59.01382	41.6
69.03477	1.4
71.01383	27.8
72.15530	1.0
72.99298	1.3
73.02956	5.8
81.03450	1.2
82.17214	0.9
83.01383	3.9
85.02519	0.9
85.02961	8.4
87.00871	4.2
87.16873	0.8
89.02445	28.7
91.65423	0.8
95.01403	1.3
97.02960	5.0
99.00860	1.5
101.02448	24.7
113.02443	9.2
119.03494	7.2
125.02448	5.5
143.03474	1.8
161.04573	2.3
179.05641	4.2
221.06679	1.5
235.08182	7.3
283.26459	100.0
284.26642	1.1
284.88071	1.1
287.07736	1.5
297.27829	1.3
305.08942	1.9
311.68054	1.0
372.85565	0.9
397.13550	79.9
415.14639	25.6
681.40527	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	741.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80000	0.9
64.78600	0.9
66.60691	0.7
77.03970	3.3
88.98798	0.8
111.59556	0.9
121.02950	100.0
152.74663	1.0
153.33026	1.1
165.01933	36.7
181.06616	1.5
209.11879	1.1
313.07239	1.1
357.06247	8.4
389.50385	0.9
521.74530	1.2
741.14545	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	741.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.5
59.51764	0.3
61.98843	0.6
65.95519	0.4
68.32237	0.4
71.01385	4.6
73.02945	1.6
77.71026	0.4
78.95911	2.8
79.95737	2.2
85.02956	1.0
87.00851	0.6
89.02467	3.7
89.48602	0.4
93.03490	0.8
95.11868	0.4
96.96014	100.0
96.96899	4.2
101.02434	2.0
113.02466	1.6
121.02966	6.1
124.39654	0.4
135.04570	0.6
137.02443	0.6
150.56450	0.4
151.04065	0.5
155.10809	0.6
160.04120	0.5
161.02333	0.5
161.04541	0.5
165.05580	0.5
174.36703	0.4
179.54816	0.4
191.05586	2.5
193.04982	0.6
218.57823	0.5
241.05025	1.0
256.07538	0.5
579.67255	0.4
663.30255	2.5
681.30676	1.0
741.33221	0.5
750.80103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82515	0.2
55.53334	0.2
59.01386	11.0
60.01716	1.4
61.01805	0.2
61.98835	100.0
64.34161	0.2
71.01390	1.4
73.02924	0.5
83.05064	0.3
85.02962	0.5
94.17892	0.3
101.02443	0.4
101.63932	0.2
113.02444	0.4
125.99657	0.3
138.90147	0.2
154.42371	0.2
161.04544	0.4
175.43855	0.3
191.05705	0.3
212.22339	0.2
221.11266	0.2
323.21982	0.2
516.30743	0.3
680.36346	1.1
723.03882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12166	0.2
59.01394	4.0
60.73600	0.2
61.01847	0.2
61.98844	100.0
71.01385	1.8
73.02941	0.3
84.28192	0.2
85.02963	0.6
87.00899	0.3
88.79416	0.2
89.02448	1.3
90.02772	0.3
99.24763	0.2
101.02452	1.5
113.02444	1.1
118.96293	0.3
119.03513	0.4
243.40919	0.3
255.71886	0.3
262.61771	0.3
275.82281	0.3
279.23370	3.5
280.23654	3.3
281.23923	1.4
282.24210	0.4
397.13821	1.3
398.13885	1.4
399.13977	2.3
400.14389	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	740.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10587	0.1
59.01387	0.8
59.22404	0.1
61.98835	100.0
64.00270	0.1
71.01365	0.1
72.02148	0.1
76.02643	0.1
78.94724	0.1
81.03455	0.4
83.05028	1.0
84.05370	0.3
92.10791	0.1
94.64380	0.1
111.55646	0.1
119.98267	0.1
124.22204	0.1
152.92345	0.1
180.89859	0.1
191.05579	0.1
196.51709	0.1
225.16051	0.4
225.18060	0.1
226.16513	0.5
436.33936	0.1
452.33203	0.1
453.33932	0.2
454.33682	0.1
662.49493	0.1
678.49945	0.6
679.50397	1.4
680.50714	3.4
740.49347	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	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	11.8
61.98792	5.4
71.01389	8.6
71.94402	5.0
78.46394	4.7
92.10229	7.1
99.00909	9.8
101.02441	4.8
137.65016	5.8
139.69011	5.3
163.11337	13.3
171.10257	36.1
181.12288	13.1
199.13417	32.4
207.10292	49.1
225.11389	90.0
243.12395	9.4
253.09363	11.3
277.21768	92.9
313.67441	6.0
359.92490	6.0
461.20432	9.4
521.57458	6.3
574.11383	6.2
594.67444	7.9
739.42706	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45857	2.2
57.72815	1.7
59.01378	4.4
64.26779	1.6
68.51832	1.7
71.01389	2.7
77.33033	2.0
90.68093	2.1
99.02869	1.9
101.02460	2.5
108.49317	1.7
171.10289	53.2
188.53894	2.2
193.64046	2.4
207.10286	3.2
220.81155	2.0
222.93475	2.1
225.11327	14.8
235.08229	3.9
248.91718	2.1
253.09395	7.5
277.21744	100.0
279.23163	2.4
348.25534	2.2
557.12506	2.1
648.46851	2.2
721.41742	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	740.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
58.65294	0.2
59.01388	17.6
60.01715	2.0
61.01814	1.0
61.98838	100.0
64.34128	0.2
71.01386	1.9
76.97869	0.2
83.01378	0.3
85.02969	1.1
92.10152	0.3
97.97996	0.2
99.00857	0.3
101.02447	1.1
108.15525	0.2
113.02447	0.4
118.97549	0.2
121.02927	0.3
161.04491	0.3
162.04887	0.3
201.50835	0.2
204.77071	0.2
210.33966	0.2
238.46896	0.2
496.54312	0.2
517.31122	0.3
518.31909	0.2
679.36963	0.4
680.37683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72062	2.9
55.01902	6.7
56.79049	2.3
57.03453	4.7
59.01386	96.2
61.98837	64.0
65.23318	2.5
71.01382	82.6
71.01727	4.2
72.02047	2.5
72.58132	2.9
73.02968	19.4
74.73794	3.2
83.01407	12.3
85.02954	41.2
87.00876	4.3
89.02444	37.8
95.01381	4.8
99.00890	11.3
101.02422	60.3
113.02441	27.7
119.03497	20.1
131.03523	4.1
143.03448	3.8
161.04607	15.1
161.09731	12.6
179.05637	12.6
221.06747	17.5
263.07932	4.9
289.81656	3.2
517.32001	5.3
544.23663	4.1
639.54327	3.5
717.92853	3.7
739.42926	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	739.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85628	1.5
54.01660	1.6
54.67680	1.6
59.01393	4.2
59.12556	1.5
67.55290	2.0
71.01411	8.9
77.07416	1.8
83.58376	2.0
89.02448	3.3
92.10815	3.7
135.46991	1.9
150.92604	1.9
163.11299	2.2
171.10286	100.0
172.95316	1.9
207.10295	9.1
225.11372	38.7
253.09309	11.4
277.21735	83.9
461.20248	4.5
721.42188	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.0
61.98838	1.3
63.28446	1.0
71.01400	2.9
71.75046	1.2
89.02414	2.0
95.05033	1.2
96.92764	1.4
101.02454	1.8
101.30901	1.1
113.02496	1.5
119.03503	1.7
127.11367	1.7
171.10271	100.0
189.91423	1.5
199.13438	1.5
207.10291	10.6
214.90836	1.3
225.11357	34.3
235.08134	1.8
253.09305	6.8
277.21768	75.4
285.53198	1.4
332.75287	1.5
390.30066	1.3
407.19437	2.6
443.19196	2.3
461.20499	6.1
477.09320	1.5
628.37152	1.6
721.41840	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	739.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54892	0.3
55.01878	1.0
57.03461	0.5
59.01385	100.0
61.98833	6.2
63.99277	0.4
65.51107	0.4
71.00992	0.7
71.01381	10.6
73.02953	3.4
76.38483	0.4
76.57924	0.4
81.03431	0.5
83.01393	1.0
83.05031	0.7
85.02955	7.7
87.00887	0.5
89.71917	0.4
92.10132	1.3
96.96012	0.9
97.02928	0.4
99.00871	2.6
101.02454	6.8
107.97399	0.5
111.04524	1.6
113.02473	4.2
121.02957	5.4
159.03017	1.7
161.04564	7.1
191.03477	2.8
215.62292	0.4
517.31744	8.3
679.37140	16.3
739.39490	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	739.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11968	1.9
59.01388	47.1
71.01389	30.4
73.02970	5.0
83.01427	3.5
85.02969	10.1
87.00882	4.1
89.02441	31.0
97.02962	4.3
99.00902	3.1
99.46146	2.3
101.02440	24.3
103.60489	2.2
106.61351	2.2
113.02456	10.3
119.03500	9.7
125.02445	4.2
161.04607	2.6
163.11330	3.3
171.10306	21.8
189.83687	2.9
207.10304	9.6
213.22684	2.2
225.11356	13.0
229.09512	2.6
235.08226	3.8
243.12440	3.0
253.09315	2.7
261.08008	2.3
277.21793	33.0
281.24872	100.0
397.13580	73.3
415.14709	23.4
721.39496	3.0
739.42450	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	739.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	2.1
57.03457	0.7
58.00614	0.6
59.01386	40.2
64.86343	0.3
65.69761	0.4
69.03490	2.0
71.01389	27.8
71.40642	0.3
72.99329	1.9
73.02956	4.7
81.03493	1.5
83.01396	3.5
84.95169	0.4
85.02966	7.1
85.03381	0.4
87.00893	5.5
89.02454	27.1
89.36353	0.4
92.10059	0.4
95.01406	2.2
97.02950	3.9
99.00900	1.7
101.02451	22.3
109.03019	0.6
111.00903	0.5
111.04531	0.6
113.02466	10.3
113.94878	0.3
115.04053	0.4
119.03516	7.0
124.01719	0.4
125.02444	10.8
131.03497	0.7
133.05096	0.8
139.04056	0.8
143.03496	2.7
148.40158	0.3
161.04599	3.3
171.10309	6.0
179.05669	3.3
207.10313	0.5
207.59785	0.3
221.06761	2.3
225.11340	2.9
235.08263	7.4
245.06528	0.7
245.48251	0.3
253.09317	2.3
263.07932	0.7
272.12946	0.4
277.21771	9.1
281.24899	100.0
282.25168	0.8
287.07797	3.1
295.26416	0.6
305.08835	2.0
397.13556	73.0
398.14096	0.5
415.14639	23.6
416.14694	0.4
574.58533	0.4
679.39526	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	739.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50501	0.4
54.42009	0.4
57.03454	3.0
58.00595	0.6
59.01381	12.0
60.99334	0.9
67.01894	6.9
68.99823	0.8
69.03465	2.9
71.01377	14.3
72.99312	2.1
73.02958	1.1
73.23240	0.4
75.00871	9.9
81.03453	2.2
83.01401	0.9
83.05054	1.9
85.02944	19.4
87.00874	12.0
89.02427	4.0
93.03450	40.4
95.01383	3.4
97.02958	0.7
99.00871	7.5
99.04516	0.8
100.62804	0.5
101.06071	1.1
103.00365	0.6
109.02980	2.3
111.00896	0.9
111.04537	7.0
113.02443	13.1
115.00362	0.8
115.04039	0.5
117.01940	2.0
117.03484	2.0
121.02949	61.0
127.03992	1.2
129.01936	2.2
132.73688	0.4
134.03737	16.9
137.02454	0.7
149.06091	1.1
155.03465	2.2
160.01707	0.6
171.02986	0.8
173.03072	0.9
173.04549	21.8
175.02478	0.8
175.03900	0.9
191.05626	100.0
192.05879	0.7
193.05090	7.9
231.05042	3.5
249.06178	31.7
367.10373	25.3
371.09869	69.6
372.09979	0.9
376.29126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	4.5
59.01388	49.3
66.75493	2.7
70.95074	2.6
71.01382	69.5
72.99335	3.6
73.02962	23.6
74.09377	2.4
81.03484	12.2
83.01416	11.6
83.05047	13.4
85.02949	45.0
87.00875	28.6
89.02448	50.1
93.03466	5.7
95.01431	3.1
96.96040	11.1
97.02953	6.0
99.00877	25.7
99.04536	10.6
101.02438	33.6
108.02222	2.9
109.02316	2.6
109.02979	16.1
111.00907	5.3
113.02472	12.7
115.00397	3.4
119.03522	5.1
121.02969	4.7
123.00928	3.6
125.02460	12.3
127.04007	24.3
131.03502	3.4
132.02164	18.3
133.02995	4.6
134.03778	27.1
135.04494	14.0
138.03232	2.7
146.18245	2.4
149.04564	2.9
149.06142	4.1
151.00421	3.6
154.45181	3.0
160.01668	69.4
161.02454	25.4
161.04605	3.7
163.04044	11.3
164.04773	10.3
165.05507	3.0
166.02756	14.0
173.04520	4.1
174.01758	3.0
175.04036	100.0
176.04794	11.3
178.06416	4.4
179.03549	17.2
179.05698	4.0
179.07178	10.8
181.05074	6.1
190.02748	3.0
191.03517	16.3
191.05632	36.7
191.07166	7.2
193.05067	23.6
193.08662	3.6
194.05855	14.6
201.01970	4.3
206.05791	8.7
207.03027	3.8
209.08200	13.7
219.02945	5.5
221.08382	4.3
223.06076	3.1
233.06665	4.4
234.05341	10.8
237.07687	3.6
247.02576	10.8
249.07626	5.6
261.04111	3.1
262.04901	11.7
264.06570	3.4
265.07233	6.3
277.07193	17.1
328.50772	2.7
337.09366	50.6
501.23541	15.6
547.27649	3.9
603.17377	4.8
679.32019	77.9
707.18286	3.5
721.20490	24.1
739.20959	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56298	0.1
59.01112	0.1
59.01389	2.5
60.01718	0.2
60.61890	0.1
61.98835	100.0
71.01029	0.2
71.01373	1.7
71.01678	0.1
72.01722	0.2
73.02978	0.1
85.02960	0.3
85.84416	0.1
86.76087	0.1
87.00871	0.2
89.02448	1.3
90.02762	0.2
92.10122	0.4
97.02934	0.2
97.90092	0.1
99.00887	0.2
101.02457	1.1
102.50003	0.1
113.02470	0.5
119.03468	0.2
124.50331	0.1
125.02448	0.2
141.76952	0.1
180.05910	0.2
197.39160	0.1
235.08197	0.1
277.21674	1.8
278.22128	2.1
279.22357	1.3
280.22672	0.5
352.30588	0.1
397.13675	0.9
398.14005	1.3
399.14172	1.8
400.14313	1.0
416.14969	0.2
417.15204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	3.7
61.98837	100.0
71.01395	1.5
88.35119	0.6
89.02518	1.0
92.10120	1.2
93.53094	0.7
94.35865	0.7
95.92409	0.8
101.02468	1.1
111.22363	0.7
148.59380	0.8
203.51505	0.7
207.50662	0.7
238.61958	0.8
277.21838	1.3
278.22034	3.1
298.20062	0.7
397.13498	1.2
398.13809	1.1
399.14169	3.2
611.71143	0.8
655.54840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03798	0.3
59.01388	10.6
60.01730	0.5
61.98836	100.0
64.71429	0.3
71.01385	1.9
79.04369	0.3
79.88023	0.3
83.01385	0.4
83.54072	0.3
85.02981	0.8
90.84100	0.3
101.02440	0.8
105.64809	0.3
127.80141	0.3
148.41702	0.4
161.04561	0.5
176.48294	0.3
179.14560	0.4
205.11778	0.4
514.29187	0.8
516.29742	0.6
524.44415	0.4
554.83862	0.4
677.33801	0.5
678.34705	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	737.413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.7
69.03475	4.3
71.01399	4.0
73.02949	1.0
85.02967	1.4
89.02458	1.9
89.78875	0.9
97.02948	1.6
101.02429	3.9
109.40955	1.1
113.02480	1.8
123.08200	1.5
125.09706	1.5
151.11307	2.5
153.12898	1.1
161.04552	1.1
161.09715	6.5
169.12395	1.4
179.10791	8.8
197.11855	54.2
241.10844	4.0
244.32268	0.9
277.21750	80.1
652.96002	1.1
655.17389	1.2
737.41333	100.0
738.41467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21772	2.1
59.01391	16.8
59.61488	2.1
63.78665	2.2
112.21337	2.7
125.09718	2.6
159.78781	2.7
161.09750	3.1
179.38167	2.5
197.11873	87.8
223.09756	6.8
241.10860	3.2
245.51524	2.7
274.80051	2.7
277.21793	52.4
381.10172	2.7
446.70651	3.2
598.23370	3.2
737.41260	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	737.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15651	0.1
54.82739	0.1
58.02988	0.2
59.01392	17.0
63.06972	0.1
63.75454	0.1
64.81967	0.1
70.02950	0.1
71.67985	0.1
80.05081	0.2
81.03469	8.3
82.06646	0.2
83.05038	26.6
100.07684	0.5
104.26556	0.1
107.06180	0.7
108.04560	0.8
125.07206	1.8
126.05589	0.6
143.08253	0.8
157.13496	0.2
168.63672	0.1
181.17148	0.1
183.14990	0.1
193.86700	0.1
207.15022	2.1
208.13345	0.2
222.16199	0.2
224.17714	4.6
225.16115	16.9
226.16531	0.2
242.18805	1.1
268.16782	0.1
290.22333	0.2
309.21967	1.1
324.26566	0.9
327.66760	0.1
333.22891	1.2
339.27603	0.1
341.29221	1.6
351.23886	0.2
367.27185	2.0
385.28268	0.2
407.33939	0.2
409.31656	0.1
418.15375	0.1
433.31870	1.6
450.34659	1.8
451.32971	10.3
535.38831	0.1
550.43561	1.6
559.39783	0.5
565.44525	0.5
567.45807	0.2
577.41034	0.2
593.44171	0.7
612.07434	0.1
659.48804	3.0
677.49829	100.0
678.50092	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	737.377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.5
57.03466	2.7
59.01387	100.0
60.01672	0.5
61.83703	0.7
61.98840	1.5
71.01385	25.9
71.41230	0.5
72.99312	0.7
73.02946	10.4
81.03445	0.8
83.01369	4.9
83.05048	3.8
84.02173	0.9
85.02959	19.3
87.00887	1.4
88.15250	0.6
89.02466	2.9
92.05416	0.6
92.10861	1.2
93.03480	0.8
95.01422	3.6
96.96015	8.2
99.00889	5.1
101.02453	23.0
104.23250	0.7
111.04524	3.9
113.02456	13.1
143.03487	1.4
159.02992	3.4
161.04579	20.8
191.05592	1.6
213.09399	0.6
225.09219	1.4
265.46698	0.7
272.07474	0.7
343.20145	0.6
353.21240	2.4
465.26471	2.5
468.72681	0.7
481.27142	0.9
497.29166	18.4
659.34503	38.2
660.35425	1.0
677.35559	4.0
737.37646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92860	0.4
53.04721	0.4
55.01884	1.1
57.03453	0.9
58.00602	0.8
59.01386	57.3
64.16553	0.6
68.17379	0.5
69.03465	1.4
71.01380	27.5
72.99328	1.0
73.02931	6.3
81.03484	0.7
83.01405	3.5
85.02946	7.0
87.00866	4.7
89.02440	27.5
93.03501	0.5
93.49633	0.5
95.01389	2.4
97.02948	4.8
97.87056	0.6
99.00881	1.1
100.98039	0.6
101.02445	19.5
113.02460	10.4
117.00450	0.6
119.03487	7.7
121.03024	0.7
125.02436	7.8
131.03545	0.8
133.05043	0.9
139.04062	0.7
141.01723	6.8
143.03546	3.3
161.04576	4.6
176.00395	0.6
179.05574	2.5
183.29803	0.7
185.04605	0.7
220.20206	0.6
221.06766	1.0
235.08237	7.5
241.77817	0.6
253.09216	1.3
279.23328	100.0
280.23672	1.3
287.07672	1.5
301.46573	0.7
305.08823	2.7
323.09906	0.6
379.51779	0.6
391.20071	0.6
397.13574	75.8
398.13684	1.0
415.14578	20.8
442.76297	0.6
448.29639	0.6
457.45227	0.6
535.27820	1.4
677.37427	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	737.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.3
57.03450	3.7
59.01385	100.0
61.98841	1.9
71.01379	34.7
73.02954	12.8
75.00885	1.9
83.01395	10.2
83.05056	7.6
84.17512	1.7
85.02965	25.0
89.02470	3.1
95.01399	8.7
99.00896	8.1
101.02444	28.0
111.04548	8.6
113.02440	20.0
157.69301	1.9
161.04565	19.7
183.67926	2.0
207.40541	2.0
225.09233	2.3
256.59518	2.1
321.69894	2.4
339.74808	2.0
376.22421	2.1
394.67593	2.2
440.68759	2.1
497.29202	22.9
641.32458	3.6
659.34576	42.0
677.35571	3.3
727.50696	2.4
734.64490	2.1
737.38062	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	737.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03463	1.3
59.01384	100.0
71.01376	19.3
71.43287	0.8
73.02965	6.1
75.36024	1.0
76.02124	0.9
76.67247	1.1
79.63675	1.1
81.51480	1.0
83.01406	2.0
83.45114	1.0
85.02938	11.7
89.02452	1.2
95.01395	2.0
96.96063	3.7
99.00869	4.4
101.02431	11.5
109.16561	1.0
113.02454	8.3
119.05050	1.0
126.90408	7.2
135.04582	1.2
156.03915	1.0
161.04590	10.5
191.05580	1.1
225.09210	5.2
497.29123	17.0
515.30066	1.4
563.31592	1.3
644.78552	1.3
659.34503	47.3
660.34399	1.2
677.35651	1.9
766.54236	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	737.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	2.8
78.04969	0.7
85.02978	0.9
93.03462	52.8
96.96046	2.9
116.16325	0.7
125.30000	0.6
135.03003	0.7
137.02461	100.0
138.02817	0.7
139.77614	0.6
211.32581	0.8
217.00191	0.7
224.32219	0.7
229.72784	0.7
282.30215	0.7
284.41406	0.7
299.07864	15.4
315.29590	0.7
510.10843	0.9
575.23792	0.7
660.04175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25681	1.2
59.01387	100.0
59.61208	1.3
61.98842	2.3
62.99939	1.2
69.03446	1.6
71.01379	22.7
73.02961	7.8
78.95912	2.7
83.01394	3.1
83.05051	3.5
85.02964	15.5
85.11491	1.4
89.02476	2.4
95.01395	3.2
96.96013	96.3
96.96957	3.4
99.00905	3.2
101.02442	12.2
111.04536	3.0
113.02454	9.5
119.27519	1.5
156.60175	1.6
161.04538	11.3
191.05638	1.9
497.29306	13.8
659.34564	36.3
677.35187	12.0
695.36823	2.5
737.38037	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	737.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
57.26989	0.6
59.01393	100.0
71.01389	8.9
72.67624	0.7
73.02959	4.2
83.01372	1.1
83.05026	1.3
85.02959	6.0
88.59442	0.7
91.43826	0.9
92.10852	1.6
93.03462	1.7
101.02444	6.4
104.89928	0.6
111.04525	1.1
113.02467	4.3
121.02962	1.1
149.06122	1.4
161.04578	6.6
209.12019	1.2
220.94733	0.8
335.55435	0.8
515.30176	8.8
652.72028	1.1
677.35693	11.2
737.37805	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	737.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82466	1.0
55.01893	1.3
57.03468	1.1
59.01390	100.0
61.98866	1.2
71.01399	14.7
73.02966	2.0
81.80634	0.9
83.05048	1.1
85.02960	7.6
96.13249	0.9
96.96024	1.2
99.00857	1.7
101.02419	7.2
108.84950	0.9
111.04523	1.3
113.02460	5.3
161.04549	8.5
319.28833	1.1
335.82144	1.1
362.79565	1.1
497.13013	1.1
515.30145	9.8
517.79803	1.0
524.81799	1.1
635.94269	1.2
677.35474	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	737.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24458	0.8
56.84623	0.8
57.03452	1.0
59.01388	14.6
60.99336	1.8
61.44451	0.9
61.98845	6.7
64.14747	0.9
67.01898	8.9
69.03494	1.2
70.28606	0.8
71.01387	7.8
73.02956	1.6
81.03489	1.7
85.02962	12.9
87.00863	13.7
89.02459	6.1
92.10102	2.3
93.03462	64.3
95.29153	0.9
96.96024	3.8
99.00889	1.8
101.02478	1.7
109.02949	2.2
111.04539	10.1
113.02454	1.7
117.03482	1.7
119.05020	1.1
127.04025	1.6
129.02032	1.1
132.02144	1.2
133.02965	14.6
134.03802	1.9
135.04533	9.0
137.02484	2.1
145.02995	10.2
150.03223	1.0
151.37216	0.9
160.01686	6.6
161.02443	9.7
163.04070	1.3
173.04581	28.4
176.01163	5.8
176.16272	1.0
177.01964	4.7
178.02704	1.3
179.03494	4.6
190.02760	1.1
191.03636	6.3
191.05643	100.0
209.06129	1.0
211.52087	1.1
265.05057	1.3
307.08508	1.3
309.04184	4.2
324.06409	3.9
339.08829	10.5
351.07150	4.1
357.09564	1.0
368.05435	1.8
369.06201	1.8
383.07660	10.3
429.13977	1.4
531.15222	17.8
557.13086	45.4
737.19867	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	737.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
66.50868	0.2
67.01910	0.9
71.01377	3.0
73.02937	0.2
75.00900	0.2
75.35883	0.2
78.18525	0.2
81.03474	0.4
83.05042	0.3
85.02947	10.4
87.00867	3.9
89.02441	1.3
93.03455	8.8
96.95972	0.4
97.02965	0.2
99.00852	0.2
99.04510	0.3
101.02470	0.4
109.02954	1.6
111.04531	1.7
111.22021	0.2
113.02406	0.2
116.92870	0.4
119.03447	0.2
120.99586	0.2
121.02946	0.8
127.04022	3.5
135.04503	0.2
136.01643	0.5
137.02411	0.4
143.03479	0.2
150.03212	0.3
151.04002	0.5
155.03558	0.3
159.04501	0.4
161.02417	0.3
163.03990	0.3
165.01904	0.5
165.05508	0.3
166.02728	0.4
171.03021	1.0
173.02470	0.3
173.04562	2.6
175.03996	0.3
179.03427	0.3
179.05618	0.2
181.05104	0.3
185.02530	0.2
191.05624	100.0
192.05995	1.0
195.06607	0.4
197.06032	0.3
198.06845	0.2
204.79465	0.2
209.06076	0.9
218.61456	0.2
225.05618	0.4
235.03989	0.5
237.05537	1.6
239.07208	0.3
247.04056	0.2
248.04848	0.3
249.05566	0.2
251.03558	0.3
253.05048	2.2
254.05948	0.3
263.03540	1.7
264.04459	0.4
265.04959	1.7
266.05966	0.4
267.03006	0.5
271.06107	0.5
277.04913	0.3
279.02939	0.9
280.03714	0.3
281.04544	2.9
283.06143	1.5
291.02988	0.9
292.03845	0.5
295.06113	1.6
296.06918	1.9
298.08530	1.3
307.02475	0.9
308.03497	0.3
309.04037	4.0
310.04868	1.0
312.06177	0.3
313.10956	1.2
323.05621	2.0
324.06348	3.5
335.01822	0.7
338.23331	0.2
339.05460	0.5
339.08774	15.5
339.12976	0.5
342.07526	0.4
350.04434	0.9
354.03653	0.3
357.09848	2.2
365.06699	2.1
368.05307	2.2
369.06131	1.5
383.07819	8.9
425.08835	2.5
485.10825	0.3
531.15247	7.0
545.13135	0.4
557.13049	14.6
558.12988	0.5
573.16229	1.6
575.14301	1.5
677.17432	1.2
678.05579	0.2
737.19086	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	736.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98933	0.1
59.01387	0.2
61.69334	0.1
61.98842	100.0
63.99193	0.1
71.01402	0.1
72.47277	0.1
89.02427	0.2
92.66091	0.2
96.96021	0.7
101.02425	0.1
209.11824	1.7
210.12161	1.2
211.12549	0.3
228.94493	0.1
247.24637	0.1
413.82315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.3
59.01389	15.7
67.01908	4.9
71.01386	10.9
74.43864	0.8
76.22559	1.0
81.03452	1.0
82.57748	0.9
85.02956	16.6
87.00874	10.9
89.02468	4.3
93.03461	32.9
96.96009	1.5
99.00887	1.1
101.02453	1.2
109.02977	1.4
111.04549	7.9
119.03521	1.1
121.02978	5.0
127.04045	4.0
133.02968	5.5
134.03705	1.7
135.04526	1.4
142.92595	1.2
165.05659	1.0
173.04601	12.9
178.02670	1.1
179.03546	1.0
179.07220	1.1
181.05067	1.5
191.05659	100.0
209.06097	1.7
225.05646	1.2
226.06290	1.9
235.04161	1.8
253.05112	6.1
263.03568	4.1
265.05014	2.4
267.06854	1.8
268.07477	1.7
279.03043	2.1
281.04559	8.1
291.02985	2.0
295.06180	8.2
296.06851	7.0
307.02484	2.3
309.04163	9.3
310.04648	5.0
323.05704	11.5
324.06406	8.8
325.07022	1.3
335.01822	1.1
337.07178	1.4
339.08743	11.4
340.05652	1.1
350.04269	4.9
354.03857	4.8
355.04752	1.3
357.10007	1.4
365.06671	9.2
368.05481	13.2
369.06091	10.8
383.07816	58.1
395.96259	1.1
425.08997	12.7
485.11057	2.1
545.13025	5.5
557.13141	78.5
558.13348	1.8
627.73218	1.2
677.17255	5.6
737.19275	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	735.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92428	0.6
55.01900	3.2
57.03474	3.7
59.01392	100.0
60.66746	0.5
61.98840	0.7
71.01391	17.7
73.02962	5.7
75.00893	0.6
83.01414	2.5
83.05048	2.2
84.02211	0.6
85.02967	16.6
89.02456	0.5
95.01418	1.1
99.00899	2.2
101.02452	14.1
111.04497	1.3
113.02477	7.8
123.89803	0.6
135.00337	0.6
143.03447	0.7
149.91667	0.6
150.58452	0.6
159.02997	1.2
161.04607	11.7
161.05981	1.6
175.07671	1.3
184.33182	0.6
275.70959	0.7
296.53247	0.7
351.19943	0.9
357.80170	0.6
369.20679	1.1
495.27420	2.5
513.28674	21.5
514.36591	0.8
586.47095	0.7
675.34094	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.5
57.03475	2.8
59.01386	56.2
61.98835	1.1
71.01378	16.9
73.02955	7.8
81.03474	1.0
83.01401	3.9
83.05054	4.1
85.02953	16.4
86.76025	0.6
87.00885	1.1
89.02438	0.8
93.03471	3.6
95.01382	1.1
99.00883	2.7
101.02447	10.0
111.04528	5.7
113.02454	7.4
119.05040	0.9
121.02948	15.8
121.06605	0.7
122.03753	0.7
123.04493	1.0
124.39015	0.7
129.78085	0.5
132.82213	0.6
133.10915	0.5
135.04572	0.7
141.01691	2.4
161.04485	1.1
191.05550	1.0
204.35786	0.7
207.66522	0.6
247.54535	0.7
333.18707	0.7
345.21039	0.7
351.19797	1.5
369.20749	3.0
495.27621	5.5
513.28693	26.1
514.28638	0.9
575.13525	0.7
632.96899	0.8
675.34033	100.0
676.34589	0.8
712.32947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.7
57.03443	0.7
58.00615	1.0
59.01386	50.2
60.30944	0.6
62.96212	0.6
68.23354	0.6
69.03474	2.7
71.01382	28.6
72.99303	1.3
73.02940	5.8
81.03478	1.3
83.01386	5.1
83.04984	0.5
85.02948	6.4
85.76525	0.7
87.00900	4.2
89.02440	33.3
95.01401	1.5
97.02952	5.5
99.00900	1.2
101.02441	23.4
113.02446	10.7
119.03513	8.4
125.02443	10.6
141.02005	1.0
142.42564	0.8
143.03487	2.6
161.04550	5.2
179.05627	3.8
217.07234	1.0
221.06671	2.7
235.08289	8.7
253.09254	1.5
263.07761	0.9
267.22827	0.8
277.21765	94.0
278.22144	1.2
287.07751	3.0
305.08847	2.8
331.94583	0.7
397.13577	100.0
415.14679	34.0
675.36285	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	735.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.9
59.01111	0.8
59.01384	17.0
71.01383	16.2
72.99298	0.8
73.02955	2.1
75.00877	0.8
85.02956	10.4
86.32224	0.5
87.00874	3.5
89.02439	6.9
93.03445	4.1
95.01389	0.6
96.95998	0.9
99.00860	0.6
99.04452	0.6
101.02447	6.1
111.04530	1.1
113.02451	4.8
119.03513	1.3
127.04018	2.5
129.09193	3.4
131.07162	1.2
133.02968	3.6
135.04523	2.8
155.10750	0.8
161.02428	1.2
173.04533	2.2
177.01730	0.6
179.03423	1.3
191.05635	100.0
192.05963	3.2
201.11388	4.2
215.05666	0.9
219.12427	11.3
249.06221	2.4
267.07126	0.7
351.07083	0.8
353.08862	9.7
381.13962	6.0
381.17883	55.1
382.17868	0.9
559.61835	0.7
683.07318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42735	0.6
53.49027	0.6
55.01898	1.4
57.03469	1.0
59.01390	18.0
67.01925	0.9
71.01397	21.3
71.01779	0.9
72.99334	3.9
73.02950	7.7
74.02503	1.1
81.03510	0.8
83.01425	3.3
85.02972	13.1
87.00909	2.8
89.02460	8.2
93.03474	9.6
95.01432	1.3
99.00909	1.3
101.02457	18.4
101.03101	1.1
111.04565	2.9
113.02491	9.3
119.03506	1.2
121.02917	0.7
127.04041	1.2
129.09280	0.7
133.03012	2.6
135.04533	18.5
137.02460	0.7
155.03484	1.5
159.02962	2.3
161.02466	1.4
161.04552	5.7
173.04573	20.8
179.03531	13.9
188.26923	0.7
191.05643	52.7
201.11417	1.1
235.11925	8.1
261.08768	1.4
291.14514	5.0
305.12451	1.3
317.16202	4.9
351.07367	1.5
353.08890	17.9
363.16708	8.6
367.16202	12.8
381.17734	100.0
382.18134	1.0
699.30530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43346	0.1
54.82711	0.1
54.84293	0.1
59.01382	0.1
67.85561	0.1
69.33242	0.1
73.02953	0.9
76.27339	0.1
99.00859	0.5
99.92587	9.7
107.76022	0.1
110.39122	0.1
111.12904	0.1
112.39265	0.1
114.93402	0.7
115.92072	0.3
116.92863	100.0
117.01936	1.3
117.92852	0.6
119.05052	0.2
122.66882	0.1
163.04059	0.1
250.50648	0.1
330.13495	0.1
384.27835	0.1
717.30652	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69897	0.2
65.91496	0.2
73.02939	1.0
75.92907	0.2
76.52210	0.2
98.39001	0.3
99.92584	10.1
112.66747	0.3
114.93428	0.4
116.92863	100.0
117.01939	1.2
117.92891	1.0
147.18523	0.2
152.02893	0.2
201.66322	0.2
234.85536	0.3
713.16895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.4
57.03463	0.8
59.01385	23.1
64.74284	0.4
67.01923	0.4
71.01382	12.6
71.05054	0.5
72.99312	0.6
73.02926	0.8
75.00855	4.2
75.25161	0.5
81.03490	0.5
83.01424	0.5
85.02956	13.3
87.00861	4.8
89.02441	5.2
92.10786	0.4
93.03452	5.3
95.01398	2.2
99.00895	3.5
101.02431	3.7
102.60857	0.5
105.03495	0.6
111.04529	1.6
113.02448	10.0
113.06094	2.0
115.00379	0.6
117.01971	0.6
119.03471	1.9
127.04033	1.8
129.09206	2.2
131.07143	6.5
133.02953	4.3
135.04526	2.8
135.93301	0.4
161.02466	1.0
171.03052	0.7
173.04594	2.5
177.01907	0.6
179.03500	0.9
191.05634	100.0
192.06015	1.9
201.11385	2.2
202.53867	0.5
219.12386	5.6
231.05136	0.8
236.87320	0.5
249.06157	12.3
267.07285	2.5
309.08398	0.5
309.20099	0.5
351.07272	0.8
353.08868	8.7
363.13312	1.0
381.13977	31.2
381.17871	24.4
498.98651	0.5
695.06287	0.5
767.72455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45703	0.5
53.06013	0.4
53.84591	0.4
57.03829	0.4
57.80005	0.4
59.01388	1.7
65.98018	0.4
71.01398	2.1
73.02965	0.5
74.91782	0.4
75.00826	0.4
85.02950	1.8
87.04517	3.2
93.03456	56.6
96.95995	0.8
101.02451	0.5
136.51675	0.4
137.02448	100.0
148.49129	0.5
191.05615	0.4
205.83540	0.6
289.57593	0.5
299.07785	14.6
337.11560	3.5
407.31335	0.4
429.53244	0.6
486.43765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.4
59.01384	15.4
64.78582	0.3
67.01913	0.4
70.04884	0.3
71.01384	10.5
72.99311	1.6
73.02962	2.3
83.01401	1.4
84.04910	0.4
85.02945	10.0
87.00889	2.3
89.02446	7.2
93.03459	3.1
95.01508	0.4
96.96014	2.3
99.00885	0.7
101.02441	10.3
109.02965	0.4
111.04478	1.3
113.02455	4.4
116.83943	0.4
119.03485	2.3
123.99899	0.4
127.04016	2.1
133.02913	0.7
135.04515	1.0
144.01283	0.5
157.12294	0.4
161.02477	2.5
161.04538	0.9
173.04517	1.6
179.03485	0.7
191.05627	100.0
192.06018	2.8
193.06084	0.7
198.13205	0.4
201.11336	1.9
219.12332	0.7
245.45995	0.4
248.98454	0.5
291.14468	2.5
317.16083	3.0
353.08847	10.6
354.09283	0.5
363.16479	4.6
381.17719	65.5
382.17923	0.8
499.99298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.8
59.46147	0.2
66.24747	0.2
67.26817	0.2
71.01403	0.4
74.70807	0.2
74.99093	0.2
85.02956	1.6
87.00880	0.5
89.02453	1.0
93.03470	1.3
99.00899	0.2
99.04534	0.2
101.02455	0.3
106.04234	0.4
121.02957	2.2
133.02985	1.5
134.03757	67.1
135.04192	0.2
137.02463	10.5
139.04041	3.2
149.06100	21.8
150.03242	1.2
160.67352	0.3
161.02461	0.3
178.02742	45.6
179.03207	0.3
191.05653	11.2
192.04489	0.2
192.05977	2.1
193.05081	100.0
194.05460	0.4
203.03503	0.4
337.09302	0.3
353.08975	1.0
354.09250	0.3
355.10419	16.9
379.16229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11068	0.4
57.96629	0.4
58.79112	0.4
59.01385	100.0
59.10006	0.5
61.98849	0.4
66.97416	0.4
69.72975	0.4
71.01408	0.5
85.02932	0.7
88.16767	0.5
92.65640	0.5
96.99297	2.9
112.51600	0.5
126.04380	0.5
128.46521	0.5
138.14818	0.5
141.01709	34.6
143.40459	0.5
152.15056	0.5
167.01949	0.5
174.44307	0.5
212.35455	0.6
212.78038	0.6
231.13033	0.6
546.04163	0.6
586.91992	0.6
673.30737	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	733.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.6
59.01392	34.9
71.01398	53.9
73.02963	13.1
83.01416	6.8
85.02966	21.5
89.02464	18.5
99.00871	4.4
101.02448	35.8
112.86639	2.7
113.02467	19.1
114.53912	2.7
137.02498	4.9
155.82468	3.2
161.04527	6.9
184.15202	2.9
191.05624	6.1
194.24161	3.0
210.32858	3.0
289.55902	3.0
303.14566	3.3
325.41766	3.3
349.23837	18.9
511.29288	19.7
521.47937	3.7
673.34491	100.0
732.08862	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	733.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16531	0.1
67.65901	0.1
72.55486	0.1
81.45069	0.1
84.32081	0.1
92.65868	0.1
97.06588	0.1
116.92860	0.5
267.92099	0.2
277.21732	3.1
407.33240	1.0
455.35403	100.0
456.35791	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	733.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
59.01386	10.4
59.27744	0.5
59.49144	0.5
61.98843	2.0
71.01387	10.0
72.99313	0.8
73.02946	4.8
75.00874	0.7
83.01398	1.1
85.02956	6.1
87.00889	0.9
87.30311	0.5
89.02454	3.8
89.03974	0.9
95.01388	0.5
97.02968	0.9
99.00890	2.6
100.80314	0.5
101.02456	9.6
108.31670	0.6
113.02444	4.0
117.03461	4.1
119.03492	0.5
125.02466	2.0
131.03484	0.6
132.02170	22.8
133.02956	2.5
134.03745	61.6
135.04504	1.2
137.02470	1.0
149.06096	7.3
160.01671	100.0
161.02467	6.3
161.04567	3.0
175.04019	96.7
176.04579	1.9
178.02757	3.5
179.03520	2.1
191.05605	0.8
191.07225	1.0
193.05072	38.3
213.55650	0.6
225.84811	0.5
235.06125	2.4
257.13141	0.7
263.15005	5.7
285.21274	0.5
395.19119	0.7
403.47729	0.6
453.62549	0.5
490.42368	0.7
516.83862	0.5
573.80023	0.5
733.29407	66.4
734.29236	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	733.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70880	0.2
59.01379	2.0
60.99314	18.8
61.81853	0.2
61.98824	0.3
62.97618	0.2
71.01381	1.2
73.02950	0.6
76.45674	0.2
85.02942	1.0
87.00876	2.0
88.00395	0.5
88.98809	100.0
89.02445	4.0
89.99149	0.3
92.66077	0.3
101.02422	1.2
113.02479	0.3
131.03439	0.3
157.12300	0.5
161.04546	0.3
179.03516	0.3
191.05646	1.3
204.94528	0.3
208.65128	0.2
221.06592	0.2
225.26103	0.2
229.10802	0.4
229.43721	0.3
400.57196	0.3
425.58514	0.3
643.33533	0.5
673.34052	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	733.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
59.01387	1.6
60.99320	0.7
67.01894	2.0
69.03461	0.7
71.01382	1.5
73.02962	0.3
75.00886	0.2
81.03435	0.9
82.37575	0.1
83.05044	0.7
85.02954	5.8
87.00876	5.1
89.02468	0.5
91.29856	0.1
92.65887	0.1
93.03461	16.7
94.03804	0.2
95.24728	0.1
99.00902	0.7
99.04522	0.6
101.02466	0.2
101.06087	1.6
102.06422	0.2
102.86642	0.1
105.03448	0.2
106.09313	0.1
109.02989	0.9
109.03614	0.1
109.63976	0.1
111.04525	3.0
112.02271	0.1
113.02459	0.8
116.92867	1.5
119.05031	6.6
123.04513	0.2
127.04015	1.9
129.01964	0.6
133.02982	1.8
134.03438	0.1
135.04564	0.7
137.02428	0.3
145.02991	1.3
153.11089	0.1
155.01984	0.1
155.03506	0.7
161.02451	1.2
163.04013	5.1
171.02950	0.3
173.04570	8.5
177.01996	0.3
178.11699	0.1
179.03474	0.5
191.05644	100.0
192.05981	0.7
193.05013	0.1
215.03365	0.1
215.05559	0.2
237.50520	0.1
282.34467	0.2
337.09384	16.5
351.07327	0.3
351.12988	0.9
352.07654	0.2
352.13364	0.2
353.08884	5.4
369.19711	0.2
449.09433	0.1
582.48651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01379	2.9
59.49515	0.3
67.01904	1.3
69.03458	0.3
71.01383	2.2
73.02969	0.4
75.00874	0.4
76.57487	0.3
81.03484	0.4
83.05026	0.3
85.02947	5.7
86.04364	0.3
87.00883	3.6
89.02439	1.7
92.10126	0.4
93.03446	8.2
96.96014	0.5
97.20724	0.3
99.00841	0.3
101.02443	0.4
101.06088	2.4
105.03442	0.4
109.02972	0.4
111.04504	2.9
113.02448	0.5
116.92841	0.6
119.05009	2.5
121.02939	0.6
125.02453	0.6
127.04020	2.2
133.02948	2.5
134.03677	0.3
135.04552	0.6
145.03032	0.4
149.04590	0.4
150.03177	0.3
161.02484	1.5
163.04010	2.5
164.98436	0.3
171.02957	0.5
173.04561	3.4
176.70714	0.3
191.05627	100.0
192.05980	0.6
209.02730	0.4
233.06664	0.4
265.07434	0.3
293.08817	1.5
337.09280	8.1
337.33917	0.3
351.07339	0.3
351.13028	1.9
352.13443	0.4
353.08853	10.8
353.13303	0.4
573.44293	0.4
707.05145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	3.7
57.03459	3.2
58.00602	1.8
59.01385	99.8
61.98832	54.8
61.99121	2.7
62.98579	1.6
62.98961	1.5
63.99266	3.9
71.01381	100.0
72.99322	6.9
73.02950	22.5
75.00862	2.2
83.01407	10.1
85.02956	31.9
87.00862	18.9
88.98837	3.9
89.02443	87.6
89.03009	2.9
93.03464	3.4
95.01395	3.7
97.02959	3.1
99.00900	9.4
101.02444	62.3
107.78762	1.7
113.02458	47.7
116.65618	1.6
119.03496	24.3
119.04993	2.3
124.37133	1.5
125.02470	3.4
129.89713	1.5
130.95496	1.7
131.03519	19.0
132.02217	2.5
133.02971	4.0
134.03751	7.0
135.04539	7.2
137.02454	3.4
143.03528	6.6
155.10881	2.3
159.03000	3.6
160.01675	12.6
161.02512	12.1
161.04565	43.5
175.04031	13.2
177.02138	1.7
177.05573	1.8
178.02722	2.0
179.05637	51.0
180.00719	1.7
191.05692	3.2
193.05005	6.2
219.03046	2.1
221.06706	60.7
234.05200	2.1
263.07788	52.4
296.39868	1.8
323.10007	2.9
341.11069	3.0
553.25177	8.5
562.18835	2.1
571.26190	4.0
671.32941	58.3
731.27509	12.3
746.98108	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	731.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33303	1.0
61.98840	100.0
73.65720	1.0
78.38651	1.0
82.94801	1.0
83.26575	1.0
84.38527	1.2
99.89191	1.1
125.36798	1.0
126.25529	1.0
138.28534	1.1
411.20148	1.2
492.95029	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	732.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62122	0.3
59.01150	0.3
59.01383	3.0
60.04507	0.4
61.98835	100.0
68.68309	0.3
71.01382	1.8
81.72382	0.3
85.02966	0.6
85.88374	0.4
89.02444	0.7
93.03464	0.5
101.02447	1.3
113.02492	0.4
145.35202	0.4
155.10756	0.4
157.75717	0.3
160.01636	0.4
191.05618	0.5
553.60046	0.4
659.72101	0.5
671.42444	0.5
672.41656	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	731.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.7
57.03449	3.1
59.01390	94.8
61.98839	23.3
71.01382	84.7
73.02950	17.0
75.00888	5.9
83.01418	14.0
85.02954	40.3
87.00864	16.0
88.98817	15.6
89.02451	52.7
95.01395	4.6
96.96023	6.7
97.02954	3.3
99.00896	6.7
101.02455	67.3
111.00928	3.8
113.02454	30.5
119.03512	18.1
125.02428	5.3
133.02985	4.4
135.04517	12.3
135.97052	3.1
143.03583	4.5
145.02916	5.9
150.03223	5.7
151.04086	4.4
161.02409	4.2
161.04613	24.6
163.04007	4.3
164.04869	3.9
165.05592	4.5
179.05627	15.7
191.05640	26.1
193.05009	4.0
221.06667	5.8
323.09659	4.1
347.22333	4.5
509.27722	15.4
625.93036	3.3
671.32239	100.0
731.28290	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	731.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.3
57.03459	3.2
58.00601	0.8
59.01391	41.0
61.98853	4.4
71.01392	52.0
72.99322	1.5
73.02954	16.4
76.41991	0.8
83.01398	9.7
85.02970	25.6
87.00903	5.2
89.02456	22.4
93.03461	1.6
95.01399	3.9
95.24641	0.7
96.96017	1.4
97.02931	1.6
99.00882	9.2
101.02453	41.5
113.02468	22.1
119.03491	7.9
125.02506	1.2
131.03540	1.5
133.03018	0.8
134.03748	1.3
135.04475	2.0
137.02495	0.9
143.03511	1.1
150.03239	1.2
151.04018	1.1
159.02992	1.9
160.01636	1.5
160.72165	0.9
161.02478	1.2
161.04594	12.0
175.04001	1.6
179.05641	6.4
191.05617	10.1
193.05040	3.1
221.06802	5.9
263.07663	1.4
337.09506	1.3
419.52325	0.9
509.27597	8.1
535.17133	0.9
612.41779	0.9
653.31909	3.2
671.32977	100.0
672.33124	3.2
731.28876	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	731.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82254	0.5
58.00645	0.5
59.01386	14.3
67.05535	0.5
67.66850	0.4
69.03482	0.6
71.01395	5.2
73.02955	1.2
80.02695	2.2
81.03061	0.5
81.03444	4.0
83.01384	0.9
83.05028	8.8
83.05396	0.5
84.02193	2.3
85.02940	2.1
87.00905	0.6
89.02461	3.6
92.10773	1.7
93.03469	0.8
94.03898	0.5
95.05032	2.3
97.02959	8.4
97.06596	0.8
99.00917	0.7
101.02442	6.0
107.05061	1.1
108.02212	1.0
109.06600	23.7
110.03771	1.3
113.02447	2.1
119.03494	0.8
121.06587	2.1
123.08134	0.7
125.09716	1.3
135.08170	5.6
136.05296	1.2
142.02737	1.2
152.01140	1.1
161.04558	1.3
161.09720	2.1
163.11305	21.6
165.12875	3.6
171.10300	1.0
179.05658	0.7
181.12378	4.6
184.88927	0.5
185.11813	2.7
189.09229	1.0
191.10789	2.2
197.01128	2.4
207.10303	63.9
208.10497	0.7
209.11871	100.0
210.12265	0.7
221.11884	0.8
223.13338	0.7
225.11369	26.2
227.12938	8.7
231.10326	0.9
235.08255	2.5
247.13261	0.6
249.11322	1.2
253.09329	10.0
263.12875	0.9
265.14279	0.7
288.53946	0.6
367.65448	0.6
373.24054	0.7
389.23642	0.6
399.21884	5.2
417.22849	4.8
443.19199	1.2
461.20496	7.3
542.02637	0.7
609.29297	0.6
613.44086	0.6
635.30927	13.9
653.31860	12.8
671.33075	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3436
Annotation	Manassantin A
Peak:m/z	Relative Intensity
56.10528	2.0
59.01387	31.1
59.34180	1.9
61.98844	10.3
71.01381	22.5
73.02947	7.8
78.99549	2.3
79.95763	2.2
80.96503	2.5
83.01403	1.9
85.02977	11.3
85.64262	1.9
88.98820	4.1
89.02439	15.6
90.27007	2.5
92.75258	1.8
93.03427	2.4
95.01425	2.6
96.96034	2.4
99.00901	4.1
101.02448	14.3
113.02470	8.2
113.98830	2.4
119.03537	2.6
119.05032	2.8
132.02213	8.7
134.03755	20.5
135.04584	3.0
149.04611	2.4
149.05971	3.1
150.03242	2.7
160.01660	38.5
161.02385	3.8
175.04042	32.2
179.03500	3.5
179.05637	3.1
189.17667	2.1
191.05589	9.1
193.05080	10.2
209.11838	9.3
219.03136	2.6
272.65579	2.3
309.25021	2.3
326.89236	2.1
443.70422	2.3
470.25070	2.1
539.62579	2.2
607.55615	2.6
671.33929	4.6
731.34949	100.0
732.34149	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	731.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.2
59.96473	2.4
61.98833	3.3
71.01383	3.4
71.85320	2.7
73.02954	3.9
77.13357	2.9
83.01414	3.5
85.02986	4.9
99.30969	3.0
101.02448	3.4
108.55096	3.3
109.19699	3.2
113.02480	3.4
114.56723	2.7
117.03449	25.5
118.31044	2.9
119.05056	25.0
121.03009	2.7
128.46071	2.8
145.02974	100.0
163.04053	24.4
188.37958	3.0
244.92413	3.2
281.95752	3.2
452.18311	3.3
728.26770	3.7
731.32770	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82606	0.5
59.01386	7.9
61.98833	4.5
71.01375	8.3
73.02957	3.0
79.27233	0.6
83.01404	0.9
85.02966	4.0
87.00864	0.6
89.02428	4.1
96.96075	1.1
97.02952	0.6
99.00901	2.5
101.02444	7.2
106.75026	0.5
113.02460	3.4
116.92899	0.9
117.03462	31.7
119.05025	27.4
121.02953	1.2
123.87843	0.5
137.02394	0.7
145.02963	100.0
146.03297	1.2
149.04517	0.7
149.51372	0.5
161.04607	0.8
161.06053	1.1
163.04018	25.6
191.05702	0.9
213.05170	0.7
226.73401	0.6
291.18207	2.8
542.09222	0.7
545.19458	0.7
609.33051	2.4
695.36029	5.0
731.33136	70.2
732.32764	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	731.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29398	0.4
57.29744	0.5
59.01384	15.1
60.99322	0.7
61.98833	8.3
63.99257	0.5
69.03461	0.8
71.01379	12.2
72.99297	0.8
73.02946	4.0
83.01405	1.0
85.02968	4.7
87.00874	0.9
88.98806	5.9
89.02435	13.3
89.03984	2.5
92.10156	0.9
95.01391	0.6
96.96017	0.7
97.02966	0.7
99.00883	3.2
101.02436	8.4
113.02435	3.8
117.03447	4.8
119.03501	2.6
119.05003	0.6
125.02484	1.9
131.03537	2.1
132.02171	22.1
133.02974	2.9
134.03743	61.2
135.04546	0.9
137.02478	2.7
143.03526	0.5
147.04526	0.5
149.04483	0.7
149.04930	0.6
149.06104	7.1
160.01669	100.0
161.02478	4.2
161.04549	1.1
175.04016	90.8
176.04726	1.1
177.01797	0.5
178.02704	3.8
179.03514	0.6
179.05670	2.0
191.05583	2.4
191.07114	1.6
193.05069	30.9
235.06139	1.1
263.07504	0.6
370.67984	0.5
374.84784	0.5
378.71408	0.5
539.18597	0.5
671.35144	0.9
731.27777	55.8
732.27997	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	731.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03450	0.3
58.11781	0.2
59.01390	3.7
59.89422	0.2
61.98574	0.3
61.98834	2.2
67.06701	0.2
71.01383	4.5
73.02958	1.9
75.00882	0.3
83.01404	1.0
85.02965	2.7
87.00892	0.4
89.02438	2.7
96.96006	0.3
97.02953	0.4
97.41399	0.2
99.00880	1.3
100.57234	0.3
101.02433	4.7
113.02438	2.1
117.03465	30.0
118.03847	0.3
119.05023	22.8
125.02448	1.1
137.76074	0.3
143.03511	0.5
145.02960	100.0
146.03282	0.7
159.02974	0.3
161.04544	1.1
161.05948	0.8
163.04012	22.9
183.26695	0.3
187.03966	0.3
205.05077	0.5
225.73358	0.3
291.18225	1.8
378.32001	0.3
423.22623	0.5
432.82932	0.3
445.10779	0.3
498.05469	0.3
511.00528	0.3
633.14478	0.4
731.31390	37.4
732.31708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	4.1
57.03460	3.9
58.00613	1.0
59.01392	38.5
61.98844	5.5
67.01913	0.9
68.99865	0.6
69.03481	1.2
71.01393	44.1
72.99310	3.9
73.02955	13.9
75.00890	0.9
78.28688	0.5
78.88680	0.5
81.03529	0.7
83.01408	9.2
85.02966	25.3
85.03458	1.0
87.00896	3.0
89.02449	13.0
93.03468	0.7
95.01386	4.9
96.96033	0.6
97.02962	2.0
99.00892	5.4
101.02451	39.9
108.02193	2.2
109.02984	1.4
111.00890	4.4
113.02469	20.5
116.92868	4.5
119.03526	6.1
121.02892	0.7
123.00890	1.1
123.04522	4.7
124.01698	1.0
125.02465	3.5
131.03493	0.7
136.01723	0.8
137.02431	2.2
139.04022	1.1
141.01958	1.0
143.03554	1.0
151.00389	4.1
151.03915	0.7
152.01192	5.1
153.01970	0.8
153.05710	0.6
159.02977	2.7
161.04576	7.1
163.04028	0.7
166.02724	10.0
167.03529	13.1
175.04019	0.9
179.05580	1.1
181.05113	6.8
185.15450	0.8
187.04050	0.9
191.03688	0.6
191.05659	1.0
197.04562	0.9
205.05115	2.1
221.08234	0.6
296.05515	2.4
299.25989	0.7
311.07776	20.1
341.08762	1.4
345.30203	7.0
357.13507	0.9
372.12335	1.3
373.13333	0.6
387.14609	3.0
393.31180	0.6
403.14032	2.6
417.15656	2.7
507.35464	19.2
557.05273	0.7
669.40851	100.0
670.41046	1.3
729.24365	4.5
729.37518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21301	0.9
59.35242	1.0
69.91467	1.0
70.45419	1.3
77.98265	1.2
117.03462	30.6
119.05029	27.0
145.02968	100.0
145.77803	1.2
163.04025	12.8
171.10356	1.7
274.40280	1.2
287.22385	2.0
313.23795	5.9
514.28925	1.7
573.21643	1.4
672.04877	1.4
729.49640	35.0
730.49713	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	729.4
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61674	0.8
69.85544	0.9
78.63499	0.9
80.91708	7.3
80.92161	0.9
82.58509	0.9
92.10116	3.0
98.70553	1.1
108.00697	0.9
117.03439	1.1
119.05022	1.1
133.02953	16.0
134.02710	1.8
134.03735	42.0
135.04517	1.9
137.02420	8.7
139.04022	2.4
147.04532	11.1
148.05313	4.8
149.06062	9.5
160.01665	4.3
161.02391	8.3
162.06905	1.5
175.04019	3.9
178.02719	24.4
188.00945	3.8
193.05086	33.5
200.00912	19.5
201.01582	1.3
215.03403	2.0
274.67444	1.1
453.33749	1.5
587.37482	11.8
647.39569	1.7
654.35461	7.5
669.37854	100.0
670.37439	3.1
729.39099	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	729.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01051	66.1
55.69731	63.3
55.84784	56.1
56.19307	60.4
81.28065	80.8
94.72831	74.9
94.82276	80.8
102.33035	77.5
180.91321	76.8
201.39853	85.4
317.89749	75.5
378.05627	75.9
379.31781	90.7
641.75995	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	729.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.3
57.03451	3.1
58.00602	0.9
59.01384	34.0
61.98831	5.6
67.35497	0.5
67.88646	0.4
69.03477	0.9
71.01381	40.4
72.99320	1.2
73.02938	13.5
73.63357	0.5
75.00864	0.6
81.35261	0.5
83.01394	7.5
83.42162	0.5
85.02953	21.1
86.00113	0.9
86.56693	0.4
87.00862	2.4
87.06264	0.5
88.98822	0.4
89.02444	19.3
91.63714	0.5
95.01376	3.7
95.03593	0.4
97.02939	1.2
99.00870	5.5
101.02439	35.7
110.63368	0.5
111.00886	3.2
113.02452	17.4
116.92839	2.2
118.81334	0.5
119.03517	6.2
119.92937	0.6
123.08477	0.5
125.02437	2.6
129.01945	0.6
131.03462	0.5
135.04567	0.8
141.01953	0.9
143.03490	2.6
145.02968	0.5
149.34520	0.5
154.87697	0.6
159.02979	2.7
161.02451	0.5
161.04565	7.0
179.05600	1.2
179.34538	0.5
189.77527	0.5
191.05705	0.8
192.96918	0.5
202.19798	0.5
209.12006	0.6
209.19228	0.6
246.75174	0.5
299.25842	0.8
310.81921	0.6
345.30212	6.9
371.74210	0.5
380.03854	0.5
448.45456	0.5
507.35480	20.9
529.53998	0.5
669.40808	100.0
670.41412	1.0
729.32513	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	729.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75002	1.5
63.35020	1.6
68.39504	1.8
70.51041	1.5
80.91711	7.7
92.10035	3.4
115.56459	1.8
117.03430	6.8
123.83961	1.7
130.60371	1.5
134.03746	100.0
149.06084	8.1
160.01572	2.0
161.02486	2.0
175.04051	2.6
178.02725	10.4
193.05086	81.2
199.47691	1.9
239.78432	1.7
253.53404	1.9
330.05029	1.9
343.20465	2.0
343.82904	1.9
453.33795	44.4
535.33600	2.2
603.48944	2.2
647.39655	51.4
669.38184	9.4
729.39948	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	30.8
61.98836	22.2
65.85763	1.4
65.91849	1.5
66.69460	1.7
69.10232	1.6
71.01376	26.8
72.99331	2.5
73.02940	6.9
75.25399	1.6
83.01411	4.2
84.74399	1.5
85.02950	9.5
87.00885	1.8
88.98821	9.3
89.02462	20.6
93.03453	64.5
93.04005	2.7
99.00880	9.5
101.02443	19.4
105.22176	1.7
113.02455	9.9
116.92861	2.4
119.03522	2.9
125.02460	2.4
136.01692	2.4
137.02457	100.0
143.02177	1.7
161.04570	2.2
179.03462	9.6
191.05632	9.5
239.05602	2.2
255.34193	1.8
257.12979	1.9
281.06732	2.4
341.09033	3.6
532.66187	2.2
669.41229	15.6
694.68237	1.9
729.30591	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78012	0.8
53.89734	0.9
54.77895	0.8
55.01886	2.1
57.03472	3.8
58.00630	1.0
58.68994	0.9
59.01392	41.3
61.98843	5.1
63.17772	0.8
69.03477	3.6
71.01389	34.7
72.99315	2.3
73.02950	9.8
75.00861	1.2
79.43475	1.0
81.03475	1.4
83.01415	3.9
85.02961	16.5
86.00128	0.9
87.00882	68.6
89.01671	0.9
89.02449	29.1
93.03480	1.9
95.01388	5.2
96.95995	2.2
97.02953	4.4
97.06615	3.7
99.00880	7.9
101.02448	30.6
111.00903	4.8
113.02458	17.7
115.00310	1.2
119.03512	9.7
121.02973	1.4
123.08140	9.1
125.02460	6.0
131.03525	2.1
135.04517	4.2
137.02507	1.5
141.01944	5.7
143.03517	4.3
161.02510	1.2
161.04597	7.0
173.04459	1.5
179.05582	2.1
191.05620	8.8
221.06749	1.1
233.06804	1.1
245.06677	1.2
269.19180	1.9
287.20157	9.5
293.08939	1.4
297.39639	1.0
315.19980	1.2
321.08304	5.6
329.21173	1.3
344.19940	6.1
345.20761	26.2
347.22305	7.5
357.20712	1.2
371.22061	1.4
399.21851	3.6
417.22940	7.4
507.25604	4.1
669.31281	100.0
670.32550	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	729.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.6
57.03452	4.0
58.00599	0.5
59.01386	36.1
61.98834	7.0
66.79250	0.3
68.99826	0.5
69.03446	0.8
71.01381	40.9
72.99295	2.5
73.02942	12.9
75.00863	0.6
78.06010	0.3
80.44708	0.4
81.03465	0.6
83.01387	8.1
85.02953	21.0
86.00122	1.5
87.00870	2.3
88.98794	0.7
89.02441	16.6
95.01368	5.3
96.96004	0.4
97.02949	2.0
99.00894	6.1
101.02442	36.1
107.01351	0.6
108.02142	0.9
109.02982	0.8
111.00890	4.6
113.02459	16.9
116.92850	3.6
119.03512	5.2
121.02962	0.6
123.00848	0.6
123.04509	2.6
125.02448	3.3
129.01935	0.7
131.03491	0.6
133.54845	0.4
137.02466	1.5
138.65759	0.5
139.00452	0.5
139.04044	0.5
141.01930	0.6
143.03481	1.6
147.95383	0.4
151.00362	3.1
152.01237	3.0
155.10904	0.6
159.02983	2.7
161.02380	0.6
161.04581	7.4
163.03999	0.5
166.02690	5.0
167.03542	5.8
170.54745	0.4
173.04482	0.6
177.02023	0.4
179.05658	1.8
181.03658	0.5
181.05063	3.7
185.15369	0.8
191.05618	1.5
197.04549	0.7
206.05841	0.8
221.08286	0.6
268.56601	0.4
293.15057	0.5
294.67355	0.5
299.25946	1.0
311.07819	13.5
341.08859	1.8
345.30063	4.9
372.12219	1.6
387.10541	0.6
387.14725	2.1
402.21860	0.6
403.14078	2.4
417.15588	1.8
507.35394	17.2
549.00983	0.5
669.40826	100.0
729.23389	3.0
729.37329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	30.8
61.98836	22.2
65.85763	1.4
65.91849	1.5
66.69460	1.7
69.10232	1.6
71.01376	26.8
72.99331	2.5
73.02940	6.9
75.25399	1.6
83.01411	4.2
84.74399	1.5
85.02950	9.5
87.00885	1.8
88.98821	9.3
89.02462	20.6
93.03453	64.5
93.04005	2.7
99.00880	9.5
101.02443	19.4
105.22176	1.7
113.02455	9.9
116.92861	2.4
119.03522	2.9
125.02460	2.4
136.01692	2.4
137.02457	100.0
143.02177	1.7
161.04570	2.2
179.03462	9.6
191.05632	9.5
239.05602	2.2
255.34193	1.8
257.12979	1.9
281.06732	2.4
341.09033	3.6
532.66187	2.2
669.41229	15.6
694.68237	1.9
729.30591	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
59.01385	1.9
60.01718	0.2
61.98834	100.0
67.17075	0.1
71.01392	1.8
72.01715	0.1
72.99314	0.2
73.02957	0.6
80.92760	0.1
83.01384	0.1
85.02961	0.6
87.28786	0.1
89.02436	1.1
92.10067	0.2
93.03448	0.6
99.00879	0.3
101.02432	1.2
102.02792	0.2
103.02945	0.2
110.81409	0.1
113.02460	0.7
115.04010	0.1
120.83808	0.1
125.02486	0.2
149.06146	0.2
191.05602	0.3
220.50844	0.1
258.46655	0.1
272.78073	0.1
325.77072	0.2
331.62103	0.2
362.78928	0.1
372.22955	0.1
373.22925	0.2
475.78149	0.1
606.28278	0.1
666.32129	0.5
667.32764	2.1
668.32910	3.6
728.31079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.6
60.45459	0.2
61.98835	100.0
69.72534	0.2
71.01382	2.3
73.02951	1.1
85.02965	1.0
89.02440	1.1
97.76498	0.2
99.00870	0.3
101.02445	1.6
113.02465	0.9
114.84353	0.3
117.03487	0.6
119.05028	0.6
123.23946	0.3
131.03479	0.3
132.02046	0.3
145.03000	2.3
146.03328	0.5
161.04604	0.4
163.04080	0.5
175.04044	0.3
191.05615	0.5
205.02357	0.3
307.08273	0.6
645.90759	0.3
654.88629	0.3
667.33081	1.3
668.33002	3.7
698.25665	0.4
728.31830	1.3
745.24103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42948	0.8
59.01397	0.6
63.71786	0.5
69.25420	0.6
71.01405	0.8
85.02959	4.7
87.00867	4.6
92.10859	1.2
93.03494	3.5
111.04531	0.8
127.03997	0.9
133.02977	7.0
134.03734	8.7
135.04530	45.1
136.04858	0.9
137.02528	1.1
147.04599	0.7
149.21906	0.7
157.05054	3.2
161.02477	23.0
170.97475	0.7
173.04494	2.7
179.02333	0.6
179.03514	37.0
189.01691	9.0
191.05634	38.6
201.01723	26.2
214.96935	1.2
257.74893	0.7
260.11942	0.6
306.17523	0.7
332.95786	0.7
375.07031	100.0
376.07599	1.4
415.64563	0.8
425.96124	0.7
517.85291	0.8
567.13409	2.9
591.97577	0.7
729.15979	1.5
750.51880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18518	1.0
53.20038	1.2
59.01393	34.9
92.10164	3.0
99.75323	1.6
101.02449	1.3
150.86320	1.3
169.40892	1.5
171.10280	100.0
253.09306	6.1
271.22842	23.0
277.21744	53.8
293.60559	1.7
407.19620	2.4
450.13016	1.9
455.35468	25.5
727.53754	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	727.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57799	3.0
59.01393	40.6
61.33974	2.8
61.98851	4.8
66.11407	4.0
72.72649	3.6
87.00884	4.2
99.34791	3.7
106.82347	3.6
151.11356	4.8
162.45241	3.7
169.12360	33.8
171.10283	100.0
181.70042	3.6
213.11249	4.7
253.09207	4.1
275.91235	3.8
277.21860	29.9
294.08801	3.8
385.55096	4.0
416.99127	3.9
464.68222	4.0
724.13409	4.3
727.42834	82.0
743.65955	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	727.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.6
61.19883	0.7
62.61298	0.6
66.36696	0.7
66.51326	0.7
71.01382	1.6
72.42069	0.8
75.76598	0.8
78.17416	0.7
89.02435	1.3
127.11317	1.1
165.99895	0.9
171.10277	72.4
182.73183	0.8
220.92526	0.8
235.08218	1.4
253.09418	5.7
277.21747	100.0
278.22177	0.8
280.24014	0.9
513.30750	1.2
678.40741	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	728.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03450	0.4
57.90691	0.3
58.50983	0.4
59.01392	7.7
61.98839	100.0
68.14606	0.4
69.16303	0.3
71.01395	6.6
72.99308	0.4
73.02957	2.9
83.01404	1.7
84.01654	0.4
85.02956	4.3
87.00888	0.7
89.02444	3.9
93.03465	0.9
93.31939	0.4
98.84914	0.4
99.00893	2.2
101.02454	6.3
102.02827	0.5
113.02459	2.4
115.85052	0.4
125.02441	0.7
135.04518	0.7
137.02477	0.4
152.01195	0.5
166.02696	0.8
191.05623	1.6
228.24753	0.5
311.07693	1.6
345.10635	0.4
372.22662	0.5
572.16638	0.4
667.32373	2.4
668.32861	8.2
727.40704	0.9
728.33282	0.7
728.41254	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	727.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51128	1.1
54.82598	1.5
55.01892	7.3
56.03279	1.1
56.70414	1.1
57.03461	2.7
59.01387	51.2
60.99327	1.9
61.98838	26.0
65.43438	1.3
67.24517	1.2
68.47514	1.3
69.03484	1.4
71.01379	54.8
72.99308	1.6
73.02942	16.7
80.74017	1.2
83.01401	12.2
85.02956	23.6
87.00873	11.6
88.98794	22.1
89.02444	27.2
95.01411	5.3
97.02988	2.0
99.00894	7.8
100.42456	1.5
101.02436	47.7
111.00877	1.9
113.02450	25.2
119.03429	9.7
125.02443	6.0
135.04648	1.4
141.06844	1.2
143.03445	1.5
157.06577	1.6
157.12341	2.6
161.04562	9.8
164.72151	1.3
176.07974	1.9
179.05736	2.1
191.05727	1.6
201.11343	2.1
209.11845	16.3
505.33939	17.6
667.39337	100.0
668.39667	2.6
708.12280	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	727.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89615	2.4
57.02570	2.7
57.03484	3.7
59.01381	41.5
64.45586	3.5
64.86219	2.8
71.01387	30.4
71.96929	3.2
73.02969	3.8
83.01374	3.5
85.02971	5.5
86.39678	2.6
86.99712	2.9
87.00874	3.3
88.83418	3.3
89.02432	32.2
92.65076	2.9
92.68732	2.8
101.02425	26.1
113.02451	12.5
116.92879	2.8
119.03498	4.2
125.02435	6.7
143.03505	4.0
161.04596	4.5
269.24887	100.0
277.21780	3.5
397.13605	95.8
415.14554	22.2
421.58511	3.1
473.22983	3.7
476.65845	2.9
522.54681	3.0
542.36896	3.8
667.40118	4.9
685.07263	3.5
711.80371	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	727.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	4.1
57.03471	2.1
58.00614	1.6
59.01385	100.0
59.85065	0.8
60.99311	1.5
61.98832	17.5
69.03461	7.1
71.01382	71.6
72.99335	5.6
73.02950	11.4
75.00900	0.9
78.04701	0.8
81.03467	2.0
83.01391	6.3
85.02953	23.9
85.03450	1.0
87.00869	14.9
88.98803	9.8
89.02443	63.7
93.03484	4.0
95.01419	4.9
95.05017	3.0
96.95995	1.1
97.02940	8.7
97.06552	6.3
97.73121	0.8
99.00903	5.5
101.02443	49.6
109.02981	1.8
111.00880	1.2
113.02448	30.2
116.92867	3.4
119.03495	27.9
119.04970	0.8
123.08158	10.5
125.02448	23.8
128.74278	0.9
131.03487	5.9
132.67955	1.0
133.03023	1.1
134.92017	0.8
135.04538	3.4
137.02446	6.5
139.04034	1.0
142.31760	0.8
143.03493	7.0
145.02971	3.6
149.04593	1.6
159.02869	1.0
161.02458	3.2
161.04564	11.5
163.04111	1.0
173.04601	1.0
179.03656	1.2
179.03940	1.3
179.05612	15.3
191.05687	3.8
221.06636	12.6
224.27591	1.0
245.06664	1.2
263.07730	6.5
269.19113	1.5
287.20197	11.5
315.19629	2.0
323.09897	74.4
343.19238	5.2
345.20715	1.3
361.20261	5.2
373.20074	2.0
385.20102	7.2
399.21652	3.4
415.21271	2.0
505.24728	1.2
667.30078	24.2
727.19611	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	727.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53561	0.2
54.72954	0.2
55.01886	3.2
57.03454	2.1
57.34699	0.2
58.00592	0.3
58.34330	0.3
59.01386	30.5
60.14726	0.3
61.98842	0.2
67.01843	0.3
69.03454	1.3
71.01383	34.2
72.99313	1.3
73.02946	14.9
75.00892	1.1
81.03449	0.5
81.07121	0.3
83.01395	5.1
84.02196	0.3
85.02953	15.7
86.00100	0.5
87.00874	1.7
89.02443	25.3
95.01391	2.6
97.02957	2.9
99.00881	11.5
99.04527	0.4
101.02444	29.7
111.00881	0.3
113.02458	13.7
115.04002	2.3
119.03500	3.5
124.66901	0.3
125.02437	3.9
127.03941	0.3
129.01904	0.4
129.93916	0.2
131.03497	3.5
141.01878	0.3
143.03474	1.5
149.04550	4.7
156.79320	0.3
159.02983	1.5
161.04567	4.5
191.05641	3.4
193.05264	0.3
233.06674	1.7
245.47012	0.3
251.07755	0.3
293.08743	0.6
309.22321	0.4
311.09763	0.3
311.23843	0.5
314.31134	0.3
329.24933	0.3
341.53644	0.3
345.24213	0.4
355.22934	0.3
373.23907	21.6
374.24130	0.3
443.24609	0.3
535.29108	6.5
667.33521	100.0
668.33856	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	727.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41447	0.3
59.01397	2.5
61.98836	0.6
69.26220	0.4
71.01395	0.9
73.02960	2.3
74.49693	0.4
89.02468	0.7
99.00869	1.0
99.92593	7.0
116.92865	100.0
116.97243	5.9
117.01952	4.1
117.92859	0.7
159.72029	0.4
191.05727	0.7
192.34264	0.4
217.49548	0.5
226.53242	0.4
350.80493	0.5
397.20480	0.5
652.89465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82798	0.3
59.01401	1.1
60.77641	0.2
71.01393	0.6
72.98393	0.3
73.49704	0.3
81.68966	0.3
89.02437	0.4
89.06152	0.3
95.27293	0.3
99.92579	8.2
103.41134	0.3
116.92860	100.0
117.92866	0.8
151.00374	1.7
166.47437	0.3
178.99817	0.4
191.05542	0.5
243.03108	0.4
255.03099	2.9
257.04758	0.3
271.02527	6.9
272.03461	0.4
300.02759	12.0
301.03635	4.2
366.07187	0.3
401.06461	0.3
607.41241	0.4
609.14636	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	727.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.4
57.03461	5.0
59.01390	34.9
67.01897	2.6
69.03468	10.7
71.01389	17.5
72.99331	1.9
73.02948	12.0
79.01923	0.9
81.03472	5.2
83.01406	5.5
83.05045	1.9
85.02962	77.6
87.00882	100.0
92.10762	2.0
93.03481	7.7
95.01395	22.3
96.96038	2.1
97.02956	34.2
98.06773	0.9
99.00850	1.4
99.04517	2.3
101.02459	2.4
102.41466	0.9
103.04015	7.9
106.00342	1.1
109.02983	12.3
111.00872	8.7
111.04516	1.6
113.02467	19.7
115.00377	13.1
121.02959	1.6
125.02449	1.2
127.04028	12.5
129.01945	4.4
133.02971	4.1
135.04523	5.8
137.02438	2.2
139.00398	10.9
139.04008	1.6
143.99345	1.0
145.05086	6.0
153.01891	1.1
155.03452	1.4
157.01421	8.6
171.03024	1.5
173.04588	3.9
175.02498	34.6
179.03477	4.2
186.25241	1.1
191.05666	13.6
199.02516	20.2
201.01749	4.0
217.03600	13.2
250.17368	1.0
285.06158	1.2
301.05743	1.2
303.07275	10.3
321.08331	4.0
345.08261	6.1
375.07108	9.8
387.09454	11.3
405.10477	2.1
528.15070	1.0
563.12543	2.0
581.14575	1.7
623.14709	2.4
685.19165	1.4
709.18140	14.4
727.19489	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	725.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	11.9
60.99342	1.5
66.11992	0.8
75.58492	1.0
88.98837	2.2
93.03489	1.1
109.51143	1.1
119.50281	1.0
130.19269	0.9
134.03770	8.4
135.04533	0.9
136.01677	47.8
151.04019	100.0
189.48584	0.9
193.04887	1.0
201.73415	0.9
211.06163	36.7
251.74463	1.0
373.15753	1.1
443.22726	1.1
447.99802	1.2
453.33795	23.2
665.30103	1.9
665.40710	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18427	0.1
59.01386	2.1
60.01666	0.1
61.98836	100.0
69.50720	0.1
71.01384	1.8
71.12990	0.1
73.02953	0.3
85.02978	0.3
89.02456	1.7
90.02785	0.1
92.10881	0.3
97.02982	0.2
99.00893	0.6
99.15225	0.1
101.02457	1.0
113.02472	0.6
119.03505	0.2
131.03517	0.2
135.04480	0.2
149.04492	0.2
153.74849	0.1
157.25107	0.2
198.61369	0.2
370.21082	0.3
455.56641	0.2
475.95819	0.2
665.30615	1.9
666.31470	2.9
696.81964	0.2
726.29626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71094	2.0
53.07723	2.1
59.01389	58.0
69.30113	1.8
71.01379	27.7
73.02966	3.4
73.49638	2.3
83.01404	2.3
85.02978	8.8
89.02444	24.6
97.02966	3.2
101.02429	24.6
111.72807	2.3
113.02457	10.1
114.00430	2.4
116.92867	3.7
119.03519	3.0
125.02444	3.6
139.44934	2.3
161.04570	4.5
161.15590	2.2
235.08304	5.4
242.57909	2.6
267.23346	100.0
287.07840	2.8
378.54691	2.3
397.13586	71.9
415.14728	23.9
428.46231	2.7
665.38202	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	725.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28073	0.2
54.82517	0.2
55.01889	3.3
55.66686	0.2
57.03467	1.9
58.00597	0.8
59.01389	28.3
62.73052	0.2
65.81966	0.2
69.03452	1.5
69.48275	0.2
69.84645	0.2
71.01385	31.2
71.46902	0.2
72.99319	1.2
73.02950	12.3
73.03359	0.4
75.00899	0.9
81.03468	0.3
82.70361	0.2
83.01391	5.2
83.05022	0.2
85.02957	13.8
87.00871	2.0
89.02446	21.3
93.03458	6.9
95.01383	2.4
95.05020	1.8
97.02945	2.6
99.00883	10.2
99.04547	0.4
99.95185	0.2
100.35491	0.2
101.02448	26.3
108.02199	0.3
109.26405	0.2
111.00918	0.3
113.02459	11.7
113.03237	0.4
115.04017	1.8
116.92847	0.4
117.03437	0.8
119.03516	3.0
119.05032	0.4
121.02950	5.0
121.06586	1.3
123.04500	1.9
125.02448	2.8
129.01959	0.4
131.03516	2.8
137.06110	0.3
139.03998	0.3
143.03520	1.6
145.02979	2.7
146.03296	0.4
149.04564	3.8
149.06085	4.2
159.02980	1.0
161.04568	3.9
163.04005	0.4
191.05664	2.6
215.05896	0.2
219.13885	0.3
221.15367	0.7
233.06738	2.0
247.16978	1.2
249.18687	2.0
251.07608	0.3
293.08823	0.5
309.22400	0.4
316.23087	0.3
323.12869	0.3
325.22006	0.2
327.23489	0.9
353.21234	2.6
371.22360	19.5
515.26422	0.4
533.27594	4.8
654.24249	0.2
665.31982	100.0
666.32288	1.9
725.25336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.5
57.03466	2.8
58.00598	0.5
58.53590	0.5
59.01391	32.9
62.82297	0.4
68.13810	0.4
68.89264	0.5
69.03486	0.8
71.01392	34.9
72.99308	1.0
73.02954	14.5
75.00896	0.7
81.03435	0.9
83.01404	6.8
85.02965	17.2
85.03467	0.9
86.33730	0.6
87.00893	2.5
89.02452	24.8
92.10725	1.1
95.01401	2.7
97.02970	2.0
99.00880	12.9
101.02448	30.3
105.39296	0.5
108.02141	0.6
109.02955	0.6
111.00884	0.6
113.02454	11.5
115.03999	0.8
119.03487	2.8
125.02467	3.1
131.03535	4.3
132.42737	0.6
143.03542	0.8
149.04523	4.3
159.02924	0.7
161.04567	4.8
191.05614	3.1
233.06636	2.8
325.21744	1.3
371.22311	19.8
533.28015	6.3
550.70715	0.7
647.30927	1.0
665.31891	100.0
666.32098	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	725.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.2
57.03451	3.4
58.00592	0.6
59.01389	37.9
68.75381	0.4
69.03498	1.9
71.01391	43.1
72.99320	1.8
73.02956	15.2
75.00887	0.9
83.01400	6.8
85.02968	17.2
85.03465	0.8
87.00871	3.1
89.02455	27.6
95.01422	3.1
97.02959	3.7
99.00882	9.2
99.04551	0.7
101.02450	36.1
109.03045	0.4
111.00919	0.5
113.02459	17.4
113.03603	0.5
115.04025	1.8
119.03489	5.0
125.02451	10.4
129.01978	0.7
131.03490	3.3
135.04539	2.0
137.09718	0.4
143.03506	2.5
149.04597	1.0
159.02983	2.7
161.02518	0.5
161.04552	11.4
162.69199	0.4
173.04517	0.5
179.03517	0.8
179.05661	0.8
190.99893	2.7
191.05637	4.6
206.02109	3.0
209.15521	6.1
221.04559	2.4
221.06618	1.3
233.06711	2.1
371.20773	8.8
376.25262	0.5
454.68051	0.5
485.23718	0.6
503.25183	14.9
533.26031	4.2
559.80194	0.5
665.30420	100.0
666.30310	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	725.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.7
56.91427	0.4
57.03452	2.7
58.00611	0.7
59.01389	26.6
61.98840	0.3
69.03470	1.8
71.01385	34.9
72.99324	1.5
73.02950	13.4
73.66006	0.4
74.48678	0.3
75.00872	0.8
81.03448	0.5
83.01393	6.4
85.02961	16.8
87.00871	3.2
89.02449	18.7
93.03458	12.0
95.01385	2.5
95.05032	3.7
96.96023	2.1
97.02956	3.3
98.95591	0.6
99.00889	10.2
101.02448	34.9
111.00901	1.6
113.02462	14.4
115.03996	2.6
116.88319	0.3
119.03503	1.6
121.02960	8.0
123.04549	1.5
125.02441	4.6
131.03520	2.6
133.03014	0.3
136.50191	0.3
139.04021	0.7
141.01875	0.4
143.03508	1.5
149.04564	1.8
149.06093	3.4
151.04057	0.4
159.02986	2.2
160.01678	0.6
161.04544	4.8
175.03995	0.7
175.06041	0.4
177.01964	5.0
191.05658	2.1
196.84956	0.3
212.53819	0.4
219.13962	0.4
221.15567	0.5
233.06656	2.7
245.15504	0.7
247.17039	1.3
249.18642	2.5
327.23419	2.0
337.09229	0.4
353.21313	1.6
371.22360	23.7
372.22995	0.4
514.51581	0.4
533.27606	6.4
665.31964	100.0
666.32153	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	723.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
67.95368	12.9
71.01389	49.5
71.75830	14.1
79.72119	11.4
85.02951	18.9
97.63173	12.5
101.02480	21.9
113.02448	17.1
160.08733	12.8
161.04512	16.5
167.22194	13.3
177.96849	11.6
234.45560	11.9
239.35779	12.4
335.59991	13.2
511.04092	14.1
677.35449	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86212	0.4
55.01900	0.5
59.01388	5.8
62.64543	0.4
64.32483	0.4
67.24872	0.4
71.01385	3.3
71.05644	0.4
73.02983	0.6
80.02695	0.6
83.01429	0.5
83.05035	2.9
85.02962	0.5
87.00890	0.6
89.02456	3.1
92.10741	0.9
101.02445	3.3
113.02484	1.8
139.30045	0.5
161.04550	0.9
163.11299	2.8
165.12849	2.8
202.68047	0.4
202.91316	0.4
209.11861	66.1
218.02463	0.5
221.28024	0.6
227.12895	6.3
235.08253	3.9
253.09262	6.0
258.56998	0.5
277.21759	100.0
278.21982	1.0
734.87036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83200	0.5
58.11816	0.5
59.01387	4.3
59.31571	0.5
61.98857	0.6
71.01389	2.7
74.25623	0.5
80.02708	1.1
81.03461	1.3
83.01415	0.6
83.05022	5.1
84.02168	0.6
89.02454	2.8
92.10851	1.3
92.18279	0.6
95.04993	0.8
101.02447	2.8
101.93649	0.6
113.02477	0.9
114.85589	0.6
163.11310	6.3
163.27788	0.6
165.12810	3.3
191.10873	0.7
209.11865	100.0
223.16504	0.7
227.12880	8.3
235.08141	0.9
253.09270	6.3
277.21744	49.5
278.22040	1.4
668.18634	0.7
712.05359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05442	0.4
59.01381	2.8
63.48549	0.4
71.01396	2.0
81.03452	4.2
83.05030	17.7
85.02950	0.6
89.02447	0.9
93.03457	1.8
96.96005	2.6
99.00896	0.5
100.25590	0.4
104.66349	0.4
105.84819	0.4
133.03006	0.6
134.53319	0.5
135.04521	0.9
151.04027	0.6
151.21664	0.4
153.62518	0.4
160.01593	0.7
161.02408	0.9
163.04062	0.5
164.61748	0.4
173.04576	0.6
191.05656	5.2
193.05086	0.9
195.06635	0.6
207.15051	1.8
224.17715	3.4
225.16103	12.4
242.18684	1.0
341.29257	1.1
367.27173	1.0
451.33041	7.8
461.97443	0.5
555.19537	0.5
659.48792	2.4
677.49847	100.0
678.50336	2.6
723.50604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05474	0.2
55.01889	3.0
57.03455	2.0
58.00610	1.3
59.01390	45.2
65.27918	0.2
67.01862	0.3
67.44884	0.2
69.03464	0.6
71.01387	37.1
71.10722	0.3
71.27686	0.2
72.64352	0.2
72.99325	1.9
73.02950	14.3
75.00876	1.3
79.57574	0.2
81.03471	0.5
83.01395	4.1
83.05051	0.3
85.02963	12.6
87.00872	2.5
89.02448	40.9
93.03465	1.1
95.01411	2.2
95.01971	0.3
96.96024	0.5
97.02968	2.3
99.00885	17.3
99.04507	0.3
101.02450	28.3
109.02971	0.5
111.00890	1.3
113.02457	11.2
115.04043	1.9
117.07128	0.3
119.03500	5.6
121.02966	0.4
123.04519	0.5
125.02475	3.7
125.06121	0.3
127.03995	0.3
131.03529	4.4
135.04581	0.4
143.03526	1.3
147.08220	0.3
149.04576	8.0
159.03040	0.3
160.05336	1.6
161.04599	2.9
161.06096	5.7
173.04544	0.4
175.07675	6.5
179.05620	1.1
191.05656	7.5
192.04356	0.5
221.06778	0.5
233.06786	1.2
238.78369	0.3
246.19620	0.3
251.07756	0.5
293.08850	1.1
311.09900	0.4
323.20160	1.3
325.21634	0.4
333.18890	0.4
336.17358	0.4
345.71051	0.3
351.19754	3.5
358.81003	0.3
369.16299	0.6
369.20764	12.1
513.24750	1.2
531.26154	10.1
531.34021	0.5
645.28857	2.6
663.30426	100.0
664.30627	1.4
681.57159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	3.7
56.00340	0.4
57.03461	2.6
57.06575	0.6
58.00620	0.6
59.01388	28.0
65.24128	0.5
69.03439	0.8
69.06316	0.5
71.01384	32.1
72.99310	1.3
73.02946	14.8
73.03306	0.9
82.95419	5.7
83.01382	6.4
84.95114	0.8
85.02956	15.6
87.00878	3.6
89.02449	19.7
93.03471	0.8
95.01413	3.2
96.96046	2.4
97.02937	2.4
99.00884	9.2
101.02443	26.2
109.02957	0.9
111.00911	0.6
113.02455	10.6
115.04010	1.4
115.33734	0.5
116.92899	2.2
117.07121	0.7
119.03534	1.2
125.02444	4.3
127.04079	0.6
131.03497	2.6
131.08615	0.7
143.03516	1.3
149.04555	1.4
159.02989	0.8
160.01735	0.7
160.05328	1.1
161.04568	2.8
161.06096	11.3
163.55910	0.6
163.65169	0.7
173.04553	0.6
175.07686	8.4
191.05627	3.3
201.11336	1.2
209.11874	5.4
233.06734	1.1
239.89890	0.6
323.20239	0.7
325.21991	0.7
351.19730	6.7
369.20773	23.2
393.07446	0.7
487.67856	0.7
494.67166	0.7
498.22495	0.8
513.24908	5.8
531.26019	12.6
645.29468	1.3
663.30322	100.0
664.30774	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	723.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.00850	0.8
58.00599	3.6
59.01386	81.0
64.54899	1.1
69.03441	0.8
69.89539	1.1
71.01382	53.2
72.99303	2.2
73.02939	8.5
78.91897	18.7
83.01390	1.2
85.02953	12.0
87.00880	5.1
89.02443	100.0
92.10097	2.2
93.03457	5.8
95.01425	2.1
95.90749	0.9
99.00877	16.4
101.02448	37.6
101.03103	1.9
103.58305	0.9
105.03474	1.8
113.02457	28.6
115.04001	1.1
119.03490	37.6
125.02451	3.9
131.03503	5.8
133.02979	21.1
134.03743	5.5
135.04530	6.1
137.02428	5.3
143.03467	7.6
149.04576	5.5
161.02521	1.7
161.04552	10.5
165.05515	1.0
173.04594	4.1
177.01985	6.3
178.02763	9.3
179.03419	2.2
179.03780	2.8
179.05617	79.0
191.05667	13.3
193.05038	7.0
193.06882	1.2
223.06212	1.3
251.07759	1.1
281.08936	1.9
293.08600	1.1
308.09384	1.1
311.09909	30.5
353.06885	2.0
353.10983	46.9
369.09695	11.1
383.12244	9.7
413.13107	23.6
537.57727	1.0
723.21027	7.2
749.13019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46970	1.2
53.67300	1.3
54.65162	1.4
59.01390	89.0
59.45903	1.7
59.46193	1.6
61.98855	2.8
71.01388	60.9
72.99321	3.0
73.02946	17.1
83.01433	1.9
85.02961	12.0
87.00918	6.4
89.02448	100.0
90.41399	1.4
92.10847	3.1
93.03490	8.4
95.01377	2.1
95.54023	1.7
99.00893	23.0
101.02440	43.1
113.02451	18.2
119.03506	19.2
119.43385	1.8
119.50375	1.8
125.02466	9.7
131.03499	12.8
133.02971	11.5
134.03802	2.9
135.04539	6.8
136.01695	2.4
137.02446	2.4
143.03519	3.9
149.04575	21.8
150.47020	1.7
151.03967	2.3
161.02469	6.6
161.04588	7.3
165.05473	1.8
173.04620	2.6
176.01118	3.3
179.03368	1.7
179.05634	56.4
191.03793	2.7
191.05612	26.9
193.05106	2.6
217.00278	3.2
221.06691	9.8
251.07803	2.5
255.74135	2.1
275.07785	4.2
293.08795	6.9
311.09729	12.4
353.10886	19.4
413.13068	8.4
440.48709	2.0
461.48450	2.1
559.20428	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	721.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27011	2.2
56.93451	2.2
59.01385	22.8
60.12775	2.3
61.23329	2.1
61.63644	2.3
71.01411	4.6
76.57446	2.8
89.02448	3.6
105.71896	2.3
109.06578	5.7
124.72208	2.8
142.09254	2.8
161.75050	2.9
163.11264	13.8
185.26717	2.7
207.10316	30.8
213.25844	2.6
225.11357	100.0
253.09311	5.7
277.21765	40.8
310.72192	2.7
332.03870	3.2
350.24713	2.7
443.19122	3.2
461.20383	19.5
721.41626	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	723.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36477	0.6
54.83088	0.6
57.03458	0.9
58.19764	0.6
59.01384	11.0
60.99321	1.0
67.01900	8.2
69.03467	4.2
71.01383	10.3
73.02953	2.7
81.03459	1.4
83.05014	1.0
85.02958	14.2
87.00876	13.9
89.02446	9.6
90.21498	0.8
93.03456	56.4
99.00879	4.1
99.04507	0.8
101.02448	3.5
105.03476	1.0
109.02979	3.6
111.04531	9.8
113.02452	3.1
119.05015	0.8
121.02982	1.1
123.04533	0.8
125.02464	5.1
127.04017	3.9
129.01917	1.2
131.03497	1.3
132.02193	11.8
133.02022	1.3
133.02965	20.0
134.03728	3.9
135.04520	20.2
137.02461	4.0
143.03497	0.8
145.02977	0.8
149.04555	3.4
150.03204	1.4
155.03526	3.9
160.01675	25.9
161.02452	8.0
169.08261	0.7
171.02997	0.7
173.04564	20.5
173.06039	1.4
175.04019	1.4
177.01926	7.9
178.02682	3.5
179.03497	10.9
185.02434	1.8
191.05638	100.0
192.04337	1.1
193.05067	9.7
207.06679	1.0
208.99953	0.8
215.05598	5.4
220.03757	1.8
221.06619	1.2
293.08734	1.0
351.07181	13.8
367.10373	8.9
369.09781	7.0
411.10843	4.4
531.15308	8.3
543.15137	18.5
723.21423	30.2
723.33392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	1.9
59.01392	58.8
71.01389	27.8
73.02972	10.9
75.60551	2.1
80.54492	1.8
83.01411	4.5
85.02978	10.2
87.00894	5.0
89.02444	31.1
89.94550	2.1
94.62188	1.9
97.02973	4.2
101.02451	28.9
113.02465	12.8
119.03509	10.2
125.02458	10.3
125.72688	1.8
143.03516	2.0
147.94812	2.1
161.04480	2.6
198.27748	2.2
217.07565	2.0
219.30969	2.0
221.06604	2.5
235.08234	11.4
256.93396	2.2
277.21753	100.0
283.39633	2.7
397.13483	87.3
415.14542	30.6
480.73877	2.2
673.57306	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	721.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88121	3.0
59.01400	56.6
66.81280	3.6
71.01382	35.7
85.02969	7.9
87.00890	6.4
89.02446	32.8
101.02448	37.3
113.02472	17.6
119.03507	4.1
125.02441	4.4
175.80046	3.9
178.54135	4.1
185.74033	4.0
235.08380	6.4
263.20169	100.0
323.37888	4.6
397.13589	97.8
415.14850	36.0
664.06921	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	721.4182
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
58.04424	2.9
59.01395	21.3
71.01401	5.5
92.09534	3.2
101.02487	4.2
106.96157	3.5
109.06578	36.3
126.47456	3.5
135.08224	4.2
152.61725	3.6
160.44044	3.2
163.11284	26.4
168.49983	3.8
180.26236	4.3
207.10281	100.0
225.11401	42.1
253.09346	7.0
277.21707	82.0
461.20380	16.8
557.97876	4.3
717.77557	4.0
721.41827	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	721.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98456	0.7
55.01889	0.6
59.01386	4.7
61.98833	1.2
63.92274	0.7
71.01389	5.6
71.95608	0.6
73.02951	0.6
75.26578	0.6
78.91891	1.5
79.95744	14.5
80.96512	8.1
85.02950	2.6
87.00857	2.6
89.02454	1.7
91.51106	0.8
93.03478	1.2
96.96008	100.0
101.02428	5.5
113.02441	3.2
116.86663	0.7
135.04520	0.8
137.02420	0.8
137.68539	0.7
137.96315	1.1
138.97078	7.4
166.96516	1.2
191.05675	3.1
224.40176	0.7
241.00285	15.3
301.10889	1.6
360.75851	0.8
721.31183	97.2
722.31555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40569	3.5
51.75997	4.7
52.07992	4.1
54.60704	3.8
58.00606	4.1
59.01398	39.2
60.03306	4.0
61.98844	20.7
67.14004	4.2
70.87286	4.2
71.01410	39.4
73.02957	19.6
77.45883	4.3
82.59596	4.3
82.95430	10.2
85.02969	32.2
87.00919	4.7
89.02466	23.1
93.03461	5.4
95.08066	4.6
96.96017	100.0
97.02925	5.4
99.00852	8.6
101.02472	34.5
102.07014	4.8
113.02438	10.8
125.02442	5.7
141.30447	6.1
161.04521	8.1
163.21440	5.0
175.04012	5.2
179.03383	5.1
191.05658	10.7
223.23596	5.1
247.56761	5.6
291.18170	18.6
337.16211	4.9
444.64520	5.6
463.70352	5.4
567.26514	41.3
585.27802	39.1
627.28619	32.6
685.40906	7.6
721.29193	47.8
721.41876	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	721.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32772	0.3
51.48611	0.2
57.03471	0.4
59.01394	1.7
64.68723	0.3
67.01908	2.0
69.03475	0.5
71.01397	2.0
81.03436	0.6
83.05050	0.4
85.02960	7.4
87.00903	1.9
93.03465	13.4
99.04533	0.4
107.05068	0.4
109.02981	1.5
111.04530	3.7
113.02489	0.3
116.90731	0.2
127.04041	2.9
133.02963	2.1
134.03706	1.3
135.04533	29.6
137.02448	2.0
140.88095	0.3
143.03610	0.3
148.16672	0.3
155.03497	1.9
161.02478	2.6
171.03008	0.3
173.04570	34.5
174.04922	0.4
179.03523	23.0
191.05647	100.0
192.05939	0.3
352.07703	0.3
353.08862	28.9
360.26566	0.3
369.68573	0.4
378.37888	0.3
412.90591	0.3
743.27228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42005	0.3
56.68673	0.2
58.00594	0.3
59.01385	76.3
60.08286	0.2
61.85225	0.3
70.18144	0.2
71.01383	13.5
72.99327	0.3
83.01407	0.3
83.88347	0.3
84.90403	0.3
85.02934	2.5
87.00889	0.5
89.02444	20.1
95.01393	0.5
99.00874	0.3
101.02443	10.6
109.93008	0.3
113.02457	6.3
115.82951	0.4
119.03503	9.9
125.06100	1.5
131.03455	0.5
143.03575	0.5
143.07152	4.3
146.49019	0.3
149.04524	0.4
161.04608	0.6
161.08195	0.5
179.05672	0.6
223.82108	0.3
294.16620	0.3
323.13528	100.0
324.13876	0.7
530.94476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.2
59.01385	1.9
59.10227	0.1
60.61368	0.1
60.66916	0.1
61.98843	0.3
67.01915	0.2
71.01386	2.1
73.02958	0.3
79.04938	0.1
81.03480	0.2
85.02946	6.4
87.00867	1.9
89.02460	0.7
93.03452	3.9
96.96012	0.2
98.51724	0.1
99.00871	0.5
99.04531	0.2
101.02467	0.3
104.32877	0.1
109.02969	0.5
111.04523	0.7
113.02493	0.3
115.00398	0.3
117.03532	0.2
119.05040	0.9
121.02961	3.9
127.04020	1.3
135.04527	0.2
145.02946	0.9
149.04546	0.1
150.03279	0.2
153.01860	0.1
155.03427	0.2
161.02399	0.2
163.04002	1.4
171.03009	0.3
173.04541	1.8
173.73817	0.1
179.03545	0.2
191.05635	100.0
192.06001	0.8
237.04131	0.2
266.05731	0.2
275.03751	0.2
293.04474	0.2
294.05255	0.2
305.10651	0.1
309.07840	0.2
320.03372	0.2
335.05728	0.5
337.09375	17.3
338.09836	0.2
353.06558	1.1
371.19586	0.1
482.24353	0.2
487.77051	0.1
527.11810	1.7
659.32770	0.2
719.17926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82299	0.6
54.82424	0.6
55.77225	0.6
59.01385	7.7
59.27312	0.6
61.98835	0.8
63.61088	0.7
71.01384	7.6
72.99302	1.1
78.91869	0.7
79.95735	18.1
80.96518	8.7
85.02957	1.3
87.00864	0.9
89.02441	4.5
89.02941	0.7
96.96008	100.0
97.02941	0.9
101.02431	3.1
113.02444	1.4
125.02376	1.1
126.90426	5.7
137.96284	1.1
138.97113	6.7
150.97099	2.8
152.03522	1.6
154.93224	0.7
185.15178	0.7
341.56656	0.7
403.05655	6.0
628.87756	1.0
719.29675	96.6
720.29926	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	718.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26725	3.0
59.01389	50.1
61.98848	9.3
71.01398	37.9
85.02940	5.6
86.26353	3.7
89.02465	32.8
94.81442	4.0
101.02441	29.4
113.02436	8.8
119.03474	7.1
124.88492	3.6
156.64096	4.0
176.78328	3.7
188.51453	4.1
193.84425	4.3
198.73679	4.2
235.08170	7.9
277.21780	100.0
306.83139	4.1
397.13580	94.5
415.14734	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87527	0.4
56.06445	0.4
56.62532	0.4
59.01389	10.7
60.69413	0.5
63.70118	0.5
71.01395	8.1
85.02960	0.5
89.02442	15.6
99.17900	0.4
101.02427	5.7
113.02470	3.7
119.03497	4.4
131.03528	0.6
143.03479	0.9
161.04559	1.8
179.05634	5.6
180.04120	0.5
197.02219	0.6
215.03368	4.3
341.10919	21.8
377.08582	100.0
378.09073	0.9
461.32697	0.6
472.44781	0.5
655.18073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71747	0.1
59.01393	2.7
62.04454	0.1
71.01391	1.7
73.02942	0.2
85.02955	0.6
87.00889	0.8
89.02458	1.9
90.65493	0.1
93.03461	1.2
96.69431	0.2
96.95999	1.2
99.00900	0.3
99.04499	0.2
101.02446	0.4
103.00378	0.3
105.03460	0.2
108.37399	0.1
113.02427	0.2
116.92859	0.2
119.05038	100.0
120.05389	0.4
121.02979	1.6
125.02457	0.4
130.99867	0.3
131.03531	0.2
133.02950	2.0
135.04585	1.2
142.87775	0.2
149.04581	1.0
163.04034	75.1
164.04381	0.4
173.04578	1.9
177.02010	0.4
179.03473	0.2
191.05653	1.8
225.21680	0.2
253.03572	0.7
293.08881	1.2
307.01285	0.2
325.09372	9.5
351.07254	1.0
601.56824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13723	15.9
52.46941	18.7
59.01391	35.8
69.14605	21.8
75.63036	22.5
81.10156	20.3
92.10121	70.3
99.89004	21.9
116.92855	92.2
124.70235	19.1
126.80839	21.4
135.79320	20.3
247.28984	23.4
283.26474	95.2
397.13477	100.0
578.01312	29.2
717.38379	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
64.34287	1.1
78.91951	0.9
80.91679	6.2
82.34583	0.9
93.03491	1.2
119.05026	67.8
121.02955	100.0
132.05826	1.7
145.02959	3.7
147.48499	0.9
163.03966	8.5
177.67183	0.8
181.05118	1.4
185.02203	1.7
190.16515	0.9
215.72574	0.9
300.30310	1.0
427.57495	0.9
453.33847	2.1
639.36975	1.2
657.37860	58.6
717.39447	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	717.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37238	0.3
55.01881	6.1
55.29929	0.3
56.98736	0.3
57.03454	4.2
58.00599	0.8
59.01385	31.1
60.21378	0.3
60.87186	0.4
61.98831	8.9
69.03477	0.4
69.90184	0.3
71.01382	45.9
72.99300	1.7
73.02948	14.9
73.29318	0.4
75.00880	1.4
80.54993	0.4
83.01386	8.8
85.02950	23.0
87.00890	3.0
89.02442	11.4
95.01392	4.2
96.29185	0.4
96.81137	0.4
97.02939	2.5
99.00874	6.7
101.02442	37.8
102.76625	0.4
109.84294	0.4
111.00874	0.8
113.02451	20.5
119.03522	3.1
125.02444	2.6
129.01888	0.5
131.03488	0.4
143.03514	2.0
154.30527	0.4
159.02983	3.3
161.04573	12.1
179.05585	0.7
191.05525	0.6
257.39804	0.5
263.07410	0.5
323.10208	0.5
333.24252	3.2
495.29831	11.5
499.49289	0.4
654.80420	0.5
657.35065	100.0
658.35242	1.9
681.37048	1.5
717.33899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35670	0.3
54.82666	0.4
55.01883	3.7
56.73201	0.4
57.03453	3.1
58.00611	2.0
59.01388	62.4
60.01728	0.5
61.98844	2.7
63.71539	0.4
69.03470	0.6
71.01391	56.9
72.60531	0.4
72.99317	2.5
73.02955	12.6
75.00900	0.7
83.01392	7.7
84.02203	0.5
85.02969	22.0
87.00885	5.8
88.98817	0.6
89.02454	44.2
95.01392	3.6
96.96013	1.5
97.02965	1.6
99.00887	5.3
101.02450	45.4
109.02960	0.8
113.02459	24.8
117.93999	0.4
119.03502	15.8
119.04871	0.5
125.02436	2.7
129.01915	0.5
131.03496	4.5
134.03734	0.6
135.04483	1.9
136.01657	0.6
137.02461	0.5
143.03535	3.2
143.04445	0.5
149.02490	0.5
149.04579	1.0
150.03143	0.6
151.04002	2.5
153.23439	0.4
159.03014	2.2
160.01613	0.8
161.02472	0.7
161.04575	13.2
162.03107	0.4
165.05524	0.8
165.09129	0.4
171.88747	0.4
177.01962	0.5
179.03421	0.5
179.04016	0.7
179.05620	12.9
191.05640	1.6
193.05066	0.6
221.06703	7.8
344.22745	0.4
495.29865	2.6
502.14377	0.5
615.41943	0.5
639.33105	0.7
657.35022	100.0
658.35419	2.1
671.36633	3.7
681.38043	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	717.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20806	0.3
55.01889	5.1
56.57800	0.3
57.03446	2.7
59.01388	27.7
61.98841	2.4
69.03465	0.4
71.01385	38.1
72.99306	3.5
73.02949	13.1
75.00870	0.6
78.10059	0.3
83.01392	9.6
83.01881	0.4
85.02955	23.8
87.00869	2.4
88.98834	1.4
89.02446	9.2
92.91093	0.3
95.01401	3.9
95.67989	0.3
96.96017	0.3
97.02966	1.4
99.00877	6.2
101.02447	32.3
111.00871	0.4
113.02455	19.0
117.03465	1.8
119.03512	3.5
119.05028	2.0
125.02464	2.5
129.01974	0.6
131.03519	0.7
143.03523	1.8
145.02975	7.5
159.02980	3.0
161.04584	7.9
163.04070	1.5
180.66672	0.4
194.46208	0.4
212.87335	0.4
243.53398	0.4
333.24509	6.6
373.80621	0.4
429.26514	0.4
495.29788	12.7
533.87433	0.4
543.05670	0.4
593.83655	0.4
600.93933	0.4
657.35114	100.0
658.35217	2.7
717.29565	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	717.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23419	0.4
54.82527	0.6
55.01887	4.6
57.03453	4.6
58.00607	0.4
59.01388	30.5
60.65362	0.4
60.99319	0.6
61.98834	7.9
63.03663	0.4
71.01384	48.4
72.01756	0.4
72.99307	5.0
73.02950	14.4
75.00880	2.0
82.95402	0.6
83.01389	9.9
83.38158	0.5
85.02958	26.2
85.03461	1.1
87.00902	2.8
88.98811	5.4
89.02443	9.0
93.03483	0.6
95.01387	4.1
97.02946	2.5
99.00879	6.0
101.02444	35.0
113.02454	18.9
114.38572	0.5
116.92806	0.5
119.03513	2.7
125.02455	1.2
129.01923	0.7
131.03558	0.7
134.03676	0.5
135.04477	0.6
143.03513	1.2
146.06029	0.4
159.02992	2.5
161.02489	1.2
161.04565	9.7
162.72694	0.5
175.03967	0.8
191.05734	0.6
193.04849	0.6
241.90639	0.5
244.21452	0.5
288.74466	0.5
333.24350	5.7
363.11087	0.6
495.29639	9.2
656.34021	2.6
657.35016	100.0
658.35608	2.5
678.82440	0.5
717.30334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35670	0.3
54.82666	0.4
55.01883	3.7
56.73201	0.4
57.03453	3.1
58.00611	2.0
59.01388	62.4
60.01728	0.5
61.98844	2.7
63.71539	0.4
69.03470	0.6
71.01391	56.9
72.60531	0.4
72.99317	2.5
73.02955	12.6
75.00900	0.7
83.01392	7.7
84.02203	0.5
85.02969	22.0
87.00885	5.8
88.98817	0.6
89.02454	44.2
95.01392	3.6
96.96013	1.5
97.02965	1.6
99.00887	5.3
101.02450	45.4
109.02960	0.8
113.02459	24.8
117.93999	0.4
119.03502	15.8
119.04871	0.5
125.02436	2.7
129.01915	0.5
131.03496	4.5
134.03734	0.6
135.04483	1.9
136.01657	0.6
137.02461	0.5
143.03535	3.2
143.04445	0.5
149.02490	0.5
149.04579	1.0
150.03143	0.6
151.04002	2.5
153.23439	0.4
159.03014	2.2
160.01613	0.8
161.02472	0.7
161.04575	13.2
162.03107	0.4
165.05524	0.8
165.09129	0.4
171.88747	0.4
177.01962	0.5
179.03421	0.5
179.04016	0.7
179.05620	12.9
191.05640	1.6
193.05066	0.6
221.06703	7.8
344.22745	0.4
495.29865	2.6
502.14377	0.5
615.41943	0.5
639.33105	0.7
657.35022	100.0
658.35419	2.1
671.36633	3.7
681.38043	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	717.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79176	1.0
54.29848	1.1
55.01899	1.4
57.03470	7.5
58.00626	1.4
59.01390	76.4
71.01385	60.0
72.99333	2.8
73.02938	20.4
83.01414	5.8
85.02966	20.0
87.00891	5.7
89.02447	100.0
90.71530	1.5
92.10828	2.7
93.03443	5.3
94.47724	1.7
96.96036	5.9
97.02971	6.5
99.00887	33.1
99.04545	1.8
101.02453	39.7
113.02425	12.2
115.04037	2.0
119.03506	3.2
119.05018	1.8
121.02959	3.1
123.08175	9.7
125.02450	11.6
129.05650	1.9
131.03502	11.5
134.03764	5.8
135.04559	2.6
135.08174	8.9
145.03001	2.0
149.04587	35.0
149.05898	2.0
150.03229	2.0
151.04053	1.6
153.02029	2.1
161.02467	2.9
161.04555	4.9
176.01117	2.0
191.03822	2.5
191.05617	28.6
192.05934	1.4
205.12456	2.1
209.11874	9.4
221.06728	5.6
233.06618	3.2
251.07762	3.4
275.16599	3.4
293.08969	6.9
311.09805	2.7
397.13605	6.4
495.25992	3.3
569.26227	2.2
624.12439	1.8
639.30341	40.8
657.31238	48.1
698.85132	1.7
717.24512	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	717.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.57372	0.4
59.66691	0.4
65.41235	0.4
92.10843	2.0
96.99299	1.9
100.87146	0.4
141.01704	33.3
142.23177	0.5
150.87093	0.5
194.12096	0.5
219.45035	0.5
306.64941	0.5
367.06760	0.5
373.17056	0.5
457.09705	0.5
522.81018	0.5
657.31744	1.1
722.65924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31253	0.4
56.53430	0.5
59.01387	100.0
63.42266	0.4
70.06316	0.5
70.69266	0.4
71.59638	0.4
71.60435	0.4
96.99322	2.0
141.01717	37.4
176.08977	0.5
183.13940	0.5
201.02591	0.7
209.11906	0.8
211.13422	2.2
373.93695	0.6
398.99911	0.6
615.50745	0.6
708.50189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82965	0.2
59.01384	2.1
61.98836	100.0
68.60828	0.2
71.01393	1.0
78.70642	0.2
78.95914	0.3
80.49714	0.2
82.12827	0.2
86.97025	0.2
89.02444	1.3
90.54706	0.3
96.96001	3.5
96.96963	0.5
101.02456	0.9
113.02471	0.9
119.05013	0.9
136.97665	0.3
149.76694	0.2
163.03967	0.3
186.80888	0.2
255.23395	1.9
256.23624	2.1
257.23956	0.4
397.13660	0.5
398.13550	1.1
399.14001	1.4
400.13913	0.4
559.55408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20990	1.8
61.98820	3.2
62.25396	1.9
66.01196	1.8
96.96022	11.1
98.95551	2.2
99.00909	4.0
99.92581	76.3
100.93363	4.6
106.12418	2.1
115.92072	73.1
117.03461	7.2
119.05032	62.2
134.03795	3.3
163.04007	41.2
182.73195	2.1
230.76939	2.1
379.96741	1.9
553.26331	4.3
717.31165	100.0
718.31030	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	715.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	16.1
66.60743	6.1
71.01412	11.2
77.41684	6.0
77.68613	6.2
88.69052	7.6
92.10767	9.8
101.02442	10.1
113.06793	7.0
116.17852	6.5
255.23265	100.0
256.23630	10.0
281.24783	51.2
397.13406	71.3
409.75378	8.4
454.01767	7.7
715.03436	9.1
715.37439	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04291	0.8
55.01888	5.9
57.03455	6.3
59.01387	58.7
61.98837	28.5
66.04825	0.8
68.45358	1.0
71.01384	63.7
72.99309	4.3
73.02944	17.3
76.57561	1.1
81.38459	0.9
83.01389	9.4
84.28568	1.0
85.02954	26.7
85.89594	1.0
87.00877	4.7
88.98796	1.8
89.02441	42.8
89.54999	1.0
91.53308	0.9
93.03458	1.6
95.01399	7.2
96.95991	1.3
97.02984	2.3
99.00880	9.7
101.02445	46.3
108.02134	1.3
109.02944	1.7
111.00882	1.0
113.02453	28.4
119.03503	11.2
119.04970	1.0
121.02940	2.0
125.02456	3.9
131.03482	3.8
134.03743	1.5
135.04510	2.1
136.12282	1.0
137.02412	1.5
143.03503	3.3
149.04601	1.4
150.28409	1.0
151.03996	1.5
159.02997	3.4
161.02425	0.9
161.04584	16.0
167.03497	2.0
175.04053	1.2
179.05634	9.5
191.05615	5.6
221.06702	6.0
244.56467	1.0
331.22705	1.8
361.29456	1.1
376.25720	1.0
493.28302	6.3
654.37598	1.8
655.32910	100.0
715.38019	2.0
719.30969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.5
57.03449	3.3
58.00597	1.5
59.01386	42.7
61.86138	0.2
61.98834	6.5
69.03457	2.9
71.01384	56.9
72.99297	3.0
73.02947	16.8
73.03358	0.6
75.00870	1.3
81.03459	1.3
82.71090	0.3
83.01389	6.6
85.02953	23.8
87.00868	3.9
87.17189	0.2
88.98807	1.1
89.02443	30.2
92.10108	0.6
93.03520	0.3
95.01405	4.0
95.05022	0.6
96.17960	0.2
96.95969	0.2
97.02958	3.8
97.06582	2.7
99.00883	7.3
99.01922	0.2
99.04540	0.3
101.02447	45.1
102.34149	0.3
109.02925	0.6
111.00887	2.1
113.02455	23.4
115.04042	0.3
117.44870	0.3
119.03512	11.1
119.04907	0.5
121.02937	0.6
123.00951	0.3
123.08156	4.4
125.02448	7.2
130.51724	0.3
130.70836	0.3
131.03508	2.1
134.03738	0.3
135.04506	1.5
137.02464	0.3
139.03902	0.3
139.07610	0.4
141.01958	0.4
141.09232	2.2
143.03514	4.1
145.05011	0.3
149.04608	0.5
152.01172	0.3
152.12177	0.3
159.03030	2.5
161.04581	13.0
168.00650	0.3
171.55931	0.3
175.03975	0.3
175.22681	0.3
179.05617	5.6
189.12849	0.4
191.05565	0.6
203.05527	0.3
221.06720	3.8
233.06644	0.6
245.06648	2.4
263.07779	2.6
267.17630	0.4
269.19138	9.3
285.18683	0.5
287.20181	4.9
313.21652	1.0
323.09933	10.0
324.35938	0.3
329.21204	1.3
331.22852	43.0
373.18777	0.3
493.28159	9.2
581.31812	0.3
655.33417	100.0
656.33698	1.8
661.35657	0.3
715.18207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3482
Annotation	Amataine
Peak:m/z	Relative Intensity
54.32748	9.7
58.97608	9.3
59.01392	100.0
61.98850	25.4
64.10973	10.2
71.01385	16.4
75.00879	83.0
79.48214	9.4
85.02951	11.9
89.02469	12.7
96.95979	13.8
103.00371	20.0
191.05695	18.3
302.21936	12.5
655.37012	12.3
715.34613	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.475
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15244	0.2
58.83173	0.2
59.01368	0.2
63.38595	0.2
71.01390	0.3
73.13609	0.2
83.05037	0.4
83.13331	0.2
91.74728	0.2
160.70622	0.2
179.36160	0.2
179.45947	0.2
217.75346	0.2
421.56110	0.3
459.62131	0.3
677.49902	2.8
713.47528	100.0
714.47876	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	715.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14463	0.6
53.61587	0.6
55.01893	1.2
57.03455	0.7
59.01388	12.0
60.99319	16.4
61.98840	4.3
71.01388	13.7
73.02968	3.3
75.00887	3.8
83.01404	1.4
85.02966	5.8
87.00912	1.1
88.00451	0.8
88.98811	100.0
89.02437	12.0
91.31004	0.6
92.10790	2.2
95.01442	1.0
99.00883	1.5
101.02444	10.4
113.02466	4.0
119.03529	1.2
119.04993	1.1
125.02422	1.3
131.03532	0.8
145.02966	2.6
159.02936	0.7
161.04506	1.5
179.05603	3.2
245.37560	0.9
331.22534	1.0
625.32367	1.3
639.39905	1.0
655.32593	11.7
669.41040	1.3
715.30859	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	713.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60968	0.4
52.24723	0.4
52.76694	0.4
53.27833	0.4
55.01891	2.9
55.24220	0.5
55.29979	0.4
57.03464	2.8
58.00594	0.6
59.01384	43.7
61.98827	3.9
62.18890	0.4
69.03447	1.0
71.01380	40.0
72.99323	2.5
73.02940	13.9
73.16228	0.5
75.00893	0.9
81.03487	0.9
83.01384	5.9
85.02956	15.0
85.06596	0.7
86.00092	0.6
87.00863	5.3
89.02437	34.3
93.03461	1.2
95.01391	2.8
97.02949	2.7
97.06570	1.2
99.00867	11.3
101.02442	28.3
111.00909	2.2
113.02445	11.9
115.04024	3.3
116.92872	2.4
119.03513	3.1
121.02945	2.1
123.04524	1.0
123.08192	1.2
125.02420	5.2
129.01903	0.6
131.03505	3.1
134.03755	0.7
135.04601	0.6
137.02443	1.3
143.03522	0.7
143.10783	0.5
149.04550	3.1
157.12357	3.5
159.02982	0.8
160.01657	0.8
160.05247	1.0
161.02434	1.0
161.04561	5.4
175.03952	2.1
176.74446	0.7
177.02071	0.6
190.41771	0.5
191.04019	0.7
191.05574	4.6
191.07095	0.7
193.05029	0.8
233.06740	1.0
243.19768	1.2
276.78448	0.5
293.08844	0.9
295.08893	0.6
329.21442	0.5
337.09326	0.9
359.27960	4.3
409.17276	0.9
521.33368	4.4
532.34686	0.6
552.51373	0.6
605.72125	0.6
653.37787	100.0
654.37714	1.1
666.31842	0.7
667.32385	3.3
713.25616	1.6
713.37408	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	713.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
57.03464	0.9
58.00612	1.9
59.01385	51.6
61.52831	0.3
69.03473	2.6
70.04467	0.4
70.85123	0.4
71.01381	32.0
71.65502	0.4
72.99320	2.2
73.02935	5.2
81.03458	0.6
83.01402	3.5
85.02953	8.0
85.03389	0.4
87.00875	5.7
89.02444	31.8
89.07815	0.4
91.04025	0.4
94.98082	0.6
95.01397	2.4
97.02942	5.4
99.00902	2.3
101.02441	22.9
103.43052	0.4
109.02941	0.6
111.00937	0.5
111.04459	0.5
113.02457	12.1
116.92887	0.5
119.03483	7.1
119.05027	0.5
121.02956	0.5
125.02457	10.1
127.04050	0.4
128.85783	0.4
131.03499	0.5
133.05066	1.8
139.03986	0.7
141.01859	0.5
143.03540	3.8
149.04587	0.7
161.04593	4.4
163.04047	0.5
164.65149	0.4
179.05605	2.5
183.35643	0.4
185.04709	0.4
221.06673	1.6
235.08243	8.9
245.06766	0.6
253.09270	1.9
255.23325	100.0
256.23706	0.7
263.07806	0.7
287.07822	3.1
305.08704	2.8
323.09900	0.8
384.94461	0.4
397.13568	87.0
398.13742	0.6
415.14642	24.8
582.86292	0.5
624.18311	0.4
653.37805	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69308	0.3
53.48026	0.3
55.01894	2.1
57.03463	0.6
58.00616	0.7
59.01387	44.4
60.79041	0.3
69.03469	2.5
71.01381	26.0
72.99320	2.0
73.02946	5.8
75.00896	0.8
81.03453	0.6
83.01402	4.3
85.02953	7.8
85.03389	0.5
87.00873	5.5
89.02441	28.9
91.03991	0.4
94.98067	0.5
95.01416	2.6
97.02936	6.2
99.00903	2.0
101.02445	24.6
101.75221	0.3
109.02930	0.6
111.00900	0.4
111.04521	0.7
113.02451	12.2
115.04038	0.6
119.03503	6.4
121.02953	0.6
125.02449	9.3
125.93052	0.4
131.03473	0.6
133.05089	0.4
139.04022	0.7
142.56390	0.4
143.03526	3.1
161.04553	3.4
179.05637	4.0
182.13805	0.4
203.05835	0.4
218.68744	0.4
221.06697	2.3
235.08241	9.0
253.09338	1.9
255.23331	100.0
256.23657	0.4
263.07770	0.6
287.07819	2.2
305.08820	2.6
319.32565	0.4
357.33447	0.4
379.12955	0.5
397.13571	85.6
398.13812	0.6
415.14673	23.2
623.64844	0.4
653.37549	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	713.376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05094	1.1
59.01386	100.0
66.14906	1.2
66.51348	1.2
71.01365	9.6
72.99338	2.4
73.02943	1.5
85.02961	4.9
87.00871	1.3
89.02454	7.2
92.10117	3.4
96.96029	1.7
101.02447	8.9
107.69944	1.5
113.02481	5.2
119.03502	1.6
133.12914	1.2
161.04553	3.0
179.05643	2.3
191.05482	1.5
311.32147	1.6
364.47354	1.4
533.72058	1.4
639.33765	2.3
713.35425	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	713.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.2
57.03468	1.0
58.00606	3.7
59.01389	80.8
60.99306	3.7
61.98857	5.8
68.56461	0.7
70.07935	0.8
71.01388	46.4
72.99319	4.5
73.02950	4.4
75.00899	1.7
81.03457	1.5
83.01406	5.0
84.95122	1.6
85.02948	12.5
87.00869	4.7
88.94044	0.8
88.98811	20.6
89.02447	42.7
95.01395	3.5
99.00877	1.9
101.02455	26.1
106.30724	0.7
109.02995	1.5
113.02470	15.0
119.03504	15.5
120.62553	0.9
121.02948	1.3
125.02534	0.8
127.04044	1.3
143.03539	0.8
149.04587	1.5
161.02458	1.0
161.04501	1.8
179.05609	3.6
191.05579	2.0
191.07211	1.1
217.99994	0.8
240.77180	1.1
347.25977	1.3
551.32837	1.2
653.38000	7.0
667.33441	1.0
713.37775	100.0
714.38446	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	713.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56915	1.3
55.01907	9.8
57.03456	12.4
58.39721	1.6
59.01391	63.3
59.91269	1.3
61.98855	10.1
64.34415	1.7
68.98540	1.5
69.03469	2.1
71.01390	94.3
72.99334	8.5
73.02950	27.7
75.00896	3.3
78.95883	1.9
81.03465	14.2
83.01387	18.5
83.05050	8.1
85.02960	69.8
86.00122	3.0
87.00888	11.9
88.98802	5.7
89.02447	33.1
92.10779	5.1
95.01423	9.8
97.02955	2.9
99.00875	15.6
99.04540	3.5
101.02450	64.5
109.02962	13.9
113.02452	39.9
115.04013	2.0
116.92909	1.8
119.03543	8.2
121.02952	34.8
123.04527	1.9
125.02451	2.5
125.66260	1.6
126.03329	1.7
127.04034	15.7
133.02969	2.3
135.04515	2.9
143.03477	2.5
145.05121	1.9
149.04558	1.8
159.03047	6.5
161.02470	6.8
161.04555	31.3
174.14743	1.5
177.01921	2.5
179.03510	3.4
191.05656	9.8
193.04999	1.9
209.04579	17.0
295.89066	1.6
347.26096	10.9
399.35464	1.6
507.33472	16.4
551.32568	11.1
653.37958	3.4
669.38177	11.1
713.38055	100.0
714.38153	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	713.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05742	3.1
54.75428	3.8
54.82695	3.9
56.95967	3.3
59.01381	9.0
61.98832	8.7
71.01369	5.5
75.53893	3.5
76.49554	4.3
85.02960	5.2
92.10796	9.8
222.47786	4.4
252.71732	4.7
286.32004	5.0
478.60794	4.6
563.02246	4.8
653.35016	17.8
656.66351	4.9
713.33344	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	713.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	64.6
59.51121	4.0
60.83912	4.3
61.98850	20.2
71.01403	26.8
72.63863	4.8
72.87062	3.9
72.99338	7.5
73.02982	5.1
74.40207	4.1
85.02963	8.9
89.02467	27.3
93.03457	5.8
96.96004	8.1
99.00896	6.3
101.02445	18.4
113.02492	6.9
135.04541	5.7
149.22575	5.1
173.04582	5.1
191.05653	22.4
296.52438	5.3
653.39294	8.6
662.00818	5.9
713.32990	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	713.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01661	1.3
55.01903	8.6
57.03461	8.3
58.00613	3.1
59.01390	96.3
61.98838	2.6
64.35183	1.3
69.03475	1.9
71.01385	100.0
71.67739	1.2
72.99327	3.1
73.02131	1.4
73.02950	39.1
75.00886	2.2
83.01386	15.1
85.02958	41.6
86.00138	1.6
87.00900	7.7
89.02448	58.9
93.03470	8.8
95.01409	7.9
97.02953	6.3
97.06628	2.0
99.00870	22.0
99.92580	3.8
100.92632	2.1
101.02446	89.0
111.00902	2.1
113.02460	36.0
114.83625	1.6
115.04005	1.7
116.92860	71.5
116.93690	2.4
117.01999	1.7
117.92871	28.5
118.92617	20.9
118.93347	6.3
119.02659	2.7
119.03490	24.4
123.08161	76.8
125.02443	7.8
131.03529	5.9
134.03824	4.9
137.02443	17.6
143.03535	2.5
149.04581	1.9
159.02975	2.1
160.01579	12.1
161.02455	1.8
161.04533	16.7
175.04033	12.5
176.04695	6.3
179.03557	1.4
179.05641	8.0
191.05602	6.9
191.07190	7.4
193.05081	2.0
193.12312	8.2
205.12349	6.5
221.06711	3.2
279.19788	1.5
323.09671	2.2
329.21252	17.3
337.09427	3.3
359.28323	3.5
379.35138	1.8
409.17654	2.0
491.26691	29.2
521.33270	7.4
653.31586	73.0
653.38318	68.1
677.26520	10.5
713.38861	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	711.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20564	1.3
55.74511	1.4
59.01414	2.0
68.23885	1.8
72.99306	2.0
75.00892	4.2
107.05051	2.9
121.02958	100.0
125.31219	1.7
134.03732	10.8
135.04532	52.7
150.08916	1.8
154.54762	1.8
179.03523	16.3
179.45528	2.1
197.04575	69.4
197.06406	3.0
217.00212	1.6
374.21991	1.9
393.87790	2.0
401.85431	2.1
408.52612	2.3
453.33875	25.1
633.38312	12.7
651.39056	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	713.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
68.82108	0.4
71.01378	0.5
85.02945	6.8
86.32571	0.4
87.00897	1.8
93.03462	3.9
96.96064	0.5
108.86027	0.4
111.04520	0.6
127.04017	1.7
133.02957	3.5
135.04477	1.9
161.02461	2.6
173.04597	1.7
179.03479	0.9
191.05641	100.0
191.80719	0.4
192.06084	0.7
215.05693	0.5
351.07022	0.5
353.08862	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	713.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.8
66.02403	3.0
71.01408	6.2
78.62153	3.8
80.42257	2.8
85.02981	3.8
115.22961	3.0
128.81731	3.5
153.77539	3.0
186.73126	3.1
348.12280	4.3
402.09045	4.2
713.33313	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	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	54.6
60.33530	7.1
71.01400	14.6
73.02948	8.5
89.02456	13.4
101.02451	18.5
109.63298	8.6
253.21693	42.9
277.21735	53.6
314.64618	10.9
346.54141	8.6
346.68143	9.6
380.13727	9.8
397.13538	100.0
415.14554	14.0
629.33740	54.5
711.34064	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56612	0.4
53.68153	0.3
55.01883	2.4
57.03454	0.9
58.00598	1.0
58.44343	0.4
59.01387	48.2
69.03459	2.0
71.01384	47.8
72.99320	2.2
73.02950	14.9
75.00875	0.8
83.01395	5.7
85.02961	13.5
86.00063	0.6
87.00871	3.5
87.04523	1.9
89.02445	49.4
95.01402	2.5
97.02948	4.5
99.00884	16.5
99.01530	0.7
99.04540	0.6
101.02448	31.4
111.00877	0.9
113.02460	14.1
115.04019	2.6
119.03520	6.7
121.02973	8.1
125.02454	9.0
127.04024	0.6
131.03519	5.3
135.04530	1.1
136.01619	1.5
143.03516	2.3
149.04572	6.7
151.04033	1.9
159.02995	0.6
161.02507	0.7
161.04579	3.6
167.12708	0.5
169.12398	0.7
171.10330	0.6
177.01877	1.2
191.05655	6.9
207.11964	0.5
209.04556	4.6
223.77782	0.5
233.06715	4.3
257.17493	0.8
293.08868	5.2
519.32098	5.1
572.77478	0.5
633.34998	0.8
651.36133	100.0
652.36761	2.7
711.35181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
61.98830	0.9
66.19558	0.7
68.06728	0.6
72.99306	7.2
81.51042	0.7
101.23966	0.7
107.05036	1.6
110.15318	0.9
119.05028	17.8
134.03757	3.3
135.04539	30.4
137.02519	1.4
163.04025	37.4
168.15718	1.0
179.03531	0.9
181.05081	100.0
197.04536	1.1
218.69392	0.8
365.08020	0.9
439.32285	4.6
469.33215	7.6
507.67975	0.8
651.39148	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69732	6.9
59.01373	19.6
68.14144	7.7
71.01373	8.1
71.07634	7.8
77.22853	7.2
89.02470	18.6
117.07658	7.9
143.17781	8.0
244.33855	9.2
277.21735	40.4
335.37860	8.6
397.13666	100.0
415.14490	17.8
711.33801	60.3
717.81860	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	711.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44048	9.9
50.53989	8.7
59.01393	17.0
61.47061	12.0
62.54058	10.3
75.69196	11.5
113.07255	11.6
131.50531	12.2
135.04538	29.6
154.37625	13.7
179.03505	27.8
201.62834	12.3
266.12509	11.9
596.53839	13.5
665.93372	13.8
677.38519	15.9
711.31573	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	711.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	8.3
62.83680	6.7
65.26565	5.8
70.53494	7.0
92.07507	7.4
99.89777	7.9
121.02982	30.4
150.96785	8.1
154.68944	6.3
237.70668	7.9
463.19937	8.1
495.12772	9.1
525.01221	7.4
711.31610	100.0
721.21973	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	711.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80391	0.3
54.31873	0.3
55.01889	6.1
57.03460	5.1
58.00611	0.7
59.01387	49.2
60.97034	0.4
61.64883	0.3
61.98830	1.2
69.03470	1.6
71.01385	53.3
72.99322	2.4
73.02946	15.7
75.00861	0.7
81.03445	0.8
83.01391	8.5
84.02165	0.5
85.02956	24.3
86.00108	0.5
87.00874	4.2
88.98793	0.4
89.02447	30.3
91.54487	0.3
91.98196	0.3
92.10126	1.2
93.03453	0.4
95.01389	3.5
95.05028	0.6
97.02962	2.1
97.06609	0.5
99.00887	6.2
101.02445	42.4
103.03967	0.4
111.00890	1.7
113.02456	21.8
119.03513	10.4
121.06602	0.8
123.08168	22.6
125.02453	3.4
129.01929	0.8
131.03526	3.3
135.04510	0.5
139.41621	0.3
141.01938	0.6
143.03513	3.1
149.04544	0.8
149.93974	0.4
152.01106	0.7
159.03027	2.3
161.02478	0.7
161.04584	12.3
167.03497	1.7
179.05650	8.2
181.05040	0.5
191.05594	1.4
191.10791	0.6
193.05128	0.4
194.10085	0.4
205.12320	0.8
220.33954	0.4
221.06696	5.9
241.12376	0.6
241.15959	0.4
255.13960	0.6
257.15521	4.7
269.15488	1.3
270.16296	2.0
283.16971	0.8
285.18604	2.8
297.15033	0.6
309.18719	3.0
311.16559	1.5
323.25427	0.4
327.19727	50.8
328.20120	0.7
489.25122	12.0
489.32095	0.7
515.21460	0.6
527.21576	12.3
609.29407	1.5
647.17224	0.4
651.30328	100.0
652.30432	2.4
668.33661	0.4
711.38617	0.8
724.80316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
67.23760	0.2
68.53175	0.2
84.53516	0.2
102.17514	0.2
130.49017	0.2
152.41379	0.3
166.51004	0.3
200.15654	0.3
296.33975	0.3
421.84570	0.3
591.63599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41805	0.1
61.98833	100.0
77.01209	0.1
85.69840	0.1
208.65344	0.1
248.48985	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
71.01385	17.8
85.02957	0.2
89.02451	0.3
92.10033	0.2
96.96023	0.5
99.00885	0.2
101.02409	0.1
114.99548	0.3
115.00373	9.6
121.02953	100.0
122.03276	0.8
123.82516	0.1
143.03485	0.2
145.03041	0.2
147.04443	0.2
149.56189	0.1
150.13986	0.1
175.04013	0.1
191.05608	0.6
237.04065	10.5
432.45358	0.1
663.20459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03457	0.2
59.01388	2.6
61.98854	0.2
71.01387	2.6
73.02941	3.6
75.00895	0.3
78.87837	0.1
83.01390	0.2
85.02963	1.2
87.00896	0.3
89.02451	1.9
93.03476	0.2
99.00880	1.6
99.92585	8.1
100.95148	0.1
101.02445	2.0
111.00927	0.2
113.02441	0.6
114.93404	0.3
116.92861	100.0
117.01945	4.1
117.92890	0.7
123.08154	0.3
125.02438	0.3
131.03545	0.2
133.03043	0.2
144.86465	0.2
149.06157	0.2
161.02385	0.3
161.04561	0.2
189.61049	0.2
191.05629	0.2
343.75562	0.2
378.18384	0.2
448.15121	0.2
651.36273	2.0
665.31805	1.1
711.38123	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	709.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	5.9
57.03455	4.8
59.01387	32.4
61.98847	3.5
63.52715	0.9
69.03470	1.6
71.01385	37.1
72.99305	1.2
73.02946	16.4
79.05540	5.0
83.01412	5.4
85.02958	16.9
87.00886	2.4
89.02444	16.7
93.03477	1.0
95.01350	1.2
96.96000	5.4
97.02931	1.4
97.06612	1.3
99.00861	8.6
101.02463	30.4
111.00897	1.4
113.02453	14.4
115.03999	1.3
116.92870	3.8
119.03500	1.7
125.02426	1.8
131.03513	1.0
133.02942	1.2
135.04591	1.1
137.62206	1.1
161.04559	5.1
161.09702	1.9
191.05562	1.7
199.01784	0.9
229.18185	1.7
310.45236	0.9
337.23694	1.2
367.15311	1.0
487.34503	8.1
499.29193	5.0
517.30298	8.7
609.79291	1.1
649.34546	100.0
650.34814	1.6
709.24091	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46062	1.3
57.90583	1.5
59.01393	6.5
63.77758	1.2
68.29952	1.4
71.01381	2.8
84.58736	1.4
89.02462	3.5
97.06561	2.1
101.02445	2.6
125.93020	1.5
151.11313	10.2
169.12346	100.0
213.11353	9.7
273.58276	1.6
277.21704	20.6
397.08160	1.7
449.20370	2.0
709.41754	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61630	0.1
59.01389	0.9
68.14140	0.2
73.02941	0.9
76.56470	0.2
85.65999	0.2
92.10712	0.4
99.00901	0.2
99.92584	10.1
101.02539	0.2
104.37202	0.2
116.92862	100.0
116.97229	1.7
117.01941	1.4
117.92848	0.4
133.80826	0.2
145.52611	0.2
150.34091	0.2
154.84619	0.2
226.54535	0.2
287.22607	0.2
361.61426	0.2
381.48764	0.2
395.42026	0.2
401.18622	0.2
415.97870	0.2
460.45392	0.2
470.16125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39855	0.2
59.01387	0.9
64.79041	0.2
71.01380	0.3
73.02949	1.3
85.02954	0.2
95.33804	0.2
99.00883	0.9
99.92584	9.8
114.93434	0.4
116.92867	100.0
116.97231	1.2
117.01936	1.4
117.92870	0.4
143.41890	0.2
170.57227	0.2
178.09618	0.2
181.05380	0.2
487.34082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
59.01392	63.1
61.98853	3.9
62.92408	1.4
63.74966	1.3
64.42687	1.3
67.93268	1.3
71.01392	54.0
72.97556	1.5
72.99319	3.5
73.02958	18.0
75.00889	3.2
82.95435	3.6
83.01403	6.0
85.02950	19.8
87.00874	12.9
89.02450	57.2
93.03472	2.8
95.01353	2.0
96.96034	2.9
97.02967	2.2
99.00879	19.9
101.02445	34.5
113.02444	15.8
116.92862	2.2
119.03496	8.2
119.04976	1.5
121.02996	1.5
123.88134	1.7
125.02448	3.8
131.03519	2.9
133.02937	2.2
134.03673	1.8
135.04581	2.1
141.89775	1.7
143.03481	2.1
149.04533	9.5
149.05792	1.4
161.02486	11.6
161.04611	3.7
161.06113	1.9
175.07628	7.6
177.01875	3.4
179.03586	1.5
184.07678	1.6
190.96429	1.6
191.05620	10.2
199.32140	1.5
248.52176	1.6
269.33521	1.6
278.63300	1.7
291.15417	1.8
351.19421	2.1
369.20691	14.5
471.20724	1.8
531.25897	8.9
581.42151	1.7
645.28851	1.8
649.34229	6.3
663.30377	100.0
709.34595	2.7
724.73535	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	707.381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94836	0.3
58.14299	0.4
59.01385	1.7
60.99312	21.4
62.56883	0.4
66.68946	0.4
74.94866	0.4
82.65775	0.4
88.98808	100.0
117.03565	0.4
119.05031	3.5
127.11724	0.5
132.71117	0.5
163.03978	3.3
193.27644	0.5
453.33881	0.7
467.81769	0.5
617.38623	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	707.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35737	0.4
54.60379	0.5
59.01379	7.8
59.01624	0.5
60.99311	22.0
69.43790	0.6
87.00928	1.0
88.98802	100.0
89.02419	1.0
99.30856	0.7
119.05025	4.7
134.03751	6.0
163.03958	5.6
193.05058	4.0
242.80884	0.6
245.18095	0.7
249.43106	0.7
453.33743	1.3
617.38098	4.8
647.39752	5.1
683.58881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26755	0.5
53.28477	0.5
53.83813	0.4
55.01896	0.7
57.03454	1.2
59.01383	10.7
60.99323	0.7
61.98837	0.5
62.41895	0.5
67.01899	3.4
69.03455	0.9
71.01384	8.2
72.99322	2.2
73.47384	0.5
75.00863	4.2
77.93583	0.5
81.03474	0.6
85.02952	15.0
87.00873	8.7
89.02441	3.6
93.03452	19.4
95.01388	1.1
96.96008	2.7
99.00864	4.1
99.04543	0.6
101.02455	0.8
103.00381	0.9
109.02977	1.1
111.00842	0.9
111.04520	3.6
113.02464	10.0
115.00367	0.6
115.18202	0.6
116.92844	1.1
117.01949	2.1
119.05019	7.0
120.99668	0.7
121.02951	35.7
127.04008	0.7
129.01921	0.8
133.02982	2.3
135.04533	2.5
137.02481	0.7
145.03014	0.7
146.96977	0.6
155.03523	0.8
161.02454	1.0
163.03970	5.6
173.04553	13.4
191.05635	100.0
192.05940	2.0
200.63046	0.6
231.48164	0.5
249.06166	7.8
296.34955	0.5
309.07797	0.6
337.09332	15.1
351.06989	0.6
353.08691	4.4
371.09875	44.8
381.22540	0.5
433.33411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.77468	0.2
71.01385	0.9
73.02959	1.9
75.00875	0.2
85.02975	0.2
89.02440	0.4
90.13735	0.2
99.00877	1.1
99.92581	9.7
101.02474	0.2
113.02448	0.2
114.93440	0.3
116.92861	100.0
116.97189	1.5
117.01936	2.1
117.92879	0.9
131.68430	0.2
160.21721	0.2
245.27057	0.2
517.34192	0.7
649.38318	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	707.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	4.8
56.19617	1.0
57.03461	1.6
58.49298	1.0
59.01387	28.2
61.98862	2.0
71.01385	32.6
71.01724	1.7
73.02942	17.3
83.01414	8.2
83.56678	1.1
83.66420	1.2
85.02948	18.1
87.00890	1.9
89.02448	16.8
95.01384	1.7
97.02948	2.3
99.00900	7.0
101.02446	29.3
113.02486	14.5
125.02470	1.8
131.03580	1.8
132.39757	1.3
143.03500	1.3
161.04613	2.3
192.46744	1.6
344.74298	1.2
351.31128	1.3
515.26788	6.2
578.87604	1.6
647.30811	100.0
648.31580	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	707.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87832	0.4
58.00622	0.7
59.01391	81.5
71.01390	14.5
72.99343	0.5
73.02961	1.2
83.01435	0.7
85.02987	2.7
87.00894	0.7
89.02454	22.6
89.03010	0.7
96.95992	1.8
101.02451	11.7
113.02472	9.3
119.03507	10.7
125.06090	0.8
143.03535	1.0
143.07166	5.0
161.04568	0.7
179.05606	1.0
201.39293	0.5
221.06432	0.7
279.10416	0.5
323.13522	100.0
324.13800	0.6
542.58911	0.5
570.43109	0.6
629.61560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	22.0
67.24561	3.6
71.01389	11.0
85.03000	7.0
88.51241	4.1
89.02431	7.1
93.03467	8.5
97.03008	4.9
101.02464	5.1
102.44410	4.2
102.65672	5.0
109.06625	17.7
111.04570	6.0
127.11292	52.9
134.03790	7.2
140.96461	9.8
143.15462	5.1
155.03537	8.1
163.11287	19.3
167.85133	4.6
169.38113	5.1
173.04495	10.7
173.11870	100.0
207.10327	41.9
209.11926	80.2
225.11348	22.0
227.12924	8.4
379.93887	4.8
461.20380	9.3
587.23285	47.6
619.22125	54.8
635.30811	29.2
647.24670	11.3
647.35168	6.5
653.32324	31.4
671.33228	37.4
707.30469	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	707.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
58.00600	1.9
59.01386	67.1
61.98828	1.3
71.01383	54.8
71.71140	0.9
72.99324	2.0
73.02946	19.4
80.32713	1.2
85.02964	10.9
87.00871	4.9
88.78931	1.2
89.02444	100.0
90.30007	1.0
95.01423	1.6
97.09317	1.2
99.00881	34.1
101.02448	35.2
113.02470	13.4
119.03529	13.5
125.02432	9.4
125.59064	1.2
131.03513	8.9
143.03529	2.2
149.04572	25.0
152.03563	1.9
161.04549	11.4
171.10258	1.2
179.05641	28.9
191.05650	9.2
193.92818	1.1
213.25647	1.2
221.06662	4.9
251.07777	8.5
263.07800	2.7
275.07776	2.8
281.64288	1.2
293.08792	5.4
371.12186	2.1
455.14230	1.8
474.50693	1.3
527.67181	1.2
647.29047	37.5
669.39856	1.4
670.66803	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	707.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99039	0.2
59.01381	1.1
61.59591	0.2
61.98836	0.3
70.17336	0.2
71.01374	1.2
78.95901	5.3
79.95724	2.1
84.60585	0.2
85.02956	0.3
88.69257	0.2
89.02426	0.5
92.10786	0.4
92.43478	0.2
96.96007	100.0
96.96896	6.2
100.55608	0.2
101.02425	0.4
116.92854	1.1
134.01483	0.2
149.71292	0.3
150.23453	0.3
174.88785	0.3
209.11819	0.4
303.50449	0.2
314.95169	0.2
382.89835	0.3
626.74805	0.3
647.36292	1.4
665.88647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.5
58.00614	0.5
59.01390	75.8
71.01385	13.4
71.01723	0.6
72.99329	1.0
73.02972	1.0
83.29723	0.5
85.02987	3.8
87.00897	2.3
89.02452	20.8
89.73289	0.5
93.03458	0.6
95.01421	0.8
96.96011	7.2
99.00900	0.8
101.02457	10.5
104.91225	0.6
113.02474	8.4
114.33026	0.6
119.03513	10.9
121.02974	1.4
128.72621	0.5
131.03529	0.8
133.65224	0.7
135.04517	1.3
143.03546	1.0
143.07137	4.8
149.04626	0.7
161.04529	1.2
161.08224	1.0
177.05582	0.8
179.05652	0.7
191.05630	3.5
211.78731	0.6
234.35622	0.6
311.07968	4.1
323.13556	100.0
381.54630	0.7
526.58820	0.8
713.96381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99648	0.1
59.01384	0.2
61.98857	0.2
64.90649	0.1
67.01887	0.2
71.01386	0.1
79.95729	1.8
85.02934	0.2
85.39365	0.1
89.02448	0.2
93.03426	0.3
96.96011	100.0
107.56129	0.2
127.40010	0.2
148.54417	0.1
151.00377	0.4
161.02477	0.3
173.04591	0.2
191.05623	1.5
205.86690	0.2
237.63979	0.2
255.03056	1.2
271.02478	2.3
300.02805	3.1
301.03497	0.9
507.21463	0.2
515.11731	0.2
609.14709	2.5
653.62463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98833	100.0
62.01480	0.1
63.99244	0.2
67.01871	0.1
71.01376	1.7
73.02945	0.3
73.82222	0.2
83.01375	0.2
83.31737	0.1
85.02972	0.8
87.00868	1.6
89.02436	1.1
91.96058	0.2
92.10037	0.3
93.03467	0.4
96.96030	0.3
99.00884	0.3
101.02470	1.3
113.02442	0.2
119.03473	0.1
121.02904	0.2
135.04510	0.3
161.02373	0.4
191.05626	1.8
192.06024	0.3
243.51408	0.2
339.04694	0.2
340.05292	0.2
349.23807	0.2
350.24500	0.2
351.24359	0.2
387.22662	0.2
514.10632	0.6
643.34155	0.2
644.33563	0.3
645.34204	2.4
646.34418	3.2
670.37421	0.4
706.33423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67927	0.9
54.82739	1.0
57.03447	1.7
59.01384	20.4
61.98832	15.8
63.32938	1.0
71.01382	15.4
73.02959	6.0
75.24648	1.1
76.43932	1.2
83.01382	2.2
85.02943	10.7
87.00895	2.4
89.02449	7.8
90.82182	1.2
92.10125	4.6
93.03448	7.0
96.95975	4.3
99.00881	1.6
101.02436	12.5
109.02962	1.4
113.02463	5.7
113.99606	1.1
116.92861	2.1
119.03464	4.9
120.43165	1.4
122.47341	1.1
131.03601	1.2
135.04541	2.9
148.46194	1.1
161.02422	8.7
161.04594	2.3
173.04564	1.6
179.03490	2.4
191.04042	1.5
191.05602	16.7
195.08228	1.2
267.06741	1.5
299.02170	1.5
339.05136	20.0
351.25455	1.6
472.32288	1.3
507.35083	4.4
513.10645	18.5
537.55859	1.6
645.35162	8.0
669.29266	2.3
669.40796	71.0
680.52667	1.4
705.38623	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	705.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42530	1.5
55.01911	1.6
57.75549	1.4
59.01384	23.0
61.98833	17.0
71.01385	18.2
73.02941	3.4
73.14455	1.4
77.38451	1.5
80.91648	1.5
83.01402	1.7
85.02963	11.7
87.00908	2.5
89.02432	13.1
92.10802	4.7
93.03446	3.9
95.01353	2.1
96.96021	2.9
99.00895	2.1
101.02453	16.4
113.02466	8.7
119.03515	3.1
135.04515	2.2
137.02438	2.8
139.11197	1.6
145.02968	4.0
146.03287	1.9
161.02501	6.5
191.05637	14.8
203.25435	2.0
271.02594	2.1
275.04642	1.7
276.25156	1.7
299.01678	1.8
306.25366	1.7
319.95810	1.8
330.97870	1.6
339.05145	9.7
373.30515	1.7
420.92868	1.6
478.09314	1.9
507.35269	6.3
513.10571	9.5
645.35748	2.7
669.40881	83.8
705.38745	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	706.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.2
56.93123	0.1
59.01388	1.9
60.01735	0.1
61.98843	100.0
63.35141	0.1
71.01395	1.9
72.01727	0.2
73.02959	1.0
83.01402	0.4
85.02972	1.1
86.03276	0.1
87.00880	0.2
87.04336	0.1
89.02474	1.5
90.02813	0.2
99.00897	0.4
101.02435	1.9
102.02794	0.2
103.02867	0.2
104.15142	0.1
113.02503	0.8
114.02799	0.2
135.66602	0.1
164.00880	0.1
173.31897	0.1
191.05597	0.2
209.53951	0.1
326.41565	0.1
349.23868	0.2
350.24252	0.5
351.24521	0.5
437.13254	0.1
466.11523	0.1
514.29895	0.1
643.33185	0.2
644.33728	0.5
645.34052	3.2
646.34387	4.9
702.72156	0.1
706.33685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.4
57.80224	0.2
59.01385	4.5
60.09227	0.3
60.45024	0.3
60.99282	0.2
61.98832	1.5
62.45872	0.3
71.01403	2.4
73.02965	0.4
80.02705	1.5
81.03471	1.9
83.05039	4.6
84.02197	0.5
85.02979	0.7
86.79257	0.3
87.00936	1.1
89.02467	2.2
92.65353	0.3
95.05064	0.4
96.96029	7.5
99.85130	0.3
101.02454	1.8
106.76407	0.3
107.41498	0.3
113.02457	1.3
119.03507	0.6
125.06092	0.4
135.04503	0.3
135.08176	0.4
161.04579	0.7
163.11301	5.1
165.12851	3.1
171.10268	0.6
175.07658	1.2
181.12325	0.4
191.05568	0.7
191.10750	1.5
209.11873	100.0
210.12289	1.1
227.12912	9.5
235.08272	1.3
253.09274	4.2
257.37506	0.4
339.04965	0.4
389.98840	0.3
445.20856	1.4
513.10376	0.7
637.32330	0.5
645.23792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03451	0.8
58.30433	0.5
59.01385	14.2
61.98575	0.4
61.98835	4.0
65.04031	0.4
71.01382	13.4
72.99330	1.1
73.02954	5.4
75.21018	0.4
76.26199	0.4
77.27227	0.4
83.01401	3.1
85.02956	9.6
87.00902	2.7
89.02451	6.9
93.03460	55.0
95.01392	1.2
96.96023	0.9
97.02969	0.8
99.00894	3.2
101.02444	14.3
108.02215	0.6
111.00870	0.6
111.04556	0.6
113.02451	6.6
119.03492	0.7
121.02966	0.6
123.04543	0.7
125.02451	2.3
131.03455	0.7
133.03033	0.8
135.04539	1.0
136.01685	3.1
137.02458	100.0
138.02773	0.7
145.02852	0.7
161.02429	2.2
161.04546	2.0
163.04047	0.7
163.19514	0.5
173.04588	0.6
179.03532	7.6
183.11404	0.5
191.05582	5.2
197.11919	0.6
201.11385	0.5
209.11841	0.9
221.04530	0.9
239.05624	2.3
242.81909	0.5
267.06622	0.7
281.06671	3.0
291.18265	3.2
295.06348	0.6
309.25061	0.5
339.05157	5.1
340.05838	0.6
341.08575	0.7
513.10461	5.1
667.39429	2.1
669.40765	18.2
705.29834	59.2
705.39063	13.2
706.29919	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	705.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85799	0.3
56.05267	0.3
57.03459	0.5
59.01392	1.8
60.99325	0.8
62.30540	0.3
67.01902	2.9
69.03468	0.5
71.01398	2.1
73.02922	0.5
77.03989	1.7
81.03487	0.8
83.05022	0.6
85.02970	3.5
87.00886	6.8
89.03977	0.4
91.05549	0.5
93.03466	22.1
95.05030	5.2
95.43723	0.3
96.96042	1.9
101.02483	0.5
105.03472	16.3
107.05040	2.6
109.02966	4.9
111.04539	5.6
114.39494	0.3
115.77792	0.3
117.03439	0.6
121.02980	0.6
123.04535	3.3
127.04028	0.6
127.07678	0.6
129.01953	0.7
132.02238	0.7
133.02962	100.0
134.03738	0.5
135.03499	0.6
135.04536	17.5
149.02516	0.5
150.03207	2.0
151.04037	0.8
155.03484	1.9
159.04501	0.6
161.02425	1.8
173.04567	18.9
174.04861	0.4
177.01944	28.1
179.03517	7.6
191.05640	34.8
195.08221	0.6
215.03662	0.7
215.05637	14.7
221.09300	0.4
223.07689	0.4
229.01463	0.5
267.06644	1.3
295.06033	1.6
307.08252	1.8
311.05487	0.5
339.05121	8.1
351.07281	40.4
353.08813	5.9
508.27316	0.5
513.10492	7.0
604.88525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30185	0.3
51.32767	0.3
55.01894	1.8
57.03459	0.6
59.01386	8.4
61.42175	0.3
61.66752	0.3
61.98835	0.4
63.83966	0.3
68.99821	0.5
71.01381	10.4
72.99316	0.6
73.02946	4.4
75.00877	0.3
83.01406	1.8
85.02950	5.1
87.00887	0.6
89.02437	4.0
93.03457	55.3
93.19512	0.3
95.01429	0.7
97.02979	0.5
99.00864	2.3
101.02442	10.7
108.02168	0.4
111.00863	0.4
113.02450	4.5
119.03493	0.5
121.02948	0.7
125.02442	2.0
135.04504	0.4
136.01691	2.5
137.02452	100.0
149.02467	0.4
151.04053	1.3
151.55069	0.4
159.02943	0.4
161.04599	1.8
163.03983	0.4
179.03511	6.5
191.03572	0.4
191.05579	0.4
221.04547	1.7
239.05721	2.2
281.06702	3.8
291.18179	2.7
336.30060	0.4
423.22855	0.4
573.26013	0.4
667.39044	0.6
669.40283	1.5
705.29791	70.5
706.29852	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	705.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41633	0.4
53.77309	0.4
55.59415	0.4
57.03450	0.5
58.00608	0.7
59.01385	100.0
67.01891	0.8
71.01376	1.0
72.73940	0.4
72.99320	3.2
83.05044	0.7
85.02945	2.0
87.00874	54.4
92.10137	2.0
93.03460	11.2
103.00374	48.7
105.03448	3.2
109.02959	2.0
111.04529	2.7
112.98814	2.1
119.04973	0.5
121.02954	86.9
123.04469	0.7
130.99864	41.5
133.02957	15.7
134.32867	0.5
135.04523	4.6
137.02409	0.7
147.04631	0.6
149.00945	0.5
150.03242	0.6
151.04021	0.7
155.03484	0.6
161.02425	0.9
163.03996	0.7
173.04555	31.1
177.01932	2.5
179.03526	2.7
191.05666	13.2
207.82442	0.6
229.01402	0.9
237.66180	0.5
249.05389	0.6
253.03575	60.6
254.04181	0.5
267.06708	1.2
293.12512	1.1
295.06128	2.3
309.15356	0.5
311.05505	0.5
321.03970	2.2
339.05130	7.7
351.07309	7.7
353.08798	1.9
423.11459	0.7
513.10394	9.5
706.43292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82540	0.3
57.03469	0.3
59.01387	2.5
59.07869	0.3
60.80597	0.3
60.99310	0.3
64.03773	0.2
67.01900	2.2
67.20436	0.2
68.71674	0.2
69.03485	0.2
71.01407	1.6
73.02967	0.3
81.03481	1.3
83.05025	0.5
85.02961	7.9
87.00879	5.1
89.02473	0.4
92.65280	0.3
93.03457	14.1
96.78632	0.3
96.96002	0.4
101.02453	0.3
109.02943	2.1
111.04533	2.7
113.02451	0.6
121.02997	2.1
127.04022	1.9
129.01926	0.4
133.02971	2.2
135.04523	2.1
145.02901	0.4
155.03523	0.4
159.04550	2.4
160.01685	1.2
160.83760	0.3
161.02448	5.5
165.59695	0.3
167.08656	0.4
171.03036	0.4
173.02348	0.4
173.04543	2.9
174.03163	0.4
179.03496	1.3
183.07893	0.3
185.02449	0.6
191.05630	44.5
193.06555	1.2
195.08194	4.0
196.05354	0.4
205.06625	0.5
206.07440	0.3
207.08287	0.3
209.06033	0.5
211.07654	2.5
220.05322	0.4
221.06128	4.0
222.06866	2.4
223.07697	6.8
224.04778	1.8
225.05510	0.4
233.06291	0.3
237.05573	2.4
237.94133	0.3
238.06354	1.4
239.07117	6.5
248.04854	0.6
249.05597	5.3
250.06398	1.8
251.03416	0.4
251.07138	9.2
252.04236	0.6
252.74843	0.3
264.04388	0.5
265.05093	4.4
266.05829	1.7
267.06650	16.5
269.08047	0.3
276.04248	0.4
277.05066	5.0
280.03729	0.3
283.06161	0.6
293.04581	4.3
294.05359	0.5
295.06137	16.4
311.05679	5.7
321.01270	0.3
321.04050	13.3
339.05133	99.6
340.05521	1.4
451.63193	0.3
487.12183	0.4
495.09506	1.6
513.10443	100.0
514.10498	2.5
526.24695	0.3
657.23279	0.3
669.25104	0.3
705.16803	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	705.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74756	0.2
51.96812	0.2
52.41553	0.3
55.28809	0.2
57.03464	1.2
58.00595	0.2
59.01388	3.5
60.29317	0.2
60.99326	1.8
64.58659	0.2
67.01900	5.9
67.02223	0.3
69.03479	1.5
71.01393	4.2
73.02958	0.5
75.98650	0.3
80.69668	0.3
81.03465	2.2
83.05054	1.8
83.16953	0.3
85.02450	0.6
85.02960	17.2
87.00879	14.4
88.98830	0.3
89.02465	1.1
89.03932	0.3
93.03458	41.5
95.05059	0.4
96.96011	1.8
98.49151	0.3
99.00887	0.6
99.04511	1.2
101.02460	0.5
105.03478	2.3
107.05021	0.3
109.02946	3.0
111.00881	0.3
111.04527	7.0
113.02473	0.4
119.05032	1.6
121.02930	2.4
123.04532	0.4
123.23165	0.3
127.04024	4.5
127.51229	0.3
129.01958	1.6
132.02231	0.5
133.02956	20.4
134.03748	3.6
135.04530	9.8
135.05502	0.6
137.02444	3.4
145.02942	0.3
147.00882	0.6
148.01668	0.5
149.02490	0.4
155.03513	2.4
160.01668	1.4
161.02454	79.5
163.04013	0.6
165.05641	0.4
170.01398	0.3
171.03043	0.6
173.04555	15.7
175.00371	1.4
176.01178	2.1
177.01924	8.3
178.02722	3.7
179.03519	8.2
191.05630	100.0
192.06088	0.3
215.05589	1.9
223.07793	0.3
239.07164	1.1
266.05661	0.3
267.06714	0.5
277.05066	0.5
295.06293	0.5
307.08502	0.4
311.05713	0.6
329.27151	0.3
339.05142	34.7
351.07251	7.5
353.08487	1.1
487.12729	0.6
513.10443	90.3
514.10669	2.0
705.16681	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	704.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98673	0.2
59.01390	3.1
60.22049	0.2
61.51059	0.2
61.98837	100.0
71.01392	2.9
73.02958	0.9
83.01376	0.2
84.64574	0.2
85.02966	1.1
87.00890	0.9
89.02449	3.5
90.02757	0.3
93.03468	0.4
95.01382	0.2
96.32366	0.2
99.00894	1.3
101.02444	1.5
113.02470	0.3
115.04094	0.2
119.03431	0.2
124.08565	0.2
125.02446	0.3
131.03473	0.3
132.10191	0.2
135.04535	0.2
135.08121	0.2
137.86336	0.2
144.74362	0.2
149.04637	0.2
161.04518	0.2
191.05597	1.4
224.96884	0.2
348.22610	0.5
349.23065	0.5
513.09991	0.3
564.73120	0.2
588.32104	0.3
641.31775	0.3
642.32227	0.4
643.32794	3.0
644.33044	6.3
704.31244	2.4
714.21716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.4
59.01386	4.6
59.47285	0.3
60.99335	1.3
61.56350	0.3
65.63421	0.3
67.01905	5.0
69.03481	1.8
71.01380	4.2
73.02949	0.7
81.03474	0.7
83.01420	0.5
83.05048	1.8
85.02961	16.0
87.00877	11.0
87.01357	0.5
89.02454	1.7
92.10851	1.2
93.03456	35.3
96.68603	0.3
96.96013	0.6
99.00901	0.7
99.04564	0.6
101.02427	2.5
105.00546	0.4
105.03497	0.7
109.02952	3.0
111.04517	6.6
113.02469	1.3
117.03402	0.5
119.05051	0.5
121.02956	8.7
123.04559	0.5
127.03997	4.2
129.01942	1.4
133.02957	9.3
134.03740	2.0
135.04530	5.5
137.02425	1.5
145.02942	0.6
149.02458	0.4
149.04602	0.4
150.03291	0.5
155.03557	2.0
161.02458	25.2
163.04053	0.4
171.03049	1.4
173.04565	10.9
177.01976	2.8
178.02773	1.4
179.03528	4.0
187.09799	1.7
189.01897	0.6
191.05637	100.0
192.06050	0.4
195.08177	0.4
211.07748	0.8
215.05544	1.4
221.06129	1.6
223.07591	1.8
224.67181	0.3
239.07135	3.8
249.05542	0.7
251.07211	2.2
265.05136	0.7
267.06622	3.2
283.06125	1.9
293.04486	0.5
295.06198	3.0
311.05676	6.6
321.04135	0.7
339.05121	34.3
351.07205	4.9
353.08856	0.5
487.12729	0.4
513.10443	67.8
514.10645	0.5
644.78003	1.5
645.28729	0.4
705.15509	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	703.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82718	1.2
59.01378	8.3
61.98835	100.0
63.58962	0.9
67.59409	0.9
70.75748	1.0
71.01395	6.0
71.56432	1.0
72.99333	1.6
73.02959	2.2
78.89091	1.1
83.94418	1.0
85.02962	4.4
89.02457	5.4
96.96073	1.2
99.00923	1.2
101.02445	5.3
113.02456	1.5
128.42159	1.2
136.52240	1.2
148.98288	1.1
149.52011	1.0
172.76953	1.1
346.77884	1.2
451.69962	1.2
481.35486	1.5
637.81213	1.4
643.32947	2.5
667.39288	27.8
703.37457	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	703.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76608	28.7
65.23518	28.9
65.57764	30.4
76.49602	41.5
79.51116	30.6
81.68615	31.6
83.14037	29.3
86.61503	36.7
92.10122	100.0
134.93747	38.7
139.22617	32.7
147.23392	32.4
249.31586	37.7
273.14825	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82900	0.3
56.57668	0.3
59.01388	8.2
60.01720	0.5
61.01816	0.4
61.98836	100.0
62.05852	0.2
66.53439	0.2
71.01385	5.9
72.01724	0.5
73.02954	3.0
74.03278	0.3
84.48205	0.3
85.02959	1.5
87.00854	0.4
89.02444	11.1
90.02778	1.5
91.02882	0.6
93.03467	0.4
99.00890	3.7
100.01225	0.6
101.01318	0.3
101.02424	3.2
102.02790	0.4
113.02478	0.5
119.03521	0.4
125.02450	0.4
131.03503	0.7
149.04539	2.9
161.04471	0.5
168.00677	0.5
191.05600	1.8
196.84959	0.3
235.74130	0.3
321.57791	0.3
624.31213	0.4
625.31531	2.1
626.31958	3.7
643.32764	2.5
644.33160	4.6
704.18695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33397	0.7
51.56449	0.6
55.01887	3.3
57.03463	2.9
58.00590	0.9
59.01387	27.7
61.98839	1.7
63.32505	0.6
66.83342	0.6
69.03047	0.6
69.03452	1.5
71.01383	28.6
72.99336	0.9
73.02950	11.4
80.96477	0.6
83.01399	6.1
85.02943	14.1
87.00896	3.9
89.02439	20.0
93.03458	9.2
95.01390	1.1
96.96001	1.2
97.02932	1.5
97.91095	0.8
99.00872	8.7
101.02444	23.5
108.14570	0.7
109.02969	1.0
111.00909	1.1
111.04541	0.9
113.02451	12.2
115.04015	1.0
119.03505	3.1
121.02962	5.5
125.02503	1.3
131.03529	1.3
133.02913	1.7
134.03676	0.8
135.04515	3.4
137.02376	0.9
143.03474	0.9
145.02911	1.5
149.04559	3.1
159.02985	0.8
161.02359	1.8
161.04558	4.6
163.04037	0.9
173.04596	6.1
173.05920	0.8
179.03522	1.1
191.05623	18.9
248.42285	0.8
265.04929	0.8
267.06662	1.1
293.04608	1.1
297.02795	0.9
311.05563	4.6
337.03558	1.9
349.23822	12.5
392.50681	1.0
452.01871	0.9
511.09140	1.3
511.29095	5.1
643.33533	100.0
644.33789	3.5
667.32269	4.3
703.15759	5.4
703.33826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02055	0.2
54.82430	0.2
55.01888	2.1
57.03459	1.8
58.00604	1.2
58.55575	0.2
59.01389	21.9
61.98839	0.5
68.99843	0.2
69.03464	2.2
71.01386	24.5
72.01768	0.2
72.99316	1.6
73.02950	10.2
75.00877	1.8
76.95679	0.2
81.03473	0.5
83.01394	3.3
83.05087	0.3
83.46255	0.2
84.02188	0.2
85.00727	0.2
85.02956	10.3
87.00883	39.1
87.20018	0.2
88.00009	0.2
89.02451	24.6
91.34254	0.2
92.10079	0.5
93.03490	0.4
95.01403	2.3
95.05009	0.2
97.02953	3.6
99.00887	9.6
99.04547	1.2
101.02454	14.3
106.80448	0.2
111.00884	2.1
113.02470	7.5
115.04022	4.2
116.92889	0.4
119.03504	0.5
119.05047	0.4
120.25723	0.2
125.02452	6.2
127.04002	0.4
129.01949	1.5
130.01134	0.2
131.03506	3.6
134.03760	0.3
135.08232	0.3
141.01958	4.0
143.03534	1.6
149.04573	3.6
159.03004	2.9
160.01668	2.3
161.02490	0.4
161.04576	1.8
163.04114	0.3
173.04625	0.3
175.04065	2.1
175.06140	0.3
191.05646	2.6
221.63179	0.2
233.06711	6.0
247.17165	0.4
271.20560	1.8
289.21701	1.9
291.07162	1.7
291.23340	2.8
293.08954	1.5
299.20001	0.2
301.21899	0.3
309.19107	0.2
309.24423	1.0
313.21741	0.5
313.98837	0.2
319.22949	0.8
321.95193	0.2
331.22861	0.3
333.20605	0.3
333.24326	0.9
335.22351	0.3
348.23123	3.8
349.23917	17.5
351.25516	2.2
361.23941	1.3
375.25449	1.2
395.55823	0.3
403.24899	2.9
421.26105	3.0
511.29239	3.1
643.33496	100.0
644.33887	3.7
703.32837	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	703.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	3.2
57.02806	0.4
57.03452	2.2
58.00607	0.9
59.01390	25.5
59.01692	0.8
59.02821	0.3
64.23254	0.4
65.10877	0.4
69.03454	0.7
71.01387	30.5
72.37318	0.4
72.99339	0.7
73.02950	12.9
75.00874	0.9
78.52978	0.4
83.01390	6.2
85.02953	12.9
87.00886	2.1
88.51170	0.4
89.02446	20.6
94.36030	0.4
94.85803	0.4
95.01389	2.3
97.02960	2.6
99.00876	8.5
99.04517	0.5
101.02441	26.9
101.03097	1.0
111.00890	0.6
113.02451	11.6
115.04015	0.9
119.03505	2.7
122.60716	0.4
125.02437	2.7
131.03528	2.3
145.95522	0.4
149.04541	2.6
152.67159	0.4
159.03012	2.0
161.04565	6.6
191.05669	1.7
233.06648	1.0
291.23257	0.7
349.23883	18.7
468.55164	0.4
511.29181	6.0
539.19556	0.5
643.33472	100.0
644.33997	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	703.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	3.5
56.43684	0.5
57.03457	2.1
58.00602	0.6
58.51802	0.4
59.01108	0.9
59.01395	20.0
69.03446	0.8
71.01391	26.8
72.99325	1.1
73.02952	12.7
76.00816	0.4
76.57716	0.5
81.03439	0.5
83.01388	5.6
85.02961	15.1
87.00871	2.1
89.02445	13.6
93.03445	0.6
95.01384	2.5
97.02940	2.8
99.00898	7.4
101.02451	28.3
111.00891	0.7
113.02455	9.6
115.03983	1.0
119.03534	0.8
125.02454	3.0
131.03461	2.3
143.03516	2.1
149.04556	1.1
159.03000	2.1
161.04570	5.8
162.89514	0.5
175.04057	0.6
191.05621	2.1
233.06706	2.1
291.23416	1.0
311.05844	0.5
349.23892	21.1
511.22379	0.8
511.29257	10.1
643.33508	100.0
644.33948	3.8
663.54028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19016	0.3
53.71841	0.3
54.10056	0.3
55.01882	0.7
57.03449	0.9
59.01163	0.4
59.01384	16.1
61.98835	20.4
71.01382	16.5
72.99309	0.8
73.02946	6.6
75.00875	0.7
76.23658	0.4
81.03487	0.6
83.01411	3.1
85.02956	7.9
87.00876	2.0
89.02442	15.1
93.03464	0.9
95.01374	0.8
97.02984	0.8
99.00880	5.5
101.02446	13.9
111.00855	0.6
113.02472	7.0
115.03986	0.6
116.92828	0.7
119.03518	1.6
119.04991	0.5
121.02973	0.5
123.25847	0.4
125.02433	2.7
131.03490	1.6
135.04494	0.5
137.02417	1.5
141.01883	0.5
143.03523	1.0
149.04533	2.4
154.81477	0.4
155.10757	0.4
159.03012	0.8
161.02417	0.7
161.04596	3.4
175.04057	0.5
191.05670	3.1
193.05048	0.4
197.04526	0.7
199.19041	0.4
221.06743	0.6
233.06720	0.8
251.04941	0.4
318.22989	0.4
349.23434	0.7
373.23819	6.1
441.40970	0.4
535.29095	0.6
562.29840	1.8
625.31378	0.5
637.34821	0.6
642.32440	1.5
642.81824	1.6
643.33105	17.2
643.82971	3.2
667.33575	24.9
703.31165	100.0
704.31287	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	702.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93314	2.2
61.98833	39.8
64.85558	2.1
82.95427	100.0
83.25930	2.6
84.00919	76.8
84.95140	4.9
91.26302	2.5
109.86664	2.1
119.05034	33.3
146.72202	2.6
163.04028	34.8
272.01419	2.5
332.05731	2.8
347.30667	2.5
359.30292	2.3
453.33804	14.1
529.17365	3.0
541.30548	2.4
617.38452	37.2
702.36780	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	703.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.8
57.03474	1.6
59.01388	25.5
61.98825	10.3
71.01382	26.8
72.99321	2.6
73.02957	12.6
75.00869	1.1
80.91705	1.4
83.01408	2.4
85.02950	14.2
89.02446	20.1
92.10763	1.4
93.03458	2.4
96.96049	1.8
97.02982	1.6
99.00894	8.4
101.02447	22.4
108.02287	1.1
111.00883	1.2
112.98626	1.0
113.02472	10.0
116.92839	2.5
117.03483	30.0
119.03548	2.4
119.05026	24.6
125.02480	2.2
131.03604	1.8
133.02977	1.9
135.04515	2.4
140.64345	1.2
145.02966	100.0
160.05380	1.1
160.21153	1.2
161.02440	4.3
161.04585	4.5
161.06044	1.4
163.04053	19.3
174.66945	1.1
175.04015	1.2
175.07698	1.5
191.05644	5.6
207.39661	1.2
240.60341	1.0
245.68375	1.2
259.30081	1.2
263.15131	1.7
366.36710	1.3
488.89114	1.2
496.90976	1.3
506.74963	1.4
511.29291	1.2
625.31934	7.8
643.33301	33.9
667.23395	4.1
667.36987	1.9
703.28143	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
60.01710	0.2
61.98835	100.0
63.99272	0.2
66.93351	0.2
67.95431	0.2
71.01387	2.6
73.02940	0.4
84.83241	0.2
85.02955	0.8
89.02446	2.1
96.96057	0.2
101.02446	1.9
113.02444	0.9
119.03532	0.4
125.02495	0.3
161.04594	0.5
163.18661	0.2
179.05615	0.3
181.83034	0.2
191.05646	0.4
192.96417	0.2
221.06473	0.2
317.21268	18.1
318.21613	21.5
323.09863	2.5
324.10324	1.1
641.40802	0.5
642.31604	2.2
642.41345	1.5
702.27991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.9
60.01712	0.2
61.58491	0.2
61.98835	100.0
64.34736	0.2
65.01940	0.2
67.04373	0.2
71.01386	1.4
72.01715	0.4
73.02957	0.6
85.02963	0.5
85.45184	0.2
86.69780	0.2
89.02455	1.6
96.89088	0.3
99.00881	0.3
101.02427	0.9
113.02455	0.4
125.02461	0.3
135.04643	0.2
151.32813	0.3
162.02521	0.3
165.11874	0.3
191.05634	0.5
319.22888	0.3
367.77432	0.3
388.56363	0.3
641.39899	0.6
642.31360	0.5
642.40460	1.5
666.38239	1.3
702.34827	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	702.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.1
57.03442	0.2
59.01382	3.5
61.98834	100.0
66.51972	0.2
71.01373	2.7
72.01714	0.2
73.02945	0.4
74.68348	0.2
75.00867	2.4
76.01218	0.2
81.34950	0.2
83.01389	0.3
85.02966	1.0
85.05278	0.2
85.31256	0.2
86.03302	0.2
89.02435	1.7
91.94804	0.2
92.76092	0.2
99.00867	0.3
101.02435	1.4
102.02734	0.2
113.02480	0.9
125.02471	0.2
161.04526	0.3
193.88239	0.2
404.93118	0.2
522.15753	0.3
626.33069	0.4
641.40607	0.4
642.35199	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	702.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26787	0.2
54.08437	0.1
55.01897	0.2
56.42393	0.2
57.03465	0.2
59.01394	6.2
60.01737	0.2
61.01822	0.3
61.88066	0.1
61.98841	100.0
62.59834	0.1
63.14952	0.1
71.01389	4.1
72.01725	0.8
73.01811	0.2
73.02933	1.3
73.38631	0.1
74.03262	0.2
77.67120	0.1
83.01390	0.7
84.01751	0.2
85.02939	1.8
86.03307	0.2
89.02442	4.3
90.02775	0.7
91.02876	0.2
92.10040	0.3
95.01392	0.3
101.02443	3.9
102.02785	0.8
103.02891	0.2
113.02462	1.8
114.02809	0.4
119.03504	1.4
120.03850	0.2
123.62256	0.2
131.03496	0.2
137.10535	0.2
143.03569	0.2
161.04591	0.8
163.05066	0.2
170.57535	0.2
179.05565	1.8
180.05949	0.3
210.62621	0.2
221.06706	0.4
222.07133	0.3
223.07060	0.2
223.81514	0.2
249.28592	0.2
250.53038	0.2
299.21017	0.2
371.31964	0.2
415.84668	0.2
565.01373	0.2
640.34332	1.0
641.34674	3.4
642.34839	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	701.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.9
57.03456	2.0
58.00603	0.8
59.01387	36.5
61.98837	4.2
65.50785	0.4
71.01381	37.5
72.99319	2.1
73.02950	8.4
75.60497	0.4
81.16709	0.4
83.01390	6.4
85.02950	18.8
87.00876	3.1
89.02445	22.5
95.01398	3.8
97.02962	0.4
99.00896	3.8
101.02445	27.6
109.58327	0.4
113.02454	17.3
119.03511	8.1
120.42235	0.4
125.02425	1.8
127.35905	0.6
131.03525	2.5
133.06802	0.4
135.83849	0.4
143.03510	1.8
149.04465	0.5
159.02953	1.9
161.04573	7.8
164.16585	0.4
179.05614	2.9
221.06694	5.4
244.63794	0.5
253.38545	0.5
256.06558	0.4
263.07617	1.0
272.86542	0.5
337.33325	0.5
479.30438	2.9
522.58905	0.5
641.35553	100.0
642.35370	0.8
663.36359	1.6
665.37738	0.6
701.33771	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	701.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16064	1.3
51.60198	1.1
51.95903	1.3
54.19439	1.3
55.29406	1.4
55.36533	1.4
55.99332	1.2
56.61472	1.2
59.01388	12.4
60.34190	1.5
61.98837	3.5
67.61988	1.5
92.10802	3.6
123.04504	1.8
134.03731	16.7
136.01656	46.2
136.63631	1.5
137.36127	1.4
138.33774	1.4
149.06033	2.6
151.04018	100.0
165.05698	1.7
193.05031	9.2
211.06152	53.2
261.16434	1.5
444.49210	1.8
453.33771	20.5
639.62170	1.6
663.40082	2.5
665.40735	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40108	0.1
59.01400	1.6
61.98846	100.0
71.01402	1.8
73.02970	0.6
74.22601	0.1
74.94650	0.2
85.02977	0.8
87.00888	2.3
88.01234	0.6
89.02442	1.5
91.02939	0.2
99.00903	0.9
101.02454	1.0
113.02489	0.2
119.05011	0.3
123.08183	0.2
125.02451	0.2
135.57942	0.2
191.05630	0.3
208.35423	0.2
249.43980	0.2
259.07910	0.2
293.83072	0.2
345.20645	0.3
346.21039	0.7
347.21625	0.3
387.54816	0.2
462.01660	0.2
624.31421	0.6
639.30450	0.3
640.30402	0.3
641.31213	2.5
642.31390	4.7
663.75769	0.2
702.29919	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	701.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01842	0.5
51.20535	0.5
51.94081	0.6
55.01896	3.2
57.03458	1.2
59.01389	35.4
61.98817	0.8
69.03463	1.6
71.01383	44.5
72.99320	1.2
73.02949	16.7
75.00883	1.3
81.03482	1.6
82.16567	0.6
83.01362	5.4
85.02955	17.3
87.00890	3.1
89.02446	29.1
95.01405	3.0
97.02950	4.7
99.00881	13.2
99.04530	1.1
101.02446	29.8
105.05518	0.6
111.00928	0.9
113.02454	15.6
115.03999	3.5
117.03492	0.9
119.03532	2.8
119.05069	0.8
121.02917	1.1
125.02437	8.5
129.01938	0.9
131.03494	2.7
135.04558	1.1
143.03531	1.3
145.02966	4.3
149.02383	0.8
149.04579	3.3
150.03278	0.8
159.02998	1.5
160.01602	0.9
160.05302	1.2
161.04576	8.0
163.04079	1.2
175.04025	1.0
175.07698	1.1
177.02061	0.7
191.05609	1.4
197.04578	1.2
227.21016	0.7
233.06635	9.2
289.10229	0.8
291.23529	1.0
293.08838	3.1
312.09778	0.8
317.27014	1.3
319.22739	1.2
327.12234	1.3
329.14050	1.1
341.08859	1.6
347.22443	1.3
365.23468	16.6
366.23459	0.7
371.22440	1.3
419.24405	1.3
440.27728	0.9
479.32520	4.2
509.27695	1.2
641.31342	100.0
642.32599	3.7
665.31635	7.5
665.60858	0.8
701.29681	31.0
702.29523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19405	0.3
55.01904	0.5
57.03448	0.5
59.01392	13.9
61.98856	0.5
65.37782	0.3
71.01391	12.6
72.99333	0.6
73.02954	5.5
75.00847	0.7
83.01409	1.9
85.02968	6.9
86.42328	0.4
87.00896	0.8
89.02451	13.6
95.01382	0.9
97.02965	0.7
99.00867	4.5
101.02444	11.4
113.02444	5.3
115.03994	0.5
117.03461	0.6
119.03497	1.0
119.05024	0.9
125.02409	1.7
131.03510	0.8
134.03752	0.4
135.04536	1.0
143.03542	0.8
145.02975	4.9
149.02547	0.5
149.04568	2.1
155.10837	0.5
159.02997	0.7
160.01636	0.5
161.04536	2.5
163.04077	0.8
166.42638	0.4
175.03961	0.5
179.03693	0.5
191.05640	2.7
233.06688	0.8
248.49721	0.5
365.23474	0.9
371.22345	5.6
479.32214	0.7
533.28107	0.7
641.30670	10.5
665.31824	21.9
701.29559	100.0
702.30090	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	701.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24248	0.5
55.01885	1.1
57.03458	1.0
58.00597	0.8
59.01384	71.4
60.01712	0.5
69.03447	0.9
71.01381	46.1
72.99302	3.1
73.02943	19.3
75.73734	0.5
83.01393	1.2
85.02958	5.9
86.99319	0.5
87.00871	0.9
89.02442	100.0
93.03456	1.2
95.01386	0.6
97.02970	1.0
99.00874	34.6
99.54819	0.5
101.02443	29.5
113.02448	8.0
113.61298	0.5
115.04034	0.6
116.28305	0.5
116.92904	0.6
117.60440	0.5
119.03497	4.9
121.31877	0.5
125.02451	5.8
129.05522	0.7
131.03506	11.3
137.02408	1.0
143.03511	0.8
143.12221	0.5
149.04564	32.4
150.29742	0.5
161.04547	3.4
191.05634	13.8
193.03261	0.5
198.10684	0.5
221.06621	3.1
251.07706	5.5
281.06577	0.8
293.08792	0.8
302.80939	0.6
311.09573	0.6
329.21469	0.6
491.26538	0.8
509.27811	0.6
553.26782	9.1
571.27838	0.8
583.27563	3.0
595.15552	0.7
623.30817	56.1
624.30750	1.2
641.31866	28.2
642.32190	0.7
665.30145	0.6
705.42310	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	701.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94600	1.0
59.01391	100.0
69.93518	1.4
73.10776	1.3
76.78054	1.3
84.95129	2.1
92.10130	1.5
97.19852	1.4
162.01863	1.4
290.47302	1.4
323.93286	1.6
342.89536	1.4
388.19745	1.3
438.13535	7.2
452.15021	2.7
453.15952	1.4
481.15247	55.3
482.16006	1.7
495.16937	23.2
497.18140	3.3
514.15082	1.9
525.14142	2.5
539.15619	3.3
540.16479	7.1
555.10315	1.9
555.18933	53.8
572.15723	28.4
586.17114	7.5
641.22760	31.1
668.81555	2.3
691.97919	1.6
701.24786	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03450	1.3
58.00614	0.6
59.01390	24.7
61.04963	0.5
61.98835	4.9
71.01392	23.4
72.99317	1.5
73.02957	8.2
75.00887	23.7
75.28999	0.5
83.01413	4.1
85.02979	9.4
87.00899	1.3
88.98790	0.9
89.02451	23.2
89.03912	0.7
92.10077	1.7
93.03453	4.3
95.01384	1.0
97.02975	0.9
99.00868	8.1
101.02462	18.2
104.99097	0.7
111.00912	0.8
113.02470	8.1
116.92879	0.9
119.03490	4.1
121.02963	2.7
125.02439	3.8
131.03484	1.6
134.03761	1.5
135.04539	1.7
136.07777	0.6
137.02428	3.9
149.02432	0.8
149.04552	4.4
149.06088	1.0
159.02873	0.8
160.01620	3.0
161.04539	4.0
166.02667	1.1
175.03999	2.8
177.01935	1.4
178.77710	0.7
179.03441	1.0
180.37392	0.8
191.05595	3.4
193.05017	1.4
233.06728	1.0
241.05064	1.4
256.07349	1.1
271.09729	2.5
282.06766	0.8
371.22388	6.1
440.37555	0.7
533.27240	1.1
625.31976	1.2
638.44312	0.7
641.31598	23.4
655.33441	1.2
665.31714	22.6
701.29578	100.0
702.29889	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	701.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19102	0.5
51.52729	0.5
54.01959	0.6
55.01880	0.8
57.03480	0.5
59.01390	19.1
69.03478	0.8
71.01386	21.1
72.36183	0.6
73.02943	7.6
75.00877	0.8
83.01385	1.3
85.02971	7.4
87.00902	0.8
89.02454	20.0
93.03487	1.5
97.02984	0.8
99.00882	6.3
101.02449	14.9
113.02466	8.9
119.03526	1.5
123.08161	0.8
125.02457	3.0
131.03566	1.6
143.03517	1.1
144.15446	0.7
149.04536	3.8
161.04587	4.0
167.83882	0.7
168.40804	0.9
179.45308	0.8
191.05627	2.8
233.06644	1.3
240.74545	0.7
285.76968	0.7
293.08688	0.7
316.70590	0.7
317.21478	1.2
341.08887	1.3
347.22372	4.2
371.22256	4.5
509.27524	1.5
610.38074	0.7
621.88281	0.8
623.30957	0.9
641.21021	0.8
641.31781	44.1
665.31885	24.8
701.29639	100.0
702.30151	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	701.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01389	2.5
61.98857	0.1
65.39582	0.1
67.01910	0.6
69.03487	0.2
71.01382	2.6
72.99326	0.2
73.02960	0.2
75.00890	0.6
81.03451	0.1
83.55749	0.1
85.02954	6.5
85.03451	0.2
87.00858	1.5
89.02447	1.6
89.41732	0.1
91.15036	0.1
93.03465	3.3
93.04027	0.2
96.96015	0.3
99.00892	0.3
99.04520	0.2
100.64508	0.1
100.67868	0.1
101.02444	0.2
109.02972	0.3
111.04510	1.2
113.02465	1.3
113.06081	1.1
115.00368	0.6
116.92876	0.3
119.05031	1.2
121.02959	4.7
122.03288	0.2
127.04043	1.8
135.04614	0.3
137.02428	0.2
145.02983	1.0
149.04556	0.2
150.03258	0.2
155.03456	0.2
161.04416	0.2
163.04004	1.4
171.03004	0.2
173.04535	1.9
175.25058	0.2
184.37247	0.2
189.83528	0.2
191.05643	100.0
192.05974	0.3
197.04521	0.3
200.48172	0.2
237.04088	0.3
239.36691	0.2
249.06235	0.2
260.19400	0.1
267.07211	0.7
337.09369	19.0
363.13031	2.5
401.98358	0.2
479.21661	0.2
623.30554	0.2
627.34857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82598	0.5
57.03458	0.4
59.01128	0.5
59.01394	4.4
61.98844	100.0
71.01398	4.2
71.20044	0.3
73.02953	1.6
74.59717	0.3
83.01427	0.6
85.02963	2.3
88.22784	0.4
89.02454	2.9
99.00860	0.8
101.02432	3.3
113.02458	1.6
125.02412	0.5
173.04543	0.8
175.03922	0.5
191.05586	1.5
213.79201	0.4
216.31606	0.4
250.75093	0.4
263.36069	0.4
266.17715	0.4
381.45987	0.4
425.87753	0.4
439.87054	0.5
639.39508	1.9
640.30560	1.2
640.40015	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	700.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03465	0.4
59.01391	3.7
61.98838	100.0
66.31721	0.2
67.97513	0.2
71.01386	4.2
72.01733	0.4
73.02940	1.6
83.01396	0.8
85.02943	2.0
87.00865	0.3
89.02447	2.0
89.02920	0.2
89.56868	0.2
94.14079	0.2
99.00885	0.9
99.81854	0.2
100.04246	0.2
101.02452	3.2
108.00980	0.2
108.35275	0.2
113.02431	1.2
119.03449	0.3
119.17433	0.2
199.51628	0.2
317.21204	0.3
345.30096	0.4
420.21692	0.2
460.94016	0.2
507.35764	0.4
508.36127	0.5
638.39185	0.4
639.39404	3.2
640.40125	9.8
700.38531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78145	0.5
57.03465	1.0
59.01390	8.2
60.95199	0.5
61.98831	0.9
71.01382	5.9
73.02966	1.2
75.00852	0.7
85.02965	7.5
85.33981	0.5
87.00887	2.4
88.98836	0.8
89.02454	4.5
93.03447	4.3
96.96014	1.1
99.00912	0.7
101.02435	2.6
109.02968	0.7
113.02534	0.8
115.00398	0.9
116.92872	4.3
117.92845	1.2
121.02950	5.2
127.04037	1.1
133.02940	1.1
135.04530	7.2
136.01631	0.7
137.02489	1.0
161.02478	5.2
165.05540	1.0
173.04510	1.1
177.05618	0.8
179.03514	4.6
191.05627	27.1
221.04634	1.1
234.03139	0.8
250.09517	0.6
263.03516	44.5
265.05176	0.9
271.02579	2.3
272.02759	1.3
281.76984	0.8
291.03137	0.9
300.02740	3.9
301.03146	2.5
302.03339	1.3
306.01477	3.0
307.02203	0.7
333.00531	1.0
334.01199	4.9
335.02036	100.0
336.02161	0.9
411.27039	0.6
459.13144	1.4
509.07303	2.6
611.15784	1.3
641.31970	1.3
701.13599	25.2
701.33325	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	699.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.1
57.03458	2.6
57.12626	0.2
58.00601	0.6
59.01387	23.1
59.70580	0.2
61.98830	1.1
67.87292	0.2
68.94692	0.2
69.03468	1.5
69.70329	0.2
71.01382	33.7
72.99300	2.3
73.02946	13.4
73.96343	0.2
75.00878	0.6
78.64812	0.2
81.03471	0.4
83.01387	6.0
85.02954	18.0
86.00104	0.5
87.00883	2.2
89.02444	14.1
94.94540	0.3
95.01371	3.0
97.02938	1.6
99.00876	6.7
101.02446	22.9
109.40424	0.3
111.00880	2.3
113.02459	13.6
115.04008	0.5
119.03487	1.9
125.02446	2.2
125.03243	0.2
129.01894	0.9
131.03514	1.5
141.01991	0.3
143.03496	1.0
149.04561	1.3
159.02998	2.7
161.04581	5.5
185.15440	0.4
191.05597	1.1
233.06671	1.2
291.74911	0.3
293.08676	0.2
299.25955	1.5
332.88602	0.3
345.30054	4.1
491.11765	0.3
507.35550	8.8
606.76630	0.3
639.39764	100.0
640.40234	3.3
699.33710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55516	0.5
55.99998	0.5
78.91913	0.7
80.91682	14.0
92.10851	1.0
117.03467	6.5
118.04207	0.7
119.05022	76.6
121.02963	3.6
131.05078	0.6
132.05806	14.9
133.06618	0.9
134.03702	0.6
145.02972	12.6
163.04013	39.7
175.04063	0.7
185.02225	9.6
297.94666	0.6
311.16357	0.6
325.50229	0.5
433.55499	0.6
453.33841	2.8
617.38617	0.8
639.36823	100.0
640.37170	4.9
697.98981	0.6
699.37006	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	699.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.3
57.03452	3.8
58.00604	0.4
59.01384	23.6
61.68370	0.3
61.98837	6.0
64.34549	0.3
66.57144	0.3
67.01878	1.3
69.03436	1.3
71.01381	28.5
72.99322	1.8
73.02948	13.3
75.00886	1.7
81.03481	0.9
83.01395	6.1
83.05060	0.5
84.02238	0.4
85.02956	17.8
85.03460	0.8
86.00104	0.8
87.00866	2.9
89.01926	0.6
89.02449	11.9
92.10106	1.2
93.03465	5.2
95.01390	2.7
97.02947	2.4
99.00877	7.0
99.04520	0.4
101.02451	25.8
104.33336	0.4
108.02221	0.4
109.02959	2.7
111.00896	4.4
111.04536	0.6
113.02458	11.3
114.80707	0.3
115.04002	1.6
116.23781	0.4
119.03471	1.3
120.87750	0.4
125.02438	2.7
125.35110	0.4
127.04021	0.5
129.01965	0.8
131.03514	2.5
133.02917	0.7
134.03746	0.8
135.04536	16.9
136.04810	0.8
137.02480	0.5
141.01979	0.6
143.03479	1.7
149.04535	1.6
152.03549	0.8
156.00790	0.4
159.02994	2.2
161.02415	0.8
161.04518	2.5
165.23633	0.4
171.13837	0.4
173.04526	1.4
176.04033	36.7
176.54214	5.1
178.02658	0.4
179.03514	18.2
180.03865	0.7
186.60269	0.5
191.05634	11.0
225.65276	0.4
233.06546	0.6
299.25879	2.2
345.30106	5.4
353.08789	2.2
407.83603	0.4
445.05426	0.5
507.35495	9.5
513.28687	4.4
514.28680	1.3
540.23242	0.4
639.39728	100.0
640.40112	2.3
663.35986	0.7
699.28705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3618
Annotation	Sileneoside H
Peak:m/z	Relative Intensity
54.82634	0.3
55.01886	5.8
57.03461	3.8
58.00589	1.3
59.01389	30.1
61.98835	2.2
69.03465	0.8
71.01385	40.9
72.99317	1.7
73.02952	14.9
73.03357	0.5
73.96340	0.3
75.00850	0.6
80.64927	0.3
81.03457	0.3
83.01392	7.2
85.02957	22.3
86.00082	0.4
87.00443	0.4
87.00871	2.2
89.02451	12.9
93.03399	0.4
95.01388	4.3
97.02966	2.4
99.00889	6.3
101.02448	39.1
102.70251	0.3
111.00902	1.2
113.02458	20.6
119.03518	4.7
125.02443	2.5
129.01938	0.5
131.03502	0.7
137.02451	0.5
143.03566	2.5
149.04533	0.3
159.03023	3.4
161.04581	11.8
179.05548	1.3
191.05565	0.4
191.82944	0.4
203.05978	0.3
245.06561	0.6
263.07697	0.8
268.44006	0.3
315.20029	0.4
315.23361	1.5
323.09903	0.5
477.28726	13.5
525.51825	0.4
639.33887	100.0
640.34308	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	699.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66692	1.4
60.07656	1.4
64.20425	1.4
64.63388	1.6
78.91895	1.9
80.91683	36.7
82.82243	1.6
89.02429	1.8
92.10798	5.0
96.64736	1.5
112.51160	1.6
117.03477	2.6
119.05028	100.0
132.05849	2.7
145.02963	7.6
163.04016	95.6
163.05394	3.4
214.19888	1.7
255.23083	1.9
342.53967	2.0
397.13498	4.1
453.27902	2.8
453.33807	45.7
454.33960	1.8
535.33997	5.3
617.38489	64.8
618.38550	2.6
639.36816	15.7
699.38690	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65497	0.4
54.13690	0.4
55.01894	4.0
55.59763	0.4
57.03475	3.6
58.00626	1.1
58.24772	0.3
58.86559	0.4
59.01394	52.2
69.03497	0.4
69.20246	0.5
70.99020	0.4
71.01389	45.0
72.99310	2.0
73.02953	11.9
75.00862	0.5
77.65556	0.4
83.01395	7.0
85.02957	18.2
85.03460	0.7
86.91019	0.5
87.00877	3.3
89.02447	34.8
91.87074	0.5
92.10121	1.0
95.01368	3.8
97.02947	0.8
99.00896	3.1
101.02446	38.1
107.67798	0.5
111.00922	0.5
113.02452	21.3
119.03500	11.9
125.02433	2.1
129.01895	0.5
131.03535	3.2
143.03513	2.7
149.04559	0.8
159.02992	0.9
161.04568	11.7
163.19090	0.5
179.05632	10.8
221.06671	6.4
240.01030	0.5
263.07718	2.3
263.50629	0.5
477.28503	2.1
639.33978	100.0
640.34076	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	699.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75140	0.7
51.25183	0.7
51.94608	0.7
52.48859	0.8
52.90350	0.7
53.04824	0.7
54.30295	0.7
54.82411	0.8
55.01888	3.6
57.03458	1.1
59.01109	1.6
59.01390	40.0
59.01691	1.3
61.98825	1.2
71.01389	32.3
72.99299	0.9
73.02947	14.7
75.00862	1.6
83.01398	5.4
85.02963	12.6
87.00875	1.3
89.02445	44.9
92.10176	2.1
95.01408	1.5
96.00544	0.9
97.02934	1.0
99.00906	13.8
101.02441	32.1
113.02455	14.9
115.04043	2.0
119.03510	5.4
123.08148	4.2
125.02452	4.1
131.03511	4.5
149.04532	8.2
161.04602	1.3
175.07674	1.3
191.05629	4.3
233.06728	1.2
304.68637	1.1
327.19711	11.5
345.20724	1.2
369.20853	2.1
489.24731	1.3
497.20609	1.3
531.26367	3.6
621.29309	30.3
639.30261	73.2
640.31012	1.9
663.30383	31.1
688.99017	1.2
699.28021	100.0
700.28302	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	699.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55558	0.6
55.01889	3.1
57.03465	1.4
58.00616	1.5
59.01394	57.9
61.98533	0.6
61.98838	5.6
69.03475	1.5
71.01391	37.1
71.01783	1.4
72.99322	4.9
73.02952	7.7
83.01398	3.9
85.02962	10.8
87.00891	4.8
89.02454	46.1
95.01396	1.4
97.02993	1.8
97.06588	1.4
99.00880	11.5
101.02455	25.3
107.01412	0.7
113.02463	11.5
116.92872	1.5
119.03510	13.4
119.05053	0.8
123.08186	5.9
125.02454	1.2
131.03522	4.1
133.02928	1.1
134.03743	1.5
135.04494	1.0
143.03514	1.5
149.04564	10.4
160.01659	1.8
161.02422	2.6
161.04564	0.9
163.03949	1.1
175.04007	1.1
179.05629	3.4
181.05168	0.9
191.05598	6.7
191.07193	0.9
193.05051	4.7
221.06657	1.2
251.07530	1.1
269.19067	1.1
287.20230	6.3
293.08676	1.0
311.09985	1.3
344.19870	1.0
345.20804	13.6
347.18542	1.3
347.22369	23.2
477.25134	3.1
637.27545	1.5
639.30292	100.0
640.30902	1.4
699.37512	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	699.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81684	0.4
59.01395	6.4
59.21089	0.5
60.99319	18.8
61.98844	0.9
71.01381	1.3
73.02967	0.8
85.02975	0.7
86.67467	0.5
87.00891	2.4
88.00441	2.7
88.98811	100.0
89.02451	12.8
90.23907	0.5
92.10783	1.2
96.70152	0.5
101.02457	1.2
106.18964	0.5
160.93954	0.5
259.30075	0.5
307.51276	0.6
329.23172	0.5
375.32770	0.6
434.65305	0.7
452.60742	0.7
480.86880	0.6
539.18768	0.8
610.33984	0.5
639.39447	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	699.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91963	0.2
55.01875	2.7
57.03453	2.0
58.00608	0.6
59.01386	21.7
61.98834	0.6
68.99839	0.3
69.03452	2.6
70.34627	0.3
71.01381	38.6
72.99331	1.2
73.02946	11.1
75.00888	1.5
75.99374	0.3
76.07100	0.3
79.72630	0.3
81.03479	1.4
83.01383	4.2
85.02951	13.4
87.00890	2.0
89.02442	20.3
90.05642	0.3
92.10119	1.1
95.01379	2.1
97.02950	4.1
99.00877	10.5
99.04465	0.9
101.02443	16.9
101.03097	0.7
109.02955	0.6
111.00915	0.4
113.02455	8.5
115.04014	4.7
115.18171	0.3
119.03448	0.5
125.02448	7.3
127.04033	0.6
131.03506	1.9
143.03519	2.3
144.19052	0.4
149.04568	1.7
152.01099	0.6
159.01643	0.3
159.02997	1.5
161.04535	4.0
173.04514	0.4
179.61223	0.3
191.05605	2.5
206.66991	0.3
233.06671	6.5
233.47072	0.3
235.04828	0.3
271.20700	1.9
278.09155	0.3
283.17053	0.4
289.21732	2.5
293.08838	4.2
299.20151	1.2
307.60452	0.3
317.21222	2.0
345.20660	4.4
345.63754	0.3
363.21829	22.9
364.22095	0.3
417.22867	0.5
507.26331	1.4
639.30334	100.0
640.30664	3.7
653.07343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.8
57.03451	1.8
58.00614	0.5
59.01389	41.4
61.98848	2.2
71.01390	36.6
72.99329	2.0
73.02953	13.8
75.00893	2.2
83.01376	3.8
85.02967	11.3
85.03456	0.6
87.00896	1.2
88.11187	0.4
89.02457	39.3
95.01426	2.4
97.02962	1.7
99.00887	14.5
101.01783	1.1
101.02452	26.8
103.06997	0.6
109.06617	0.9
113.02460	12.9
115.04028	1.9
119.03510	6.6
123.08186	6.1
125.02430	3.8
131.03546	3.9
133.79021	0.5
143.03513	1.1
149.04572	8.0
161.04578	3.5
161.05971	1.0
163.04099	0.5
175.03943	0.7
175.07603	0.6
191.05681	4.8
191.10815	0.6
233.06573	0.8
257.15512	0.9
309.18564	0.8
327.19730	9.2
345.20923	2.5
369.20740	3.1
453.65161	0.5
489.24341	0.6
497.20685	0.9
507.25992	1.0
531.26361	2.5
618.38385	0.5
621.29279	27.4
639.30298	58.1
645.29797	0.7
663.30377	32.9
664.30762	0.7
699.28052	100.0
700.28497	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	698.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.1
61.98837	100.0
62.86742	0.7
64.59486	0.7
66.54625	0.7
69.90678	0.8
92.10811	3.7
105.36594	0.9
116.92770	0.8
147.42931	0.9
214.94582	1.0
249.64343	1.0
395.78439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18263	0.4
56.36837	0.3
61.98839	100.0
64.40140	0.3
66.82871	0.4
71.21515	0.4
85.78551	0.3
92.10767	0.6
97.97784	0.4
121.02972	3.6
122.03304	1.6
156.01343	0.4
175.37769	0.4
181.05095	0.7
182.05493	0.5
278.79547	0.4
540.61768	0.5
637.40430	0.7
638.40942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75607	0.2
54.56620	0.2
61.98834	100.0
76.89436	0.3
83.84951	0.3
119.04964	0.4
163.03995	0.4
181.05103	1.4
182.05362	1.2
250.46565	0.3
362.50031	0.3
562.88776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48825	0.4
54.82956	0.8
58.56232	0.6
59.01386	6.9
60.99305	0.8
64.81541	0.6
65.00357	0.7
67.12845	0.8
69.93239	0.6
71.01376	6.5
71.58141	0.6
73.02937	1.0
75.51025	0.6
83.01411	0.8
83.50745	0.6
85.02978	2.8
87.00888	0.9
88.98823	5.6
89.02443	6.6
92.50126	0.6
93.03481	1.7
96.96016	1.7
99.00881	1.3
101.02442	3.4
107.01416	3.1
109.02985	1.2
113.02416	0.9
119.03461	0.7
121.02962	3.8
125.02430	1.0
132.02390	0.9
133.02953	0.9
134.03723	1.2
135.00893	1.0
135.04503	1.6
137.02473	1.0
148.01625	0.8
149.02486	0.8
149.04652	0.8
151.00397	11.9
151.04054	0.8
155.10747	0.7
160.01649	0.9
161.02446	2.8
161.04578	0.9
163.00363	3.1
164.04756	1.0
172.24055	0.7
173.04553	1.0
175.03995	1.3
177.02008	0.9
178.99892	4.1
179.03523	0.9
187.03946	0.8
191.05664	7.2
193.05098	1.6
226.02757	0.8
227.03545	1.3
243.03015	10.0
245.04594	1.0
254.02220	1.2
255.03032	24.6
271.02533	54.4
272.02982	1.4
283.02707	0.7
299.01913	1.3
300.02811	100.0
301.03583	35.1
370.10358	0.9
543.58746	0.7
609.14722	92.7
610.14844	1.1
621.29016	1.6
699.38464	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	697.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34821	0.3
54.83632	0.3
55.01889	3.8
55.02111	0.3
57.03453	2.0
58.00585	0.6
58.76540	0.3
59.01384	21.7
59.27543	0.3
61.98836	2.5
63.29689	0.4
69.03470	0.8
71.01380	30.7
72.99297	0.7
73.02943	12.7
73.03355	0.6
73.97618	0.4
75.00882	0.8
81.03445	0.5
83.01387	6.3
85.02947	15.1
86.00101	0.5
87.00843	2.8
89.02438	13.2
93.03481	0.8
95.01347	1.2
97.02965	2.0
99.00865	6.3
99.04514	0.5
101.02441	25.4
111.00874	4.2
113.02448	11.8
115.03983	1.4
119.03471	0.7
121.10226	2.3
125.02444	2.4
129.01938	0.5
131.03514	0.8
132.93416	0.4
134.03748	0.7
143.03510	1.5
149.04517	0.6
159.03001	2.5
160.01643	0.9
161.04602	3.6
175.03967	0.5
185.15439	3.8
191.05606	2.2
233.06660	0.7
343.28635	2.0
347.20914	0.5
505.33884	10.7
512.93787	0.4
560.83203	0.5
637.38208	100.0
638.38721	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	697.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90535	0.7
54.55923	0.6
55.01886	4.3
57.03459	2.0
59.01384	26.3
61.98840	3.9
68.61697	0.6
69.03467	1.0
69.28539	0.7
71.01383	32.5
72.99348	0.7
73.02945	14.4
75.00883	1.0
83.01379	6.8
85.02949	16.1
86.18635	0.7
87.00878	13.6
89.02439	13.0
95.01406	1.1
97.02957	1.8
97.06593	4.3
99.00886	8.4
101.02439	28.3
111.00915	1.2
113.02466	11.4
115.04056	1.7
119.03521	1.6
120.53770	0.8
125.02448	3.2
131.03468	1.2
148.57884	0.8
149.04597	1.1
161.04561	4.8
191.05583	3.5
208.57993	1.0
274.51422	0.8
343.28705	1.1
499.30655	4.6
505.34143	8.4
637.38269	100.0
638.38318	3.7
697.37317	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	697.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03443	2.4
58.00605	1.0
59.01389	26.2
68.93497	0.4
69.03471	3.0
71.01392	42.8
72.99330	1.9
73.02954	12.5
75.00883	2.0
81.03476	1.8
83.01417	5.8
85.02965	12.3
87.00900	2.3
89.02454	24.9
91.77332	0.5
93.03460	8.5
95.01402	2.5
97.02941	5.4
97.06591	2.2
98.35154	0.5
99.00883	11.1
99.04536	1.8
101.02455	16.5
110.88476	0.4
111.00871	1.1
113.02457	7.2
115.04021	5.2
118.45560	0.5
123.08187	3.7
124.98448	0.4
125.02441	9.9
125.05991	0.6
129.01837	0.5
131.03506	3.3
135.08035	0.5
137.02444	13.3
143.03461	2.4
149.04561	1.8
159.03044	0.9
161.04596	3.7
179.03526	0.6
184.15376	0.4
187.09755	0.8
191.05611	2.8
233.06702	7.7
239.05487	0.7
248.07401	0.5
267.89252	0.5
269.19098	0.8
287.20233	7.2
293.08841	5.5
297.18616	1.9
315.19626	4.3
343.19223	5.5
361.20291	33.4
505.24570	0.6
514.94171	0.6
637.28766	100.0
638.29047	2.6
692.56610	0.6
697.23505	6.4
697.34906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.6
57.03458	4.4
58.00596	0.7
58.44805	0.3
59.01387	35.5
61.98838	3.5
62.63964	0.3
69.03464	1.4
71.01384	50.2
72.99310	2.6
73.02946	17.3
75.00885	0.7
75.16408	0.4
81.03470	0.6
83.01386	10.2
85.02955	28.0
86.00056	0.4
87.00880	3.0
89.02445	15.7
92.10852	0.8
92.65376	0.4
93.03484	0.4
95.01396	5.1
97.02931	3.2
99.00881	6.6
101.02446	44.4
111.00872	0.8
113.02454	22.3
119.03506	5.0
119.04971	0.4
125.02424	3.4
127.04103	0.4
129.01857	0.8
131.03491	0.8
134.03741	0.5
137.02420	0.4
143.03484	2.7
149.04591	0.5
159.03038	3.1
160.01643	2.8
161.04578	14.4
175.03987	2.1
179.05537	1.4
191.05606	0.8
193.05077	0.5
221.06409	0.5
263.07657	0.7
283.83368	0.3
313.21692	2.1
329.14169	0.4
337.09311	1.5
475.27097	17.7
476.26318	0.4
561.94287	0.4
637.32263	100.0
638.32715	1.8
697.23108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82613	0.8
55.01894	1.6
57.03465	4.1
58.00603	1.3
59.01387	77.5
61.98837	16.0
69.03451	9.2
71.01383	79.3
72.59461	0.7
72.99324	4.9
73.02945	12.9
75.00886	1.7
81.03469	4.4
83.01410	5.1
84.95145	1.0
85.02956	15.2
87.00871	12.2
89.02444	100.0
92.10167	1.9
92.87817	0.7
93.03487	1.1
95.01394	1.7
95.05024	2.5
97.02958	12.0
97.06573	7.4
99.00884	18.3
99.04531	1.2
101.02447	20.0
109.02936	0.8
111.00866	0.9
111.04578	0.8
113.02464	10.4
115.04022	8.3
116.73952	0.7
121.06646	0.7
123.08154	15.1
125.02458	39.1
127.04047	0.8
131.03516	7.9
132.02197	4.7
133.41957	0.7
134.03722	6.8
135.04521	1.0
135.08151	1.9
137.02498	1.7
143.03514	3.9
145.05116	1.2
149.04605	14.2
150.03255	1.1
159.04536	1.5
160.01688	23.7
160.05280	5.9
161.04642	1.1
161.06075	1.2
163.06052	1.2
173.04576	0.8
175.04022	26.1
175.07573	5.6
177.05518	1.1
178.06339	2.4
191.05569	7.7
193.05060	5.9
233.06693	24.5
241.15791	1.0
269.19122	4.5
287.20227	18.4
293.08847	94.0
297.18625	1.3
313.18298	1.4
315.19669	4.2
328.65436	0.8
329.13953	8.2
331.19385	1.5
337.09366	13.3
343.19202	12.8
345.13647	0.8
345.20709	5.6
349.55133	0.8
357.20627	1.2
361.20218	11.1
366.97076	0.9
367.19409	0.9
373.20279	5.5
381.20792	1.0
385.20331	9.8
399.21884	6.5
427.21414	1.0
517.02838	0.8
637.28778	86.2
637.36835	3.6
638.29333	1.2
681.28558	0.8
697.25342	8.5
697.36371	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	697.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82285	0.7
55.01894	3.5
57.03465	3.0
58.00604	3.4
59.01385	94.5
60.30094	0.6
67.01887	0.8
69.03462	10.9
71.01382	87.9
72.35365	0.5
72.99313	4.5
73.02943	16.0
75.00885	3.1
76.98013	0.5
81.03470	5.0
83.01390	5.7
83.01819	0.5
85.02951	16.2
85.03438	0.6
87.00873	11.4
87.36671	0.5
88.98858	0.6
89.02442	100.0
93.03497	1.4
95.01406	3.1
95.05056	2.7
95.25893	0.6
97.02940	14.2
97.03477	0.7
97.06586	9.2
99.00883	18.2
99.04538	1.4
101.02444	22.0
103.00367	10.1
109.02970	2.6
109.06593	0.7
111.00912	3.3
113.02470	12.5
115.04003	11.7
119.03531	2.3
121.06610	1.1
123.08180	13.6
125.02451	39.4
127.04028	2.6
129.01872	0.5
131.03525	8.8
131.58409	0.5
134.03793	0.7
135.04512	0.8
135.08156	1.2
137.02477	3.3
139.79980	0.6
143.03508	4.5
149.04555	13.2
155.03566	0.9
161.02397	1.0
161.04562	1.2
163.06119	2.8
173.04564	1.1
176.01138	2.4
191.03847	1.1
191.05643	11.1
204.43192	0.6
233.06708	23.6
262.07532	0.6
267.17609	0.9
269.19180	3.7
271.20770	2.2
285.18552	0.9
287.20245	15.0
293.08838	88.5
294.09003	0.7
297.18555	0.9
298.47928	0.7
313.18060	1.0
315.19791	5.3
331.19223	2.7
341.17880	0.6
343.19156	10.7
345.20633	4.7
357.20825	0.9
361.20239	9.0
373.20325	5.4
381.20584	0.7
385.20258	10.6
399.21826	6.1
413.19656	1.1
415.21210	0.9
427.21378	1.4
441.22955	0.8
591.27716	0.8
637.28729	67.4
638.28973	2.5
697.36536	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	697.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11985	0.4
55.01897	0.3
59.01387	0.8
64.00135	0.3
71.01393	2.1
72.97516	0.4
75.11617	0.3
83.01348	0.4
85.02970	1.7
93.03451	54.5
96.96002	0.8
101.02460	0.8
137.02451	100.0
191.05617	9.5
214.16222	0.4
242.33838	0.4
299.07764	18.0
353.08878	0.8
577.17358	0.5
675.60242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.42598	0.2
83.05347	0.2
105.68402	0.2
119.05011	1.0
128.90503	0.3
163.04005	0.4
165.05634	0.4
168.29938	0.3
179.22701	0.3
188.16234	0.3
470.33798	0.3
636.39832	0.9
672.83258	0.3
706.38306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42797	0.4
59.01386	100.0
59.30610	0.4
61.02019	0.4
61.98834	2.2
72.56937	0.4
76.04562	0.4
84.84024	0.4
94.00529	0.6
101.56284	0.4
111.45758	0.5
121.02940	6.5
127.62762	0.5
161.11269	0.5
176.21419	0.5
191.03445	0.6
209.04582	2.5
240.41594	0.5
388.10327	0.5
402.90506	0.5
421.36975	0.6
487.34192	0.7
488.34720	0.7
489.35550	0.7
593.12830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.1
57.03460	1.0
58.00626	0.6
59.01389	30.0
63.21444	0.4
64.63138	0.4
67.01877	0.5
69.03471	1.2
71.01392	39.7
72.99325	2.5
73.02958	13.7
73.03358	0.7
73.38937	0.5
75.00893	0.8
76.21102	0.5
81.03495	0.8
83.01400	4.2
83.18082	0.5
85.02972	13.7
85.03460	0.7
85.57565	0.4
87.00898	3.1
87.93768	0.4
89.02451	28.1
93.03461	59.1
95.01385	3.9
97.02442	0.5
97.02961	4.8
97.06602	1.1
99.00889	16.4
99.04521	0.7
101.02452	19.9
111.00857	0.7
113.02457	11.5
115.04041	3.4
116.92873	0.5
119.03521	1.0
121.02948	0.8
123.08170	1.9
125.02454	8.7
125.06098	0.6
131.03522	3.6
134.03833	0.4
136.01675	4.1
137.02454	100.0
138.02818	0.5
143.03516	1.2
147.04669	0.5
149.04601	2.3
151.04034	1.0
159.03036	0.9
161.04584	3.5
163.04060	0.7
173.04601	0.6
179.03494	8.9
191.05687	4.4
197.05110	0.5
198.21165	0.5
221.04648	1.2
233.06699	4.2
239.05621	4.5
244.39577	0.5
281.06766	4.1
281.65216	0.5
287.20227	4.1
293.08817	3.6
297.18512	0.6
301.54346	0.6
315.19733	0.8
341.08813	6.4
343.19330	4.2
361.20255	19.6
505.24976	0.6
565.19257	0.6
637.28772	54.7
697.23657	51.1
697.35815	3.6
697.88489	0.6
698.23315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68285	0.7
59.01382	0.8
61.98840	100.0
63.16003	0.6
68.96220	0.6
71.87059	0.6
73.02088	0.7
73.61299	0.6
89.87189	0.7
94.52346	0.8
121.02992	0.7
126.34151	0.7
136.00360	0.8
179.52986	0.8
215.49564	0.9
394.91022	0.8
577.42792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82934	0.4
59.89201	0.5
61.98842	100.0
64.34792	0.5
70.86708	0.5
80.47770	0.5
90.05592	0.6
94.11780	0.5
133.02979	0.8
134.03725	2.5
134.51060	0.5
135.03476	1.0
135.04526	30.8
148.05321	3.7
161.02489	7.0
179.03523	21.7
188.84193	0.5
195.65489	0.6
297.88467	0.6
315.72717	0.6
376.34866	0.6
412.27811	0.5
453.33643	2.2
531.81506	0.8
633.38080	51.2
634.38708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69697	0.2
61.98835	100.0
63.54683	0.2
73.49744	0.2
78.11533	0.2
91.20657	0.2
96.58430	0.2
98.18100	0.2
108.84160	0.2
133.02951	0.8
134.03741	1.2
135.04530	14.5
141.85648	0.2
147.04398	0.2
148.05368	1.8
154.25758	0.2
161.02428	2.6
162.24260	0.2
179.02068	0.3
179.03526	9.2
179.05077	0.3
365.65674	0.2
382.69946	0.2
453.33810	1.5
528.90802	0.3
633.38104	21.6
634.38440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24502	0.8
57.03469	1.3
59.01397	9.1
60.99332	0.9
66.25691	0.7
67.01908	5.9
69.03485	1.2
71.01391	8.1
72.43832	0.8
72.99279	0.9
73.02964	1.1
73.99966	0.6
80.94702	0.7
81.03471	1.1
85.02963	11.8
85.97405	0.8
86.38159	0.7
87.00910	5.1
93.03461	31.7
93.04009	1.3
96.96035	4.7
103.00381	0.8
109.02975	1.4
111.00903	1.0
111.04533	7.5
113.02461	1.2
115.00382	4.6
119.03446	0.9
119.05054	6.1
121.02971	3.4
127.03997	1.6
132.34918	0.8
133.02980	4.1
134.03773	5.5
135.04538	91.8
137.02438	9.1
155.03526	5.3
160.01659	4.5
161.02454	8.1
163.04036	4.2
173.04573	100.0
174.04985	0.9
175.02492	8.1
175.04013	3.3
179.03529	71.9
179.38142	0.9
191.05646	72.5
193.05069	1.5
222.10828	0.9
240.61450	0.8
242.71400	0.9
251.05624	1.2
281.06750	1.4
302.87592	0.9
341.08847	1.1
353.08853	68.2
367.33417	0.8
473.16794	3.6
516.53589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14829	0.6
59.01391	100.0
70.46481	0.6
78.95927	6.2
92.10157	1.3
111.69669	0.7
114.04551	0.7
116.50967	0.7
116.92907	1.1
187.48360	0.7
205.16039	0.8
231.36395	0.7
233.50076	0.8
276.49832	0.7
305.83527	0.7
458.11673	0.9
596.69232	1.0
695.31293	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3618
Annotation	Cucurbitacin G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	6.0
57.03454	6.1
57.81797	2.4
59.01391	22.1
61.00031	2.3
61.68644	2.4
61.98848	2.6
62.79040	2.5
71.01394	42.3
73.02958	19.4
81.66502	2.7
83.01395	5.3
83.05037	5.5
85.02969	48.7
87.00885	3.4
89.02455	5.5
99.00887	4.8
101.02462	32.9
107.08362	2.4
111.04539	4.4
113.02442	11.8
114.78451	3.7
161.04488	4.9
191.05713	3.4
237.36902	2.9
268.65027	2.8
375.52829	3.1
379.63837	2.6
436.16232	3.4
518.80316	3.4
533.31323	22.8
635.36566	18.0
685.79486	4.3
695.36658	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	693.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34890	0.5
50.88426	0.5
54.83034	0.7
55.01886	1.7
55.10456	0.5
57.03447	0.8
58.00615	1.0
59.01385	46.5
61.98842	2.9
69.03471	1.0
71.01383	46.5
71.44438	0.6
72.93367	0.6
72.99322	1.3
73.02950	16.2
75.00885	0.7
83.01405	5.4
85.02955	15.7
85.03452	0.8
87.00893	4.3
87.04506	0.8
89.02441	45.3
93.03453	1.4
95.01406	1.3
97.02977	3.1
99.00884	16.1
101.02447	27.7
113.02452	14.3
115.04013	2.8
116.92867	1.6
119.03479	5.1
125.02431	5.1
131.03499	3.4
134.03691	0.9
135.04532	0.9
137.02448	1.3
143.03554	0.9
149.04581	6.2
150.69084	0.7
161.04575	4.1
167.10750	0.8
177.01874	0.8
191.05635	5.9
207.47801	0.8
209.11821	0.7
233.06815	3.4
293.08768	1.4
486.83368	0.7
501.30893	8.9
514.90753	0.8
521.34003	0.9
615.33838	1.2
633.35101	100.0
634.35107	1.6
655.38519	0.8
693.30432	3.1
711.91205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83216	3.0
58.00628	3.1
59.01379	3.0
61.98845	15.6
67.61206	2.9
72.99319	5.6
75.00864	23.5
100.20490	3.1
116.92873	5.1
119.05055	13.6
121.02962	37.4
125.83823	3.1
135.04523	38.4
163.04045	13.9
181.05070	30.8
187.50323	2.9
439.32208	17.5
453.33728	5.4
469.32828	3.6
537.76367	3.2
633.38190	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	693.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04445	1.7
57.14523	1.4
59.01398	12.9
71.79858	1.9
77.47751	1.5
90.60912	1.7
117.03483	3.8
119.05036	93.8
121.02981	3.6
127.98870	2.0
145.02957	14.3
163.04041	82.8
190.24767	1.8
207.85620	1.7
221.19656	2.3
268.46960	2.0
316.87930	1.8
469.33505	14.6
629.12653	2.4
633.38129	100.0
634.39398	2.3
716.03827	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	693.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67731	0.1
54.27159	0.1
54.44725	0.1
58.06312	0.1
59.01381	1.3
68.73184	0.1
71.01388	0.7
73.02959	0.3
79.94435	0.2
84.95006	0.1
85.02962	0.4
87.00872	0.7
93.03461	0.7
101.02444	0.9
103.00346	0.2
110.97698	0.1
113.02447	0.3
119.05032	100.0
120.05359	0.6
121.02952	0.9
133.02982	0.6
134.03723	0.7
161.04459	0.2
163.04030	74.8
163.93695	0.2
164.04378	0.4
173.04512	0.2
191.05655	0.8
193.05025	0.7
235.11967	0.3
325.09387	10.4
367.16260	1.7
430.75186	0.2
454.13000	0.2
643.92578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10320	0.2
54.83287	0.2
55.37592	0.2
59.01386	3.4
60.63237	0.2
62.80782	0.2
68.92848	0.2
71.01379	1.8
73.02959	0.4
85.02966	1.1
88.89252	0.2
89.02450	1.8
92.10882	0.5
93.03462	0.5
96.96014	0.3
101.02427	1.4
113.02467	0.3
119.05021	100.0
120.05318	0.6
133.02943	1.0
135.04543	0.9
140.85941	0.2
161.04552	0.3
163.04012	77.8
173.04552	1.8
175.97661	0.2
191.05614	1.3
207.87352	0.3
229.02608	0.2
233.61343	0.2
282.51877	0.3
323.13361	2.0
324.13748	1.8
325.09341	10.5
325.13583	0.7
351.07227	0.3
367.16006	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	693.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32957	0.2
54.83025	0.3
55.01891	0.3
59.01399	1.2
69.36343	0.3
71.05042	0.3
73.02951	5.5
75.00877	0.5
99.00885	2.9
99.92581	10.9
116.07178	0.7
116.92865	100.0
117.01945	4.5
117.05602	2.5
117.92891	0.4
151.05595	0.3
225.55319	0.3
225.99374	0.3
282.38373	0.3
428.79459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82744	0.2
59.01396	1.3
71.01390	1.0
73.02962	1.5
82.63663	0.2
84.74898	0.3
94.04152	0.2
99.00871	0.6
99.92590	11.7
109.67342	0.3
114.93475	0.3
115.71074	0.2
116.92872	100.0
117.01955	1.3
117.05585	0.6
135.04515	0.3
141.98228	0.3
149.69836	0.3
174.33313	0.3
179.03514	0.3
343.97455	0.3
348.93463	0.3
362.12247	0.3
419.08353	0.3
472.07718	0.4
595.44788	0.3
621.45575	0.2
633.36292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47059	0.3
59.01391	2.3
59.52071	0.3
64.34803	0.3
69.39428	0.3
71.01410	0.4
72.46355	0.3
73.02945	1.4
75.00882	0.5
84.68311	0.4
88.57878	0.3
89.02406	0.4
89.44604	0.3
90.77650	0.4
96.02663	0.4
99.00909	0.6
99.92580	12.5
101.02439	0.4
106.09659	0.4
116.92863	100.0
117.01931	0.8
217.19339	0.4
411.10471	0.3
480.39102	0.4
532.49396	0.4
722.89404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	1.2
59.01392	11.6
60.99324	1.7
61.98864	1.4
67.01902	8.1
69.03477	3.8
71.01390	11.4
73.02959	4.0
80.91729	1.1
81.03454	2.0
83.05045	1.9
85.02953	12.2
87.00884	11.3
89.02470	4.5
89.87158	1.0
92.10160	1.6
93.03461	55.5
95.01428	1.0
96.96023	3.5
99.00895	2.0
99.04559	1.8
101.02472	4.0
105.03484	1.1
109.03002	4.3
111.00873	0.9
111.04545	9.3
112.26974	0.8
113.02470	2.1
119.05025	1.1
121.02935	1.1
125.02408	1.4
127.04063	3.1
129.01860	1.2
131.03687	0.9
132.02191	8.9
133.02966	19.5
134.03746	7.1
135.04539	23.0
136.01672	1.4
136.04869	2.0
137.02463	4.7
145.02966	3.7
146.03804	1.2
149.04576	1.3
149.06012	0.9
151.04033	1.1
155.03514	1.6
160.01672	24.1
161.02448	10.2
161.06039	1.0
162.03233	1.0
163.04027	1.3
171.03036	1.4
173.04572	22.4
175.03990	8.2
177.01933	6.1
177.05563	1.3
178.02724	4.8
179.03477	14.0
180.04092	1.2
185.02415	1.0
191.05629	100.0
193.05074	10.5
203.03584	1.0
215.05643	1.5
216.04123	0.9
220.03693	1.9
241.04961	0.9
271.09653	1.1
313.02643	0.9
321.07831	4.5
337.09320	1.9
339.08838	5.6
351.03525	1.4
351.07178	11.2
367.10315	4.3
381.09811	4.9
501.14206	7.4
513.14209	15.3
693.20251	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.9
67.81106	10.3
76.66926	10.2
93.61292	10.4
113.90389	10.9
117.81509	10.6
132.84814	11.4
200.69243	11.3
407.32971	10.9
414.49902	11.8
427.19687	10.8
451.32364	80.9
453.34058	100.0
485.36304	64.4
521.71234	12.5
591.70056	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	693.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13858	0.3
56.71862	0.3
59.01384	0.7
62.56385	0.4
67.01906	0.4
71.01405	0.4
85.02969	4.8
87.00892	1.4
89.03984	0.7
93.03448	3.7
94.22072	0.3
105.03474	2.3
109.02972	0.7
111.04540	0.5
114.38454	0.4
119.05045	1.5
120.05318	0.3
127.04007	1.3
131.03500	1.4
133.02959	9.5
135.04533	1.2
149.02361	0.5
153.32074	0.3
161.02466	1.6
163.04025	2.1
164.04369	1.3
171.03020	0.5
173.04533	2.1
176.01169	1.7
177.01944	100.0
178.02248	1.2
179.03563	0.7
185.01752	0.3
191.05638	54.4
192.05978	2.2
193.06139	0.7
203.71890	0.4
212.71594	0.3
215.05658	1.5
339.07251	23.4
351.07339	2.9
353.08844	3.9
416.21677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03442	1.3
57.03461	1.3
59.01389	29.8
60.99550	1.6
61.98832	22.3
71.01382	20.0
73.02947	7.5
83.01406	1.5
85.02951	8.0
87.00856	2.0
89.02445	21.8
92.10062	2.0
92.65422	1.5
93.03471	1.7
95.01312	1.5
97.02949	1.7
99.00855	8.5
101.02439	19.4
113.02445	7.8
113.83663	1.5
119.03475	2.6
125.02396	2.3
133.02899	1.5
135.04498	2.4
149.04552	3.1
150.03148	1.8
161.02397	3.1
161.04553	2.4
175.03992	2.1
179.05655	1.5
183.76199	1.7
191.05618	9.0
323.09897	3.1
331.22629	2.9
472.56967	1.6
499.80078	1.8
513.13342	1.9
631.33246	6.3
653.37604	23.2
654.37634	3.1
655.31458	12.3
691.31018	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	691.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97743	4.4
58.34269	4.7
59.01385	100.0
61.98840	53.0
70.94608	5.4
71.01389	84.3
73.02951	14.5
83.51774	6.0
85.02963	34.3
87.00880	7.9
89.02443	80.5
93.03435	12.0
98.69244	6.5
99.00879	22.2
101.02419	62.5
109.59724	6.5
113.02460	25.8
133.02887	6.6
135.04529	12.0
136.87712	6.1
149.04660	5.9
149.05998	6.6
161.02434	30.1
165.01944	9.3
175.04007	6.8
177.01967	6.1
191.05638	47.4
198.75937	5.6
203.36975	6.5
287.09183	13.7
317.10431	9.2
444.39609	6.6
631.34082	55.6
653.37952	54.4
655.33606	52.4
691.35638	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82368	0.7
59.01383	7.7
61.98840	8.1
71.01399	6.5
73.02955	3.1
74.34372	0.7
81.03447	0.8
83.05041	4.4
85.02960	3.0
89.02447	5.7
99.46550	0.7
101.02441	5.5
101.28678	0.8
113.02508	1.7
125.09795	0.8
127.11253	1.0
134.98399	0.7
135.08153	3.2
138.75111	0.8
163.11325	3.4
165.12799	1.3
171.10269	1.1
185.98343	0.9
201.11346	21.4
209.11870	100.0
227.12943	8.3
235.08261	1.3
250.53636	0.9
253.09276	5.8
259.37582	0.8
400.59985	0.7
437.20267	1.1
445.20688	1.1
477.30667	1.3
631.33618	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	691.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35890	0.4
57.03455	0.5
58.30678	0.4
59.01395	2.4
63.63385	0.4
71.01415	1.0
85.02962	13.7
86.58117	0.5
87.00895	1.0
93.03458	5.7
96.02056	0.5
96.96033	0.8
109.02975	0.6
111.04556	3.6
119.05035	52.2
127.04050	2.2
131.03531	0.5
133.02989	2.5
135.04544	2.6
145.02946	1.2
147.03017	0.9
155.03543	1.9
161.02397	1.1
163.04033	64.5
164.04420	0.5
165.01918	5.3
165.23003	0.5
173.04572	4.8
179.03568	2.2
180.04367	4.2
191.02013	2.5
191.05650	100.0
192.06018	1.1
195.06642	6.6
225.07745	0.8
230.20380	0.6
259.86069	0.6
293.06717	0.6
302.07159	0.5
337.05298	1.0
337.09378	29.2
337.15332	0.9
338.09851	0.7
351.07358	1.0
353.08731	5.9
453.86194	0.6
469.17105	2.7
545.06158	0.7
574.07025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2652
Annotation	Maytanbutacine
Peak:m/z	Relative Intensity
50.33365	0.1
50.70552	0.1
56.01576	0.2
59.01390	2.1
60.13935	0.2
61.98825	0.5
71.01384	1.8
72.37528	0.2
73.02940	0.9
78.95908	3.5
79.95737	2.0
85.02984	0.4
89.02441	1.5
92.65491	0.2
93.03439	0.3
94.69442	0.2
96.96012	100.0
96.96892	3.7
99.00909	0.4
101.02444	1.1
113.02484	0.4
119.03544	0.3
123.04999	0.2
135.04570	0.2
149.04532	0.3
160.31642	0.2
191.05609	0.7
375.94391	0.3
631.33093	0.9
653.37476	1.3
654.38086	0.3
655.39398	2.6
691.36035	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	691.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.7
57.03455	0.5
58.00612	1.7
59.01389	63.2
64.00725	0.3
71.01386	27.1
72.99317	1.6
73.02952	0.5
74.72760	0.3
83.01415	1.6
84.31573	0.4
85.02945	6.7
85.03386	0.4
87.00888	3.9
89.02448	37.7
89.19057	0.3
89.60179	0.4
93.03452	0.8
95.01389	2.6
99.08189	0.5
101.02448	19.5
103.00420	2.0
113.02460	12.6
119.03503	14.5
121.02958	4.0
130.99883	1.8
131.03535	0.7
131.07344	0.3
133.02982	0.6
135.04558	1.6
143.03558	0.9
143.07112	0.5
150.03297	0.4
161.08299	0.9
165.01927	0.5
173.04576	2.4
179.03510	1.6
179.05615	0.8
180.04266	0.7
191.05627	8.3
195.06647	1.9
240.20328	0.4
253.03606	2.1
255.10237	0.7
323.13547	100.0
324.13904	0.7
353.08777	1.5
469.17044	0.5
486.05099	0.4
673.57440	0.4
691.18250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
59.73680	0.2
60.99325	0.4
62.00231	0.2
62.93712	0.2
66.96698	0.2
67.01898	1.9
69.03468	0.4
71.01392	2.1
73.02957	0.3
80.16935	0.2
81.03447	0.5
81.84728	0.2
83.05040	1.0
85.02953	8.9
87.00877	4.5
92.10168	0.7
93.03455	14.6
96.96035	0.3
99.00864	0.3
99.04557	0.4
101.02448	0.2
107.05007	0.4
109.02960	1.1
111.04521	3.4
113.02457	0.3
127.04018	2.7
129.05573	0.2
132.02220	0.4
133.02954	2.5
134.03734	3.4
135.04532	45.8
136.04778	0.2
137.02452	0.2
141.26280	0.3
143.03474	0.2
144.04312	0.2
155.03511	1.3
160.01668	3.8
161.02457	9.2
171.03033	0.5
173.04536	4.8
173.08110	0.3
175.04034	5.0
179.03513	33.8
180.45789	0.2
191.05634	100.0
192.06133	0.5
193.05093	1.7
235.40747	0.3
260.87152	0.2
319.04294	0.3
323.07751	1.1
337.09406	2.5
341.08978	0.4
353.08826	3.8
367.10294	1.4
473.14694	1.7
499.12766	0.9
515.13849	0.3
517.13623	2.5
531.83173	0.2
540.96167	0.2
691.18890	25.0
692.19617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03487	0.8
58.07491	0.5
59.01387	6.5
61.98851	3.1
67.01917	2.9
71.01395	5.4
73.02950	0.6
75.42567	0.6
78.91908	1.4
85.02509	0.6
85.02946	4.5
87.00905	2.6
89.02459	2.8
93.03458	18.2
93.04009	0.9
96.38356	0.7
96.96053	1.5
99.00922	0.8
101.02448	1.4
107.05015	0.7
109.02986	1.0
111.04542	4.5
113.02464	2.4
117.03474	1.2
121.02982	0.6
123.04476	0.6
127.38042	0.7
132.02174	0.7
132.54701	0.6
133.02980	2.6
134.03752	8.5
135.04532	100.0
137.02455	3.2
149.04462	0.6
149.06068	1.2
155.03494	2.6
160.01706	6.1
161.02472	8.1
173.04565	30.2
175.03999	12.7
179.03506	61.8
191.05632	12.4
193.05061	4.0
239.11809	0.9
265.07571	0.8
296.41632	0.6
323.07727	0.9
337.09406	9.3
341.08853	2.6
353.08966	1.4
361.10886	0.7
473.14288	7.4
517.13422	12.8
645.34192	1.1
691.18909	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	691.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76034	0.2
52.91186	0.2
54.35185	0.3
59.01386	3.0
61.98820	0.6
67.01896	0.7
68.38871	0.3
68.72635	0.3
69.03445	0.3
70.25014	0.3
71.01392	2.7
73.02942	0.5
78.51214	0.3
79.95740	1.6
81.03465	0.5
83.01352	0.3
83.05045	0.4
85.02954	15.9
87.00888	3.2
89.02481	0.5
93.03460	6.8
96.96011	76.2
99.04494	0.5
101.02463	0.5
108.02225	0.3
109.02966	1.3
111.04536	2.0
117.03482	1.4
127.04021	3.8
132.02202	2.0
133.02956	12.2
134.03754	3.8
135.04535	6.9
137.02412	0.5
149.06094	0.5
155.03503	0.5
159.04648	0.3
160.01672	5.0
161.02461	58.3
167.11227	0.3
171.03018	0.5
173.04561	2.1
175.04012	8.5
179.03491	3.3
191.05644	100.0
193.05031	3.1
206.27243	0.3
225.17096	0.3
227.03500	0.5
255.02945	1.5
276.32315	0.3
283.10291	0.3
284.03345	1.7
285.04117	1.9
323.07901	2.7
337.09338	4.5
353.08902	0.5
473.14478	1.2
499.12570	26.7
500.13058	0.5
515.14203	1.5
517.13464	1.3
593.15283	2.3
691.18976	8.4
691.30316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29866	0.5
54.90536	0.5
55.87673	0.5
57.36097	0.7
58.57723	0.6
59.01384	6.1
61.98841	100.0
64.22089	0.6
65.92718	0.6
71.01408	5.2
73.02946	1.6
85.02975	0.9
89.02454	3.6
91.49162	0.6
101.02446	2.9
170.11729	0.8
176.62770	0.7
191.05620	1.6
200.19423	0.6
455.49094	0.9
511.53229	0.7
629.35156	0.9
630.34912	0.9
654.37115	3.6
655.16687	0.9
690.34229	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	691.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45647	0.2
57.39054	0.2
59.01399	1.3
60.99331	0.3
67.01900	2.6
69.03458	0.6
69.06143	0.2
71.01396	1.3
76.57247	0.2
81.03471	1.1
83.05051	0.4
85.02959	7.7
87.00877	4.5
93.03461	19.6
109.02966	0.4
111.04531	3.0
127.04025	1.9
129.01950	0.4
133.02966	2.2
134.03705	1.9
135.04535	24.0
137.02458	0.5
151.04025	0.2
155.03514	0.3
160.01659	1.2
161.01096	0.4
161.02457	9.9
171.03018	0.4
173.04549	4.2
175.03992	1.5
179.03517	14.8
191.05643	100.0
192.06023	0.4
193.05072	1.0
347.02249	0.3
353.08853	4.3
395.09805	2.3
515.14539	3.0
658.81628	0.3
691.19006	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	690.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87096	0.2
55.01883	0.3
57.03465	0.3
57.28827	0.3
58.02026	0.3
59.01389	3.4
61.77371	0.3
61.98840	100.0
62.29880	0.3
64.07227	0.3
71.01387	2.5
73.02961	0.7
78.65909	0.3
79.43870	0.3
80.05067	1.6
85.02953	0.7
89.02444	1.2
99.00917	0.3
101.02435	1.8
113.02460	0.6
122.06090	0.7
132.04573	2.6
132.17462	0.3
150.05612	6.9
151.96141	0.3
161.02361	0.3
185.21838	0.3
191.05577	0.6
194.04564	4.4
233.86555	0.3
234.74631	0.3
241.68896	0.3
548.24420	0.3
629.34229	1.8
630.27576	2.4
630.34863	2.5
630.84979	0.4
654.37329	0.4
690.33502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37869	0.2
54.14390	0.2
55.01889	0.2
56.45120	0.2
59.01386	2.2
61.98834	100.0
62.12004	0.2
66.55952	0.2
70.08006	0.2
70.83582	0.3
71.01385	2.4
72.01696	0.2
73.02950	1.1
74.53283	0.3
83.01400	0.4
85.02947	0.9
89.02450	1.0
95.01313	0.3
99.00911	0.4
101.02440	1.8
113.02455	1.3
114.02789	0.4
135.04610	0.3
171.10225	0.4
181.23932	0.3
209.11826	1.2
238.69571	0.3
613.75836	0.3
628.34552	0.5
629.34625	2.5
630.34711	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	689.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.6
57.03447	1.9
58.00605	1.3
59.01387	23.8
61.98834	17.4
63.13910	0.9
63.68003	1.1
71.01385	34.5
72.70865	1.0
73.02951	15.6
75.00881	1.1
77.81966	1.1
81.98209	1.2
82.72990	1.1
83.01400	7.3
85.02964	19.1
87.00867	1.8
89.02444	14.4
93.03450	1.7
95.01431	1.7
96.95995	12.1
97.02968	1.4
99.00897	5.6
101.02437	31.3
109.19135	1.2
113.02445	17.8
114.67203	1.1
119.03367	1.3
119.60233	1.1
125.02432	2.0
131.03554	1.4
149.04619	1.3
159.02959	1.6
161.04602	9.6
171.10272	4.5
189.09106	1.1
191.05627	4.7
206.11043	1.2
208.23007	1.4
209.11871	8.8
225.11407	1.2
335.00406	1.3
335.25885	7.7
497.31226	6.6
629.35547	100.0
653.37518	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73356	1.1
59.01388	16.2
61.98838	9.4
67.37908	1.1
68.36097	1.2
71.01382	18.6
73.02956	6.7
83.01417	1.9
85.02968	8.5
87.00906	2.6
89.02441	18.6
92.10106	3.0
92.16477	1.2
94.98087	3.1
96.96005	2.4
99.00880	3.1
101.01894	1.4
101.02444	14.3
113.02454	7.3
119.03503	1.4
145.02919	1.8
149.04520	1.4
157.12447	1.9
160.01709	1.7
161.02423	6.2
173.04521	2.2
191.05598	5.4
204.70702	1.5
251.87106	1.4
259.53830	1.6
285.73734	1.3
294.20251	1.6
335.22336	2.8
353.21024	1.4
359.28055	1.5
521.33508	3.0
629.32233	3.2
651.36505	3.3
653.37708	100.0
689.35321	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15508	0.5
53.42115	0.6
55.01899	3.8
57.03462	2.8
59.01387	20.6
61.98837	44.7
65.24374	0.6
69.03457	0.7
71.01390	34.6
71.01779	1.3
73.02950	14.2
73.03311	1.0
75.00862	0.7
81.03479	0.7
83.01398	5.2
83.05053	0.6
85.02964	16.7
87.00897	1.5
89.02446	13.3
92.10785	2.6
95.01376	1.3
96.96057	0.7
97.02967	2.9
99.00877	6.7
99.04546	0.6
101.02442	31.3
113.02460	13.2
115.04030	1.1
119.03529	0.9
125.02481	2.8
131.03520	1.3
143.03558	0.9
149.04596	0.8
159.03018	1.2
161.04582	8.8
171.10313	5.5
191.05559	1.3
209.11932	5.5
210.00784	0.8
221.50163	0.7
225.11313	2.6
233.06674	1.4
246.73726	0.7
293.08939	1.2
335.25934	11.6
497.31369	4.6
629.35541	100.0
630.36188	1.2
653.37811	4.7
689.34412	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40374	4.1
59.01398	32.2
66.27670	3.9
71.01393	30.6
76.46687	4.1
89.02454	30.4
92.34981	4.4
101.02439	18.2
113.02476	6.7
119.05045	8.1
145.02946	52.5
254.06105	5.0
255.23288	68.9
313.14340	6.0
397.13519	95.1
415.14600	21.7
653.36975	10.6
689.35162	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	689.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64603	3.6
59.01403	24.1
62.90014	4.2
69.77361	4.2
71.01405	21.0
85.64781	4.2
89.02441	21.4
96.68905	4.9
101.02452	10.7
115.61414	5.0
120.14906	5.4
163.50909	4.5
164.88443	4.4
186.92311	5.0
213.21202	4.7
255.23343	77.0
255.84396	4.8
392.19247	5.6
397.13544	92.0
415.14694	28.2
653.37524	24.9
689.35303	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	689.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50620	0.2
55.29590	0.2
59.01376	0.7
78.95899	5.1
79.95732	2.6
85.77793	0.2
85.99696	0.2
96.96011	100.0
96.96901	5.9
98.95584	0.3
131.81221	0.3
171.24203	0.3
180.76709	0.3
266.53622	0.3
336.80536	0.3
449.85754	0.3
597.42145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59188	0.6
54.82375	0.6
55.67756	0.6
59.01382	0.9
61.98848	0.6
68.97137	0.6
75.41573	0.6
78.95922	4.6
79.95735	2.4
96.96008	100.0
96.96908	6.8
98.67103	0.7
105.14650	0.6
197.86668	0.8
227.85063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24477	0.5
55.01905	3.4
56.90188	0.5
57.03469	1.3
58.00613	1.0
59.01391	29.4
69.03453	0.6
71.01392	34.9
72.99347	1.3
73.02954	18.4
73.03355	0.7
75.00896	0.5
83.01396	7.5
84.95117	0.6
85.02963	17.9
85.03445	0.9
87.00907	2.2
89.02448	22.0
91.73514	0.5
93.03484	1.2
95.01408	2.9
97.02968	2.9
97.30196	0.5
97.36784	0.6
99.00877	10.7
101.02447	34.8
111.00909	2.1
113.02461	16.5
115.04036	2.7
119.03504	2.7
125.02467	2.9
131.03529	3.7
135.04533	0.7
143.03554	1.2
149.04585	2.3
159.02994	1.2
160.08662	0.7
161.04573	6.4
165.05643	0.6
179.05296	0.6
191.05630	4.4
214.04422	0.6
233.06734	1.1
271.20663	0.6
291.23273	2.0
319.22821	0.6
349.23920	21.8
367.08334	0.7
497.71973	0.5
511.29233	6.4
544.28717	0.7
643.33466	100.0
644.33606	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	689.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.1
56.42057	0.8
57.03451	4.0
59.01383	19.5
61.98834	17.4
71.01389	16.3
71.05022	5.7
72.99297	1.3
73.02943	8.7
73.37160	0.9
75.00874	1.4
80.02688	1.2
81.03476	1.7
83.01400	4.4
83.05032	6.1
85.02953	7.8
87.00890	2.5
89.02454	9.1
93.03448	1.6
96.94464	1.1
97.02950	5.5
97.06598	6.0
99.00882	27.0
101.02451	15.7
110.03717	1.2
113.02444	5.9
119.03503	1.5
123.08175	2.0
125.02435	1.7
125.09757	10.8
142.02736	1.4
142.19319	1.1
145.02943	1.5
153.12816	1.6
161.04626	1.6
163.11317	19.2
165.12869	1.6
171.10292	7.5
181.12363	31.1
191.05623	4.0
199.13394	22.6
207.10306	39.9
209.11859	57.2
225.09155	2.2
225.11360	59.1
227.12967	1.7
233.08650	1.0
241.61877	1.1
243.10001	2.0
243.12393	32.6
244.12556	1.2
253.09241	5.2
290.27231	1.1
294.05472	1.1
461.20123	4.5
479.21255	10.5
549.70502	1.1
627.34052	1.7
628.34308	7.3
629.34662	20.2
629.95953	1.2
671.32928	1.8
675.49719	1.3
689.33905	100.0
690.34686	1.9
703.83002	1.3
714.74237	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	688.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33950	0.2
59.01107	0.3
59.01390	4.4
59.77979	0.2
60.01703	0.4
61.98835	100.0
71.01376	2.2
73.02956	1.3
73.58284	0.3
83.01421	0.3
85.02962	1.0
89.02439	3.8
90.41901	0.2
91.83747	0.2
99.00882	1.1
101.02436	1.9
113.02449	0.3
119.03470	0.3
126.68143	0.2
131.03522	0.5
135.04573	0.3
137.02457	0.3
149.04578	0.3
175.04045	0.5
191.05670	0.9
242.11478	0.2
262.27646	0.2
495.62054	0.3
508.27954	0.3
626.32581	0.4
627.32898	2.0
628.33362	3.5
639.71198	0.3
652.36041	0.6
688.33411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97873	0.4
51.51770	0.4
53.00903	0.4
57.03471	2.1
59.01386	11.0
62.57356	0.4
67.01894	0.5
68.99839	0.6
71.01384	12.1
72.99325	2.4
73.02965	0.5
75.00880	7.1
75.25983	0.5
85.02960	15.9
87.00890	6.4
88.48088	0.4
89.02448	6.1
91.05094	0.5
91.05543	4.8
93.03470	1.1
95.01403	2.0
95.05040	1.2
96.96061	0.6
99.00880	5.3
101.02466	0.5
103.00391	3.0
107.03809	0.8
110.06136	2.9
113.02464	21.2
113.03259	0.8
115.00386	0.7
117.01986	1.1
117.03481	3.1
120.04600	0.5
121.02978	2.7
121.05368	0.8
122.06133	22.1
129.01956	1.0
130.99893	0.5
131.03488	0.6
134.06142	0.9
135.04556	2.6
135.06964	4.3
136.04034	0.6
137.02490	0.9
138.05603	0.8
145.05328	1.1
148.04047	0.5
149.02472	3.8
149.04817	6.1
150.05643	3.0
157.17795	0.5
162.05627	4.7
163.04214	0.7
163.06419	28.0
164.03503	2.2
164.04836	3.4
164.07243	3.3
166.05147	7.4
167.05890	2.9
177.04366	6.1
178.05197	0.9
179.07129	0.7
191.05589	4.3
193.01459	0.8
194.04616	5.3
195.05408	29.2
204.09839	0.6
207.05151	1.0
208.03896	4.2
223.06119	5.9
249.06213	4.1
253.03770	0.8
255.11278	1.6
267.07272	47.2
267.11472	2.9
273.09491	0.5
273.12500	25.8
285.12506	100.0
286.12747	0.7
303.13580	57.0
304.14011	0.8
363.12973	3.1
385.11493	35.6
386.97546	0.5
425.49585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45025	0.3
55.77234	0.3
56.95890	0.3
59.01384	0.6
62.45673	0.4
62.61524	0.3
64.22246	0.3
69.02965	0.3
71.01379	0.6
72.54438	0.3
73.02962	0.3
80.28648	0.3
85.02954	7.9
87.00881	1.9
93.03456	3.5
96.96013	3.4
111.04540	0.7
127.04015	1.7
133.02933	1.6
135.04543	1.4
161.02420	2.5
173.04536	1.4
179.03493	0.7
186.32750	0.4
191.05630	100.0
192.05971	0.7
331.20026	0.4
353.08844	11.2
676.42023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.1
59.01387	2.3
60.01730	0.2
61.98835	100.0
71.01381	1.8
72.01765	0.2
73.02952	0.7
83.01400	0.2
85.02960	0.6
89.02437	2.0
90.02765	0.2
91.02843	0.2
99.00871	0.7
100.01253	0.2
101.02465	1.4
113.02443	0.6
131.03442	0.2
149.04567	0.2
156.13399	0.2
301.96411	0.2
627.33191	1.4
628.33484	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	688.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.1
59.01385	2.8
60.01701	0.1
61.98833	100.0
71.01375	3.3
72.01711	0.2
73.02946	1.5
78.12244	0.1
81.57211	0.1
83.01373	0.3
85.02944	1.2
86.03307	0.2
87.00835	0.2
89.02440	2.1
90.02738	0.2
95.01412	0.1
97.06598	0.1
99.00884	0.6
101.02439	2.2
102.02734	0.2
113.02442	1.0
115.04046	0.2
119.03436	0.2
125.02450	0.7
131.03522	0.2
150.04884	0.1
161.04550	0.2
191.05568	0.2
233.06654	0.2
235.58913	0.2
270.19354	0.1
279.24277	0.2
299.75443	0.1
331.22852	0.6
331.72113	0.1
332.23193	1.0
333.23694	0.8
334.24496	0.6
342.46011	0.2
388.14343	0.2
626.32776	0.6
627.33313	3.5
628.33698	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	687.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50420	0.7
55.01888	4.3
57.03460	3.6
59.01387	23.2
59.01656	1.4
61.98839	3.7
66.15052	0.7
71.01379	34.8
72.78141	0.8
73.02948	17.0
74.91459	0.8
83.01382	6.5
83.69582	1.0
83.94929	0.9
85.02944	16.3
87.00881	1.6
89.02457	13.5
92.10723	2.4
95.01406	2.0
98.91476	0.8
99.00877	8.3
99.01433	0.8
101.02444	32.4
111.00867	1.2
112.49675	0.8
113.02447	13.1
115.04033	1.4
125.02475	3.2
131.03458	1.2
159.02994	1.7
161.04565	9.4
176.39371	0.8
197.44002	0.9
233.06685	1.3
264.25748	0.8
293.08878	1.3
333.24399	5.6
338.07492	0.9
360.36191	0.9
365.90305	0.9
366.89395	1.0
495.29666	5.7
588.52911	1.0
627.33954	100.0
628.34021	1.3
687.32434	1.2
697.31134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.2
57.03449	2.3
58.00604	0.5
59.01389	27.5
61.98534	0.8
61.98837	16.2
69.03462	0.7
71.01387	33.9
71.38366	0.4
72.99329	0.9
73.02953	14.3
75.00881	0.7
80.74828	0.5
83.01400	4.7
85.02959	15.4
86.00135	0.6
87.00886	2.2
89.02453	16.3
92.10195	1.0
95.01398	2.7
97.02970	1.1
99.00897	9.6
101.02456	28.5
107.89478	0.5
108.73087	0.5
111.00893	0.5
113.02470	12.8
115.04015	0.9
116.76900	0.6
119.03511	2.9
125.02464	2.6
131.03502	2.7
143.03548	0.7
147.76295	0.5
149.04536	2.8
159.03003	2.4
160.01694	0.6
161.04590	6.5
161.61508	0.5
163.60100	0.5
191.05615	2.5
233.06694	1.2
282.90167	0.5
333.24515	4.5
467.53427	0.5
495.29987	5.2
541.61041	0.7
587.62946	0.5
627.33972	100.0
628.34888	1.0
645.51764	0.6
651.35419	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	687.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39333	0.5
55.01884	2.7
57.03455	3.1
59.01385	22.4
61.28340	0.6
61.98835	45.5
69.03468	1.0
71.01382	31.3
72.99333	0.9
73.02943	17.1
75.00890	2.7
75.63999	0.6
77.53174	0.6
83.01381	5.8
85.02952	19.8
86.00080	1.0
87.00864	0.9
89.02449	9.4
95.01396	1.6
96.96069	0.8
97.02958	0.9
99.00874	7.2
101.02447	26.8
113.02464	14.9
115.04004	0.9
122.03732	0.7
125.02446	3.3
131.03506	1.0
133.19954	0.8
137.89900	0.6
143.03520	0.8
143.41362	0.6
149.02420	0.8
149.04532	0.7
149.06042	0.7
150.03236	1.3
159.03009	1.3
160.01662	3.1
161.02438	1.2
161.04605	4.8
165.05595	1.6
175.04028	3.9
191.05589	0.8
225.18335	0.8
233.06616	0.7
333.24380	7.8
495.29501	6.3
584.65277	0.7
627.33954	100.0
628.33850	1.0
687.33197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
57.03448	3.6
58.00595	0.8
59.01384	25.5
61.98829	1.4
71.01379	37.6
73.02942	15.7
75.00874	2.9
81.03467	0.8
83.01379	8.6
85.02950	16.1
87.00864	1.3
89.02449	14.8
95.01391	3.0
96.96009	5.6
97.02942	2.2
99.00866	7.4
101.02439	35.1
109.02936	0.6
109.51697	0.7
111.00887	0.9
113.02457	13.2
115.03992	2.9
119.03445	1.0
125.02436	4.0
129.01971	0.7
131.03505	1.2
159.03001	2.5
161.04588	7.9
171.10208	0.8
190.16296	0.7
191.05594	1.0
233.06682	1.6
317.21378	1.2
333.24445	8.4
495.30051	4.6
497.31085	0.9
627.33942	100.0
628.34473	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	687.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30799	0.3
55.01896	3.8
57.03460	2.5
58.00603	0.3
59.01387	24.0
61.91993	0.4
61.98840	0.4
69.03467	1.6
71.01383	32.6
72.99319	1.8
73.02950	15.8
75.00876	0.7
76.34373	0.4
81.03493	0.5
81.65116	0.3
83.01385	6.4
85.02956	18.3
87.00880	1.9
89.02444	13.0
94.98099	0.8
95.01384	2.7
96.96041	2.1
97.02935	3.1
99.00879	8.7
101.02445	31.3
105.41263	0.3
113.02455	13.5
115.04015	2.0
119.03516	0.8
125.02460	2.4
131.03519	2.0
143.03535	0.5
149.04562	1.6
152.03558	0.8
159.03006	3.1
161.04593	6.5
172.66580	0.4
173.55113	0.4
175.04036	0.6
191.05656	1.4
233.06671	1.7
293.08759	0.5
311.09799	0.4
333.24496	5.7
340.29398	0.4
351.25714	0.5
437.31931	0.5
489.25543	0.4
495.29825	6.2
592.17133	0.5
627.33997	100.0
628.34357	1.9
687.33673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
56.86236	0.4
59.01381	7.5
61.98833	100.0
71.01373	6.6
73.02947	2.9
74.19963	0.5
74.85873	0.4
83.01387	0.8
84.70184	0.4
85.02950	3.3
87.00868	0.6
89.02440	5.0
93.03532	0.4
95.01414	0.5
96.96060	0.6
99.00854	0.8
101.02442	5.3
101.04063	0.4
113.02438	2.3
125.02406	0.8
131.03500	0.6
134.03647	0.5
149.04572	0.6
183.23361	0.4
205.16826	0.5
281.40518	0.4
331.22583	0.7
332.23151	0.7
333.24521	0.5
451.90338	0.7
471.36145	0.5
522.75018	0.5
570.87756	0.5
625.31805	3.0
625.81390	1.9
626.32135	10.6
627.33160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22094	3.4
54.62696	3.7
55.01899	9.3
57.03465	7.5
59.01388	100.0
61.98841	19.6
69.03447	4.3
71.01383	96.2
72.99329	6.9
73.02963	44.5
73.87200	3.8
78.59385	3.5
78.78214	3.7
83.01400	8.4
85.02959	40.1
87.00858	42.4
89.02448	84.2
95.01383	6.2
95.07467	3.7
96.96011	4.7
99.00887	23.0
99.04574	4.9
101.02433	59.3
113.02478	26.5
119.03493	4.3
125.02454	15.6
133.02969	8.0
135.04491	8.8
137.02435	6.7
150.22925	5.2
161.02457	18.1
161.04550	8.7
191.05617	20.4
193.05077	7.5
207.41466	4.5
208.07617	4.6
233.06625	6.0
288.44562	4.1
342.74390	4.9
347.22333	23.2
358.15503	4.2
588.68726	4.9
627.33954	92.4
627.81824	4.6
641.31848	75.1
651.35815	22.0
687.27728	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40555	0.4
55.01662	0.4
55.01875	4.1
57.03458	2.8
58.00611	0.5
59.01386	25.0
61.93768	0.5
61.98833	2.4
63.13430	0.5
69.03445	1.3
71.01384	34.4
72.99318	1.0
73.02947	16.0
75.00889	0.8
83.01390	6.9
85.02959	16.1
86.00088	0.7
87.00879	2.7
89.02445	12.5
95.01398	3.0
96.95992	1.3
97.02937	2.5
99.00878	9.5
99.04521	0.6
101.02444	30.8
111.00842	0.8
113.02463	14.1
115.04020	1.0
119.03505	0.8
124.32415	0.6
125.02401	4.1
131.03535	1.3
143.03525	1.3
149.04614	0.8
159.03008	1.3
161.04576	8.5
182.19293	0.7
191.05531	1.0
209.11803	1.1
209.72377	0.6
233.06725	0.7
233.40994	0.6
260.08316	0.5
269.24332	0.6
327.89240	0.6
333.24417	7.8
495.29684	8.4
627.33978	100.0
687.33154	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	685.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20549	2.1
55.01896	12.1
57.03467	3.7
58.00605	2.9
59.01395	100.0
60.01744	2.2
61.98845	10.5
69.03463	3.3
71.01398	79.0
72.01684	2.3
72.99316	4.1
73.02966	22.4
75.00877	4.1
83.01402	10.0
85.02963	36.8
87.00901	5.0
88.98800	2.6
89.02454	69.7
93.03459	5.5
95.01403	5.8
96.96001	2.7
97.93129	2.2
99.00896	19.4
101.02449	62.9
113.02451	29.0
119.03506	10.2
125.02437	10.1
131.03468	4.1
133.02945	5.0
135.04503	4.7
137.02423	2.6
143.03435	3.5
145.02919	3.9
149.04572	9.3
152.43991	2.7
155.10768	3.2
161.02417	9.6
161.04539	12.2
163.04045	3.2
173.04500	5.0
177.01917	14.0
178.02386	3.2
179.03534	2.8
179.05824	2.7
191.05626	25.6
207.42235	2.4
228.67410	2.5
237.22430	2.5
249.01413	2.6
298.39685	2.3
331.24915	3.0
361.29672	12.0
486.47437	2.8
491.97952	2.6
493.29092	3.3
523.34766	18.5
625.33063	60.4
649.34814	13.6
658.67810	2.7
685.40723	81.4
696.04059	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	685.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70076	1.5
55.01879	6.5
57.03467	4.0
59.01386	79.0
61.11349	1.3
61.98812	2.5
69.03464	2.6
71.01380	75.0
72.99313	2.3
73.02940	21.8
73.03246	1.4
75.00897	2.0
83.01415	7.6
85.02961	25.6
86.69907	1.6
87.00883	3.6
88.98818	10.4
89.02448	44.2
93.03469	2.0
95.01403	2.2
96.96029	3.5
97.02951	2.9
99.00883	9.1
101.02440	48.1
111.00907	2.3
113.02472	23.4
115.00343	2.6
116.92883	3.4
119.03531	11.5
119.05064	2.6
121.02991	1.5
125.02461	4.0
131.03490	4.0
131.87154	1.9
135.04507	3.0
137.02501	3.6
138.01968	7.6
141.01698	1.9
143.03500	2.5
144.34294	1.7
147.04526	24.1
148.70541	2.0
149.04559	2.1
155.10583	1.8
161.02443	3.2
161.04582	7.7
173.04497	2.1
175.04065	1.9
177.01912	3.9
179.03609	1.9
179.05594	1.9
188.84026	1.8
191.05602	8.1
195.06816	1.7
221.06587	2.4
274.06601	1.7
357.61139	1.9
361.29773	16.9
378.02216	1.6
523.34924	15.1
526.61023	1.9
625.32758	22.2
649.34204	3.5
685.40479	100.0
686.41223	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	685.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	9.8
60.43459	1.0
61.98829	1.5
63.19567	1.1
69.30105	1.3
71.01391	2.6
72.99309	2.1
73.02966	1.6
75.00870	100.0
85.02973	1.5
89.02445	7.4
89.59134	1.2
101.02446	3.1
103.89677	1.4
115.04173	1.3
124.12394	1.3
146.70177	1.2
215.43213	1.3
253.99059	1.2
474.10184	1.4
609.32745	5.9
641.77698	1.8
647.58643	1.6
685.35425	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	685.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00392	0.8
55.01897	2.2
57.03463	1.8
58.00610	1.4
59.01386	54.3
66.18358	0.8
71.01385	45.4
71.01778	1.7
71.44090	0.7
72.99335	1.7
73.02947	10.5
83.01420	5.4
85.02953	19.0
87.00898	3.9
89.02446	40.0
92.10036	2.1
95.01408	5.0
96.94643	0.9
97.02994	1.9
99.00912	2.2
101.02438	33.9
113.02454	21.7
119.03508	12.9
125.02441	1.8
131.03517	5.0
143.03529	1.9
158.82683	1.0
159.02953	1.9
161.04556	8.6
179.05623	9.2
221.06746	6.5
270.48831	1.1
279.71994	1.1
287.46930	1.0
454.95737	1.0
477.28839	1.9
639.34003	100.0
685.30963	1.3
691.77612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	6.4
59.06877	1.2
60.70589	1.3
61.98849	1.9
63.39237	1.2
71.01396	3.0
85.02945	1.3
89.02449	7.0
97.02982	2.8
101.02466	2.4
106.36330	1.3
109.30386	1.6
113.80012	1.4
118.50617	1.4
118.97458	1.4
119.03502	1.6
166.38760	1.6
171.10143	2.0
301.21780	100.0
309.20557	5.0
310.21112	2.6
323.10062	13.6
431.10895	1.7
533.10150	1.5
625.32617	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	685.345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33348	0.3
55.01885	3.0
57.03458	2.1
59.01386	25.5
61.85735	0.4
65.47604	0.3
69.03462	2.2
71.01384	33.0
73.02946	12.0
75.00873	0.8
81.03465	0.6
83.01397	4.8
85.02953	12.0
85.78606	0.3
87.00876	2.2
89.02445	23.0
94.01279	0.3
95.01383	2.9
95.05009	0.4
96.76704	0.5
97.02958	4.4
97.06581	3.1
97.44522	0.4
99.00891	10.5
99.04548	0.8
101.02446	20.6
111.00898	0.6
113.02458	11.9
115.04009	3.7
119.03513	0.5
123.08189	4.8
125.02442	7.6
131.03531	3.1
138.43282	0.4
141.09233	2.5
143.03522	2.1
149.04562	2.8
159.02979	0.9
161.04584	4.9
191.05612	1.6
218.69847	0.4
233.06674	5.3
269.19165	8.4
287.20187	4.7
293.08789	3.2
311.39923	0.5
313.21664	0.8
329.21371	1.7
331.22864	39.2
493.28140	2.5
625.32422	100.0
626.32892	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	685.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80637	0.6
52.92433	0.5
54.02666	0.5
55.01883	4.4
57.03444	2.3
57.12930	0.6
59.01386	39.6
61.98838	4.5
63.51667	0.6
69.03468	1.7
71.01382	46.9
72.73936	0.8
72.99323	2.7
73.02944	20.8
74.26044	0.6
75.00876	0.9
83.01386	7.6
85.02956	19.9
87.00900	1.6
89.02444	35.0
95.01385	3.0
97.02927	1.6
99.00880	16.9
101.02448	41.1
105.54314	0.6
111.00848	1.0
111.83758	0.6
113.02451	16.1
113.65649	0.6
115.04011	1.7
117.05835	0.7
117.92940	0.6
119.03493	3.6
125.02479	5.1
131.03511	4.4
132.02168	0.7
134.03784	0.8
143.03563	1.1
149.04552	8.8
151.26619	0.7
156.22369	0.7
159.02980	0.7
160.01707	4.8
161.04582	6.0
175.03987	5.7
191.05623	5.5
193.05202	1.0
214.53433	0.6
221.06697	1.1
233.06773	2.9
293.08881	1.6
313.21591	0.8
317.31418	0.8
331.22855	4.4
493.28131	4.8
505.91959	0.9
607.31366	1.5
625.32410	100.0
626.32452	1.5
639.39801	7.8
685.31952	3.2
712.51648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
61.98839	100.0
71.01397	1.6
73.02946	1.0
83.01371	0.2
85.02987	0.4
86.86949	0.2
89.02442	2.2
92.10128	0.4
99.00890	1.0
101.02457	1.2
102.02804	0.3
113.02444	0.4
114.17162	0.2
119.03512	0.3
123.08157	0.3
133.13644	0.2
147.47458	0.2
149.04556	0.7
171.10251	0.2
191.05585	0.4
328.20074	0.3
329.20251	0.8
391.14578	0.2
622.29968	0.4
623.30438	1.9
624.30408	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	684.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82635	0.3
57.60097	0.3
59.01393	1.3
59.24911	0.3
61.98839	0.7
64.34351	0.3
65.75098	0.3
71.01389	0.4
77.24534	0.3
82.40113	0.3
85.31004	0.3
101.02466	0.7
102.22437	0.3
122.03738	14.8
141.06224	0.3
152.03546	100.0
153.03851	0.6
175.04036	0.4
176.94189	0.4
246.17705	0.3
251.08221	0.4
324.68527	0.4
374.64249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21225	0.7
55.01896	4.3
56.96904	0.7
57.03465	3.8
58.00621	1.3
59.01388	41.9
61.98838	4.0
69.03481	0.9
71.01385	46.0
72.99309	1.4
73.02947	20.1
75.00877	3.2
78.66282	0.8
83.01388	7.6
85.02960	23.2
87.00875	3.2
89.02446	30.9
93.03439	0.8
95.01402	2.2
97.02978	3.8
99.00902	10.3
99.04516	0.9
101.02450	38.6
113.02455	16.8
115.04025	3.5
117.88593	1.1
119.03517	4.8
125.02467	2.1
126.55130	1.2
131.03517	5.7
134.03790	1.0
135.04539	1.0
136.07654	1.0
137.02411	3.4
143.03534	4.1
149.04581	5.7
159.03008	2.0
160.01700	4.7
161.02519	1.7
161.04594	7.8
175.03984	3.4
175.55231	0.9
183.30460	0.8
191.05618	3.7
193.04980	1.4
233.06535	1.2
233.48495	0.8
245.80630	0.9
257.61053	0.8
261.25958	0.9
293.08899	1.5
329.21185	1.5
331.22852	4.5
490.46225	0.9
493.28113	8.3
611.06506	1.0
625.32361	100.0
626.32880	4.1
639.33795	10.7
649.34210	2.0
685.32312	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	685.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03452	1.1
57.18209	0.3
58.00600	1.6
58.70312	0.2
59.01388	61.0
59.91537	0.2
61.98837	0.5
62.90205	0.2
63.60712	0.2
63.61036	0.2
69.03461	1.4
70.45486	0.2
71.01386	37.8
71.89069	0.3
72.99309	2.1
73.02949	13.2
75.00869	0.3
83.01403	2.2
83.01815	0.2
85.02956	8.0
87.00853	0.9
89.02446	66.5
92.32040	0.3
95.01391	1.5
97.02953	2.0
99.00885	22.3
99.50412	0.3
101.02449	24.7
113.02473	9.5
113.14449	0.3
115.04025	1.2
119.03522	6.8
125.02436	3.6
131.03522	8.0
143.03526	0.7
149.04578	13.6
161.04567	1.9
163.18500	0.3
179.05563	1.3
191.05663	7.5
204.38246	0.3
221.06621	1.0
233.06529	0.3
237.28006	0.3
251.07726	1.6
293.08746	1.1
311.09955	0.5
331.22827	0.4
493.28171	0.6
530.44904	0.3
625.32446	100.0
626.32751	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	683.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41858	1.3
55.01904	2.9
57.03461	2.6
59.01390	24.0
61.98852	3.4
67.89766	1.6
71.01385	43.3
73.02942	16.3
76.57284	1.6
83.01402	7.4
85.02950	25.7
87.00890	2.4
89.02451	11.0
95.01377	2.6
97.02924	2.6
99.00864	9.2
101.02451	38.0
103.18987	1.7
113.02485	16.1
123.08126	1.8
125.02477	2.4
133.17407	1.7
135.35742	1.7
159.03033	2.3
161.04601	3.4
180.39496	1.7
185.43388	1.6
332.50266	1.9
387.69659	1.9
491.30206	4.2
623.34216	100.0
648.58344	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	683.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	3.6
66.40685	3.4
71.01407	5.8
74.84710	3.3
74.86669	3.2
79.77403	3.3
97.06589	20.8
101.02477	4.6
107.54317	3.6
114.38962	3.6
123.08147	9.1
125.09724	100.0
148.31364	3.9
156.26804	4.0
164.13824	3.8
169.08635	4.2
187.09802	30.7
207.70856	4.0
273.86325	4.5
277.21777	45.0
683.40277	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56159	2.2
57.03453	2.8
59.01390	2.2
78.91551	2.1
96.91288	2.5
97.06593	14.7
101.02418	2.8
105.25815	2.4
122.68707	2.5
123.08144	3.9
125.09732	100.0
187.09779	79.9
267.01630	2.1
277.21753	16.5
361.01202	2.3
423.18546	9.7
520.08447	2.9
683.40247	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.5
57.03457	3.0
57.73917	0.4
58.00592	0.9
58.44394	0.4
59.01387	35.7
61.98821	0.6
64.34451	0.4
64.42970	0.4
68.15495	0.4
69.03470	2.8
71.01383	45.4
72.99315	2.9
73.02946	19.8
75.00873	1.6
75.93639	0.4
76.93901	0.4
81.03457	0.7
83.01393	8.1
83.05009	0.4
84.51529	0.4
85.02956	18.2
86.00116	0.6
87.00879	3.0
89.02445	26.2
95.01370	3.5
96.95993	0.8
97.02966	4.6
99.00884	13.6
99.04523	0.8
101.02449	33.2
102.92483	0.4
109.02909	0.6
111.00887	1.7
113.01709	0.6
113.02466	16.9
115.03983	4.2
119.03481	2.7
123.08173	7.8
125.02458	5.1
127.04020	0.8
129.01965	0.6
131.03529	3.8
135.04456	0.6
141.01962	0.5
143.03487	1.8
149.04581	3.9
155.53070	0.5
159.02954	1.6
161.04564	6.3
173.04617	0.5
191.05698	3.3
218.74391	0.4
221.64651	0.4
231.82253	0.4
233.06624	3.0
236.36017	0.4
241.15953	0.6
277.72214	0.5
293.08798	0.8
302.99091	0.5
311.19955	0.7
327.19781	0.8
329.21292	28.9
401.23404	4.3
491.26276	5.0
623.30847	100.0
624.31476	1.8
637.32678	2.7
665.37921	0.6
683.29675	2.0
683.39850	3.4
712.24524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82223	2.0
55.01879	5.1
57.03452	2.6
59.01381	37.0
59.98367	1.7
64.33042	1.7
71.01388	54.3
71.01775	2.6
72.99307	14.7
73.02949	19.0
75.00874	2.7
83.01419	8.7
83.56525	1.9
83.68507	1.7
85.02954	24.0
87.00891	2.5
88.98819	7.9
89.02456	10.1
95.01359	2.6
98.11808	2.0
99.00876	8.6
101.02448	38.6
113.02450	19.5
161.04564	11.8
357.48233	2.2
485.88611	2.7
613.82520	2.2
623.34167	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	683.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96940	0.6
55.01892	1.4
57.03464	1.3
59.01385	27.8
69.03461	1.4
71.01386	26.7
72.99318	1.4
73.02941	12.1
83.01405	3.0
85.02956	10.4
87.00900	1.5
89.02446	23.5
95.01436	1.0
95.05034	1.7
96.96029	0.8
97.02945	1.5
99.00875	9.1
101.02442	22.7
107.53665	0.7
110.06256	0.6
113.02441	10.0
115.03992	1.4
119.03488	3.3
123.08164	98.1
125.02441	3.2
129.45633	0.6
131.03488	3.3
141.01959	0.7
143.79454	0.7
149.04541	3.3
149.09705	0.7
159.02988	0.9
161.04556	3.7
161.09709	1.1
165.41553	0.7
183.47417	0.7
191.05701	1.6
193.12369	14.4
205.12379	11.9
212.13190	0.6
233.06673	0.7
262.37955	0.7
311.20297	1.5
317.93060	0.7
318.65060	0.7
329.21274	21.0
367.17694	1.5
480.68622	0.8
491.26608	12.3
499.21988	2.9
623.30829	100.0
624.31403	0.8
683.38623	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	683.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
56.17815	0.5
57.03462	2.9
58.00600	0.5
59.01388	41.3
61.98814	0.5
69.03471	2.3
71.01384	40.4
71.93253	0.5
72.99322	2.6
73.02946	15.4
75.00882	1.1
81.03454	1.2
83.01392	6.0
85.02959	15.7
87.00891	2.8
89.02447	29.6
91.54396	0.6
95.01392	3.7
96.95996	0.6
97.02946	3.1
99.00882	11.7
101.01785	1.2
101.02450	31.9
111.00884	0.9
113.02458	12.1
115.03998	3.9
119.03498	4.0
125.02475	4.9
129.01978	1.0
130.99091	0.5
131.03503	4.3
131.04324	0.6
137.02460	0.5
143.03543	1.2
149.04585	5.5
159.02985	2.3
161.04541	3.5
170.69756	0.5
173.85577	0.5
191.05649	3.8
203.10774	3.3
229.21107	0.5
233.06711	2.9
246.82541	0.6
293.08817	0.7
311.20193	1.2
329.21298	10.0
386.29373	0.6
491.26505	8.4
623.30847	100.0
624.30969	1.2
665.38110	0.9
683.39044	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	683.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.5
57.03466	4.4
58.00606	0.9
59.01393	38.6
59.82069	0.4
59.82621	0.3
61.98851	2.4
67.34563	0.4
69.03471	1.7
71.01394	42.3
72.99323	1.9
73.02956	20.2
73.03359	0.8
75.00880	1.5
81.03456	0.6
83.01409	6.9
85.02970	18.1
86.00105	0.6
87.00889	2.8
87.61260	0.4
89.02457	30.8
91.29193	0.4
93.03461	0.5
95.01395	3.2
95.93678	0.3
96.96032	3.7
97.02950	6.3
99.00887	12.3
99.04556	0.6
101.02453	33.8
111.00907	0.8
113.02467	15.6
115.04013	2.2
116.92872	0.6
117.03539	0.6
119.03517	2.0
121.03012	0.4
125.02460	4.4
131.03522	3.8
133.02997	0.7
137.02441	0.4
143.03523	2.2
145.02989	2.2
149.04591	7.2
149.05753	0.6
153.00668	0.4
159.03014	2.4
160.01628	0.5
161.02524	0.5
161.04527	5.5
163.04060	0.6
171.10390	0.4
175.04031	0.4
177.02077	0.5
179.05812	0.4
191.05653	4.8
221.06705	0.5
233.06686	1.9
251.07448	0.7
269.32028	0.4
273.39197	0.4
274.77136	0.4
329.21274	11.5
491.26367	6.0
605.29834	4.8
623.30859	100.0
624.31628	1.7
682.90356	0.5
683.38635	2.9
711.85077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03448	0.9
59.01387	43.2
61.98844	0.8
64.08195	0.7
67.74210	0.8
69.03458	0.8
70.28296	0.7
71.01384	45.8
71.01782	1.5
72.99303	1.9
73.02943	17.2
75.00885	5.2
75.45705	0.8
83.01399	3.3
85.02951	14.3
89.02442	51.8
92.10058	2.9
95.01389	1.7
97.02954	4.1
99.00887	21.0
101.02444	30.4
113.02462	14.0
115.04022	4.4
119.03514	3.9
125.02433	5.4
129.44080	0.7
131.03499	5.5
131.27689	0.7
142.29298	0.8
143.03516	1.4
146.25027	0.8
149.04588	13.4
149.05722	1.4
159.02982	1.2
161.04567	6.9
179.05583	1.3
191.05717	6.5
233.06683	1.9
251.07733	1.6
293.08789	5.1
329.21185	4.4
471.23383	0.9
491.26596	3.7
623.30823	100.0
624.31281	1.0
647.29999	1.5
650.60376	0.9
683.27551	1.3
683.38434	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	683.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.2
57.03435	0.6
58.00607	0.6
58.87541	0.5
59.01385	71.3
60.02419	0.7
61.62304	0.6
66.99883	0.6
68.09349	0.6
71.01382	47.1
71.66133	0.6
72.99300	1.4
73.02975	1.5
75.00881	0.8
83.01413	0.8
85.02943	7.4
87.00870	1.5
87.80884	0.7
89.02444	69.3
95.01405	2.8
101.02445	26.1
113.02452	18.5
119.03507	22.9
131.03479	4.3
143.03502	4.0
149.04585	1.1
161.04588	4.8
179.05647	19.1
295.98352	0.8
341.10953	100.0
341.92142	0.8
386.28244	0.7
488.95819	0.7
711.76392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03463	0.3
59.01101	0.5
59.01384	6.8
60.99313	20.2
61.98831	0.3
71.01386	5.8
73.02943	1.6
75.00877	0.2
83.01381	0.5
85.02956	2.1
87.00871	1.4
88.00415	0.6
88.98804	100.0
89.02441	11.3
90.83768	0.3
92.10059	0.3
95.01416	0.3
97.06558	0.3
99.00892	1.8
101.02438	3.6
113.02460	1.8
119.03495	1.0
126.07037	0.3
126.64810	0.3
128.35475	0.3
133.02968	2.7
134.03735	0.3
135.04500	2.4
143.03470	0.4
145.02847	0.3
149.04541	1.2
159.04504	0.2
160.05379	0.3
161.02441	7.9
161.04544	0.9
161.05957	0.3
175.04044	0.3
177.01942	0.5
179.03452	1.3
179.05569	1.1
191.05588	1.0
291.26871	0.3
293.08615	0.3
316.96457	0.3
323.07724	0.6
378.30264	0.3
502.67526	0.3
521.33423	0.4
623.30994	1.4
683.24957	2.5
683.38684	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	683.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38926	0.3
55.40442	0.4
57.03445	0.8
59.01385	4.5
61.10035	0.4
61.17245	0.4
64.59444	0.4
67.01906	2.6
69.03466	0.6
71.01379	3.5
73.02976	0.6
81.03468	0.5
81.38844	0.4
85.02955	7.2
87.00874	4.4
89.02484	1.8
90.51354	0.4
93.03465	18.1
96.96029	2.5
99.00916	0.6
99.04505	0.7
101.02462	0.8
101.78046	0.4
105.03455	0.6
108.02203	0.5
109.02969	1.1
111.04546	2.6
113.02494	0.9
121.02974	4.1
123.04574	0.6
127.04013	0.9
133.02951	5.4
134.03767	1.8
135.04530	23.8
136.01654	0.6
137.02390	0.9
139.00363	2.1
139.99434	0.4
140.01164	2.5
145.02997	0.5
147.04593	0.6
150.03239	0.7
153.01956	2.4
154.02731	2.6
155.03506	4.9
161.02449	7.5
163.03979	0.9
165.01910	1.0
167.03462	0.9
173.04631	4.3
177.01968	0.5
179.03520	16.7
191.05634	100.0
192.06032	0.8
193.05032	0.7
209.04776	0.5
259.91650	0.4
303.11935	0.4
314.50192	0.4
317.08691	3.1
341.09009	0.7
353.08850	22.9
367.10452	2.0
395.09802	4.9
455.12033	1.1
625.43414	0.5
683.17865	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	683.226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73639	0.4
55.01881	0.8
57.03461	1.2
58.00610	1.2
59.01387	80.9
61.02945	0.6
71.01390	49.3
71.78178	0.7
72.99308	1.2
73.02969	2.4
73.05199	0.5
75.22002	0.5
76.29988	0.5
83.01405	2.5
85.02963	9.1
87.00903	2.8
88.23390	0.6
88.29790	0.6
89.02450	72.0
95.01398	3.0
101.02447	29.5
113.02460	22.9
114.38593	0.6
119.03497	22.1
131.03513	3.8
143.03545	4.0
149.04549	1.2
161.04585	4.1
161.23732	0.5
179.05626	17.7
186.72160	0.6
221.06606	1.0
266.26865	0.5
311.57550	0.5
341.10925	100.0
592.70898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07701	0.6
55.01904	3.9
56.64414	0.7
57.03025	0.6
57.03481	1.0
59.01391	17.9
63.86366	0.7
67.01890	1.3
67.36816	0.8
68.99864	0.9
69.03481	0.8
71.01393	20.3
72.39850	0.7
72.99335	1.4
73.02955	7.2
83.01417	5.4
85.02956	9.0
87.00890	18.6
87.01371	1.0
89.02470	5.3
90.95733	0.9
91.78509	0.8
93.03463	57.4
95.01407	3.6
96.96030	3.5
96.99323	1.1
97.02950	1.1
99.00906	4.3
101.02440	14.8
103.00402	4.3
105.01977	1.1
108.02188	1.6
109.57993	0.8
111.00904	17.8
112.98841	1.2
113.02469	7.5
115.00341	0.8
119.29889	0.8
121.02949	10.3
123.00903	2.1
125.02473	1.7
130.99802	2.9
135.04515	1.9
136.01688	4.5
137.02449	100.0
138.03233	5.4
142.99867	1.2
147.04564	4.2
149.02440	2.7
151.00449	0.9
151.04019	3.7
153.05582	7.4
161.02461	5.1
163.04057	4.3
164.04840	4.6
164.18694	0.9
166.02708	7.2
168.52237	0.8
173.04549	0.8
174.03339	1.1
175.03979	3.3
176.04826	9.2
177.05617	1.1
179.03500	13.1
179.07167	5.0
181.05069	5.6
182.59135	0.8
189.05583	1.4
191.03630	11.8
191.05583	6.4
191.07222	6.7
192.04306	1.5
193.05069	1.0
193.08739	1.0
194.05852	11.5
197.04585	1.1
203.03577	1.2
205.05199	2.0
206.05861	10.2
207.03065	1.2
207.06660	2.0
209.08228	10.8
219.03072	4.7
219.06810	1.6
221.04707	2.0
221.08246	13.9
222.05336	1.1
233.04524	1.1
234.05382	8.4
235.06166	1.7
246.01865	1.0
246.05321	1.2
247.02530	1.9
247.06181	1.7
249.04126	2.0
249.07776	7.3
253.03630	5.3
259.06033	1.5
261.04083	1.4
262.05026	2.8
263.05734	3.5
264.06433	4.4
265.07257	6.8
276.06470	1.4
277.07278	3.4
281.06689	38.1
286.16928	0.8
291.08807	1.1
322.07190	1.2
337.09296	1.5
468.05432	1.1
503.15799	5.5
505.13489	1.3
519.15405	0.9
531.15259	1.7
547.14575	14.1
567.62018	0.9
573.16394	1.5
607.16547	9.3
619.17212	4.6
665.17377	32.2
665.27710	1.5
683.18561	43.1
683.31366	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	681.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
57.03457	3.6
58.00607	3.7
59.01385	100.0
64.34550	1.0
69.03464	1.9
71.01382	56.9
72.99309	1.4
73.02941	10.6
83.01382	2.2
85.02959	16.1
87.00871	3.7
89.02442	59.4
92.10916	1.2
95.01388	5.7
96.95976	1.4
97.02953	1.9
99.00871	13.1
99.04563	1.1
101.02450	27.0
113.02457	18.5
115.04008	1.5
119.03510	11.7
123.04472	0.9
125.02444	7.0
127.28270	1.0
131.03471	1.1
137.09750	1.5
141.01697	1.5
143.03523	1.3
149.04587	4.0
151.00720	1.0
161.04552	1.8
179.05618	2.2
189.12857	1.8
191.05670	9.0
207.13837	1.0
213.22041	1.0
233.06726	4.1
244.62650	1.1
293.08701	1.0
307.88470	0.8
361.15009	1.3
501.23499	7.8
549.25763	1.9
681.29846	89.0
682.29968	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	681.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34038	0.9
56.54159	1.0
59.01397	2.0
60.99315	17.3
62.76732	1.0
62.79547	1.2
79.97510	1.3
81.11572	1.2
87.00880	2.3
88.00425	1.7
88.98807	100.0
89.02449	11.1
92.10782	4.0
151.79494	1.7
210.98930	1.4
323.00769	1.5
447.01138	1.3
566.90320	1.4
647.51196	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	681.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.7
55.11034	1.4
57.03441	6.1
59.01385	34.5
61.98841	20.6
62.20066	1.7
65.87337	1.6
67.11358	1.5
71.01380	48.6
72.31804	1.9
73.02943	18.2
79.82138	1.6
83.01405	4.0
85.02959	19.9
87.00884	3.6
89.02442	25.2
95.01432	2.4
96.20570	1.8
97.02901	2.4
97.81824	1.7
99.00890	13.4
101.02452	34.1
113.02471	18.2
115.76481	1.7
125.02450	3.3
131.03493	4.0
148.41745	1.9
149.04559	4.0
153.89502	1.7
161.04578	8.2
162.74033	1.9
216.56314	2.2
262.88565	1.7
489.28714	3.7
563.75757	2.2
621.32623	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	683.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64767	0.9
52.07919	1.2
54.82832	1.2
59.01385	13.4
60.99317	22.8
71.01386	6.7
73.02938	1.9
75.00867	1.3
81.03459	1.4
87.00866	1.3
87.82301	1.2
88.98805	100.0
89.02444	6.1
92.10108	2.8
93.03454	6.1
96.96008	1.8
101.02425	2.9
113.02474	2.2
116.92871	10.9
121.02974	1.8
125.02380	1.6
135.04498	4.5
145.24242	1.1
161.02478	1.9
173.04628	1.5
179.72610	1.2
185.05991	1.7
191.05588	5.1
207.10266	1.3
227.03502	16.1
229.05157	8.5
255.03030	31.0
256.03668	2.2
284.03296	42.3
285.04095	48.5
593.15155	62.3
678.07208	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	679.3716
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
52.97476	0.7
57.03484	0.7
58.00604	1.1
59.01393	33.0
59.01695	1.1
61.98844	0.9
71.01397	17.7
72.52786	0.7
72.99292	2.6
73.02955	2.7
83.01421	1.2
85.02972	6.4
89.02454	18.2
93.03472	1.1
95.01399	1.1
96.96041	1.8
101.02448	11.5
106.15828	0.8
113.02442	6.9
116.92920	0.9
119.03510	6.8
123.43654	0.7
133.02962	1.0
134.03757	0.8
135.04510	1.1
161.02519	1.3
161.04570	1.0
173.04565	1.0
179.03473	1.3
191.05640	4.2
193.05057	0.7
300.02795	0.8
351.38199	0.7
467.28036	1.1
471.31293	0.8
473.32953	6.7
499.30743	1.0
517.31757	100.0
518.32111	1.1
531.33826	1.2
559.33472	3.0
679.37305	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53044	0.2
57.90639	0.2
61.98834	100.0
67.95594	0.2
78.35722	0.2
112.74873	0.2
127.74963	0.2
135.87230	0.2
160.25780	0.2
170.97139	0.2
190.29048	0.2
284.40555	0.2
307.30515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
104.40372	0.4
118.27869	0.4
133.59656	0.4
135.56548	0.4
147.47849	0.4
172.30725	0.4
173.27934	0.4
269.64233	0.5
305.29340	0.4
380.20416	0.5
443.57925	0.5
443.64737	0.5
471.34821	0.6
472.34976	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	679.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01381	5.3
62.31802	0.4
66.29311	0.5
71.01386	6.5
71.01660	0.4
73.02953	2.8
85.02958	3.8
87.06103	0.5
89.02451	4.9
92.10126	0.6
97.02960	0.5
99.00867	1.1
101.02443	7.2
113.02480	2.1
113.19140	0.5
118.37161	0.6
119.03480	0.5
131.03505	0.7
135.04504	0.6
161.02473	2.2
161.04529	2.0
314.18744	0.5
316.16806	0.6
343.95551	0.5
349.24030	3.8
381.10120	0.6
511.29193	1.2
565.53790	0.6
643.33533	24.3
679.31189	100.0
680.31567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29314	0.9
56.42176	0.9
57.03447	1.6
57.41736	1.0
59.01399	16.0
59.85781	0.9
61.98820	1.0
71.01388	13.3
73.02953	4.9
83.01428	1.7
83.05061	1.1
85.02971	7.3
87.00887	21.8
89.02449	14.3
96.96025	5.6
97.03020	1.4
99.00900	7.2
101.02457	9.1
113.02447	2.4
115.04065	2.1
119.05093	1.1
125.02458	4.4
126.52335	1.6
131.03455	1.2
135.04446	1.8
141.01923	1.7
145.10779	1.1
149.02481	1.3
159.03110	1.3
161.35394	1.1
173.04475	1.9
179.03543	1.6
191.05624	2.1
233.06654	2.3
265.40753	1.3
349.23941	9.3
516.04877	1.3
615.47852	1.2
618.05823	1.5
643.33490	65.3
679.31158	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	679.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03447	0.5
59.01383	9.5
61.98824	0.9
63.70218	0.4
69.03463	0.6
71.01383	5.6
73.02956	0.7
82.95419	0.9
83.01367	0.7
84.95122	5.6
85.02959	2.6
87.42553	0.4
89.02466	2.2
93.03492	0.8
95.01424	0.8
95.04991	0.5
96.96012	0.7
100.81837	0.5
101.02415	3.6
109.02972	3.0
109.30617	0.5
111.00921	0.6
113.02442	1.0
116.92884	0.8
117.05556	0.8
121.02960	1.1
123.00900	3.7
124.01738	0.6
125.02429	1.1
133.02971	0.9
134.03784	0.5
135.04628	0.6
137.02446	17.1
139.04025	0.7
148.73987	0.5
149.02469	2.3
150.03203	0.9
151.00383	24.7
151.04008	2.7
152.01134	2.3
152.04814	3.7
159.04523	0.7
160.01704	0.7
161.02422	1.1
163.04041	0.7
164.04697	0.6
165.01964	0.7
166.02719	93.4
167.03484	4.5
171.50122	0.5
175.03990	2.4
177.01901	4.7
179.03517	1.2
179.07095	0.6
181.05074	97.0
182.05388	0.6
184.03793	2.1
190.06459	1.0
191.03543	1.1
191.05499	1.0
192.04210	0.9
193.05083	0.9
205.04967	1.0
205.08752	0.7
205.65617	0.5
207.06645	2.0
219.06706	1.1
301.07153	0.6
359.11429	3.1
387.10904	24.2
402.13229	10.9
417.15631	100.0
418.15958	2.6
545.48462	0.5
561.19769	2.0
641.38409	1.1
679.30292	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	679.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31525	0.5
59.01388	45.8
61.98837	0.8
71.01385	9.7
73.02981	1.3
85.02972	4.3
89.02448	9.7
92.10288	1.5
92.10824	1.1
93.03492	1.0
96.96024	4.1
99.00890	3.0
101.02429	4.7
101.03502	0.7
113.02470	3.3
116.92812	1.0
119.03487	2.6
120.99680	0.9
121.02905	0.7
131.03523	1.0
134.03783	0.8
135.04518	1.1
136.01657	1.0
145.02968	1.2
149.04642	2.3
151.04036	0.8
160.05341	1.2
161.02521	1.6
161.04549	1.0
175.04027	1.0
177.01974	4.9
178.02676	0.7
179.05693	0.9
188.04803	3.9
189.05666	3.7
191.03766	0.9
191.05678	5.6
192.04320	4.8
193.05086	5.5
203.03506	2.4
203.07222	3.2
204.04179	2.3
204.07965	3.2
205.05110	23.4
207.06668	0.9
208.07481	4.2
208.09262	0.7
219.06766	0.8
231.02979	2.5
232.03828	1.0
236.06821	0.8
241.05098	6.0
241.07401	0.7
246.05397	3.9
247.06171	6.9
248.03438	0.8
248.06770	1.0
249.04095	26.8
256.07510	1.3
261.07730	0.7
262.08575	0.8
263.05704	1.2
263.09183	2.7
264.06433	48.6
265.07080	1.3
271.09756	5.3
277.10867	1.4
278.07980	0.9
279.08792	100.0
280.09433	3.7
293.10434	0.8
294.11154	60.9
295.11923	16.2
319.12045	0.9
351.10861	1.4
425.14505	2.5
457.17307	94.0
458.17322	1.5
564.68573	0.7
641.70959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49136	0.6
57.23581	0.5
61.98835	100.0
85.22658	0.7
106.21546	0.6
120.03528	0.7
123.67625	0.7
138.85919	0.7
149.81264	0.7
161.72775	0.7
168.17709	0.6
553.49817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22732	0.5
59.01389	5.8
59.96916	0.5
61.70852	0.6
68.40927	0.5
70.31705	0.6
71.01389	3.5
75.00902	0.6
78.95939	0.9
79.95760	2.9
81.41451	0.6
82.95447	2.3
84.95121	6.2
85.02951	1.2
89.02459	3.5
92.10045	0.7
93.03471	1.2
96.96011	100.0
96.97009	2.6
99.00869	0.7
101.02447	2.3
109.02944	0.7
113.02500	1.2
133.02950	6.3
134.03758	7.8
135.04538	29.6
137.02457	3.5
145.02968	1.3
148.05350	1.2
149.02426	0.7
149.06078	8.9
160.01656	1.4
161.02458	26.8
161.04475	0.8
165.01921	2.2
175.03983	3.9
177.01965	3.5
177.05592	16.4
178.02696	2.1
179.02075	1.0
179.03535	24.2
191.05545	4.2
193.05087	3.8
203.03508	0.9
205.04921	0.7
212.64886	0.7
221.04614	15.3
251.05693	2.1
281.06879	5.7
285.04352	0.6
323.07712	0.9
337.09531	0.9
341.08707	0.8
443.11511	0.8
487.40982	0.8
488.01147	0.8
499.12857	1.2
517.13525	7.1
552.94348	0.7
559.14667	3.6
589.15515	2.4
619.17004	12.2
679.18829	2.9
679.30237	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	679.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51909	1.8
51.26151	1.7
59.01389	15.3
62.11224	1.7
63.49512	1.7
71.01393	9.4
73.02964	2.0
78.01651	2.0
81.44566	2.0
84.50921	1.9
85.02966	3.1
89.02458	4.5
93.03464	2.2
101.02463	3.7
111.31311	2.3
113.02483	2.2
117.03412	2.0
121.02921	2.9
133.02951	17.7
134.03746	20.6
135.04533	100.0
137.02432	4.4
148.05293	3.6
149.06079	26.8
160.01663	8.8
161.02451	68.3
161.67943	2.4
175.04002	12.9
177.01904	2.9
177.05566	57.4
178.02710	2.0
179.02051	4.2
179.03520	91.6
179.05116	3.2
189.05592	3.3
191.05653	8.8
193.05032	9.5
194.05849	2.0
225.36971	2.1
251.05612	9.8
281.06769	25.3
311.07721	2.1
337.09134	2.6
517.13831	10.0
559.14673	12.9
589.15765	10.3
619.16718	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79963	1.0
55.01904	1.4
58.00634	1.2
59.01385	40.7
71.01382	31.1
73.02956	6.5
83.01402	2.0
85.02969	6.7
87.00907	5.7
89.02450	25.7
97.02969	5.5
99.00883	1.3
101.02436	23.2
109.48975	1.1
113.02460	8.9
119.03509	7.5
125.02473	7.5
140.35149	1.3
143.03557	2.5
161.04562	5.4
179.05681	5.4
204.25775	1.2
235.08282	5.3
279.23318	100.0
301.35269	1.4
305.08691	1.4
397.13541	50.8
415.14700	24.2
469.33359	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	677.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71375	0.3
76.15668	0.3
84.97660	0.3
90.94694	0.3
93.03477	0.5
117.03474	4.5
119.05025	97.0
120.05356	0.5
121.02965	1.5
145.02959	8.1
147.04520	2.2
163.04021	96.2
164.04401	0.5
191.24977	0.3
223.27933	0.3
228.59610	0.3
401.08813	0.4
423.32413	0.9
430.66202	0.3
453.33820	15.4
464.48328	0.4
469.33105	0.7
555.38586	0.4
573.39508	1.3
617.38593	100.0
618.38574	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	677.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77460	1.7
50.77714	1.4
50.85835	2.1
52.03121	1.7
59.01391	30.7
61.98853	1.7
65.21160	1.7
68.16809	2.0
71.01380	25.4
72.99321	1.9
73.02962	10.5
82.69562	1.9
85.02979	7.7
87.00899	2.5
89.02462	33.1
93.03495	6.9
96.96016	7.4
99.00887	13.1
101.02468	12.6
113.02475	6.6
121.03001	3.3
125.02454	2.3
131.03506	3.1
133.03009	2.7
135.04543	4.1
137.02405	2.7
149.04573	11.9
155.75497	1.8
160.01654	3.8
161.02483	2.8
175.04076	4.1
179.03645	2.4
191.05681	15.3
193.05084	3.8
238.18683	1.8
258.44067	1.9
266.52029	2.1
315.32098	2.5
503.15683	3.5
540.06775	2.3
617.30298	2.9
621.75513	2.5
623.31024	19.5
641.31982	13.8
677.29742	100.0
677.41577	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	677.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12077	6.8
59.01387	75.5
61.98824	13.5
63.49314	6.6
71.01385	54.3
73.02988	10.7
77.19817	7.2
85.02965	33.6
88.98822	29.5
89.02451	50.8
93.03461	54.5
93.75000	6.7
96.96021	32.4
99.00913	8.2
101.02454	48.3
113.02454	11.8
121.02989	12.0
122.19495	6.7
135.04543	81.8
137.02434	80.6
160.05269	29.5
161.02405	11.6
161.04512	9.7
164.27257	9.0
168.63326	7.1
191.05638	47.2
197.94397	8.4
281.06601	37.3
292.07086	7.8
329.14227	10.5
479.19138	16.3
489.63043	13.0
637.67499	10.1
641.22351	37.6
641.37677	43.2
677.27771	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	677.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.8
59.01380	9.6
66.95921	0.7
69.73600	0.6
71.01381	11.5
72.99323	0.6
73.02951	4.9
82.95419	100.0
83.01380	3.0
84.49329	0.6
85.02526	0.6
85.02957	6.0
86.85564	0.6
87.00880	1.0
88.24123	0.6
89.02441	6.3
93.03456	46.4
95.01389	0.7
99.00878	4.0
101.02436	10.2
113.02460	5.3
114.38443	0.7
119.05054	0.6
121.02948	0.7
125.02435	3.3
136.01639	1.2
137.02454	87.7
138.04501	0.6
153.01868	0.6
161.04524	1.3
168.53331	0.6
179.03481	6.1
221.04477	0.7
239.05586	2.5
263.15097	4.4
281.06680	2.9
427.57266	0.8
501.32748	0.7
515.28369	0.6
604.20844	0.8
641.31952	1.2
677.26654	54.7
678.26697	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	677.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96394	0.8
59.01386	92.3
63.11053	0.9
71.01380	17.8
85.02959	7.2
89.02441	22.8
95.01389	1.3
96.95996	1.0
101.02450	13.1
113.02458	8.3
119.03503	8.7
125.06096	1.2
135.04582	1.0
143.07181	4.3
144.45193	1.0
181.49522	0.9
191.05635	17.1
217.70905	1.0
217.75021	0.9
218.12488	0.9
323.13516	100.0
353.08838	1.1
353.14374	1.1
409.49741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01385	21.2
64.96510	0.5
67.01907	3.9
71.01382	12.4
72.99300	0.6
73.02941	1.2
75.00865	0.5
81.13437	0.5
83.05053	0.5
85.02950	10.3
87.00899	2.9
89.02448	11.2
93.03452	29.8
95.01397	1.0
95.05041	0.6
96.96033	1.3
99.00887	0.8
101.02444	5.7
101.06067	7.0
101.06577	0.5
103.00356	0.8
105.03487	3.1
107.05030	0.6
109.02969	0.9
111.00858	0.7
111.04515	5.9
113.02450	6.2
119.03514	3.7
121.02934	1.0
124.87054	0.5
127.04018	1.3
131.03497	0.6
133.02968	13.1
134.03729	1.3
135.04530	67.8
137.02417	5.7
149.30278	0.6
155.03508	5.8
158.67168	0.6
161.02449	3.7
173.04558	100.0
177.01932	2.5
179.03508	51.4
191.05630	49.8
239.24570	0.6
277.00644	0.6
323.13501	30.9
345.15921	0.7
351.07410	4.1
351.13052	8.8
351.17004	1.0
353.08829	57.4
665.26538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98844	9.9
71.01388	51.0
72.99323	3.1
73.02953	1.7
75.22009	1.7
85.02988	13.3
87.00889	3.6
89.02444	48.7
89.02934	2.7
93.03471	4.3
96.96002	13.0
99.00888	4.0
101.02441	26.7
105.05036	2.1
113.02454	17.1
116.92893	3.3
119.03522	20.2
121.02971	8.1
122.03769	3.0
123.04502	2.8
131.03503	2.3
133.02954	2.6
134.03752	28.8
135.04535	8.0
136.01666	38.6
143.03560	2.9
145.03038	3.6
149.02448	14.0
149.04532	2.1
149.06071	16.1
150.03238	43.4
151.04018	30.4
161.02393	4.0
161.04590	4.0
162.03252	23.2
164.04869	2.1
165.05588	31.3
173.06937	2.1
177.05592	11.7
179.05562	12.9
180.04303	3.0
191.04039	2.6
191.05583	18.6
195.06638	20.1
213.05643	2.8
223.06146	2.3
237.05708	2.9
241.05171	25.0
252.07948	2.4
253.05016	3.3
255.06705	4.0
256.07523	13.6
265.07050	2.7
270.09198	2.3
271.09882	20.1
283.09805	3.8
288.63153	1.9
299.09396	3.5
301.10696	4.0
305.24405	2.0
372.97946	2.4
411.76904	2.4
449.16281	3.8
479.16928	4.5
505.05829	2.4
515.17902	4.6
616.31012	2.9
617.30786	12.4
629.22760	2.5
677.24792	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	677.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69538	0.1
59.01384	1.3
59.32576	0.1
71.01380	18.3
73.02940	0.2
75.00829	0.1
77.03971	0.2
85.02948	0.5
87.00896	0.2
89.02463	1.3
93.03474	0.3
96.96021	1.0
98.24471	0.1
98.95609	0.2
99.00849	0.6
101.02454	0.3
104.71996	0.1
106.23010	0.1
113.02484	0.2
114.99544	0.2
115.00371	9.7
121.02951	100.0
122.03291	0.7
131.03435	0.2
135.04521	0.2
137.02428	0.2
149.04564	0.2
161.02335	0.2
173.04520	0.2
191.05618	4.6
192.05942	1.1
193.06068	0.7
237.04060	11.0
259.79984	0.2
273.31461	0.1
318.86072	0.2
337.09650	0.2
338.09479	0.2
365.75299	0.2
448.16959	0.2
617.31775	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	677.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	0.6
59.01389	19.3
65.63208	0.5
65.69126	0.4
67.01910	3.4
71.01396	10.0
71.68143	0.4
72.30483	0.5
72.99306	1.0
73.02952	0.9
73.90607	0.4
75.00893	0.8
81.03513	0.6
83.01406	0.5
83.05048	0.7
85.02970	6.4
85.06603	0.5
87.00870	3.6
89.02448	9.0
89.09268	0.5
93.03457	16.3
95.05020	0.8
96.95998	1.6
99.00899	2.0
101.02447	6.5
101.06065	6.4
103.00415	0.6
105.03477	3.9
107.05057	0.7
109.02971	1.2
111.00900	0.5
111.04545	4.7
113.02458	4.5
119.03495	3.0
119.05048	2.8
121.02962	6.8
123.04560	1.0
131.07150	2.9
133.02963	19.2
134.03815	0.7
135.04530	100.0
137.02446	2.8
137.67967	0.5
149.02496	0.6
149.04604	0.6
150.03278	0.6
155.03525	2.2
161.02502	3.6
163.04036	4.1
173.04562	54.4
177.01956	4.2
179.02029	1.1
179.03510	18.8
191.05640	33.6
204.12105	0.5
215.05670	1.9
225.02081	0.5
225.04086	2.8
293.12473	5.3
323.13498	14.6
351.07242	7.7
351.12842	5.5
351.16589	0.5
353.08835	18.1
451.18405	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	677.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
57.28516	0.2
58.67588	0.2
59.01381	3.4
60.99344	0.3
61.98846	1.1
64.32967	0.3
67.01917	1.3
69.03477	0.5
71.01382	2.5
72.99324	0.6
73.02989	0.4
78.46783	0.3
79.95802	0.3
81.03452	0.4
82.85205	0.3
83.05044	0.3
85.02957	5.8
85.03381	0.3
87.00879	4.1
89.02457	1.5
90.62619	0.3
92.65037	0.3
93.03458	13.0
96.62800	0.3
96.96032	1.1
99.00874	0.4
101.02437	1.0
107.05064	0.3
109.02980	0.7
110.80906	0.3
111.04527	2.9
113.02460	0.4
116.92877	0.5
117.03482	0.3
119.05051	0.5
122.70146	0.3
127.04049	1.9
127.07679	0.3
129.01953	0.4
129.09251	0.7
133.02974	4.7
134.03767	0.5
135.04533	28.5
135.08954	0.3
137.02446	0.6
142.77277	0.3
150.03180	0.3
155.03516	0.3
161.02463	18.6
165.02045	0.3
171.03004	0.6
173.04602	4.1
173.08223	0.6
175.04047	0.6
177.01958	0.7
177.05640	0.4
179.03513	19.7
180.04172	0.3
191.05638	100.0
192.05971	0.6
199.09970	0.3
209.04611	0.5
221.04620	0.6
286.71295	0.3
323.07648	1.9
336.61792	0.3
353.08856	2.4
395.09885	1.3
443.15445	0.4
485.10513	0.4
503.12515	0.3
515.14087	13.4
621.14465	0.3
677.17181	17.2
677.28662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94964	0.4
57.03469	0.7
59.01387	6.0
61.98864	0.4
67.01919	1.9
71.01391	3.7
73.02960	0.6
81.03455	0.9
83.05089	0.5
85.02962	8.8
87.00887	3.7
89.02463	3.3
93.03470	15.6
94.54675	0.5
96.96053	2.0
99.00900	0.9
99.04530	0.5
101.02459	1.0
105.23577	0.5
109.02983	1.2
111.04535	1.9
113.02483	0.7
113.65942	0.5
121.02939	1.0
127.04048	1.8
132.02217	0.7
133.02945	7.9
134.03781	0.8
135.04533	31.4
137.02452	5.9
147.04509	0.5
149.04710	0.6
149.06134	0.6
155.10779	1.9
161.02457	30.8
165.01907	2.2
165.05322	0.5
167.03535	0.6
173.04552	5.7
175.04039	1.0
179.03522	21.8
180.04306	0.7
191.05634	100.0
192.06050	0.8
193.04971	0.9
195.06583	0.8
221.04726	0.6
243.14862	0.6
274.21466	0.5
323.07870	5.2
353.08801	1.0
426.67908	0.5
461.19696	0.6
479.21283	3.2
485.10803	1.1
503.11572	1.0
515.13208	1.0
525.49615	0.5
617.31158	0.9
665.66980	0.6
677.17340	33.0
677.29889	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	675.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09594	1.7
56.84160	1.6
59.01392	17.1
71.01391	17.9
73.02949	7.1
82.33464	1.4
85.02968	8.4
89.02458	8.0
96.88348	1.8
99.00880	7.5
101.02444	16.9
113.02460	6.6
122.78642	1.6
161.04594	2.5
176.63443	1.6
191.05728	2.9
396.01025	1.6
507.35785	2.1
580.84155	2.2
637.38275	20.4
639.39709	87.7
675.37415	100.0
676.38226	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	675.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	27.3
61.98837	7.5
63.67380	1.6
65.56049	1.7
71.01388	16.3
73.02959	3.7
83.01405	1.8
83.05025	2.1
85.02960	6.3
89.02457	12.2
96.96021	17.4
99.00877	3.3
101.02451	14.6
105.44489	1.7
113.02475	7.9
116.92694	1.6
125.02452	2.1
131.03474	1.7
141.01692	2.6
149.04523	1.6
149.69202	1.6
179.53757	1.6
191.05754	1.8
209.11896	30.8
211.13428	2.4
227.12912	1.7
229.14491	23.9
240.90897	1.8
340.45813	1.6
507.35016	3.4
615.34216	2.1
637.38104	8.4
639.39764	76.3
675.37384	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	675.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26393	0.3
59.01390	100.0
59.57085	0.3
71.01393	1.6
75.98911	0.3
83.05051	0.4
84.36143	0.3
84.95148	1.6
85.02981	1.6
93.03482	0.4
95.01383	1.8
96.99312	1.7
100.40412	0.3
101.02458	0.6
109.79671	0.3
111.04567	0.5
113.02486	0.6
141.01712	34.8
141.09235	1.8
274.32590	0.3
427.19571	0.6
428.41312	0.3
475.25500	0.7
482.15515	0.4
513.28595	0.5
571.27887	4.7
615.29926	5.8
620.97015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.3
57.03466	1.2
58.00609	2.1
59.01389	59.1
63.28007	0.6
64.69505	0.4
69.03480	2.5
71.01384	39.9
72.99321	2.5
73.02950	8.5
75.00898	0.6
81.03498	0.7
83.01379	4.1
84.98721	0.4
85.02948	9.2
87.00867	6.6
89.02441	34.7
95.01388	3.3
97.02937	6.2
97.91109	0.5
99.00882	2.1
99.04523	0.6
101.01781	1.1
101.02437	29.5
111.04541	0.7
112.34663	0.5
112.70542	0.5
113.02449	13.2
113.03151	0.9
119.03507	9.2
121.02965	0.6
125.02447	10.4
131.03473	0.8
132.06961	0.5
133.05008	1.0
143.03529	5.2
161.04544	6.2
169.05135	0.6
179.05583	5.1
187.32813	0.5
221.06673	1.0
235.08224	8.6
253.09317	2.5
263.07703	0.9
275.19974	0.7
277.21744	100.0
278.21967	0.6
287.07770	2.1
293.23965	0.6
298.30414	0.5
305.08871	2.3
323.09863	0.7
397.13556	72.2
406.20032	0.5
415.14633	28.7
515.79047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83042	0.6
52.51960	0.7
53.71927	0.7
55.01892	3.1
55.64252	0.6
57.03457	1.1
58.00576	0.8
59.01385	61.5
62.97865	0.8
64.00568	0.6
69.03465	1.6
71.01380	39.9
72.99302	1.7
73.02940	7.2
75.00874	1.0
81.03451	0.7
83.01398	4.7
85.02963	9.5
87.00861	5.8
89.02441	35.4
95.01388	3.1
97.02935	7.3
99.00868	0.9
101.02440	25.0
102.62138	0.7
113.02454	17.0
117.15839	0.7
119.03468	8.5
125.02454	10.6
131.03532	1.1
143.03542	1.8
161.04590	6.2
179.05666	4.8
194.46431	0.8
221.04697	0.9
221.06744	3.3
221.54288	0.8
235.08199	11.6
253.09352	3.1
263.07718	1.6
277.21750	100.0
287.07611	1.7
305.08829	1.9
319.49991	0.8
397.13565	65.5
415.14648	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03489	1.1
58.14172	1.1
59.01391	8.3
61.98840	7.2
64.34296	1.0
66.26450	1.0
71.01392	14.0
73.02941	2.7
85.02965	5.8
89.02444	6.0
90.59341	1.1
92.10814	5.1
101.02445	6.5
113.02456	4.6
119.99127	1.2
132.33989	1.3
161.04607	1.5
169.14909	1.2
507.35281	1.7
610.09467	1.2
639.39777	84.5
640.40051	2.1
675.37415	100.0
676.38123	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	675.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69796	0.5
55.01903	0.7
57.03459	1.1
58.00599	1.2
59.01384	54.9
67.01910	1.0
69.03457	0.8
71.01382	39.0
72.99329	3.3
73.02941	14.2
83.01395	1.3
85.02950	9.2
85.29166	0.6
87.00889	5.0
89.02442	70.0
92.10163	1.0
93.03468	9.7
95.01383	0.8
96.96007	0.8
97.02953	2.0
99.00880	23.1
99.01523	0.8
99.04528	0.6
101.02438	24.5
101.03088	0.8
102.27009	0.5
111.04531	1.2
113.02446	10.7
115.00379	0.6
115.04038	0.7
119.03508	6.0
119.05023	7.1
121.02962	0.6
125.02426	2.9
127.04088	0.9
129.02094	0.7
131.03511	8.5
133.01535	0.7
133.02962	1.0
134.03717	0.7
137.02510	0.7
145.02991	0.8
149.04575	16.6
161.04503	1.3
163.04002	5.8
173.04550	13.6
191.05632	48.5
192.06027	1.0
211.84271	0.5
253.58464	0.5
293.09174	0.6
303.00510	0.5
337.09259	7.5
353.08380	0.7
421.23251	0.7
483.26117	0.7
489.50378	0.6
494.34784	0.6
501.80969	0.6
511.42191	0.7
615.30341	100.0
616.21466	0.6
616.30579	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83151	1.0
55.01899	4.4
57.03475	1.4
59.01390	41.2
61.98846	1.3
62.73423	0.9
68.44886	0.9
69.03467	1.7
70.10886	0.9
71.01385	42.6
72.99332	4.7
73.02946	20.3
73.03301	1.3
75.00896	1.1
83.01394	8.4
84.90091	0.9
85.02952	22.2
85.03383	1.2
87.00904	4.2
89.02450	22.1
93.03446	8.6
95.01406	4.0
96.96022	7.6
97.02937	6.9
99.00882	8.4
101.02437	42.3
111.00887	1.5
113.02442	18.0
115.03999	2.4
119.03508	2.1
121.02925	6.9
123.00892	1.6
125.02480	7.1
127.04058	1.1
131.03500	2.1
133.02968	1.8
135.04556	5.5
137.02461	8.7
141.01962	1.5
157.10202	8.9
159.03023	9.8
161.04547	8.7
165.05670	1.1
177.01855	1.3
179.03497	5.0
189.09251	5.3
191.05627	11.1
212.41055	1.0
218.27777	1.0
237.04037	1.1
273.47266	1.1
281.06802	1.7
287.09314	1.6
297.48785	1.3
321.15878	1.5
321.19263	24.1
393.62695	1.2
453.23633	18.0
483.24432	5.5
615.28876	100.0
616.29285	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	675.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70511	1.3
54.35590	1.4
55.07767	1.4
59.01388	22.5
60.32963	1.4
61.98841	17.8
71.01383	18.4
73.02949	4.0
74.08521	1.7
79.75254	1.5
83.01389	2.1
85.02972	3.4
89.02463	16.5
95.01414	1.9
99.00900	3.5
101.02445	13.1
113.02447	2.0
115.16013	1.6
117.39219	1.5
161.04501	1.8
179.05679	1.7
203.53110	1.8
229.88255	1.8
251.72279	1.8
267.16629	1.8
285.26715	1.6
339.20273	1.9
546.48157	1.9
593.27722	2.0
615.33789	15.4
639.33136	12.5
675.31378	100.0
676.32770	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	675.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90372	0.7
55.44204	0.7
58.60943	0.7
59.01384	39.5
59.31141	0.7
70.48556	0.8
71.01379	16.8
71.05027	3.8
73.02962	1.2
74.29757	0.9
80.68852	0.8
82.79929	0.7
83.14754	0.9
85.02957	2.1
87.00877	3.6
88.76251	0.7
88.92823	0.8
89.02447	23.2
92.10107	1.9
93.03513	0.9
96.96015	1.5
99.04523	13.2
101.02460	12.5
108.16872	0.8
111.04525	0.9
113.02442	7.4
117.05584	23.7
119.03539	9.3
119.82244	0.9
131.03606	1.0
133.02937	1.5
159.06586	0.8
175.04364	1.0
179.05653	1.3
191.05447	1.1
263.05890	1.1
279.10864	100.0
301.43250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28170	0.6
59.01377	1.7
66.95934	1.3
70.83427	0.7
80.91671	1.1
82.95421	100.0
85.02896	0.8
89.02538	0.8
91.85364	0.8
123.37342	0.9
132.21942	0.8
134.03532	0.8
135.04562	5.4
137.63054	0.7
157.33014	0.8
179.03513	3.1
212.87820	0.7
513.50006	0.8
560.46954	0.8
615.34192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2803
Annotation	Henriol D
Peak:m/z	Relative Intensity
58.01853	1.9
59.01389	30.5
61.98847	15.5
65.28678	1.8
71.01388	24.2
73.02969	4.2
85.02987	8.7
89.02448	19.1
93.03450	3.2
96.96028	4.3
99.00883	2.3
101.02457	9.1
109.02992	5.0
113.02521	2.8
119.05064	2.7
121.02948	2.9
125.02407	2.0
137.02489	2.6
141.01717	4.6
143.27220	2.1
147.04520	4.4
159.04576	4.1
161.02434	7.9
166.02763	2.8
179.03354	2.2
191.05621	8.7
216.06215	1.9
269.08206	9.9
281.06729	2.4
299.15515	2.0
306.34180	2.3
363.21951	3.8
503.24969	2.9
536.76563	2.5
639.29901	17.7
675.27869	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	675.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.1
59.01381	1.9
60.55681	0.1
60.99304	0.1
61.98856	0.1
67.01905	0.4
69.03472	0.1
71.01382	2.1
72.99310	0.1
73.02948	0.4
81.03479	0.1
83.01395	0.1
83.05032	0.2
85.02947	6.3
87.00865	1.5
89.02439	1.0
90.88461	0.1
93.03452	3.5
93.03991	0.1
95.01392	0.1
96.95999	0.9
99.00907	0.4
99.04546	0.1
101.02451	0.7
108.02131	0.1
109.02964	0.4
111.04517	1.1
111.55446	0.1
113.02450	0.4
115.00370	0.5
115.61383	0.1
117.03444	0.2
119.05022	1.1
121.02955	5.4
123.00892	0.3
127.04003	1.8
129.01927	0.1
135.04456	0.1
145.02988	1.1
149.04591	0.1
150.03239	0.1
152.01189	0.1
153.01956	0.1
155.03534	0.1
163.04045	1.2
165.05623	0.1
166.07642	0.1
167.03430	0.1
171.02994	0.6
173.04553	1.7
179.03421	0.1
188.88901	0.1
190.77603	0.1
191.05637	100.0
192.06000	0.9
193.05249	0.1
206.91647	0.1
237.03957	0.6
272.06882	0.1
287.09268	0.9
310.69574	0.1
337.09348	18.0
338.09689	0.4
353.06558	0.1
354.34018	0.1
437.72067	0.1
615.30310	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	675.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00739	0.8
55.01890	0.9
55.14099	0.8
57.03469	1.0
59.01385	20.6
60.99322	6.5
61.98825	1.8
63.63635	0.8
66.68807	0.9
67.01901	4.7
68.21774	0.9
69.03457	1.4
71.01380	23.2
72.99334	1.1
73.02965	6.6
81.03440	1.1
82.95428	1.2
83.01396	1.1
83.05037	1.0
85.02955	11.5
87.00874	10.7
88.98806	25.7
89.02448	17.1
93.03461	94.6
95.01392	3.8
96.96014	2.5
97.02934	1.3
99.00896	6.2
101.02433	11.4
109.02999	1.1
111.00882	3.8
111.04527	5.2
113.02445	8.2
119.03569	2.3
119.05030	20.8
121.03011	1.0
125.02428	1.4
131.03462	1.3
133.02997	1.9
134.03741	4.6
135.04567	4.3
136.01700	2.4
137.02449	100.0
138.02966	0.9
145.02989	3.7
149.39644	1.1
151.03918	1.0
160.01669	4.7
161.02469	7.5
163.04041	9.9
168.19106	1.1
173.04565	12.9
175.04054	6.3
179.03525	8.2
191.05635	55.0
193.05077	2.2
239.05647	1.7
251.41679	1.1
274.74011	1.0
281.06723	2.0
289.34619	1.1
331.02914	1.3
337.09607	1.7
499.14609	9.0
540.18469	1.2
607.05298	1.1
614.81293	1.6
615.30957	4.0
639.29242	1.7
675.26849	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88102	0.2
59.01384	0.9
59.19875	0.2
61.98835	100.0
71.01396	0.5
73.02946	0.3
76.33996	0.2
78.80925	0.2
78.95911	0.5
81.97852	0.2
83.07062	0.2
85.02963	0.4
93.03453	0.9
96.96009	0.5
99.00898	0.2
101.99326	0.2
107.17596	0.2
111.00898	0.2
119.05039	0.4
120.86600	0.2
125.35854	0.2
147.04436	0.2
150.03119	0.2
160.43799	0.2
161.02454	0.5
163.03906	0.4
173.04602	0.2
183.35770	0.2
191.05594	1.2
195.73538	0.2
326.24850	0.2
350.40341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.34
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17381	0.5
58.47112	0.6
59.01395	4.3
60.01721	0.5
61.98835	100.0
67.37332	0.5
71.01383	4.6
72.01687	0.6
73.02945	1.1
74.38615	0.5
83.01406	0.6
85.02964	2.3
86.03271	0.5
96.92571	0.6
101.02452	4.2
102.02853	0.5
113.02462	1.3
128.75798	0.6
128.94751	0.6
152.02864	0.6
235.02574	0.6
252.25621	0.6
337.12216	0.6
613.35217	6.5
614.35254	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	673.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	12.7
61.98828	6.2
64.13257	1.0
71.01392	16.1
73.02930	6.8
83.01391	1.6
85.02966	7.7
87.00850	1.2
89.02438	6.4
97.02950	1.1
99.00860	4.2
101.02435	11.6
109.88618	0.9
113.02443	5.8
121.10191	1.1
159.02942	1.2
191.05688	1.8
209.11844	1.9
225.75638	1.1
343.28662	1.2
505.33572	2.0
613.31616	1.8
627.33008	1.2
637.38190	100.0
638.37842	3.9
673.35577	50.0
683.20758	1.2
695.56708	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	673.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	5.0
57.03475	2.9
57.17152	0.3
58.00597	0.5
59.01396	28.0
61.98845	18.5
61.99166	0.6
65.25925	0.3
69.03482	0.9
71.01395	33.9
72.99323	0.8
73.02956	14.9
75.00857	0.6
75.37599	0.3
81.03474	0.5
83.01408	7.3
85.02966	17.0
86.00101	1.5
87.00880	2.4
89.02451	14.1
95.01392	2.8
97.02939	2.7
99.00903	7.3
101.02450	35.4
111.00869	0.7
113.02454	14.6
115.03996	1.7
119.03512	2.2
125.02477	1.8
129.01952	0.6
131.03519	2.0
143.03510	1.9
147.98973	0.4
149.04547	0.8
159.02991	2.3
161.02493	0.5
161.04553	5.5
191.05582	1.6
209.11905	4.1
211.89455	0.4
233.06628	0.7
265.36160	0.4
317.50061	0.4
481.31708	8.0
613.36066	100.0
614.36230	1.7
681.24847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
56.75555	0.3
59.01391	4.3
61.98837	2.2
71.01392	1.9
73.02956	0.6
76.57555	0.3
78.81176	0.3
80.02670	2.1
81.03462	1.6
83.01398	0.6
83.05024	5.7
84.02179	1.4
85.02943	0.6
89.02437	1.9
93.03448	0.4
95.05032	0.6
101.02436	2.7
113.02444	1.3
125.06105	0.6
135.08151	0.6
161.04613	0.4
161.82516	0.3
163.11319	5.9
165.12865	2.3
171.10297	1.3
181.12379	1.4
191.10759	1.5
209.11859	100.0
210.12195	0.7
227.12920	8.2
253.09259	4.1
376.92184	0.4
416.39813	0.4
445.21033	0.4
486.79541	0.3
612.34717	0.4
613.34869	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	673.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.5
57.03465	2.1
57.40287	2.0
59.01386	100.0
61.98839	9.7
63.51840	2.5
69.03473	2.9
71.01381	52.3
73.02945	25.6
83.01401	5.3
85.02953	23.7
87.00874	2.5
89.02435	40.0
95.01380	2.9
96.96026	8.7
99.00877	15.3
101.02446	44.7
113.02439	20.2
119.03567	3.1
125.02408	4.4
128.83810	2.3
131.03500	3.3
141.01724	23.4
149.04582	4.7
152.03523	4.4
161.04538	10.4
172.83359	2.3
191.05663	5.6
209.11859	27.5
227.12851	3.3
233.06561	2.8
237.22424	2.2
246.07806	2.2
255.11534	4.5
317.21353	3.8
318.21356	2.5
385.79282	2.3
451.41760	2.7
498.86829	2.3
613.34448	52.0
627.34143	11.4
637.38574	70.4
673.35052	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78490	1.8
59.01387	29.8
61.98848	3.7
66.23923	2.2
71.01381	34.7
72.99308	2.4
73.02956	5.6
74.99090	2.3
83.50953	2.1
84.95147	2.3
85.02972	11.0
87.00883	18.6
88.98825	2.5
89.02453	22.4
95.05030	2.4
99.00889	10.0
101.02454	21.7
113.02477	11.8
116.92853	2.7
119.05016	3.3
125.02418	3.3
133.02983	3.3
134.03691	2.2
135.04526	4.0
137.02444	4.9
145.03058	3.0
152.04810	9.7
155.10806	8.5
160.01698	3.6
161.04562	2.8
167.07185	8.3
173.04567	2.7
191.05667	9.3
204.83908	2.6
267.72568	2.6
361.20343	8.7
511.21747	4.8
543.81360	2.7
637.28864	33.3
673.26465	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	673.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
60.13058	0.2
71.01391	0.4
78.95907	7.6
79.95740	2.5
89.02445	0.5
96.00984	0.3
96.96014	100.0
96.96917	10.1
98.24067	0.3
130.60599	0.2
132.91243	0.3
183.13979	0.3
185.43509	0.3
209.11827	1.0
211.13309	0.3
349.45984	0.3
483.68805	0.3
496.19910	0.3
613.31683	0.4
651.96564	0.3
673.34442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66092	0.2
59.01396	0.3
78.95914	8.2
79.36285	0.2
79.95739	2.6
84.30176	0.2
96.00875	0.2
96.96018	100.0
96.96922	10.0
119.86189	0.2
147.13419	0.2
211.13457	0.3
233.16428	0.2
334.21149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70322	4.7
59.01387	63.4
61.98836	100.0
61.99955	3.8
71.01388	59.4
72.99319	5.0
73.02949	25.2
79.64356	4.4
83.01393	6.7
85.02956	41.4
87.00883	5.4
89.02431	52.1
89.86854	3.7
90.61719	3.8
96.95996	9.2
97.02940	4.1
99.00871	20.4
101.02443	44.3
105.78607	3.8
106.06628	5.6
113.02456	28.2
115.03984	4.6
123.08164	6.0
125.02375	5.3
133.02960	8.8
135.04497	10.1
149.04561	7.1
150.06857	8.4
159.09193	5.5
161.02414	50.6
161.04584	5.3
162.02759	10.5
175.03964	6.8
179.03459	6.1
187.06387	5.7
191.05640	28.8
215.06276	4.4
226.07391	4.5
255.11407	6.8
273.12537	18.3
293.08783	26.6
352.29477	4.6
392.57886	4.9
452.17990	9.0
511.28845	4.6
612.36932	25.4
613.37140	19.7
627.34033	23.5
629.22498	44.0
635.36212	10.2
637.28711	18.4
673.25470	74.0
673.42291	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	673.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15395	1.4
54.00158	1.5
57.03449	1.6
59.01394	25.2
61.98832	3.6
71.01374	27.2
72.99303	1.8
73.02926	6.3
74.99154	1.5
78.91886	12.0
83.01371	2.2
85.02927	7.0
87.00859	1.9
89.02457	22.6
97.02947	2.3
99.00908	3.0
101.02432	10.1
111.23132	1.6
113.02419	7.0
115.03961	2.0
119.03452	2.6
119.04996	1.9
123.08122	1.7
125.02376	7.7
133.02928	3.4
135.04460	3.8
137.02437	2.4
145.02911	4.0
161.02472	18.3
175.03920	2.2
189.05516	2.1
191.05569	7.6
217.58797	1.7
228.85962	1.7
233.06613	3.5
286.10919	1.9
293.08850	17.9
312.98236	1.6
318.73816	1.7
357.76624	2.0
361.20154	1.9
603.23511	2.0
613.29095	2.2
637.29095	23.7
672.38477	2.5
673.26086	100.0
674.26642	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	672.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69019	0.1
57.12448	0.1
57.98842	0.1
59.01391	1.7
60.01711	0.2
61.98835	100.0
66.92640	0.1
71.01380	1.4
72.01736	0.1
73.02946	0.8
74.03285	0.1
83.01411	0.1
85.02965	0.6
89.02448	0.2
99.00883	0.2
101.02453	1.5
102.02789	0.2
112.77334	0.1
113.02453	0.2
114.02749	0.1
156.27969	0.1
180.81157	0.1
209.11916	0.2
287.03970	0.1
322.33539	0.1
380.77527	0.1
394.66107	0.2
490.63678	0.1
572.91382	0.1
611.33600	1.4
612.33771	3.7
704.75372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.3
61.98841	100.0
65.11830	0.1
71.01385	1.6
72.01714	0.2
73.02946	0.6
75.77435	0.1
83.01408	0.2
85.02962	0.7
87.00839	0.1
87.27746	0.1
89.02460	0.7
99.00922	0.2
101.02428	1.2
102.02777	0.1
110.92501	0.1
113.02459	0.8
141.44818	0.1
161.04526	0.2
181.42175	0.1
191.05603	0.1
213.52573	0.1
287.58331	0.1
353.43918	0.1
393.24445	0.2
610.33093	0.2
611.33612	1.6
612.33752	2.9
645.53546	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21465	7.1
53.91578	7.1
61.90023	8.5
61.98822	10.2
64.33292	8.6
74.19815	9.4
82.95413	100.0
96.95998	9.3
107.69682	9.3
167.03526	9.1
276.12921	12.5
327.92300	10.9
407.67944	10.3
564.81012	10.4
613.28174	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	671.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45037	1.7
59.01390	2.4
59.67251	1.9
65.15381	2.3
75.32893	2.1
80.33289	2.3
92.65573	2.5
119.05029	100.0
130.98920	2.2
135.73477	2.5
151.04041	3.9
160.47472	3.2
163.04047	3.1
181.05066	14.2
267.09534	2.5
453.34100	9.0
508.12369	2.7
635.39276	27.9
671.37012	3.8
703.29077	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	672.143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.8
61.98838	0.6
65.00336	0.6
80.33363	0.5
83.88622	0.5
107.01432	2.8
108.02215	0.8
109.02955	1.1
121.02966	2.6
137.02394	0.8
148.01617	1.1
149.02461	0.6
151.00397	12.1
158.90375	0.5
163.00401	2.9
176.50992	0.6
178.99869	6.2
187.03949	0.7
191.05630	0.8
226.02704	0.7
227.03596	3.2
243.03053	10.3
245.04497	0.8
251.47311	0.7
254.02258	2.9
255.03044	28.2
271.02527	57.1
272.03104	1.2
273.03989	1.2
299.01935	1.2
300.02798	100.0
301.03561	32.6
311.89767	0.7
417.67990	0.7
609.14746	76.0
610.15125	1.1
687.18365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95210	0.1
59.01392	4.6
59.18510	0.1
60.01715	0.6
61.01809	0.2
61.98840	100.0
70.55117	0.1
71.01390	2.5
72.01715	0.4
73.02956	1.0
83.01423	0.2
85.02959	0.8
89.02449	3.6
90.02779	0.6
91.02892	0.6
91.40591	0.1
94.36755	0.1
99.00881	1.1
100.01186	0.2
101.02463	1.5
102.02776	0.2
113.02457	0.6
119.03432	0.2
128.28148	0.2
131.03462	0.2
149.04532	0.6
178.09250	0.2
191.05638	0.1
296.19315	0.2
340.37943	0.2
369.60794	0.2
434.63657	0.2
456.04941	0.2
610.33234	0.7
611.33612	2.1
612.33868	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	671.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11153	0.4
52.43267	0.4
55.01900	5.7
57.03463	3.1
58.00605	0.6
59.01389	27.0
66.82522	0.5
67.83096	0.6
69.03482	0.7
71.01389	32.5
71.01778	1.1
72.99316	0.7
73.02953	14.0
78.62895	0.5
82.68523	0.5
83.01393	6.7
84.51133	0.5
85.02961	15.2
87.00857	1.8
89.02453	11.5
91.99576	0.6
95.01387	2.6
97.02966	2.9
99.00889	5.5
100.77645	0.5
101.02447	34.8
103.16045	0.5
113.02455	12.4
114.39860	0.5
115.04029	0.9
116.48068	0.4
119.03503	2.2
125.02434	2.5
131.03539	2.1
141.30190	0.5
143.03523	2.0
149.04568	0.8
149.39578	0.5
159.02998	1.9
161.04555	5.9
209.11832	0.7
225.11441	1.0
233.06749	0.9
479.30103	9.8
521.67920	0.6
534.92029	0.6
611.34460	100.0
612.34753	2.5
620.89410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82589	0.9
55.01889	2.0
55.28072	1.3
57.03458	2.0
59.01388	24.2
61.98841	1.4
67.64565	1.3
71.01387	40.8
73.02949	15.0
75.00906	1.2
79.05793	1.1
83.01414	8.0
85.02975	19.3
87.00881	1.9
89.02459	10.7
93.03474	6.3
95.01398	1.7
98.16146	1.2
99.00883	7.7
101.02451	34.7
104.03453	1.1
113.02461	14.6
125.02459	2.2
131.03473	1.7
132.95271	1.2
135.04550	1.7
137.02443	6.8
150.71027	1.2
159.03015	1.4
161.04550	6.5
164.11021	1.3
179.43671	1.3
233.06735	1.8
479.30350	7.7
611.34497	100.0
612.35364	2.8
696.56470	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	671.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82890	1.4
55.01892	7.0
55.24247	1.3
58.00618	1.4
58.85832	1.3
59.01385	26.3
61.98843	8.6
65.03960	1.7
71.01378	38.7
72.99323	2.7
73.02944	18.7
75.00877	2.3
81.03450	2.5
83.01417	8.8
83.05042	1.7
83.93898	1.3
85.02957	32.6
87.00871	42.0
87.01357	1.8
88.98817	2.8
89.02473	10.6
93.03475	2.7
95.01427	3.6
96.96043	2.2
97.02980	2.2
99.00893	10.2
99.04575	2.5
101.02429	19.2
109.02958	5.9
111.00929	2.5
112.01728	1.8
113.02464	12.8
118.98147	1.6
119.05047	2.3
121.02977	2.7
127.04012	8.8
127.17101	1.4
129.01999	2.6
135.04538	9.0
137.02463	2.6
145.02966	2.6
149.04590	2.3
151.04044	13.7
159.03029	6.2
161.02495	3.6
161.04596	2.2
163.03995	1.8
165.05576	2.8
173.04599	3.3
179.03529	2.1
191.05702	7.3
192.06010	1.8
219.34946	1.5
334.71375	2.1
340.75500	1.9
349.24051	9.0
509.31296	13.7
511.32697	3.2
581.33789	2.6
610.82227	1.8
671.36749	100.0
672.37061	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	671.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92599	0.5
55.01886	1.4
57.03455	0.7
59.01385	50.4
61.98862	0.7
71.01380	35.8
72.99300	1.4
73.02947	12.1
74.86363	0.6
81.79706	0.7
83.01404	1.1
85.02944	8.9
89.02442	52.8
95.01385	1.1
97.02943	0.9
99.00874	16.7
101.02436	23.4
113.02457	10.6
114.18095	0.7
119.03511	7.5
125.02447	2.8
131.03499	5.8
143.03450	0.9
149.04584	10.2
161.04512	1.6
179.05594	0.8
191.05597	6.9
209.11772	1.3
253.66447	0.7
307.80768	0.7
324.73004	0.7
333.85120	0.6
448.22391	1.0
471.72382	0.7
479.29755	1.2
490.77646	0.7
589.33636	0.7
611.34479	100.0
612.34747	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	671.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20863	0.2
52.06980	0.3
55.01887	5.0
55.93692	0.2
57.03458	2.9
58.00629	0.4
59.01389	21.0
69.03465	1.4
71.01384	32.0
72.99317	1.4
73.02946	18.1
75.00878	0.6
81.03454	0.3
83.01388	7.1
85.02953	19.6
85.03460	0.6
86.00117	0.7
87.00871	2.5
88.36805	0.3
89.02443	7.3
95.01383	2.6
97.02968	2.0
99.00880	7.7
99.04564	0.5
101.02448	32.0
110.59496	0.3
111.00939	0.6
113.02460	14.4
121.02942	0.6
121.28526	0.3
125.02451	2.5
129.01929	0.8
131.03516	1.5
139.43825	0.3
143.03520	1.3
159.03011	2.4
161.04581	6.7
165.83987	0.3
167.76674	0.3
192.66467	0.3
195.02632	0.3
233.06673	1.3
246.03958	0.3
265.97644	0.3
293.08643	0.3
359.26239	0.5
393.33688	0.4
479.30148	5.9
611.34515	100.0
612.34625	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	671.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.66926	0.3
57.03456	1.3
58.00592	1.4
59.01386	50.9
61.98837	6.5
69.03452	1.4
71.01384	39.7
72.99332	2.4
73.02948	12.1
75.00863	0.7
83.01393	2.6
85.02946	8.1
87.00890	2.1
89.02445	53.0
95.01392	1.9
97.02938	1.4
99.00877	17.5
101.02446	23.3
113.02462	10.5
115.04000	1.2
117.93041	0.3
119.03493	8.0
125.02441	3.5
126.23615	0.3
131.03522	6.3
143.03476	0.7
144.83878	0.4
149.03485	0.5
149.04572	10.4
161.02455	0.7
161.04550	1.6
168.95366	0.3
172.92677	0.4
179.05569	0.5
191.05682	5.5
221.36116	0.3
233.06584	1.6
251.07809	0.6
293.08911	0.6
479.24313	0.4
479.30515	1.4
575.19751	0.3
611.34521	100.0
612.34790	3.1
625.32397	0.7
632.35999	0.4
635.36206	0.6
671.40381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83179	1.3
55.01900	1.2
57.03481	1.2
59.01392	18.5
64.19156	1.2
68.80419	1.4
71.01379	13.8
73.02966	2.4
80.02692	5.8
80.57174	1.2
81.03490	2.1
83.05045	7.7
84.02203	1.7
84.28144	1.4
85.02940	3.0
89.02451	7.2
93.03444	15.2
96.96045	6.3
97.02927	2.9
97.61613	1.5
101.02448	9.7
106.04263	1.8
109.06591	23.3
113.02478	7.9
125.09734	1.7
134.46959	1.4
135.04515	1.9
135.08138	7.2
137.02444	16.2
142.02718	1.6
148.88304	1.3
163.11310	21.1
165.12923	2.9
181.12389	8.8
199.91454	1.4
207.10294	71.0
209.09837	3.2
209.11865	100.0
221.11963	1.9
225.11343	35.7
227.12877	11.1
247.13477	1.8
253.09279	6.1
343.27960	1.6
385.05212	1.6
399.22131	3.0
461.20523	13.6
611.34302	11.7
635.30634	10.2
653.31677	9.6
671.32880	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	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09507	0.6
55.01882	2.9
57.03456	3.2
59.01385	32.7
61.98838	1.3
69.03471	1.1
71.01380	48.4
72.99303	1.4
73.02946	15.7
75.00863	0.8
75.15631	0.6
81.03468	0.8
83.01387	6.2
85.02943	15.8
85.03393	0.9
87.00893	2.9
89.02440	25.0
95.01402	2.9
95.05033	0.8
96.29542	0.7
97.02941	3.7
97.06587	3.7
99.00881	13.2
99.04485	0.8
101.02441	23.4
103.04023	3.6
111.00867	0.9
113.02451	13.1
115.04029	3.2
119.03529	1.6
123.08166	1.7
125.02434	8.0
131.03511	4.3
141.09209	1.3
142.11624	0.7
142.60550	0.8
143.03497	1.7
145.02957	1.5
149.04572	3.5
150.06856	1.5
151.31940	1.0
157.05040	3.0
159.03015	0.9
161.02437	1.3
161.04567	5.4
162.53239	0.8
162.83493	0.7
191.05650	3.7
233.06685	6.8
269.19199	8.1
287.20142	4.3
293.08948	1.7
313.21869	1.2
329.21268	1.0
331.22821	36.4
331.26816	1.2
379.12396	5.8
383.51199	0.8
412.08167	0.9
430.26819	0.8
493.28235	2.8
495.00046	0.8
509.35236	1.4
610.80457	0.9
611.37103	11.2
625.32422	100.0
626.32800	2.7
635.36108	1.2
671.30927	1.2
671.41925	2.0
687.61804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84191	10.0
55.57932	12.0
61.12859	13.3
63.13917	12.6
73.00008	10.1
73.88431	10.3
98.54359	12.3
116.24503	13.9
168.28143	12.7
191.41281	13.8
243.06349	12.1
671.27441	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	671.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10751	1.2
51.60332	1.4
55.01901	3.9
57.03479	3.9
58.95038	1.4
59.01396	69.8
59.01697	2.7
61.98850	14.9
64.34268	1.6
65.52654	1.3
65.88042	1.4
69.03477	1.7
71.01395	62.1
73.02964	25.3
75.00873	1.7
75.35053	1.4
77.81236	1.6
83.01418	9.0
84.21451	1.7
85.02965	25.7
86.00132	1.9
87.00890	3.9
88.98812	2.0
89.02448	44.1
93.03460	2.2
95.01398	2.9
97.02939	2.4
97.99665	1.4
99.00893	17.5
101.02457	41.7
111.00930	3.0
113.02473	23.9
115.04099	2.1
116.92903	2.2
119.03494	3.9
121.03029	1.8
123.08166	2.3
125.02432	6.8
130.46106	1.6
131.03519	7.4
133.02950	7.7
135.04549	3.0
137.02454	2.0
143.03583	3.4
147.27869	1.5
149.04578	3.0
150.06857	2.8
161.02486	17.4
161.04642	2.7
179.03391	2.5
191.05623	7.5
317.26782	2.5
479.32254	10.9
611.36865	100.0
625.32495	36.8
633.34863	2.1
635.35620	3.5
671.31250	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	670.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60067	0.2
53.88801	0.2
56.94934	0.2
59.01397	1.6
59.63585	0.2
61.98842	100.0
71.01390	2.2
73.02967	0.3
81.13567	0.2
85.02990	0.4
87.76540	0.3
89.02481	0.5
92.10814	1.4
99.00913	0.3
101.02448	1.9
113.02477	0.3
119.03484	0.3
157.43262	0.2
225.04646	0.3
243.65749	0.3
267.03308	0.3
517.62317	0.4
609.31775	1.1
610.32141	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	670.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.8
61.86092	0.5
61.98840	100.0
71.01398	5.1
73.02933	0.7
85.02961	2.3
89.02437	1.5
92.10123	1.9
99.24226	0.7
101.02464	2.9
113.02506	1.5
125.02399	0.9
129.29553	0.6
141.40472	0.6
191.05568	1.2
226.48724	0.7
261.74115	0.6
453.41714	0.7
549.38684	0.6
610.32751	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	670.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03538	0.4
55.01901	2.0
57.03478	0.5
59.01387	11.5
61.98840	100.0
62.24712	0.4
65.29111	0.4
65.34822	0.4
71.01391	16.3
73.02953	9.0
73.47457	0.6
83.01408	2.6
84.01747	0.7
85.02969	8.3
86.03307	0.6
87.00890	0.9
88.31390	0.5
89.02449	7.4
95.01439	0.7
97.02947	1.0
99.00879	5.2
101.02457	12.2
102.02733	0.7
113.02436	5.4
125.02418	1.7
135.04451	0.7
149.04578	1.1
161.04553	2.2
191.05614	1.0
281.17273	0.5
429.21252	0.6
478.28915	1.9
609.32813	8.2
610.33234	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06213	0.9
55.01889	6.3
57.03461	6.0
58.00596	1.9
58.44860	1.1
59.01387	51.8
61.14661	1.0
61.98846	4.7
69.03456	1.6
69.87298	1.1
71.01378	52.9
72.99311	2.2
73.02943	17.8
79.92678	1.1
83.01383	8.2
85.02942	23.4
87.00864	4.8
89.02440	27.0
95.01379	4.7
95.05064	1.3
99.00883	5.7
99.94489	1.4
101.02445	44.4
111.00889	5.3
113.02451	21.0
115.37207	1.2
119.03489	7.0
120.72001	1.0
123.08202	1.7
125.02448	2.3
133.02946	24.5
135.04520	13.7
139.37617	1.2
143.03484	1.6
151.04002	1.2
159.02965	1.5
161.02458	73.6
161.04590	5.2
162.02846	1.2
179.03534	9.6
179.05630	1.3
191.05565	2.3
194.77864	1.1
324.88028	1.2
345.20987	1.6
345.30252	6.8
398.91718	1.1
507.35422	35.2
609.35028	5.4
626.32611	2.1
669.29388	31.8
669.40649	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	669.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.0
57.03468	5.5
58.00610	1.6
59.01385	55.0
60.82537	1.0
61.98844	6.8
68.75681	1.0
69.03471	1.2
71.01382	52.7
72.99317	2.2
73.02943	17.6
75.00890	1.2
83.01395	9.5
85.02954	24.7
87.00891	3.9
89.02444	24.3
95.01379	2.2
96.14274	0.9
96.96014	1.7
97.02959	1.5
99.00867	8.3
101.02441	49.7
101.03091	1.9
105.80899	0.9
111.00945	1.9
113.02452	23.6
113.03157	1.5
119.03521	4.5
125.02451	1.7
131.03522	1.1
135.04590	1.1
142.13718	0.9
143.03513	1.0
149.04616	1.4
153.96167	1.2
159.02969	1.3
161.02466	4.0
161.04573	6.3
166.11569	0.9
175.04065	1.2
179.03497	1.1
191.05713	1.8
293.81693	1.0
299.26062	1.2
335.81668	1.1
345.30319	5.2
507.35413	25.7
609.35016	7.2
623.30768	8.0
669.40863	100.0
670.41443	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	669.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	7.8
56.25941	1.4
57.03447	2.4
59.01383	66.9
61.98848	2.6
69.03451	1.6
70.60490	1.3
71.01379	65.0
72.99313	3.5
73.02955	17.4
73.36561	1.5
75.00881	7.7
80.08522	1.5
83.01408	10.0
85.02945	27.8
87.00871	2.3
89.02445	28.3
92.10119	8.3
93.03468	2.0
95.01404	3.8
97.02946	1.8
97.46510	1.4
99.00897	8.7
101.02444	56.6
113.02452	25.8
114.52539	1.7
117.75735	1.7
119.03509	14.0
125.02458	2.3
161.04570	10.5
179.05603	7.1
181.05171	1.6
214.14743	1.6
221.06653	2.4
224.42351	1.8
225.18652	2.0
238.29099	1.7
345.30167	7.9
507.35556	33.0
535.42108	1.8
609.33020	17.4
669.40875	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	669.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21367	1.1
52.65335	0.8
55.01898	6.2
57.03473	6.0
58.00608	1.4
59.01387	69.1
60.48405	0.9
61.98837	8.4
71.01383	62.5
71.01763	2.2
72.99342	1.0
73.02948	26.0
73.03281	1.2
75.00891	2.2
83.01396	12.0
85.02956	32.8
87.00883	2.6
89.02444	29.6
89.02930	1.7
89.20493	1.0
95.01427	7.1
97.02957	2.0
99.00864	8.2
101.02446	56.8
101.03075	2.4
111.00926	4.5
113.02457	29.1
116.92927	1.9
119.03507	9.0
125.02493	4.4
131.03596	1.8
132.04614	1.1
133.02962	2.3
135.04608	1.5
137.02480	3.9
143.03516	1.9
149.04724	1.2
150.05640	1.5
159.03024	2.0
161.02513	5.3
161.04604	8.1
179.03534	1.4
185.15639	1.1
191.05704	4.4
196.77589	1.4
299.26044	1.5
301.89151	1.1
315.25259	1.4
345.30411	7.2
386.62842	1.2
477.31113	2.2
487.34467	1.1
507.35559	29.8
609.35339	27.3
623.31061	1.1
631.29285	1.2
633.35040	11.6
669.41040	100.0
670.41205	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	669.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53946	0.2
55.01891	4.4
57.03459	3.0
57.68813	0.2
58.00602	0.6
59.01386	22.8
61.98835	3.8
63.05539	0.2
64.70850	0.2
69.03469	1.0
71.01382	33.1
72.99319	1.2
73.02945	16.3
73.03353	0.4
75.00878	0.4
75.24911	0.2
76.41138	0.2
81.03455	0.4
83.01391	6.2
85.02956	19.8
86.00108	0.4
87.00871	1.9
89.02443	11.5
93.85291	0.2
95.01385	2.6
97.02934	2.5
99.00872	8.4
99.04471	0.2
99.73780	0.2
101.02443	32.7
111.00896	1.2
111.01799	0.2
113.02456	13.5
115.04031	1.7
116.92867	0.6
119.03500	1.3
125.02445	2.2
126.55874	0.2
129.02019	0.3
131.03520	1.8
143.03502	1.5
149.04550	1.1
159.03004	2.6
161.04562	7.8
191.05623	0.3
209.42651	0.3
228.00763	0.2
233.06645	1.1
293.08743	0.3
313.21875	0.3
315.23264	2.6
357.24347	0.4
408.44589	0.2
477.28690	7.6
609.32922	100.0
610.33435	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	669.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08223	2.0
55.58054	2.2
56.22577	1.9
56.65238	2.0
59.10359	2.1
61.79358	2.4
68.98058	2.2
85.90690	2.2
117.03474	26.5
119.05037	5.6
120.12595	2.2
121.02935	15.2
123.04483	2.7
133.03040	3.4
136.33533	2.2
145.02968	100.0
147.04497	8.8
163.03928	2.8
188.86230	2.8
408.50577	2.7
484.08456	2.8
571.37970	72.8
589.39172	60.7
633.37915	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	669.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45955	1.1
117.03444	6.3
118.38752	1.6
119.05032	82.1
121.02947	2.8
128.96777	1.9
145.03040	11.5
147.04546	1.7
157.76173	1.7
163.04024	82.0
192.77994	1.7
313.95734	1.4
469.33466	15.3
633.38135	100.0
634.38354	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	669.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77100	0.9
52.67900	0.9
56.86371	0.9
56.98465	0.9
66.20612	1.0
71.98052	1.1
90.58860	0.9
92.82984	1.1
94.60587	1.1
97.08110	1.0
108.30469	1.0
117.03508	2.3
119.05036	96.2
120.05392	1.6
121.02985	2.7
125.85247	1.2
145.02988	5.7
147.04565	1.4
163.04030	100.0
222.03459	1.1
232.38902	1.1
280.27170	1.1
469.33380	12.1
510.24973	1.2
631.36896	7.6
633.38092	81.7
645.84332	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	669.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.1
57.03461	3.9
58.00597	1.0
59.01387	100.0
61.98854	0.9
64.18177	0.9
69.03447	1.5
71.01382	53.8
72.99326	3.9
73.02946	14.2
80.87083	0.9
83.01392	12.1
83.27251	1.0
85.02956	16.9
87.00901	1.6
89.02444	40.7
90.82299	1.0
92.10098	2.3
93.03469	4.7
95.01376	10.9
96.96014	2.2
97.02969	5.6
99.00903	4.3
99.32394	1.0
101.02444	46.9
103.00379	1.0
109.02947	1.8
113.02465	26.9
119.03514	16.5
119.04999	2.0
121.02971	1.7
125.02401	1.3
135.04488	3.7
137.02438	1.9
137.06143	1.6
138.02023	1.3
139.04059	4.2
143.03520	1.3
149.04562	1.1
161.02463	2.1
161.04556	9.7
161.06026	3.9
163.04015	1.1
164.04848	1.7
165.05435	1.1
173.04510	1.3
175.07721	1.5
177.02016	1.2
179.05684	1.6
191.05667	9.4
238.52545	1.0
265.18039	3.6
351.19705	1.6
361.23911	1.8
369.20715	7.2
395.90482	1.0
400.03503	1.1
523.25317	1.5
531.26080	44.3
547.28625	1.5
549.26941	6.3
565.26440	10.3
567.28247	33.9
573.26971	4.7
591.28192	8.9
609.29248	96.7
610.29352	1.8
634.02802	1.2
669.37091	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	669.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.5
55.95176	2.9
57.03453	5.4
58.00615	4.2
59.01382	93.1
61.98840	4.8
65.08434	3.2
68.50297	3.5
69.03423	2.9
71.01377	100.0
73.02957	28.2
83.01395	6.8
85.02960	37.5
87.00851	3.0
89.02440	75.7
92.10767	11.2
95.93671	3.0
99.00901	21.0
100.17378	3.3
101.00240	3.0
101.02448	57.2
108.02193	18.1
109.02969	15.6
111.00900	3.9
112.95984	3.4
113.02444	35.2
116.92872	7.0
119.03473	15.4
119.05007	3.9
131.03490	4.8
132.95497	3.6
135.04501	5.6
137.02362	3.7
152.01143	19.3
153.02014	6.9
155.10823	3.7
161.04498	5.4
163.03999	4.5
163.28355	3.2
171.24649	3.0
179.03323	4.2
182.21884	3.7
191.05666	6.1
199.09688	4.4
277.25192	3.5
280.14215	3.2
315.07193	4.0
507.35336	15.8
609.27667	12.9
609.36053	7.1
623.30060	13.4
633.35046	85.1
639.17096	5.2
651.17487	5.0
669.19550	6.6
669.30524	84.8
669.40948	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	7.9
57.03460	8.1
59.01391	87.4
61.98837	44.2
71.01387	83.7
72.99322	4.4
73.02952	29.1
83.01407	16.4
83.05051	3.2
85.02968	46.5
87.00900	5.4
89.02462	30.3
97.02949	4.4
99.00896	7.8
99.99452	3.2
101.02448	63.6
108.02209	3.6
111.00856	5.3
113.02459	31.8
116.92872	17.2
119.03530	4.4
123.04520	18.6
134.53897	3.3
159.02844	3.9
161.04549	3.6
183.06494	3.5
211.07343	3.4
224.47153	3.3
257.73584	3.2
292.03784	3.3
326.43973	3.6
450.04327	3.8
505.34082	40.1
529.28143	4.7
547.29175	13.5
607.30737	37.4
667.28864	6.1
667.39233	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	669.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.5
57.03463	1.0
59.01388	23.9
71.01385	23.9
72.99327	1.1
73.02956	5.8
77.88339	0.4
79.51910	0.4
83.01395	4.1
85.02957	9.7
85.27942	0.4
87.00897	2.6
89.02456	9.5
95.01418	1.1
97.02930	0.8
97.06558	0.6
99.00880	3.4
101.02454	18.7
107.05013	0.5
111.00892	0.9
113.02485	7.5
117.03487	0.7
119.03474	3.8
123.08148	1.2
125.02445	0.7
132.02222	0.8
133.02965	29.7
134.03754	1.0
135.04544	10.9
139.04083	0.5
145.02940	0.6
157.48701	0.5
161.02466	100.0
161.04605	3.3
162.02850	0.7
169.24136	0.5
174.89656	0.7
179.03535	6.8
180.33018	0.5
286.20206	0.5
287.20285	0.9
344.19635	0.5
345.20761	2.2
345.30185	1.0
507.35556	11.3
573.79596	0.6
609.35779	1.0
633.35413	0.8
634.28284	0.6
669.29382	41.5
669.40808	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	669.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50094	0.5
55.01901	2.9
55.43537	0.6
57.03469	1.6
57.08854	0.7
58.00601	1.4
59.01387	75.0
61.98846	0.7
69.03473	0.6
71.01385	60.5
72.99321	2.8
73.02948	21.0
78.54371	0.7
83.01418	4.5
85.02954	14.6
87.00893	6.0
89.02443	80.5
95.01431	1.5
97.02967	2.8
99.00871	30.4
101.02440	39.7
113.02452	17.9
114.77353	0.7
119.03500	11.9
119.05016	0.9
125.02457	7.6
131.03491	14.5
143.03510	1.6
149.04575	18.1
161.04567	10.5
163.04097	0.9
179.05627	11.3
191.05663	7.9
199.64313	0.8
221.06705	6.0
234.06458	0.8
262.21606	0.7
269.25171	0.7
275.07837	1.5
293.08771	1.6
447.22470	15.3
477.23538	4.8
609.27765	100.0
610.28339	2.8
623.31000	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	667.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60589	0.9
55.01901	4.5
57.03464	2.2
59.01394	26.8
60.98144	1.0
61.98843	8.3
64.57514	1.2
71.01386	29.8
73.02950	10.9
80.86833	1.2
83.01410	4.9
84.26431	1.0
85.02958	16.6
87.00874	1.7
87.04548	1.8
88.98818	2.7
89.02454	13.5
89.09556	1.3
89.94207	1.1
90.89790	1.3
95.01404	1.3
95.40878	1.1
96.96004	4.8
97.02939	1.3
99.00859	2.7
99.92535	1.2
101.02431	22.6
109.02999	1.7
111.00920	1.8
113.02493	11.0
116.92867	20.9
117.03439	2.2
119.03516	5.2
119.05029	1.3
123.04485	1.7
125.02444	2.2
132.02126	1.7
133.02962	37.3
134.03755	2.2
135.04530	59.5
137.02477	1.7
137.09714	2.8
145.02864	2.0
149.06070	8.0
155.10785	13.0
160.01741	1.2
161.02460	100.0
161.04597	6.5
163.04030	1.9
169.12329	1.7
175.04048	2.0
177.05569	12.4
179.03496	37.0
191.05519	1.8
199.09741	6.3
203.03496	7.4
221.04622	8.8
238.07828	1.2
241.10806	4.7
283.12064	1.9
424.39969	1.4
498.37140	1.3
505.33835	12.4
565.29938	1.5
599.96783	1.4
607.21564	1.3
607.30225	8.4
624.31500	1.3
667.22577	36.3
667.39618	37.8
686.79840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43571	0.5
55.01892	4.8
57.03452	3.8
58.00614	0.6
59.01386	29.8
63.34076	0.5
69.03467	1.1
69.56884	0.5
71.01381	39.1
71.62443	0.5
72.99310	1.2
73.02944	17.5
75.00885	0.8
75.97042	0.5
81.03438	0.8
83.01378	6.9
83.01728	0.5
83.05064	0.5
85.02950	17.6
87.00883	1.4
87.21217	0.5
89.02432	12.6
92.10045	1.2
94.91232	0.5
95.01385	3.7
97.02968	2.9
99.00877	9.1
101.02438	35.6
101.03095	1.2
111.00932	1.0
113.02456	18.1
113.40412	0.6
115.04012	2.2
125.02449	2.4
127.03997	1.0
131.03491	0.9
134.76685	0.7
143.03491	1.2
159.03014	3.7
161.04544	7.3
188.20915	0.6
191.79736	0.6
233.06718	1.0
247.19258	0.7
288.27042	0.5
291.26459	0.6
313.21860	4.6
348.06094	0.7
354.46866	0.6
396.19363	0.6
401.27881	0.6
427.87701	0.6
475.27176	7.8
494.22760	0.6
505.33908	1.4
607.31360	100.0
608.31506	3.0
667.39294	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	667.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.4
56.80458	0.6
57.03466	2.9
58.00597	1.0
59.01385	33.3
67.22503	0.6
68.98655	0.6
69.03493	1.0
70.06607	0.6
70.75291	0.6
71.01384	35.6
71.01776	1.2
72.99321	0.9
73.02946	17.2
83.01398	8.9
85.02953	17.5
87.00900	1.6
88.33119	0.7
89.02444	17.1
95.01417	1.6
97.02953	2.6
99.00876	9.7
101.02442	36.1
101.03091	1.4
111.00890	0.8
113.02448	13.3
115.04008	1.0
119.03520	3.5
125.02443	2.7
131.03517	1.6
159.02979	1.1
161.04588	7.5
250.53325	0.7
313.21777	5.5
475.27045	11.8
475.74518	0.9
488.61447	0.7
607.31390	100.0
608.31714	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	667.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54517	0.8
55.01883	11.0
57.03458	7.9
58.00597	1.2
58.80841	1.0
59.01389	73.1
60.54935	0.9
61.98851	4.0
68.99880	1.0
69.03455	1.2
71.01386	94.9
72.99316	5.2
73.02950	35.0
75.00878	1.9
81.03473	2.4
83.01392	21.3
83.05030	2.6
85.02956	51.3
85.03462	1.7
86.00108	2.4
87.00896	6.4
89.02455	29.3
95.01374	7.8
97.02990	4.2
97.06596	9.9
99.00894	18.4
101.02449	83.0
111.00891	2.3
113.02457	39.1
115.04018	2.1
116.92854	11.1
119.03501	7.1
123.04514	1.2
125.02462	8.1
127.04041	1.7
129.01926	1.5
131.03517	2.1
143.03532	5.2
158.99364	1.0
159.03012	7.5
161.04568	13.7
179.03482	1.3
179.05594	1.2
200.21553	1.0
227.20280	1.9
233.06729	1.2
249.80243	1.1
313.21771	4.3
389.25421	2.1
428.87787	1.1
466.93216	1.1
475.27118	6.6
487.32809	4.4
505.33942	31.7
529.27911	1.3
547.29498	1.6
551.30884	2.1
607.31372	100.0
608.31873	4.3
625.30688	1.1
649.38135	1.3
667.39294	99.6
668.39362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84861	1.5
55.01884	2.6
57.03459	2.1
59.01390	100.0
61.98847	1.7
63.51191	1.5
64.34344	1.6
68.18455	2.0
71.01392	41.0
71.01711	1.9
72.83299	2.2
72.99370	1.7
73.02978	11.6
83.01428	3.7
85.02972	20.6
87.00888	24.8
89.02458	31.9
93.03461	3.5
95.01422	7.9
99.00890	7.0
101.02450	30.1
104.12314	2.1
104.98670	1.8
111.11906	1.6
113.02459	16.2
119.03519	9.8
121.06600	2.4
135.04543	2.7
137.02534	2.5
137.09731	1.9
149.04590	2.5
151.04059	3.0
153.57144	1.8
155.10815	3.7
161.04590	4.0
171.70627	1.7
179.03645	2.8
191.05670	10.2
199.09904	2.9
213.09268	4.1
305.19150	2.0
333.15210	2.1
349.18188	11.3
351.15958	2.5
367.19177	40.7
385.20016	13.1
457.22321	3.5
462.52261	1.8
529.24518	54.5
547.25616	89.2
602.70245	2.0
607.27191	9.0
667.34283	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	667.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.4
56.37670	2.7
57.03465	13.2
59.01385	53.9
64.63778	2.3
69.03465	3.5
69.33858	2.7
71.01393	32.5
71.79099	2.5
72.99345	3.4
73.02963	13.4
83.01421	6.4
83.05061	2.4
84.02174	4.5
84.77366	2.2
85.02956	74.2
85.03457	4.0
86.64629	2.5
87.09483	2.2
89.02431	31.0
95.04411	2.7
97.02959	68.3
99.00910	6.1
101.02460	13.9
113.02485	13.1
119.03576	3.3
119.08681	2.9
123.04521	4.0
134.89487	3.8
139.04044	12.5
149.04539	6.3
161.06169	3.9
175.07660	3.0
184.54156	3.0
191.05630	13.1
208.56586	2.5
221.13667	2.8
245.15546	5.1
365.19849	3.0
405.22974	15.4
407.24347	9.3
511.27646	4.3
521.31451	10.1
529.28198	12.8
563.32239	14.5
565.30261	65.5
589.30554	14.9
607.31390	100.0
667.25049	3.2
667.36542	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	667.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	4.0
59.01391	25.6
68.90220	0.8
71.01396	24.6
72.99336	3.8
73.02964	1.6
75.00886	15.4
83.01403	1.0
85.02972	26.4
87.00893	10.7
89.02467	11.8
92.69568	0.8
93.03485	1.2
95.01393	3.6
96.96038	5.4
99.00912	10.0
101.02483	4.3
102.32140	0.8
103.00387	4.7
113.02463	37.8
113.06113	16.7
115.00366	1.9
116.42789	0.9
117.01942	1.6
117.96197	1.1
119.03440	1.6
120.99646	8.8
122.06149	5.6
127.03903	1.0
129.01964	1.4
135.04544	1.6
138.05750	0.9
149.04698	1.1
163.06441	4.7
175.02562	1.3
183.10318	4.5
191.05635	7.8
195.05362	5.4
205.07169	1.2
206.04297	1.1
207.05077	1.2
229.01598	1.0
247.59747	1.1
249.06224	6.1
267.07269	53.7
273.12466	4.8
285.12466	15.8
299.40485	1.0
303.13596	7.2
363.12988	100.0
363.16791	10.1
528.51160	1.0
599.08478	0.9
667.26532	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	667.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82378	0.5
55.01878	0.8
55.04669	0.5
57.03463	1.2
59.01386	100.0
61.98838	0.9
69.03488	0.6
71.01385	17.8
72.99309	0.8
73.02936	4.4
81.52937	0.5
83.01402	2.8
83.31378	0.5
85.02944	7.1
86.28404	0.5
87.00866	1.0
89.02444	13.1
92.10055	0.6
93.03460	0.9
95.01385	2.2
96.96011	1.1
97.02958	2.8
99.00880	2.3
101.02442	13.0
103.63525	0.6
113.02454	6.4
116.92854	4.9
119.03496	6.4
119.04997	1.2
123.04529	0.8
131.03537	1.1
133.03004	0.6
134.03838	0.5
135.04512	2.2
139.03949	0.7
143.03525	0.7
149.04538	1.3
149.05952	0.8
155.55722	0.6
161.02428	3.5
161.04543	1.1
163.03973	0.6
173.04602	0.8
179.03528	0.8
179.05597	0.7
191.05669	3.4
202.26918	0.6
257.13013	0.7
271.02530	1.2
287.22427	0.7
299.01971	1.0
300.02835	2.8
301.03445	1.2
303.99310	0.6
367.19244	6.1
405.19138	0.6
479.24921	2.6
493.22580	0.7
503.23090	1.2
511.23633	4.2
529.24396	5.0
547.25580	27.4
548.26263	0.6
571.25659	0.7
589.27045	1.1
607.27411	9.8
609.14233	0.7
645.07849	0.8
667.34735	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	667.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.4
64.03384	0.4
66.39825	0.4
68.03682	0.4
69.17096	0.4
73.02966	1.8
81.62447	0.4
99.00882	1.1
99.92592	7.6
101.02464	0.5
116.92863	100.0
116.97260	0.8
117.01949	2.8
121.02911	0.5
121.60909	0.4
135.04541	0.5
165.26736	0.5
192.69873	0.5
212.77502	0.5
349.40997	0.5
416.79977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.9
61.98861	0.6
64.88187	0.5
65.96127	0.5
70.36413	0.4
72.99326	0.6
88.53683	0.5
98.59248	0.5
109.27383	0.5
123.04516	0.7
134.03735	14.3
135.04051	1.8
136.01660	60.1
142.33678	0.5
149.06071	2.3
150.03242	2.1
151.04016	100.0
165.05501	2.5
178.02657	1.0
193.05096	5.5
194.05353	0.8
211.06158	55.7
255.78236	0.6
325.93774	0.5
405.31717	0.5
435.54108	0.6
453.33820	26.8
588.45404	0.6
665.40625	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51824	0.8
59.01397	5.4
60.99313	20.4
75.00875	20.9
87.00888	2.0
88.00423	5.5
88.98806	100.0
89.02447	21.8
172.67429	1.1
176.04753	1.2
179.09799	1.1
332.61816	1.1
545.27753	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	665.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33822	0.3
58.00323	0.4
59.01385	12.2
78.95406	0.4
82.33635	0.5
86.89782	0.4
108.02164	0.9
113.46006	0.5
115.83253	0.4
119.05014	0.5
134.03735	12.5
136.01666	59.3
149.06099	2.0
150.03246	0.8
151.04021	100.0
165.05597	1.8
193.05078	6.4
211.06155	55.4
278.21820	0.6
342.48776	0.5
407.33209	1.0
452.16592	0.5
453.33820	22.7
485.32947	0.6
513.35760	0.8
665.40704	21.4
665.52124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93341	0.3
55.07701	0.3
59.01382	1.0
60.99314	17.5
75.52409	0.4
87.00867	3.2
88.00411	3.8
88.04026	0.5
88.98808	100.0
89.02447	23.9
89.03008	0.8
92.10187	0.5
98.20753	0.4
145.73817	0.4
316.78784	0.5
548.19336	0.5
548.52313	0.5
558.39801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10264	0.4
52.76686	0.4
55.01895	4.8
57.03466	3.6
58.00613	1.3
59.01391	36.5
61.98838	0.7
64.34402	0.5
67.17761	0.5
68.99583	1.0
69.03482	1.4
71.01386	40.6
72.99310	2.5
73.02950	16.4
74.86102	0.5
75.00885	1.3
76.57611	0.5
81.03471	1.2
83.01393	6.8
85.02961	20.0
87.00885	2.1
89.02447	23.4
95.01408	2.8
97.02953	3.4
99.00876	11.6
99.04539	0.5
101.02444	36.4
113.02448	15.4
115.03999	3.1
116.92862	2.1
119.03558	4.6
125.02430	4.0
127.03997	0.9
131.03490	2.3
137.02357	0.5
149.04538	2.0
150.45378	0.6
159.02995	0.8
161.04559	6.1
176.52718	0.5
191.05724	1.3
201.73978	0.5
202.46190	0.5
233.06807	1.0
267.17569	1.2
311.20273	6.6
473.25595	9.4
605.29810	100.0
606.29987	2.4
665.30634	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	665.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85617	0.4
53.74682	0.4
59.01390	1.0
60.99312	21.3
60.99622	0.9
61.69703	0.4
63.78005	0.5
87.00877	5.0
88.00422	3.1
88.01241	0.9
88.98802	100.0
89.02441	35.6
89.03002	1.0
125.29326	0.6
141.61359	0.5
173.55020	0.6
226.08040	0.5
444.31845	0.6
665.39172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.6
57.03454	3.7
59.01386	47.9
61.98835	1.2
69.03453	1.2
69.41336	0.9
70.16533	0.8
71.01379	45.3
72.99302	1.9
73.02942	17.1
83.01397	8.7
83.05043	3.2
85.02953	27.4
87.00874	5.3
89.02443	25.2
89.02995	1.0
93.03456	1.3
95.01372	3.4
97.02942	1.9
99.00878	11.4
99.04506	0.9
101.02443	38.4
109.02916	1.3
113.02460	15.5
115.04034	1.5
116.92171	0.8
116.92869	8.4
119.03511	5.1
125.02433	3.8
127.04052	3.8
131.03473	1.2
135.08133	1.1
145.05080	1.7
149.04581	1.8
159.03000	1.8
161.04558	5.8
161.99698	1.0
179.05666	0.8
191.05653	1.0
221.06741	1.1
233.06682	1.4
311.20071	3.4
473.25702	8.9
554.29913	1.3
605.29767	100.0
606.30029	3.9
635.31830	1.7
665.28204	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	665.3156
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
51.01124	2.6
54.01714	2.9
59.01386	54.4
61.98848	4.4
68.38390	3.1
71.01387	48.2
73.02959	16.8
83.01413	7.2
85.02942	24.5
89.02449	35.6
92.10783	8.8
93.03476	4.2
93.85394	3.5
99.00891	20.9
101.02447	33.4
103.21433	3.0
109.28463	3.1
113.02464	15.2
116.92872	3.7
118.98118	3.8
121.02923	5.4
149.04616	5.3
149.06213	5.8
191.05672	6.6
213.95171	3.5
233.06638	5.0
371.22260	18.0
372.51575	3.3
386.29581	3.2
505.59259	3.7
514.91669	3.3
533.27625	14.2
665.32001	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	665.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69379	0.9
54.47836	0.8
55.01901	1.6
58.00618	1.0
59.01390	34.4
59.55386	0.8
59.57498	0.9
64.90449	0.8
71.01389	21.6
72.99322	1.4
73.02961	2.1
83.01394	3.3
85.02959	14.8
87.00893	1.9
89.02441	16.0
93.03476	1.1
95.01392	1.5
96.96041	1.3
99.00926	1.0
101.02451	17.1
109.02934	1.3
113.02470	8.7
119.03529	5.3
131.44295	1.0
133.02995	1.7
133.51031	0.8
135.04515	10.1
140.42757	0.9
148.13136	0.9
149.06120	2.0
159.87122	0.9
161.02444	1.7
161.04605	1.0
161.05946	0.9
164.48712	1.0
177.05595	6.6
179.03494	6.9
189.05618	5.4
189.13086	1.0
191.05630	45.4
207.06488	1.1
221.04547	4.3
294.85947	1.0
325.04172	1.1
347.55420	1.2
353.08887	9.7
443.19336	100.0
578.29480	1.1
605.17206	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	663.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82753	1.3
70.85194	1.5
74.18607	1.6
74.19083	2.0
76.36254	1.6
79.97232	1.6
80.96542	2.1
92.21920	1.6
117.03465	7.8
134.03748	100.0
149.06140	8.3
160.01630	3.6
168.23274	1.7
169.35141	1.7
174.10316	1.8
175.04012	2.2
178.02838	2.6
193.05080	59.3
194.05389	2.0
211.06216	2.9
248.26709	2.0
302.03204	1.7
469.33420	15.0
663.39075	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71683	0.7
54.82642	0.8
55.44875	0.7
57.03437	1.0
59.01391	7.7
59.03120	0.8
61.98837	1.7
62.99301	0.9
71.01400	4.6
73.02945	10.2
75.65231	0.9
78.77200	0.8
82.78646	0.7
83.01427	1.0
84.77809	0.8
85.02974	5.7
87.73164	0.9
89.02456	1.8
93.03474	1.8
96.96031	1.7
99.00883	1.6
101.02427	4.8
103.04034	9.1
109.02971	3.9
111.49352	1.0
113.02431	1.1
116.92871	3.7
119.05045	1.0
123.00888	3.7
123.04105	0.9
133.02945	1.2
135.04512	1.8
137.02444	19.2
139.04021	1.3
149.02451	1.4
151.00395	27.0
151.03998	1.7
152.01158	0.9
152.04729	1.7
166.02730	81.0
167.03395	4.5
175.03940	1.5
177.01913	6.1
179.03514	1.6
181.05089	97.9
184.03767	1.4
190.06343	1.3
191.03621	1.5
191.05602	5.0
193.05077	1.6
205.05142	1.4
207.06683	1.1
347.17169	1.1
359.11227	1.2
387.10938	23.2
402.13220	11.4
417.15616	100.0
418.15674	1.2
561.19434	1.3
629.31500	1.4
665.30493	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	663.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
74.32367	1.6
78.76477	1.7
102.95029	1.5
105.50190	1.8
117.03506	2.8
126.42774	1.6
134.03748	100.0
135.04529	7.5
137.02519	1.9
138.36674	1.8
147.04456	2.0
149.06100	8.4
149.29355	1.8
150.03233	18.8
153.01917	2.2
163.04070	1.9
165.05626	1.9
176.01170	2.2
178.02747	4.4
193.05083	67.1
194.02229	2.7
209.04559	13.7
216.98112	2.5
311.58002	1.8
385.77197	1.6
396.36777	1.7
423.34995	1.7
469.33203	12.6
476.14441	1.8
663.39185	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25748	0.5
51.63998	0.5
57.66991	0.6
59.97641	0.7
63.90237	0.5
82.43417	0.7
89.04014	0.9
117.03484	7.2
119.05090	0.9
132.02216	1.7
134.03755	100.0
137.02457	0.9
145.02841	0.7
146.91602	0.7
147.04512	3.3
149.06139	6.1
151.13432	0.7
160.01685	11.3
161.02469	1.0
162.06981	0.7
175.04047	8.1
176.01115	1.6
178.02708	4.5
191.03502	1.4
193.05087	77.6
439.31870	0.9
446.80606	0.7
451.32437	4.0
469.33136	7.1
491.74039	0.7
605.95697	0.8
644.91760	0.8
645.37402	4.8
663.39215	51.2
664.39532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.2
56.87947	1.0
59.01389	10.8
60.39505	1.0
61.93845	1.0
61.98853	4.7
67.16669	1.1
71.01395	11.0
73.02962	5.2
85.02969	2.4
89.02464	7.2
99.00863	1.4
101.02456	10.3
107.77933	1.1
112.05494	1.2
113.02470	4.6
116.92820	2.2
117.61993	1.1
134.50166	1.1
161.04697	1.8
161.16737	1.1
179.03661	1.5
180.96858	1.1
181.29056	1.5
374.87891	1.2
389.59641	1.5
542.39990	1.4
625.31873	1.8
627.34186	24.7
663.31616	100.0
664.31714	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	663.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.2
56.87947	1.0
59.01389	10.8
60.39505	1.0
61.93845	1.0
61.98853	4.7
67.16669	1.1
71.01395	11.0
73.02962	5.2
85.02969	2.4
89.02464	7.2
99.00863	1.4
101.02456	10.3
107.77933	1.1
112.05494	1.2
113.02470	4.6
116.92820	2.2
117.61993	1.1
134.50166	1.1
161.04697	1.8
161.16737	1.1
179.03661	1.5
180.96858	1.1
181.29056	1.5
374.87891	1.2
389.59641	1.5
542.39990	1.4
625.31873	1.8
627.34186	24.7
663.31616	100.0
664.31714	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	663.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83244	1.0
56.81847	1.0
59.01384	47.1
60.91194	1.1
65.91038	1.0
87.04511	100.0
87.20289	1.2
94.26431	1.2
99.20911	1.2
114.09337	1.3
119.04995	2.4
191.03456	2.8
225.09207	1.5
416.70013	1.5
441.33524	1.8
453.33771	2.8
471.35025	2.5
497.29178	24.5
515.30536	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	663.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	1.3
59.01387	81.0
71.01384	43.5
71.01778	1.4
72.99306	1.1
73.02938	1.8
81.01790	0.8
83.01380	1.4
85.02959	9.5
87.00883	1.5
87.08403	0.7
89.02446	63.6
95.01392	3.7
96.96028	1.6
99.04530	8.6
101.02440	23.5
104.27987	0.9
112.28332	0.9
113.02453	23.1
113.03149	1.3
117.05618	4.7
119.03513	21.3
131.03543	1.2
143.03525	3.9
161.04590	3.2
179.05640	7.8
191.05565	1.5
191.73875	0.9
221.62387	0.9
279.10904	100.0
289.56470	0.8
383.15765	1.2
403.47452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
59.01384	31.9
61.98842	2.7
64.17976	1.0
68.99611	1.2
71.01384	24.3
71.34933	0.9
72.99314	1.4
73.02953	6.9
83.01427	2.3
85.02964	10.0
87.00872	1.2
89.02441	12.7
92.10136	5.2
95.01405	1.1
99.00874	4.8
101.02450	20.0
113.02460	8.7
116.92835	2.5
118.26743	1.2
119.03518	1.7
125.02493	1.4
134.03743	1.4
161.04582	2.8
179.05554	1.3
184.07803	1.1
250.77019	1.1
479.33401	1.3
495.29681	1.6
603.28943	5.1
603.78802	1.9
627.34003	25.5
663.31665	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	663.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58145	1.4
52.27990	1.7
59.01380	4.6
71.01386	11.6
72.99322	2.0
73.02965	9.6
85.02956	14.2
87.00874	36.9
89.59612	1.6
92.10081	3.2
93.03443	6.7
99.00867	8.0
100.49744	1.9
101.02461	2.7
111.00896	3.8
112.98827	10.4
119.05027	3.1
119.68298	2.0
120.73512	2.0
123.00879	15.3
133.02954	9.1
135.04564	13.6
136.04831	2.0
138.03209	4.5
142.99866	8.9
145.01431	4.3
147.40604	1.8
149.02507	2.2
153.05548	12.4
161.02486	19.3
163.04028	14.4
164.04807	9.3
166.02731	10.1
171.24239	1.9
173.00955	19.8
173.04555	2.3
174.01733	3.8
174.03165	1.8
175.03961	7.7
176.04761	16.1
177.01906	2.7
177.05515	1.8
178.06378	18.9
179.03534	31.5
179.07166	22.0
181.05179	6.8
190.02765	4.1
191.03545	13.9
191.05612	66.2
191.07187	7.5
192.04442	2.6
192.05928	14.1
193.05988	7.8
193.08699	17.2
194.05864	25.3
203.03537	8.3
205.05045	8.9
206.05809	8.4
209.08238	31.6
217.05025	2.7
219.03046	4.3
221.08228	7.9
227.85127	1.8
234.05418	3.5
235.05988	3.0
247.02509	16.6
249.07739	13.8
261.03979	3.9
262.04831	26.2
265.07178	13.1
276.06396	7.7
277.07159	57.6
309.09933	2.5
314.70636	2.2
337.09320	34.6
351.07159	3.0
353.08929	2.5
460.77335	2.2
578.70667	2.3
643.90759	2.2
663.21631	100.0
690.27350	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	663.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
57.03459	4.4
59.01373	5.1
61.74591	0.5
67.26307	0.6
69.03451	6.5
71.01378	11.4
73.02940	14.1
77.11971	0.8
83.01407	1.3
85.02950	35.4
87.00871	100.0
91.47622	0.6
92.65801	0.6
94.81258	0.5
95.01386	4.2
97.02942	24.6
97.05820	0.6
97.08234	0.6
101.02451	0.7
101.96527	0.6
103.04004	9.1
109.54078	0.6
111.00909	0.7
113.02449	11.1
115.00361	11.6
115.04041	3.3
125.02463	0.7
129.01932	1.3
132.28363	0.6
157.01396	8.9
175.02475	45.5
191.05602	0.8
217.03534	17.6
271.34161	0.7
303.07233	32.8
321.04514	0.9
321.08301	25.6
321.11697	1.0
415.05145	0.7
423.41449	0.8
444.07721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41335	0.6
55.01910	0.9
55.93858	0.7
57.03472	4.5
59.01406	5.5
67.92419	0.7
69.03484	5.2
71.01389	8.5
71.23805	0.7
73.02959	12.6
81.95438	1.0
83.01409	0.8
85.02956	32.9
85.03453	1.2
87.00882	100.0
92.10771	1.1
95.01410	4.4
97.02324	1.5
97.02949	22.8
97.03572	1.1
103.04015	7.4
109.31301	0.8
113.02486	7.8
115.00389	10.8
115.04019	1.1
120.96724	0.8
127.87644	1.0
141.80536	0.9
157.01448	6.2
175.00977	1.5
175.02501	42.2
181.00636	0.8
216.86014	0.9
217.03581	14.2
253.84529	1.0
273.97238	0.8
292.14236	0.8
303.07278	31.0
321.08350	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40413	0.5
59.01387	6.2
61.98839	2.0
62.55003	0.4
63.17240	0.5
63.68549	0.4
63.82353	0.5
64.37488	0.5
68.94623	0.5
71.01378	4.7
73.02958	0.9
83.01408	0.7
85.02960	1.3
86.45085	0.5
87.00867	0.5
87.16940	0.5
88.16206	0.5
89.02456	2.4
92.10786	1.6
92.97400	0.5
93.03470	2.7
96.96013	1.3
99.00887	1.3
99.77659	0.5
101.02459	2.1
109.62680	0.5
113.02487	1.1
116.92856	2.6
117.03455	4.3
119.05026	100.0
120.88731	0.5
121.02963	2.5
132.02177	4.4
132.04588	0.6
133.02965	7.4
133.06514	0.9
134.03745	8.2
135.04539	8.3
137.73824	0.5
145.02959	11.8
149.06082	2.2
155.55902	0.5
158.93941	0.7
160.01675	27.6
161.02455	27.1
161.03731	1.1
161.06085	0.8
163.04025	36.7
173.04437	0.6
175.04030	30.4
177.05586	10.8
178.02731	2.1
179.03532	4.7
180.03860	0.7
191.05658	7.6
192.05986	2.0
193.05008	8.3
221.04491	1.1
239.08546	0.5
241.59464	0.6
260.98468	0.6
323.07788	10.6
337.09286	15.3
436.79428	0.5
472.58386	0.7
501.14148	52.4
536.48267	0.6
603.29944	0.9
627.36176	3.4
663.17950	1.3
663.33344	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	661.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95979	1.2
59.01390	14.0
64.95572	1.2
71.01394	13.1
73.02950	2.1
78.45338	1.1
85.02960	2.3
89.02451	16.8
96.96014	1.8
99.00882	6.8
101.02467	7.6
113.02469	1.7
119.03548	1.7
120.77864	1.7
143.58051	1.3
144.11021	1.5
149.04553	2.1
159.50793	1.3
179.87534	1.6
191.05594	2.4
249.24571	1.3
296.96106	1.4
348.63663	1.5
522.47522	1.6
625.32465	33.7
661.30084	100.0
662.30042	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	661.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90077	1.0
59.01383	18.3
61.98848	3.9
71.01382	14.9
73.02953	4.7
85.02966	4.6
85.31146	0.9
89.02434	19.7
99.00887	7.6
101.02440	9.7
113.02464	4.6
130.69104	1.0
131.03520	1.4
141.24022	1.0
144.48627	1.0
148.58556	1.1
149.04570	6.8
191.05605	7.8
196.31619	1.0
233.06764	1.6
601.31812	1.6
625.32397	44.5
661.30096	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	661.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.0
71.01390	10.1
73.02969	4.5
85.02975	4.2
89.02450	8.7
97.02973	0.9
99.00889	3.0
101.02444	9.2
103.46275	0.8
113.02460	4.2
119.03503	0.7
125.02454	3.0
132.69885	0.7
135.85184	0.7
141.81995	0.8
143.03587	0.8
161.04620	1.5
190.25269	0.7
233.06683	3.1
259.84787	0.8
269.19098	1.2
287.20236	1.1
331.22928	13.5
359.45563	0.9
521.64172	0.8
625.32416	49.6
626.32953	1.0
661.30109	100.0
662.30139	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	661.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
58.00618	0.6
59.01390	26.7
69.03448	0.4
70.14362	0.3
71.01385	12.7
71.01770	0.5
72.99329	0.7
83.01411	1.6
85.02970	4.3
85.06596	10.6
87.00883	0.6
89.02450	17.1
93.03461	0.6
95.01405	0.9
101.02452	9.8
113.02473	6.1
113.06107	4.8
115.07649	1.6
119.03521	5.5
127.07647	2.1
128.28731	0.6
131.07152	47.9
135.04523	2.6
150.03239	2.3
165.01976	0.7
165.05626	3.1
173.04588	3.2
173.08203	2.2
179.03580	1.5
180.04320	1.0
191.05667	4.8
195.06673	2.3
230.17055	0.4
293.12488	100.0
349.49231	0.5
353.09021	1.8
390.45648	0.4
439.16064	0.9
603.72028	0.5
620.52911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00621	1.8
59.01387	33.0
62.80322	1.6
62.80645	1.7
69.03485	2.6
71.01386	31.2
72.99325	8.1
73.02962	10.9
83.01385	3.4
85.02969	11.5
87.00890	2.4
89.02431	26.5
92.10806	4.4
93.03491	7.7
99.00875	16.9
100.01695	2.8
101.02422	12.9
109.02998	2.3
111.00872	14.4
113.02483	9.2
113.99606	37.0
115.00357	3.0
121.02959	100.0
125.02489	3.2
131.03520	3.7
132.02184	13.2
133.02975	7.6
134.03731	43.4
135.04521	10.6
137.02437	3.8
147.04607	2.0
149.04575	4.7
149.06084	4.2
156.00687	42.8
160.01666	63.7
161.02449	10.6
161.04524	2.8
173.04585	3.4
174.01709	61.4
175.02521	4.2
175.04007	79.7
176.04608	3.0
179.03490	4.6
191.05606	13.6
191.07217	7.4
193.05049	37.2
197.04547	2.7
207.06505	3.1
209.04578	62.6
235.06151	19.7
241.05064	10.3
249.15103	1.9
256.07370	3.6
271.09808	8.3
295.08145	3.2
337.09406	3.3
341.08826	6.4
347.02356	2.1
397.11517	2.7
499.14615	22.5
543.24652	9.9
561.25568	20.4
568.53522	2.1
585.18311	43.0
601.25073	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87618	0.2
57.03442	0.4
57.84896	0.3
59.01385	4.0
60.99318	0.4
61.98833	5.6
64.93098	0.2
67.01894	2.8
69.03495	0.3
71.01379	3.7
73.02953	0.7
76.14658	0.3
76.57248	0.3
81.03468	1.2
83.05030	2.1
85.02950	7.7
85.71627	0.2
85.77345	0.3
87.00868	4.8
89.02457	2.4
91.99541	0.3
93.03455	18.2
96.96020	1.3
97.38113	0.3
97.74809	0.3
99.00859	0.5
101.02445	1.5
107.01015	0.2
109.02979	0.5
111.04499	3.2
111.14106	0.2
113.02479	0.6
117.03482	0.6
119.05022	1.3
121.02933	0.5
127.04028	1.9
129.01936	0.6
133.02960	2.4
134.03741	1.3
135.04533	25.9
137.02460	0.5
145.02992	3.8
152.03656	0.3
153.01949	0.4
155.03546	1.1
161.02455	12.3
163.04018	0.6
171.02979	0.5
173.04575	4.8
179.03513	15.5
179.05121	0.6
191.05632	100.0
192.06053	0.4
199.18176	0.3
225.16083	0.3
353.08798	3.8
395.09976	1.3
420.35410	0.3
469.11581	1.2
515.13904	4.9
533.15936	0.3
544.18958	0.4
597.38885	2.0
598.39044	1.9
625.32990	1.3
661.17969	26.5
661.29730	3.1
662.18298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65731	0.9
54.45439	0.9
54.73869	1.0
59.01388	2.7
61.27639	1.1
64.20760	1.0
84.48248	1.3
85.02934	9.2
86.18891	1.4
87.00876	1.6
93.03485	7.0
96.96017	2.7
105.03487	1.4
109.02979	1.2
111.04544	1.1
122.03748	4.8
133.01996	1.3
133.02972	7.8
135.04520	21.3
137.02492	1.7
149.02464	17.5
150.03242	47.3
164.04787	5.6
165.01929	25.8
165.05565	48.5
173.04617	2.2
176.96161	1.4
179.03516	18.0
180.04312	28.4
191.05637	100.0
192.05983	10.3
193.06119	5.6
195.06644	70.9
195.08470	1.2
245.26025	1.2
301.07239	2.8
307.08228	7.9
315.08585	1.4
331.12033	9.7
345.18805	1.2
351.07266	2.5
353.08960	11.4
355.86417	1.4
362.55371	1.3
391.14252	7.5
439.16174	50.3
498.38672	1.4
554.09296	1.3
580.22705	1.2
643.77130	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	660.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82786	3.7
74.98057	3.5
82.95418	100.0
82.95872	6.6
84.00906	80.2
84.01323	4.9
84.95176	5.5
100.54556	3.9
155.15936	4.2
170.02431	4.1
186.58095	4.2
275.53531	3.7
408.04794	4.2
487.83340	4.5
594.38611	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	661.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82747	0.5
57.03460	0.6
59.01379	6.8
59.01597	0.4
59.95226	0.4
60.99324	0.5
61.98852	2.2
67.01907	2.4
69.03480	0.5
71.01383	3.6
73.02964	1.0
76.63485	0.5
81.03485	0.6
81.74346	0.4
83.05063	0.5
84.39654	0.4
85.02946	8.3
87.00878	5.8
89.02452	1.9
93.03456	19.0
96.96021	0.9
99.00889	0.8
101.02460	0.9
107.08640	0.5
109.02977	0.9
111.04523	3.9
117.03483	0.9
119.05050	0.9
127.04017	2.1
133.02975	2.5
134.03749	3.0
135.04527	23.9
136.01660	0.8
137.02464	0.7
140.87473	0.5
145.03006	2.6
150.03276	0.6
151.04005	0.6
155.03519	1.0
160.01672	6.4
161.02458	8.3
163.04037	0.5
173.04565	5.2
175.03961	4.8
175.78163	0.6
179.03511	20.0
179.05119	0.6
191.05635	100.0
192.05983	0.9
193.05020	3.4
197.04599	0.6
235.06036	2.2
241.05209	4.0
256.07480	2.2
271.09698	1.7
282.62686	0.6
341.08734	2.7
353.08975	1.0
487.12549	1.0
499.15158	0.6
585.18585	2.4
661.17822	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	661.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73613	0.5
56.64382	0.5
59.01382	9.1
61.98857	2.9
71.01379	6.0
73.02963	2.6
82.12724	0.6
83.01390	0.7
83.05051	0.7
85.02950	14.0
87.00879	4.6
88.98824	0.7
89.02461	4.4
93.03453	7.9
95.12640	0.6
96.95999	4.6
99.00996	0.6
101.02454	3.2
102.61429	0.6
107.45568	0.6
109.02958	2.5
111.00882	0.7
111.04535	1.0
113.02484	1.1
114.08935	0.6
116.92888	0.9
117.03445	1.2
119.05043	3.3
127.04025	2.6
130.94377	0.7
132.02182	0.8
133.02954	10.0
134.03841	0.8
135.04541	6.4
137.02473	0.9
143.03564	0.8
145.02998	9.3
148.06635	0.6
149.04547	0.8
155.03491	0.7
160.01680	3.3
161.01108	1.7
161.02454	53.3
163.04053	3.3
173.04558	3.0
175.04018	0.9
179.03543	3.2
191.05634	100.0
235.06183	0.9
307.08401	3.4
323.07794	3.0
344.31171	0.7
353.06772	2.7
357.75162	0.7
361.84625	0.7
439.15997	0.8
439.21921	1.1
440.71176	0.8
469.11514	23.9
490.16110	0.8
515.14026	1.3
601.33301	2.7
625.32056	0.7
661.17590	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	659.3217
Annotation	Gambogoic acid A
Peak:m/z	Relative Intensity
51.00098	6.9
51.17544	6.7
53.09064	9.4
56.51655	8.1
59.01398	16.5
71.01404	10.3
73.02941	8.2
80.73356	10.1
82.95432	100.0
89.51254	7.5
92.10128	14.1
92.65774	9.5
93.35248	8.2
96.96015	14.3
98.94556	9.8
99.28588	9.0
105.01142	8.1
443.82166	10.3
623.33215	15.8
659.32440	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.36086	1.8
65.03335	1.7
66.06486	1.7
114.29765	2.1
114.39722	2.1
156.67482	2.1
180.76303	2.0
238.43048	1.8
367.92834	2.2
411.87051	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	659.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.6
59.01386	28.4
61.98829	9.4
65.13480	1.7
71.01380	35.1
72.99305	2.4
73.02950	10.1
79.95742	3.1
80.70075	1.7
80.75934	1.6
80.76421	2.1
81.19608	1.8
83.01386	3.0
85.02493	1.8
85.02957	12.9
87.00855	1.9
89.02446	21.0
93.03448	2.2
96.96006	3.8
98.95623	3.6
99.00887	4.1
101.02441	26.5
113.02477	13.7
124.12608	1.8
127.03979	2.5
150.76073	1.9
161.04642	2.3
191.05540	7.3
221.70259	2.4
329.21225	7.5
431.00797	2.1
623.30737	72.4
659.28192	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	659.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07477	1.3
58.69620	1.3
59.01382	28.1
61.98828	2.9
64.79316	1.5
71.01049	2.0
71.01382	28.7
72.99294	1.7
73.02948	13.3
75.00798	2.2
83.01356	2.8
84.73219	1.3
85.02943	11.6
87.00880	1.8
89.02441	22.4
92.10694	2.2
96.95995	2.1
97.02940	2.2
99.00875	8.4
101.02432	29.2
113.02434	9.8
119.03493	2.2
125.02414	2.5
126.93502	1.7
145.31438	1.8
149.04530	3.5
161.04482	3.0
175.03970	1.8
191.05656	2.3
233.06488	1.8
329.21313	10.7
334.43198	1.8
491.26321	3.4
555.48383	2.1
599.30151	9.5
623.30853	84.5
659.28241	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	659.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96416	2.7
53.81503	2.9
55.01901	3.4
59.01383	53.0
59.01598	3.3
61.98833	6.1
71.01389	47.4
73.02953	19.7
73.87354	3.1
82.72571	3.6
83.01411	4.7
85.02966	20.1
89.02424	29.3
96.96016	7.9
99.00903	6.4
101.02463	31.3
113.02458	19.0
123.08184	23.2
125.02453	5.0
131.03525	4.1
133.03027	3.4
149.04573	5.1
157.23219	3.8
161.02496	7.8
161.04555	7.9
191.05637	15.4
329.21442	6.4
330.10513	3.8
373.35062	4.8
491.27014	4.9
547.77960	4.8
599.30731	30.4
623.30859	46.8
628.80579	5.0
659.28040	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	659.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03454	0.9
58.00600	1.6
59.01385	91.3
62.97950	0.7
63.61025	0.7
70.36932	0.8
71.01381	58.0
72.11461	0.7
72.99306	1.3
73.02940	18.0
75.00881	1.2
83.01382	1.1
85.02955	10.0
87.00867	1.4
88.21908	0.8
89.02441	100.0
89.78777	0.6
95.01399	1.7
97.02965	1.2
99.00875	21.2
101.02440	36.5
102.50520	0.7
108.02155	1.4
109.02963	0.9
113.02448	22.1
119.03500	16.8
121.39908	0.8
125.02435	6.9
131.03514	11.7
133.74272	0.7
143.03490	4.6
143.10774	20.0
149.04555	32.3
152.01189	1.1
153.02007	0.9
155.10732	1.0
157.12280	3.4
159.02879	0.9
161.04584	10.0
179.05626	32.0
185.11821	4.0
191.05611	8.7
215.12894	1.7
221.06573	2.9
233.13919	0.9
251.07759	9.0
263.07675	4.7
275.07715	7.0
293.08844	9.2
305.16031	1.6
371.11957	3.9
405.06934	0.8
455.14267	6.9
473.15176	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	659.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68517	2.9
55.01884	3.7
59.01384	51.5
61.98845	13.9
71.01385	54.7
73.02965	17.9
79.90244	3.6
83.01422	8.7
85.02961	19.6
87.00890	4.0
89.02454	39.9
93.03465	4.6
96.96004	6.0
99.00902	8.5
99.31807	3.1
101.02444	34.9
109.03005	4.6
113.02502	13.3
125.02458	5.8
137.02437	7.9
149.04503	6.8
161.02419	5.5
161.04573	8.0
162.29512	3.4
165.01961	5.7
191.05632	22.2
291.92001	3.4
315.12610	3.5
487.69833	4.1
598.29175	4.0
598.79675	4.0
599.30328	46.3
621.26855	4.2
623.30780	34.5
659.28381	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	659.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11750	0.5
59.01385	70.4
63.83020	0.5
66.95430	0.6
102.59656	0.7
126.13697	0.6
127.99964	0.8
132.98195	2.6
157.03548	1.3
159.01476	0.9
174.99261	27.7
192.95912	0.9
201.02580	18.4
217.00325	100.0
238.37169	0.9
285.92130	0.9
343.03940	1.0
359.01532	21.3
360.68063	0.8
374.99243	35.9
509.38834	0.7
516.87946	0.9
517.00574	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	659.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	0.1
59.01379	1.4
60.11511	0.1
67.01898	0.3
68.33864	0.2
69.03481	0.2
71.01394	0.8
72.40961	0.2
80.21022	0.2
81.03464	0.2
83.05054	0.2
85.02968	6.5
85.03461	0.3
87.00854	1.5
88.85303	0.2
93.03465	3.7
94.03783	0.2
101.02459	0.2
105.03477	0.9
107.05004	0.2
109.02958	0.8
111.04544	1.7
127.04018	1.8
133.02969	5.0
134.03253	0.7
135.03539	0.3
135.04533	8.7
136.04884	0.2
137.02435	0.2
155.03493	0.3
158.98927	0.2
160.99849	0.2
161.02440	2.3
171.03041	0.3
173.04546	2.4
177.01942	1.3
179.03522	6.3
191.05643	100.0
191.44835	0.2
192.05980	0.8
215.05765	0.3
222.81175	0.2
351.07327	1.2
353.08835	14.3
374.44467	0.2
450.11963	0.2
518.66357	0.2
519.00677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10564	0.5
56.32423	0.4
57.03451	0.5
57.63562	0.4
59.01388	5.7
61.98836	3.4
62.83527	0.4
71.01389	5.9
72.99316	2.3
79.95734	49.1
80.37936	0.4
80.96511	13.9
85.02953	8.4
87.00895	4.8
89.02442	2.6
91.10288	0.5
96.96007	82.8
99.00885	0.7
99.04561	0.7
101.02451	4.3
109.02998	0.8
111.53580	0.6
113.02454	1.0
121.02921	1.0
121.67528	0.5
122.97614	1.0
125.68020	0.5
126.15128	0.5
127.03996	3.5
136.07689	0.7
137.46178	0.5
137.96297	9.6
138.97078	7.4
140.77296	0.5
150.97054	2.4
166.96573	1.3
167.00174	1.3
177.26904	0.7
191.05533	1.3
225.00777	50.0
247.60832	0.6
257.12744	0.8
597.23865	6.9
597.32684	3.0
611.36749	0.6
657.25983	100.0
658.26019	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	657.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14095	0.5
54.52179	0.5
54.82858	0.5
59.01386	100.0
96.99332	1.0
116.92849	0.7
141.01707	36.0
160.88020	0.6
208.14661	0.6
279.23370	1.2
284.95316	0.6
393.21460	0.8
481.78012	0.7
537.29218	0.8
615.06799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	50.3
61.98853	7.7
71.01418	8.2
79.95753	6.2
80.91711	29.1
85.02948	6.0
87.00910	5.7
90.91075	4.5
96.96017	80.4
101.02431	21.2
141.01730	6.4
241.00252	8.9
257.36008	5.7
405.78784	6.2
410.06870	6.5
489.34491	8.0
593.60016	6.2
621.38617	93.2
657.34137	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	657.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01921	0.8
59.01386	100.0
60.93772	0.7
61.57936	0.8
61.98851	2.8
65.03973	0.7
71.01383	5.3
72.99306	1.1
73.02942	1.6
75.00881	1.0
77.22471	0.7
85.02970	3.7
89.02463	4.8
93.03458	57.3
95.01414	1.1
96.96019	3.6
99.00897	1.1
101.02470	1.8
111.04517	1.2
113.02470	0.9
116.92901	4.3
121.02962	3.3
131.13403	0.8
133.02988	3.0
135.04526	5.8
136.01610	0.8
137.02455	81.5
139.04027	0.8
151.04091	1.0
155.10738	0.8
161.02457	7.9
164.01271	0.9
165.01939	37.3
173.04559	3.3
176.04779	4.3
177.02042	1.1
179.03532	30.8
180.04315	28.3
191.05637	13.4
191.07167	1.3
194.05873	15.1
195.04817	1.2
195.06654	54.0
209.08231	15.9
210.05338	7.1
225.07726	54.2
230.27727	0.8
239.07214	0.9
265.05045	0.9
285.03979	0.8
293.04523	1.2
311.05780	1.6
317.87689	0.8
357.09879	5.3
372.12088	5.4
387.14600	27.0
435.16669	21.4
435.22592	1.4
439.10486	1.1
486.66284	0.9
597.21344	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	657.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92958	0.6
58.00601	0.6
58.07260	0.6
59.01387	16.5
71.01379	7.3
73.02956	0.6
84.10616	0.6
85.02959	5.7
87.00895	2.5
89.02445	5.0
92.10693	0.8
93.03468	5.1
94.61288	0.7
96.96040	3.3
101.02456	2.9
101.06084	0.7
109.02977	1.0
111.04495	0.7
113.02470	3.2
116.92850	1.2
119.03466	1.0
119.05059	1.0
120.99674	1.1
121.02934	3.3
123.00898	1.0
124.01624	5.1
127.04024	0.8
130.98506	0.6
135.04549	1.2
137.02448	3.2
138.03278	1.0
139.04016	10.1
145.02997	5.4
147.04559	2.7
151.00386	22.8
151.04042	1.4
152.01164	2.5
153.05614	1.0
158.03783	0.6
159.04323	0.6
160.01682	2.8
161.02417	2.4
162.03328	1.0
163.03999	6.4
166.02725	66.0
167.03517	0.9
173.02475	5.2
173.04562	3.3
174.03220	4.2
175.04002	12.7
176.04829	1.2
177.02069	0.7
177.05605	3.6
178.06340	3.1
179.05571	0.8
180.04338	0.8
181.05083	77.6
188.04767	3.4
189.05516	3.6
190.06398	9.5
191.05659	18.8
191.07266	1.6
192.04333	1.6
193.05046	11.7
193.06548	0.9
194.05815	1.1
203.07274	1.2
203.41579	0.7
205.05167	0.9
205.08740	11.2
207.06627	4.0
208.07420	9.2
211.07582	0.9
221.06033	0.9
223.09769	16.0
237.05640	0.9
239.07216	1.6
241.05066	3.4
249.05420	1.1
253.05118	1.2
255.06523	1.2
256.07446	1.6
265.04861	1.2
267.06696	5.0
269.04572	5.3
283.06161	1.3
284.06992	3.1
293.04614	5.8
294.05258	1.0
297.04105	23.1
299.09265	2.7
308.07166	1.0
309.04132	3.4
309.07758	3.9
311.05707	11.1
312.06476	31.7
324.06479	2.6
327.08813	52.6
328.09628	0.7
337.09293	0.9
339.08743	3.6
341.10446	0.8
342.11145	66.3
343.11594	0.8
350.55865	0.7
354.11139	4.7
357.13498	100.0
358.13943	1.1
369.13455	8.9
375.14536	20.5
387.10593	1.3
405.15616	98.2
417.15588	10.2
428.87863	0.7
435.16788	12.4
439.10431	3.8
465.08231	3.4
567.20764	3.2
627.64124	0.7
657.14398	0.9
677.38770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88673	0.1
51.31087	0.1
51.99119	0.1
55.88634	0.1
57.03465	0.2
57.11783	0.1
57.40528	0.1
59.01390	1.3
60.60097	0.1
63.58512	0.1
67.01904	0.2
69.03481	0.1
69.85589	0.1
71.01391	1.0
73.02962	0.3
81.03449	0.1
85.02956	6.5
87.00876	1.9
87.04545	0.1
89.02451	0.3
93.03461	3.1
95.05109	0.1
96.96003	0.2
97.64803	0.1
99.04548	0.3
101.06097	0.2
105.03475	0.3
109.02969	0.7
111.04523	1.4
111.86365	0.1
113.02454	0.1
121.03006	0.2
125.02488	0.2
127.04025	1.7
129.01945	0.2
132.17191	0.1
132.42184	0.2
133.02965	3.1
134.03316	0.3
135.04538	0.9
137.02457	0.2
145.02977	0.2
155.03683	0.1
155.04993	0.2
160.01556	0.1
161.02475	3.0
162.71344	0.2
163.04114	0.2
171.03052	0.3
173.04515	1.8
177.01952	0.6
179.03529	0.3
182.04269	0.1
191.05652	100.0
192.05989	0.6
226.09312	0.1
229.62529	0.2
311.05801	0.3
351.07141	0.6
351.12671	0.2
352.07462	0.3
353.08865	13.4
439.11038	0.2
639.59119	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	657.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61852	0.6
56.66680	0.6
59.01387	10.3
63.56228	0.7
71.01398	4.0
73.33517	0.7
75.00873	1.0
79.37748	0.7
85.02979	3.4
89.02476	3.3
93.03465	4.1
96.96021	4.7
101.02461	1.3
105.77906	0.8
109.02982	1.4
113.02473	1.4
116.92848	1.3
121.02974	3.4
123.00893	3.6
124.01611	1.3
125.02443	1.1
132.05666	0.8
135.04524	4.6
137.02451	11.2
137.09726	0.9
138.03217	1.1
139.04018	4.1
145.02965	1.1
150.99181	1.0
151.00383	21.4
151.04024	1.4
152.01146	1.3
152.04799	1.4
155.10864	1.5
159.04587	1.1
161.02357	0.9
163.03972	1.6
165.01936	0.9
166.02725	88.6
167.03503	2.8
173.02402	0.8
173.04475	1.5
175.03984	7.0
177.01921	4.8
177.05548	1.4
179.03520	3.3
180.04312	0.8
181.05081	100.0
184.03627	0.8
188.04768	1.8
189.05486	3.0
190.06375	5.0
191.05652	16.7
191.07214	1.8
192.04343	1.7
192.05988	1.4
193.05058	3.4
199.09637	1.0
205.05016	1.9
205.08769	4.5
207.06587	2.5
208.07472	2.7
209.04506	1.1
221.06149	1.1
223.09821	3.3
237.05714	1.7
239.07027	0.9
249.05443	1.2
265.04865	1.3
267.06638	5.7
269.04529	1.8
275.03403	1.2
277.26987	0.9
284.06827	2.9
286.71677	0.7
293.04703	5.6
297.04083	8.5
311.05670	11.7
312.06412	12.2
327.08792	22.6
337.03680	1.1
342.11090	28.3
357.13474	48.6
358.13724	1.0
359.11545	4.2
375.14224	5.2
387.10870	16.3
399.15024	0.9
401.07071	0.8
402.13309	7.9
405.15579	48.1
417.15625	56.9
435.16617	22.3
439.10806	5.3
465.08673	3.5
495.20581	1.2
567.20966	1.0
657.14734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82934	1.3
54.87103	1.0
55.01894	7.7
55.71698	1.0
56.29579	1.1
56.94387	1.1
57.03442	2.7
58.00612	1.2
59.01389	42.4
61.98841	2.9
69.03452	1.2
71.01389	45.5
72.99342	1.5
73.02940	15.2
78.40131	1.2
79.95759	8.5
80.05080	6.2
80.96532	2.2
83.01397	9.6
85.02969	33.0
85.03468	1.7
85.57417	1.0
87.00907	6.8
89.02445	17.1
95.01406	2.6
96.96025	21.0
97.01677	1.2
97.02927	1.5
97.45925	1.4
99.00890	6.4
101.02452	41.0
106.06636	22.5
108.04566	22.0
108.08208	5.3
112.07821	1.3
113.02460	20.8
119.03516	2.0
122.06129	6.0
124.07672	10.2
125.02435	1.8
129.01942	1.6
132.04562	14.9
132.08200	1.6
134.06111	8.2
134.09753	6.3
135.04651	1.2
136.07681	41.5
145.03000	1.3
148.07675	1.6
150.05661	3.1
152.07185	5.0
159.03052	1.9
161.04581	14.1
168.06834	2.3
178.05104	6.3
183.09297	7.0
191.05571	5.2
211.08766	1.9
213.10382	2.8
224.09547	2.9
225.00824	7.1
225.10316	7.3
228.09143	1.6
239.11938	6.4
241.09845	1.5
255.11429	5.6
257.12988	100.0
267.11481	1.6
285.12393	2.4
293.08960	1.6
329.11530	2.1
333.24384	2.0
392.19907	6.5
436.18860	58.6
449.15140	1.3
462.20462	2.3
467.21164	1.9
495.29764	16.3
504.44043	1.5
569.24133	28.1
595.21997	2.2
613.23096	79.3
657.25555	13.2
657.35254	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.4
59.30036	1.0
59.78378	1.0
71.01382	12.1
72.99332	1.4
73.02946	6.0
75.00900	1.1
78.93142	1.0
83.01418	1.1
84.52267	1.3
85.02959	4.3
86.53095	1.2
87.00887	2.2
89.02457	5.9
93.03456	2.7
96.96008	2.6
99.00877	1.0
101.02427	9.2
109.02979	1.5
113.02446	7.0
116.92854	1.4
117.03483	4.4
117.55232	1.0
120.88100	1.1
121.02995	4.1
125.02467	1.3
129.27505	1.1
132.02153	14.9
133.02980	2.4
134.03738	38.0
135.04521	4.8
136.01675	20.8
137.02455	4.3
149.04640	1.3
149.06085	8.0
151.04004	13.7
160.01669	85.0
161.04517	1.3
163.04033	1.1
165.05598	1.3
175.04015	100.0
179.03558	2.3
185.06129	1.9
187.12891	1.1
191.05605	13.3
191.07123	1.5
192.52213	1.0
193.05087	26.1
195.04456	1.8
212.04816	1.7
213.05620	19.2
223.04109	2.4
224.04788	1.6
241.05090	95.5
256.07446	66.9
271.06812	2.6
271.09787	82.8
305.10202	1.6
319.11938	5.8
337.09354	90.8
460.22903	1.3
597.29150	8.3
657.22241	15.6
657.37598	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	655.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90421	3.1
59.01384	67.3
59.01651	4.0
69.29778	3.4
71.01384	48.4
73.02951	17.3
75.00875	3.6
83.01381	3.7
85.02977	29.6
89.02445	30.7
91.81358	3.4
92.10110	9.6
93.03413	4.2
96.96052	5.8
97.53525	3.7
99.00864	7.0
101.02451	37.1
113.02460	20.9
119.03471	6.0
146.56610	3.9
151.04027	18.7
161.02386	4.5
173.04565	4.2
176.07664	3.6
191.05653	18.2
207.16472	3.8
361.29706	14.7
463.87540	4.3
523.34784	8.0
649.22131	4.4
655.39478	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	656.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12614	0.3
59.01390	0.8
61.98840	24.9
75.17840	0.4
83.01395	0.7
85.02943	0.5
89.02457	0.6
93.03480	2.7
101.02454	0.4
107.01398	2.5
109.02971	0.6
117.03509	0.5
132.02167	0.5
135.00893	2.0
143.05020	1.6
145.02974	0.5
151.00372	5.1
154.04213	0.4
159.04457	0.9
163.00366	2.6
164.01186	0.5
169.06508	0.6
171.04611	0.5
177.05629	0.5
185.06119	2.6
187.04060	3.4
189.05461	0.7
191.05675	1.7
195.04529	0.5
199.03992	0.8
200.04686	0.6
201.05618	0.5
211.04085	3.7
212.04782	0.6
213.05618	2.4
214.02736	0.6
216.47302	0.4
221.04506	0.4
227.03537	41.6
229.05064	16.7
239.03493	2.1
240.04266	0.8
241.05115	2.1
255.03012	71.1
256.03714	4.8
257.04575	8.2
267.02982	0.8
284.03296	85.4
285.04080	100.0
286.04370	0.9
327.05185	0.7
474.69012	0.5
581.99811	0.4
593.15253	86.3
594.15662	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	656.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.0
60.01719	0.7
61.01818	0.6
61.98838	100.0
66.43528	0.1
66.52444	0.0
71.01395	0.9
72.01723	0.1
73.02956	0.2
78.90001	0.0
83.01392	0.1
85.02966	0.4
89.02451	0.4
93.03481	0.1
93.42527	0.0
95.01356	0.1
99.00890	0.1
101.02441	0.7
102.02826	0.1
113.02442	0.2
119.03454	0.1
161.04572	0.1
182.27306	0.1
191.05640	0.1
205.84480	0.1
250.21814	0.1
352.08322	0.1
353.21158	0.1
354.21555	0.3
355.22180	0.2
391.07870	0.1
515.26416	0.1
516.27094	0.5
517.27289	0.9
518.27515	1.3
534.27655	0.1
535.28113	0.2
536.28577	0.5
595.30304	0.1
596.30817	0.3
656.39990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56462	0.2
59.01388	100.0
65.23709	0.1
66.32229	0.2
71.01395	0.2
74.99384	0.3
92.10121	0.3
96.99307	2.1
97.02958	0.2
101.00930	0.3
113.00988	0.2
115.51122	0.2
117.00438	0.2
141.01712	35.7
156.01387	0.2
164.34947	0.2
173.03101	0.3
257.05328	0.2
259.06091	0.2
275.06146	2.0
277.21744	2.1
335.08289	0.2
359.21741	1.1
391.19617	1.5
401.21674	0.2
535.27704	1.2
563.06665	0.2
565.13690	0.2
595.29877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32086	0.6
55.01880	4.9
57.03459	3.7
58.00597	0.7
58.97186	0.6
59.01388	31.4
61.98849	2.6
66.39046	0.5
69.03461	1.1
71.01383	38.6
71.41542	0.7
73.02946	19.3
75.00891	0.6
83.01390	7.7
85.02955	19.0
87.00886	1.3
89.02446	16.9
95.01383	3.1
97.02969	3.1
99.00876	7.4
101.02448	39.0
101.31219	0.8
111.00894	1.4
113.02466	16.7
115.04035	1.1
119.03506	2.7
125.02454	2.8
129.01949	1.1
131.03519	1.6
159.02969	1.4
161.04575	6.1
233.06683	1.1
254.04482	0.8
287.57471	0.7
297.27032	0.7
315.23331	3.8
393.71759	0.7
477.28708	7.5
595.37268	1.2
609.32959	100.0
655.34387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55099	1.6
79.36849	2.1
79.95757	9.4
80.96529	7.7
96.96010	77.7
101.02444	2.2
116.77675	1.9
116.92909	2.0
138.97101	3.9
151.76338	1.9
241.00258	12.3
264.56387	1.8
420.15311	2.1
655.38904	100.0
682.28351	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	654.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50383	0.1
54.82489	0.1
57.03453	0.2
57.19603	0.1
59.01391	0.3
60.43953	0.1
61.98841	100.0
65.06809	0.1
70.76881	0.1
78.15526	0.1
82.11550	0.1
85.02966	1.0
86.03288	0.2
86.52489	0.1
95.01404	0.1
98.76562	0.1
102.30933	0.1
189.35426	0.1
210.59167	0.1
475.96649	0.1
516.29346	0.1
542.07422	0.1
576.31628	0.1
593.32062	0.2
594.32819	0.6
644.19763	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	655.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	1.4
59.01385	100.0
71.01403	3.2
72.77968	0.7
72.99327	4.3
73.02949	1.3
87.00876	54.4
89.02462	1.7
92.10806	1.8
93.03436	0.8
96.96041	1.2
99.00893	0.8
101.02434	1.6
103.00372	43.3
112.98821	1.0
116.92874	4.0
121.02955	95.7
126.94035	0.8
130.99864	35.0
135.04544	1.4
136.01595	0.7
153.93063	0.9
164.07230	1.3
166.02724	1.5
173.04517	0.8
181.05147	1.9
191.05653	4.4
222.44754	0.8
253.03564	53.0
271.77600	0.8
299.72571	0.8
637.28644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98834	0.3
66.54719	0.2
66.85257	0.2
71.01418	0.3
73.16612	0.3
84.33656	0.2
96.99323	2.1
98.04715	0.2
103.96438	0.2
119.05030	10.9
120.05382	0.5
121.14533	0.2
127.63323	0.2
135.15543	0.3
141.01715	40.1
145.02974	1.0
163.04028	13.4
164.04369	1.1
253.09386	0.3
275.06293	1.7
277.21741	2.3
344.90775	0.3
359.22067	0.5
371.46002	0.3
391.19824	0.5
397.08487	0.3
453.33923	4.4
454.34149	0.5
455.34000	0.3
496.32886	0.3
534.30792	0.3
535.27649	0.4
617.38568	10.3
618.39313	1.5
619.39276	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	654.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36641	0.1
51.47351	0.1
54.34501	0.1
59.01385	0.7
61.98834	100.0
68.71209	0.2
77.60046	0.1
79.73882	0.2
85.02956	0.7
101.59471	0.2
111.67077	0.2
114.16255	0.1
117.09695	0.1
131.20116	0.1
156.58946	0.2
164.06830	0.2
178.65433	0.2
233.40065	0.2
400.70636	0.2
552.31781	0.2
594.33002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.8
60.01723	0.7
60.47129	0.1
61.01824	0.5
61.98837	100.0
77.22352	0.1
129.61983	0.1
144.22208	0.1
169.42375	0.1
183.98079	0.1
187.58134	0.1
283.99292	0.1
287.98792	0.1
514.29022	0.7
515.29211	0.7
516.29608	1.2
522.89240	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58126	0.1
59.01377	0.1
59.17704	0.1
61.98835	100.0
66.80909	0.1
85.02944	0.2
118.36297	0.1
270.92001	0.1
278.91837	0.1
301.20737	0.1
331.62909	0.1
365.77631	0.1
456.91275	0.1
594.32294	0.2
620.78406	0.1
661.05170	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	653.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27243	1.2
55.01892	4.8
57.03466	2.8
59.01394	49.9
61.98846	2.5
71.01392	44.6
71.05004	1.5
72.99310	3.1
73.02955	18.6
83.01409	7.0
85.02970	21.9
87.00893	7.8
88.98827	1.5
89.02448	27.5
92.10123	4.0
93.03484	2.0
95.01371	1.3
96.76012	1.2
97.02991	2.4
97.06561	9.6
99.00883	13.8
99.60331	1.3
101.02443	34.4
111.00836	3.6
111.04468	1.2
113.02438	17.1
115.04008	1.8
116.92897	4.6
119.03454	3.0
125.02452	5.1
131.03442	1.6
135.04532	2.7
137.02464	1.4
138.01993	2.9
143.03508	1.6
149.04588	2.9
154.96919	1.4
159.02985	1.2
161.02437	1.5
161.04593	1.6
173.04503	1.9
174.66028	1.4
182.90231	1.3
183.28769	1.2
191.05629	12.6
215.11981	1.4
243.19710	2.2
246.01920	1.3
251.29599	1.6
279.16467	1.7
301.03476	1.3
521.33795	10.2
593.31329	2.5
653.37628	100.0
654.37854	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	653.3767
Annotation	all-trans-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
55.01891	4.3
57.03461	4.1
58.00600	1.6
59.01387	40.3
61.98855	0.7
65.69074	0.6
69.03472	3.0
71.01383	46.6
72.99307	1.4
73.02950	16.7
75.00887	1.6
83.01392	7.9
85.02963	16.7
85.06603	1.1
87.00880	3.9
87.04522	0.8
89.02442	27.5
95.01424	2.9
97.02963	3.1
97.06586	5.4
99.00877	12.6
99.39950	0.7
101.02448	28.6
111.00909	1.6
113.02453	13.1
115.04005	1.3
119.03517	3.8
122.90122	0.8
125.02448	5.5
129.01974	0.7
131.03506	4.0
135.04578	1.0
141.01935	0.8
143.03531	1.4
143.10849	1.0
149.04588	1.2
159.03043	1.1
161.04559	3.1
170.09625	0.6
179.03488	1.0
191.05696	4.9
205.08530	0.7
215.95937	0.7
227.53650	0.8
233.06694	1.0
243.19637	4.3
281.09207	0.7
359.28098	4.3
405.25085	0.8
408.36621	0.7
436.77505	0.7
436.84149	0.8
521.33746	10.1
537.29187	1.0
635.36664	1.0
653.37708	100.0
654.38348	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	653.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.7
57.03453	5.4
58.00600	0.7
59.01389	37.0
61.98839	2.7
69.03481	0.8
69.89905	0.6
70.53016	0.5
71.01389	39.5
71.04996	0.7
71.48165	0.6
72.99315	1.0
73.02954	18.7
75.00914	0.8
81.03459	0.8
83.01408	7.9
85.02969	20.1
85.06615	0.7
86.00102	0.9
87.00898	3.2
87.04551	2.7
89.02457	21.0
93.03428	0.7
95.01385	3.7
96.95988	0.6
97.02941	3.7
97.06603	7.7
97.54926	0.6
99.00876	11.3
99.92575	0.7
101.02453	34.1
111.00883	2.6
113.02450	15.6
115.04011	1.6
116.92841	4.5
119.03522	3.2
125.02450	3.7
125.09703	0.8
131.03510	3.2
137.09723	2.9
141.01868	0.7
143.03552	0.9
145.02974	0.7
149.04608	2.7
159.03067	1.3
160.89842	0.6
161.02455	2.4
161.04552	9.7
185.15456	3.5
191.05666	3.4
233.06586	0.9
251.07791	0.8
299.01828	0.7
344.37283	0.7
347.20798	6.6
359.28107	3.1
479.25226	4.8
521.33124	7.5
627.58783	0.8
635.36768	1.1
653.37720	100.0
654.37738	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	653.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50741	0.4
52.53637	0.4
53.68716	0.4
54.54523	0.4
59.83119	0.5
64.34603	0.5
71.55204	0.4
81.63341	0.4
84.09726	0.5
117.03459	2.7
119.05030	81.4
132.05804	2.9
145.02972	6.3
163.04022	97.5
407.33533	0.6
432.58932	0.6
441.94415	0.6
453.33875	26.7
617.38586	100.0
618.38629	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	653.3737
Annotation	all-trans-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
54.82545	0.8
63.56495	0.9
71.01388	0.9
79.95747	12.9
80.96526	6.2
87.00867	1.1
96.96012	83.7
101.02460	2.4
113.02498	1.2
138.97063	5.0
169.99979	1.0
178.12697	1.3
190.33698	1.0
241.00250	10.8
295.26480	1.0
305.58212	1.0
310.72162	1.0
489.78366	1.2
653.37451	100.0
654.38049	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	653.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67680	0.7
51.19771	0.6
51.23962	0.7
55.56242	0.7
60.81984	0.8
68.28296	0.7
78.95903	100.0
106.74424	0.8
121.25132	0.8
136.49829	0.9
149.00084	7.6
205.16029	3.5
285.12625	4.0
355.16907	3.3
385.17642	1.3
417.12357	0.8
447.13522	7.1
553.98175	1.0
653.30255	58.5
654.30609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36860	1.1
59.01386	100.0
61.66529	1.4
64.05943	1.5
71.01394	9.5
71.64684	1.3
73.02960	2.7
75.13219	1.4
83.01399	1.4
85.02962	7.1
89.02478	2.1
89.79086	1.5
101.02438	12.3
112.76192	1.4
113.02463	3.1
125.72822	1.5
128.44540	1.4
162.52765	1.8
167.31390	1.7
213.82724	1.4
344.97299	1.6
353.21136	11.3
499.23761	1.6
515.26538	56.7
533.27429	19.2
575.28833	2.1
593.29791	15.3
653.37610	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	653.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02884	2.2
58.00607	4.0
59.01389	89.3
60.67375	2.4
69.03472	6.3
71.01385	93.2
71.01782	4.3
72.01817	2.5
72.99329	4.2
73.02970	17.2
73.43428	2.2
75.00880	3.6
82.95443	4.8
83.01408	12.1
85.02972	16.7
89.02448	100.0
93.03497	5.0
96.96027	5.9
97.02967	13.1
99.00890	16.1
99.04526	3.3
101.02464	19.0
109.02961	50.0
111.00922	3.3
111.04573	3.1
111.21875	3.2
113.02470	5.6
115.00414	4.2
115.04010	7.0
116.92907	12.1
117.03445	2.7
120.99688	5.0
121.02973	5.7
123.04523	3.0
125.02446	43.4
131.03502	5.9
133.01492	3.9
133.02898	4.5
134.03728	3.8
135.04524	18.2
137.02531	3.8
145.02971	2.9
146.39090	2.7
147.04558	3.7
149.04607	12.5
153.01968	47.8
155.10844	5.1
159.04590	5.2
160.05301	21.0
161.02454	15.4
161.06084	6.6
163.04034	3.3
170.13145	2.9
175.07645	7.1
177.05647	5.1
178.06374	4.7
179.03503	11.0
191.05646	36.7
193.05183	4.5
203.83224	3.1
209.11748	3.4
233.06683	28.8
243.86835	3.3
290.36618	3.2
293.08807	53.5
315.07449	5.4
319.14120	5.3
329.14020	17.5
329.21570	3.4
550.53424	4.0
618.11542	3.4
653.25403	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	653.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.9
67.01894	0.3
69.40855	0.2
71.01402	0.8
72.97578	0.1
81.78658	0.2
85.02970	6.7
85.03464	0.3
87.00881	1.6
93.03462	5.6
93.04016	0.3
96.96039	0.2
99.04488	0.2
109.02959	0.6
111.04547	1.1
116.92805	0.2
127.04048	2.1
131.61880	0.2
133.02957	1.3
135.04527	1.2
137.02452	4.3
161.02461	2.1
171.02956	0.2
173.04623	1.2
179.03545	0.7
191.05653	100.0
192.05994	1.0
208.05377	0.2
281.89856	0.2
297.43539	0.2
307.54169	0.2
353.08847	9.8
403.78262	0.2
433.29059	0.2
452.22998	0.2
478.97025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09497	0.1
53.23956	0.1
59.01387	0.8
59.89871	0.1
61.36519	0.1
71.01383	18.3
89.02444	0.7
89.98174	0.1
92.65776	0.2
93.03442	1.2
96.95988	0.2
101.02463	0.3
110.89605	0.1
115.00375	8.3
116.59880	0.2
121.02953	100.0
122.03310	0.3
125.02419	0.3
133.03001	0.2
135.04494	0.7
137.02443	0.4
161.02431	0.8
173.66263	0.2
174.31870	0.2
177.05620	1.1
179.03546	0.2
191.05669	0.7
237.04076	9.6
311.07608	0.3
313.10941	0.2
653.26752	0.4
665.58691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03247	1.2
56.66010	1.1
57.03469	1.3
58.00613	1.1
59.01394	88.2
61.98848	3.0
64.34647	1.0
69.03470	1.9
71.01395	55.8
72.15797	1.2
72.99332	3.0
73.02957	23.9
83.01416	1.7
83.05025	1.9
85.02968	10.0
87.00903	2.4
87.04533	1.4
89.02454	100.0
92.65536	1.5
93.03464	5.0
95.01392	2.1
96.96014	3.3
97.02940	1.6
97.06588	1.2
99.00893	36.8
101.02448	33.0
106.89395	1.3
108.02194	38.9
109.02975	12.8
113.02466	9.5
114.36429	1.3
116.92883	5.6
117.03461	2.0
119.03500	2.3
120.37878	1.3
121.02945	2.7
122.03782	1.5
125.02451	5.2
127.44611	1.2
131.03514	10.6
132.02164	6.6
133.02974	6.1
134.02838	2.1
134.03760	28.8
135.04526	2.9
137.02467	5.2
137.09692	1.7
138.61455	1.5
149.04579	32.1
149.05885	2.1
150.03317	1.8
152.01172	50.4
153.01955	8.9
153.05542	7.9
155.10806	16.7
160.01685	27.0
161.02533	14.5
161.04536	2.9
165.60681	1.3
173.04552	1.4
175.04019	19.9
179.03450	1.8
188.30260	1.5
190.06444	2.0
191.05641	22.2
191.07147	2.3
193.05081	19.1
195.06564	2.0
199.09814	11.7
213.11281	2.3
217.05061	1.5
238.70541	1.4
241.10887	3.2
251.07764	2.7
293.08591	1.8
296.10571	1.6
319.79626	1.5
357.12668	1.5
491.21194	10.3
499.14673	1.9
653.17188	32.5
653.25226	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52927	0.3
53.26204	0.4
55.33755	0.4
57.44103	0.3
59.01397	0.5
92.10757	0.8
93.03491	0.9
107.05077	0.5
119.05083	0.4
121.02968	7.2
123.04549	2.5
134.03714	1.9
135.04533	100.0
139.04034	1.8
149.02429	6.3
153.05600	6.2
167.03488	2.7
179.03403	0.4
197.04561	4.7
307.51276	0.4
441.33658	0.5
453.33829	5.7
502.78040	0.5
621.38434	0.5
624.92242	0.4
651.39069	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69668	1.3
59.01390	1.2
72.99307	14.8
75.00898	1.5
79.05550	1.6
92.10779	1.3
116.92905	1.2
121.06595	19.3
123.04527	6.6
126.22015	1.3
135.04529	53.9
136.68774	1.3
137.02448	100.0
179.03557	12.0
197.04568	15.5
218.82333	1.1
231.57698	1.3
325.18112	28.5
326.80997	1.2
407.32849	1.2
453.33823	6.2
501.35468	1.6
569.34320	1.7
651.39166	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01387	22.2
60.01717	2.6
61.00274	0.2
61.01818	2.2
61.98835	100.0
67.87128	0.2
73.02960	0.2
75.00870	2.7
85.02959	1.3
86.03307	0.2
99.92594	1.0
116.92860	11.1
117.01958	0.5
117.92879	3.7
142.87657	0.2
186.86932	0.2
195.61949	0.2
313.98886	0.2
389.49039	0.2
462.95636	0.2
513.27344	0.3
530.28937	0.4
531.28723	0.8
532.29425	1.9
622.71320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
60.01732	0.2
61.98843	100.0
66.86229	0.2
73.02958	1.8
74.03284	0.3
114.91558	0.2
131.16841	0.2
135.04474	0.2
147.64468	0.2
168.04305	0.2
190.41183	0.2
190.96402	0.2
283.73157	0.3
499.30197	0.4
500.30261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70058	0.6
61.98836	100.0
66.16803	0.9
73.08750	0.7
78.95902	15.2
104.99731	0.8
127.03922	0.8
133.02113	0.8
149.00179	0.9
184.23438	1.0
249.98616	1.1
300.00027	1.0
447.13977	1.4
653.30414	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	651.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72479	0.3
54.67229	0.3
59.01372	0.4
72.99310	2.1
73.02950	2.2
75.00871	100.0
102.45506	0.3
142.87160	0.3
165.55681	0.3
208.87698	0.4
212.02435	0.3
226.07468	0.3
258.77017	0.3
325.51022	0.4
498.29507	0.5
499.29330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
56.12312	0.8
57.03463	4.2
58.00596	1.2
59.01385	64.2
67.53880	0.9
69.03466	1.8
71.01379	53.6
72.99316	4.3
73.02946	15.5
75.00877	1.8
79.72064	0.9
83.01402	5.0
85.02953	14.1
87.00883	4.9
87.04530	1.5
89.02441	52.9
95.01364	1.3
96.96013	1.5
97.02975	2.5
97.72183	1.1
99.00876	15.6
101.02444	32.2
113.02451	13.1
115.04026	1.6
119.03470	5.3
125.02399	6.9
131.03500	4.3
135.04497	2.1
145.02940	2.5
149.04593	7.8
149.05942	1.1
157.05016	1.1
160.04028	4.6
161.04570	4.5
175.03938	1.2
178.99736	1.0
191.05582	5.4
224.06003	0.9
233.06734	2.4
255.10307	1.3
293.09140	1.4
300.02625	1.0
519.31952	16.5
591.30188	2.3
633.34869	1.6
651.18616	2.9
651.36090	100.0
652.35828	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	651.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99546	1.7
59.01384	100.0
61.98836	3.8
71.01380	3.9
73.02946	3.5
76.49173	1.8
76.58012	2.1
77.33888	2.2
85.02959	9.4
87.40468	1.8
89.02441	4.5
95.82285	1.8
99.00853	2.6
101.02476	5.0
108.85766	2.3
113.02452	3.2
152.20976	2.3
208.41077	2.1
272.90811	2.2
451.28738	3.3
459.94418	2.7
495.27444	8.2
513.28699	65.8
523.92047	2.1
531.29578	11.8
642.10944	3.3
651.36353	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	651.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	4.6
59.01389	100.0
61.98840	10.2
71.01398	3.7
73.02958	2.2
85.02969	8.8
89.02451	3.1
99.92595	2.2
116.92870	56.0
117.92872	8.5
118.92695	3.7
139.94504	2.3
191.05750	2.7
206.14540	2.2
213.09283	2.9
513.28748	37.0
531.29425	5.1
591.30792	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	651.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41099	0.2
58.75440	0.3
59.01387	100.0
65.65292	0.3
83.01410	0.3
83.61835	0.3
85.02950	1.2
87.26997	0.3
113.94626	0.3
127.03996	0.6
130.36124	0.3
138.64075	0.3
145.05099	0.4
192.77330	0.3
225.09244	1.4
308.59518	0.4
321.18741	0.4
337.18243	0.6
343.40488	0.3
353.21280	0.5
372.65671	0.3
497.25681	1.3
513.28662	37.7
514.29077	2.1
531.29773	5.0
591.32135	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	651.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.4
55.88540	0.6
57.03178	0.8
57.03450	17.6
59.01387	52.8
67.01904	4.7
68.99811	0.7
69.03465	1.2
71.01399	1.0
71.05050	0.6
75.87923	0.7
81.03477	4.7
83.01392	10.7
83.05040	9.9
84.02162	9.6
85.02956	100.0
87.05725	0.6
88.98783	1.0
91.15247	0.7
93.00770	0.7
93.03459	2.8
95.01403	4.7
95.05037	1.2
97.02952	8.0
109.02965	1.5
109.06596	1.2
111.04510	6.3
111.43719	0.6
117.07081	0.9
119.04992	0.9
121.03017	0.8
121.59624	0.6
123.04543	1.1
129.05566	0.9
135.08167	1.0
137.02437	1.0
137.06050	1.7
138.03209	1.0
139.03990	6.2
142.53491	0.7
147.08192	1.3
149.06035	1.0
149.09692	0.8
155.48100	0.7
161.06067	8.7
163.04053	1.1
164.04785	3.1
175.07639	3.1
247.16963	4.0
265.18146	1.3
327.19711	1.2
333.18805	1.7
351.19733	7.9
369.20886	0.8
409.26031	4.3
435.27667	1.1
469.29761	1.6
489.28937	1.4
495.27704	1.5
503.30249	1.7
505.31732	4.1
511.30865	2.7
513.28650	37.3
529.31793	2.8
531.29797	16.9
547.32465	17.3
548.32495	0.8
549.30817	30.1
555.29755	4.4
573.30859	19.3
591.31866	91.2
592.32312	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	651.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	3.0
55.95957	0.6
57.03455	16.7
59.01392	52.4
59.77507	0.7
64.34127	0.9
67.01910	0.9
68.11197	0.7
68.99809	1.2
71.01393	0.9
81.03455	1.7
83.01408	6.6
83.05037	6.0
84.02170	7.7
85.02959	100.0
93.03487	1.3
95.01382	4.7
95.73229	0.8
97.02943	4.3
111.04551	4.3
117.07118	1.7
121.02894	0.9
123.08173	1.0
125.46613	0.8
137.06099	1.7
139.04002	1.3
147.08182	1.2
149.09703	1.1
155.50410	0.9
161.06108	8.1
164.04784	3.1
173.09755	0.7
175.07698	4.2
201.05522	0.8
213.59042	0.7
223.81458	0.9
224.89824	0.7
227.04523	0.8
247.17036	1.3
325.75653	0.8
351.19644	5.0
394.76508	0.8
409.25906	1.0
463.90399	0.8
469.29794	1.0
487.26724	1.2
489.28586	1.1
495.27454	1.0
505.31531	4.7
511.31137	0.9
513.28705	30.1
514.29132	1.2
528.01471	0.8
529.32294	1.5
531.29779	15.2
547.33417	12.2
549.30817	26.3
555.29578	3.1
573.30975	13.9
591.31879	75.5
592.31915	1.7
597.86145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.8
57.03448	12.0
59.01389	100.0
60.40886	0.6
61.98844	1.3
63.57609	0.7
65.42649	0.6
66.23502	0.7
67.01913	1.0
71.01386	1.7
71.78064	0.6
73.02943	1.4
81.03488	3.2
83.01405	5.8
83.05042	7.1
83.79338	0.7
84.02185	6.4
85.02966	65.0
88.71143	0.8
89.02486	1.2
93.03488	1.0
95.01409	6.1
97.02973	1.0
99.92590	1.3
101.80804	0.8
109.02959	1.6
109.06572	1.1
111.04536	5.2
112.51923	0.8
116.92862	15.1
117.92902	3.4
118.02050	0.7
118.92712	3.9
121.02959	23.9
123.04510	0.9
137.02429	1.0
139.04042	4.0
151.48482	0.9
163.04117	1.2
164.04781	1.0
199.07672	3.0
241.08704	1.8
245.15764	0.9
247.17125	3.8
265.18118	4.5
351.19724	12.4
409.25977	10.4
487.27002	1.4
495.27802	3.9
505.27914	1.7
511.30942	1.2
513.28619	31.0
529.31714	5.2
531.29791	1.0
547.29633	17.9
549.30591	3.1
555.29712	8.0
573.30786	18.1
591.31848	61.6
592.32684	1.0
651.32068	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	651.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78925	0.1
58.20592	0.1
59.01397	1.7
73.02963	1.1
75.00877	0.2
75.41457	0.1
77.11162	0.2
85.02962	0.2
89.02465	0.2
99.00880	1.1
99.92592	11.0
101.02414	0.3
107.63337	0.2
114.93415	0.2
115.03998	0.2
116.07199	0.2
116.92869	100.0
117.01967	1.9
117.05584	0.6
117.92877	0.3
158.31454	0.2
369.61996	0.2
565.52045	0.2
587.99060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04539	0.2
59.01392	2.0
64.34447	0.2
67.46204	0.2
71.01419	0.3
71.05032	0.2
73.02943	1.4
75.00877	0.3
97.19006	0.2
99.00898	0.8
99.92583	10.4
112.46951	0.2
114.93468	0.3
116.92866	100.0
116.97242	1.2
117.01952	2.4
117.05553	0.3
117.92861	0.9
122.85220	0.2
132.62070	0.2
166.41583	0.2
172.79395	0.2
261.35620	0.2
282.65857	0.2
462.22015	0.2
465.29956	0.2
577.64783	0.2
591.32135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
95.44365	3.0
103.96166	3.4
106.04265	3.3
107.05043	15.3
114.38121	3.9
117.03478	7.4
119.05057	12.4
121.02987	6.7
123.04520	5.7
133.02951	5.7
134.03702	35.1
135.04524	100.0
160.84212	7.0
162.83934	17.5
163.04054	11.7
179.03516	48.0
248.71182	3.0
469.33374	31.7
487.34436	14.3
649.37640	4.6
650.17944	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	651.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
56.36879	0.8
58.00598	3.6
59.01388	89.4
69.03460	12.7
71.01386	92.8
72.99311	4.2
73.02943	15.2
75.00876	4.6
81.03470	5.3
82.20177	0.9
83.01404	7.1
85.02968	12.8
87.00912	4.2
89.02447	100.0
93.03477	1.2
95.01395	3.6
96.96001	1.7
97.02951	22.0
99.00893	22.6
99.04525	3.8
101.02463	16.4
109.02942	1.8
109.75720	0.9
111.00901	2.1
113.02492	7.1
115.04025	15.0
116.92876	1.8
119.03554	1.3
121.02940	1.8
122.03789	1.3
125.02448	48.9
127.04044	1.4
131.03514	9.0
133.03058	0.9
134.03726	1.1
135.04526	5.0
136.01675	47.7
136.02744	1.6
137.02470	0.9
142.20287	0.9
143.03505	2.1
145.02917	1.4
149.04631	10.9
151.04027	47.2
156.09430	0.8
160.01604	1.6
175.03957	1.7
177.05544	2.1
179.03545	2.0
184.29700	0.9
191.05644	11.9
211.75757	1.0
221.04567	1.2
233.06683	42.8
242.20638	1.0
252.63295	1.0
275.27795	1.2
293.08841	53.9
324.50623	1.0
331.83023	0.9
342.11227	1.5
357.13525	6.6
407.50064	0.9
422.64709	1.2
651.23993	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	649.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98846	0.6
71.01395	2.3
73.02966	2.5
81.03465	0.8
83.01416	0.5
83.05013	0.7
85.02939	4.2
89.02450	0.6
99.00903	0.5
99.04535	0.9
99.92589	8.7
109.02988	1.0
116.92861	86.8
117.92869	2.2
121.02987	1.3
127.04063	1.0
198.87683	0.6
201.93262	0.6
230.31418	0.6
258.06616	0.5
287.51974	0.6
290.51401	0.7
351.19403	0.7
511.26895	4.0
529.28156	39.3
589.30206	3.1
630.05481	0.7
649.34540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00975	2.3
58.23677	1.9
59.01391	100.0
63.97342	2.1
70.84558	2.0
71.68153	1.8
78.76743	1.9
85.02993	4.2
87.13586	2.0
126.05332	2.3
132.46048	2.4
225.22226	2.0
336.66229	2.4
511.27051	10.0
529.28406	13.7
575.23889	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	649.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13864	0.9
59.01385	100.0
59.59613	0.9
61.98837	6.6
69.30987	1.0
71.01384	8.9
73.02972	2.1
79.77353	1.2
85.02976	4.7
89.02455	2.7
96.96011	1.5
99.00909	2.1
101.02477	5.6
113.02493	2.3
116.92882	26.1
123.17577	1.1
158.17560	1.3
160.94756	1.2
215.09381	1.3
236.80437	1.3
261.38370	1.1
263.10913	1.6
495.24103	7.3
496.24524	7.8
511.20541	1.9
511.27145	51.1
529.28314	16.1
536.37311	1.1
547.58575	1.2
589.31763	5.4
611.34009	2.6
649.32813	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	649.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
59.01385	100.0
59.94225	0.6
68.99581	3.2
71.64117	0.6
73.18437	0.7
77.12814	0.7
85.02952	8.7
98.89420	0.8
112.98554	1.6
113.43964	0.8
114.93411	1.4
134.57251	0.9
149.96454	0.8
258.27341	0.8
266.85953	0.8
394.50882	0.9
511.26932	3.1
529.28290	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	649.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96770	1.1
54.53876	1.2
55.67823	1.3
59.01385	100.0
60.06207	1.2
73.02966	1.3
73.76974	1.5
75.47050	1.3
79.11980	1.2
89.02441	1.7
99.92606	1.5
104.22202	1.3
116.16959	1.6
116.92865	21.3
126.95659	1.3
135.04474	1.2
193.55829	1.5
260.30942	1.3
278.09015	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	649.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
57.23204	0.2
57.74812	0.1
59.01385	100.0
61.98843	0.2
71.01379	0.2
73.02943	0.2
83.05057	0.2
84.02177	0.4
85.02953	4.3
92.10795	0.5
111.04453	0.2
114.93387	0.3
116.92867	3.1
120.24360	0.2
121.02959	0.4
136.12250	0.2
197.06177	0.2
198.08157	0.2
205.59035	0.2
211.07674	0.8
212.08606	0.2
213.09160	0.7
215.07236	0.2
237.45319	0.2
244.07347	0.7
253.12361	0.3
318.70090	0.2
321.18573	0.2
349.17819	0.4
493.26004	0.3
499.37451	0.2
511.27081	9.6
529.28174	13.0
571.29230	0.2
589.30890	0.8
649.32861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52408	0.1
52.38440	0.1
52.71606	0.1
59.01384	0.7
68.99590	0.1
71.01389	0.3
73.02961	0.5
80.03944	0.1
86.63419	0.1
87.00898	0.1
89.02467	0.2
99.00889	0.5
99.92590	9.7
101.02431	0.2
110.44256	0.1
113.02454	0.1
114.93404	0.6
116.92867	100.0
117.01940	0.8
117.05622	0.1
117.92891	0.8
174.66531	0.1
175.81519	0.1
416.97827	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	649.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23725	0.3
53.66651	0.4
55.01883	0.6
57.03453	0.5
58.00603	1.9
58.49125	0.4
59.01384	74.6
64.98409	0.4
65.47457	0.4
71.01379	30.4
72.99311	4.0
73.02954	0.9
74.39679	0.4
75.00848	0.5
78.18834	0.5
78.70023	0.5
83.01388	1.7
85.02946	8.9
87.00878	8.2
89.02440	36.0
95.01389	3.4
96.96022	3.7
99.08151	0.5
101.02442	21.9
101.64853	0.4
103.00359	3.4
113.02454	12.7
114.93394	0.8
117.03455	0.5
119.03519	15.0
119.05014	16.0
121.02940	2.5
121.06804	0.4
130.99858	2.0
131.03528	0.6
133.02948	0.5
135.04503	5.8
140.67358	0.4
143.07210	0.5
145.03030	0.6
149.00896	7.4
149.04523	0.9
161.02446	0.8
161.04588	0.8
161.08191	0.7
163.02652	0.6
163.03999	16.1
173.04564	1.0
179.03465	1.9
179.05582	0.9
191.05603	2.4
253.03513	1.1
295.04645	4.2
323.13516	100.0
324.13730	3.4
325.14117	1.1
487.14600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17799	0.6
59.01396	8.0
61.98842	1.6
71.01414	5.5
73.02976	1.0
85.02971	1.9
87.00881	1.2
88.98777	1.0
89.02467	4.1
93.03465	3.6
94.86668	0.8
96.96014	6.8
101.02485	1.9
102.73170	0.8
109.02966	8.0
111.00909	3.6
113.02446	1.2
116.92895	1.8
119.05009	10.3
121.02972	1.5
121.06630	1.0
125.15025	0.8
131.05046	1.5
132.02196	1.1
133.02969	8.1
134.03769	6.0
135.04543	27.6
137.02452	1.1
145.03001	1.9
147.04575	1.4
149.02568	0.8
149.06116	23.4
150.03244	1.9
159.04567	3.6
160.01706	8.8
161.02472	24.5
162.03265	5.5
163.04039	6.1
164.04849	1.9
165.05577	3.4
173.04552	1.1
175.04041	14.5
176.04785	1.0
177.05595	100.0
179.03532	11.2
189.05574	1.3
191.05658	11.8
192.04388	1.2
193.05077	1.3
195.06610	1.7
201.05649	3.5
203.03439	1.0
207.06641	1.7
221.04590	24.4
249.07687	3.5
267.08774	1.3
293.07025	1.2
311.07849	22.0
323.07791	3.6
337.09369	12.3
377.59692	0.9
487.12546	9.7
516.26270	1.0
551.86096	0.9
559.14539	9.9
626.85059	1.2
649.17273	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	649.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56668	1.3
58.00618	1.7
59.01395	100.0
65.01994	1.0
71.01411	2.2
72.99325	6.8
73.02967	1.5
85.02979	4.8
87.00883	50.6
89.02465	2.1
89.78922	1.1
93.03476	2.6
96.95988	8.4
101.02482	1.8
103.00380	43.7
111.04543	1.3
112.59618	1.2
119.05048	5.0
121.02956	97.5
130.99861	36.4
135.04555	2.6
137.56490	1.1
145.02956	5.4
161.02487	1.8
163.04074	2.3
169.66994	1.3
175.04135	1.6
191.05634	9.8
238.76158	1.4
253.03546	59.0
254.11829	1.5
332.77405	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	649.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28820	1.0
57.03456	1.1
59.01390	18.8
61.98836	2.3
66.10017	1.0
71.01373	13.6
73.02973	5.1
75.00882	1.0
78.13766	0.9
83.01397	1.9
85.02970	6.8
87.00893	1.9
89.02428	13.7
93.03454	2.3
96.96007	11.1
99.00881	5.2
101.02430	7.8
107.05061	1.3
108.02164	1.1
109.02959	25.8
111.00904	5.5
113.02471	5.6
114.39269	1.1
119.03525	4.3
119.05037	2.6
121.02985	1.4
123.00954	1.2
125.02451	1.9
126.70730	1.1
132.02190	5.0
133.03001	6.5
134.03732	13.9
135.04538	48.6
137.79030	1.0
143.05057	7.3
145.03000	2.5
146.03630	1.2
147.04549	1.9
148.05275	1.3
149.04877	1.9
149.06096	45.5
151.04041	5.6
159.04527	6.6
160.01695	23.5
161.02475	15.6
161.04807	1.9
161.06104	28.2
162.03201	5.1
163.04042	2.0
164.04822	1.2
165.05582	5.2
171.04518	5.5
174.03255	8.6
175.04019	36.3
177.04051	2.1
177.05595	55.4
179.03482	15.1
183.63930	1.5
187.04007	1.6
188.04805	5.4
189.05598	100.0
191.03580	2.3
191.05640	7.7
193.05104	9.3
193.41991	1.5
201.05611	5.1
203.03532	1.5
207.06650	33.8
215.03650	1.2
219.06505	8.0
221.04572	33.2
221.06557	2.1
229.35457	1.2
231.06686	7.2
235.06244	3.9
239.05591	1.3
249.07768	8.3
251.05516	1.5
311.07709	19.9
323.08194	1.4
337.09393	24.3
369.09503	1.4
399.14612	14.5
400.14853	1.4
473.13474	1.1
473.28168	1.1
487.12158	3.6
526.02863	1.1
527.15503	1.5
559.14539	4.2
577.16376	2.2
597.40448	1.5
611.23096	2.0
649.17731	7.4
649.34552	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	649.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79552	3.4
57.03456	5.0
57.97800	4.2
59.01385	47.8
61.98841	7.6
71.01378	36.0
73.02944	15.1
85.02975	10.2
89.02467	26.5
93.03468	6.8
96.96017	59.2
99.00870	7.0
99.08174	24.8
101.02449	19.2
107.82547	4.6
109.02952	51.2
111.00927	9.2
113.02444	6.6
116.92849	6.2
120.99638	10.1
121.02958	4.7
122.06174	4.7
124.07741	3.8
127.00279	5.3
133.02943	17.9
134.03740	21.0
135.04523	100.0
137.02415	5.9
138.19707	3.7
145.02965	5.3
145.08694	50.3
149.06117	40.2
160.01698	23.4
161.02452	52.8
161.04578	4.2
161.06116	22.4
162.03325	6.6
163.04030	4.9
171.04486	4.9
173.04573	4.7
175.04018	51.9
177.05594	45.9
179.03516	23.5
182.02255	6.7
189.05653	31.7
191.05655	24.5
197.04630	15.0
207.06676	29.6
221.04602	68.9
231.06586	6.4
249.07581	5.7
250.64297	3.8
251.95818	4.4
263.05386	4.9
298.85065	4.6
311.07935	20.0
329.48776	4.0
335.12488	18.2
337.09348	21.7
487.12494	8.1
545.16736	9.6
559.14624	5.7
649.18030	22.8
649.34540	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	649.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77476	0.5
57.53014	0.4
59.01386	6.7
60.93222	0.5
61.98866	0.7
67.00838	0.6
71.01398	3.8
75.00877	0.5
85.02942	1.0
88.28250	0.5
89.02455	2.3
92.02489	0.5
93.03474	2.3
96.96035	4.0
99.00900	2.1
101.02479	2.4
107.05026	0.6
108.02161	0.7
109.02969	13.0
111.00921	3.2
112.51832	0.6
113.02454	0.8
116.92872	0.9
117.03462	0.9
119.03581	0.5
119.05055	2.5
121.02989	1.3
123.04565	0.7
124.01672	0.7
131.05031	1.4
132.02164	3.2
133.02969	2.5
134.03761	11.4
135.04535	30.3
137.02455	2.2
137.06126	2.6
139.04033	1.3
145.03003	2.7
147.04541	4.4
148.05313	2.3
149.02469	2.9
149.06088	23.5
150.03253	2.9
151.04025	1.0
159.04536	5.1
160.01660	19.9
161.02496	7.8
161.06100	0.6
162.03244	10.7
163.03993	5.9
164.04810	3.4
165.01944	2.3
165.05579	7.7
175.04027	24.2
176.04749	1.1
177.05586	100.0
179.03502	10.7
180.04279	1.0
181.05074	1.2
184.60373	0.6
189.05617	2.4
190.02834	1.2
191.05644	4.2
193.05051	8.1
194.05968	0.8
195.06653	2.9
203.03636	2.4
207.06725	2.5
221.04591	38.0
231.06548	0.9
233.04680	1.0
239.05698	0.7
249.07704	3.8
267.08853	4.9
267.11356	0.8
281.06726	0.9
285.03967	1.0
293.06680	2.4
311.07776	32.5
337.09366	25.5
398.14111	0.7
473.13306	0.8
487.12372	1.1
559.14752	13.0
589.15710	2.4
593.15167	0.9
631.16742	1.1
649.17859	9.6
673.29059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.6
59.01388	8.2
61.98829	1.1
64.34894	0.9
69.03460	1.1
71.01383	7.5
73.02978	1.7
74.78454	0.9
83.01420	1.3
85.02948	1.6
89.02460	4.2
92.10756	2.1
96.96031	1.4
97.02984	1.0
99.00901	1.5
99.08157	45.2
101.02466	7.4
109.02970	16.8
111.00910	1.7
114.61221	1.0
116.92862	1.0
123.00891	1.7
125.02426	1.6
132.02164	1.7
133.02942	1.4
134.03751	10.3
135.04532	51.0
137.02417	4.2
143.05095	2.1
144.06635	1.2
145.02927	1.1
145.05080	1.6
145.08725	100.0
147.63612	1.0
148.05345	1.7
149.04807	1.3
149.06084	26.5
151.04042	1.4
159.04482	3.5
160.01677	14.8
161.02461	4.6
161.06084	14.4
162.89288	1.2
164.04849	1.2
165.01949	1.9
165.05542	1.6
166.99780	1.2
171.04480	3.5
173.06012	1.6
174.03256	2.3
175.02611	1.2
175.04036	24.6
177.01939	1.1
177.05539	10.4
178.06114	1.0
179.03487	7.5
182.02188	6.1
189.05618	28.7
191.03589	1.5
191.05605	3.7
193.05072	7.0
195.06708	1.0
197.04590	8.5
202.57889	1.0
207.06651	29.8
221.04587	14.4
231.06668	4.6
235.06198	1.8
239.05617	1.6
249.07806	2.3
272.80722	1.1
273.12387	1.0
311.07727	4.4
337.09406	15.4
423.55194	0.9
473.13724	1.3
503.25104	5.1
545.16943	8.1
561.27295	1.3
565.38660	1.1
605.26544	1.5
649.34222	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	647.3963
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.33269	0.4
83.18219	0.4
89.03986	1.8
106.04250	0.5
117.03466	5.4
132.02248	1.0
133.02960	2.4
134.03751	100.0
135.04492	0.6
137.02458	3.0
147.04536	3.5
149.06100	7.5
151.07713	0.4
160.01672	5.8
161.02496	2.5
162.06895	0.9
175.04028	2.9
178.02762	5.4
193.05083	71.0
236.85370	0.5
308.83499	0.5
371.84778	0.4
453.33813	23.0
454.33878	0.5
647.39667	67.9
648.40094	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	647.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99969	0.9
55.67486	0.8
90.57867	1.0
117.03474	6.4
119.05052	6.7
133.02950	1.7
134.03746	100.0
137.02515	1.9
147.04486	3.9
149.06100	9.2
160.01642	4.5
161.02484	4.0
163.04071	2.3
178.02687	6.0
193.03299	2.3
193.05075	70.0
299.40567	1.2
332.17972	1.1
351.72919	1.2
380.25421	1.3
453.33768	28.0
548.99255	1.5
617.39008	3.6
647.39673	65.0
648.40198	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	648.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04353	0.1
59.01394	1.9
59.59472	0.1
60.01735	0.2
61.98840	100.0
69.21439	0.2
69.25314	0.2
71.01380	1.6
72.01720	0.2
72.61642	0.1
73.02961	0.8
80.11761	0.1
82.86430	0.1
83.01384	0.4
85.02965	0.8
89.02473	0.6
90.00050	0.1
90.02794	0.1
95.01418	0.2
96.54101	0.2
99.00876	0.2
101.02450	1.6
102.02794	0.4
112.67094	0.2
113.02439	0.7
142.43930	0.2
149.07620	0.2
161.04524	0.2
163.47919	0.2
164.08463	0.2
176.55632	0.2
292.18591	0.4
293.18735	0.2
385.45993	0.2
426.23737	0.3
586.28442	0.4
587.27594	1.1
588.28680	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	647.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.3
57.03461	3.1
59.01388	55.7
61.98826	20.3
64.09362	2.8
71.01379	42.6
72.99291	2.8
73.02962	19.1
80.33830	2.5
83.01383	3.4
85.02962	6.8
87.00888	3.2
89.02448	55.6
91.22739	2.3
93.03471	3.5
96.96012	22.3
98.95578	4.1
99.00889	22.1
101.02455	31.3
113.02461	16.3
116.92862	15.9
119.03559	3.0
125.02435	3.0
131.03510	5.3
148.14215	2.8
149.04538	22.9
161.04630	3.2
173.04498	4.4
175.83200	3.3
179.82927	2.8
191.05652	14.9
224.50203	3.5
246.23195	2.8
578.44427	3.1
587.30780	14.2
611.36713	100.0
612.37219	4.4
647.34186	81.8
676.99884	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	647.3217
Annotation	8,8a-Dihydro-8-hydroxygambogenic acid
Peak:m/z	Relative Intensity
55.01917	1.3
55.88254	1.1
59.01395	14.0
61.98840	1.8
63.84773	1.1
67.26664	1.1
68.99571	4.6
69.03483	2.0
70.72472	1.0
71.01393	18.6
71.05032	2.9
73.02963	6.3
83.01395	2.1
85.02985	6.6
89.02466	2.6
94.19392	1.1
96.96006	11.8
99.00880	4.7
99.92592	2.0
101.02435	17.3
101.56339	1.2
112.98581	2.1
113.02459	5.3
113.83381	1.2
116.92876	19.1
121.02985	2.3
139.26819	1.0
167.50496	1.1
176.21843	1.2
191.05539	1.8
221.08388	9.7
365.14709	1.9
389.27066	1.4
441.33734	2.0
464.55994	1.5
479.30469	1.9
574.42041	1.5
604.62054	1.5
611.34534	53.2
647.32202	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	647.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08561	0.7
55.76360	0.7
59.01380	8.6
61.98843	3.4
66.47078	0.8
68.89694	0.6
68.99584	1.9
71.01401	4.8
71.54457	0.7
73.02945	1.2
75.10091	0.8
79.16206	0.7
85.02962	3.8
86.75367	0.8
89.02484	4.4
90.28864	0.7
99.00919	1.1
99.03466	0.8
99.92592	9.4
101.02467	4.0
105.70110	0.7
108.60779	0.9
112.98557	1.4
113.02438	1.4
114.40085	0.8
114.93441	3.8
115.04013	0.9
115.69675	0.7
116.92866	100.0
150.24973	0.8
191.05663	1.4
213.88341	0.8
574.60858	0.8
586.33423	1.2
587.33203	1.5
609.33496	1.0
611.34515	7.4
647.31934	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.4
61.98831	2.1
69.03458	26.1
71.01376	19.4
71.05018	56.4
73.02952	3.4
84.95139	7.5
85.02979	7.8
87.00898	2.5
89.02458	6.2
96.94831	1.4
96.95979	10.3
99.00945	2.1
99.04588	1.8
101.02470	9.9
107.05066	1.9
113.02490	3.0
115.04140	1.7
116.92865	7.9
121.02946	29.1
123.04542	2.1
124.12357	1.4
125.02483	2.2
128.46872	1.2
134.03719	15.3
134.56378	1.3
135.04514	2.8
137.59799	1.6
147.00908	3.2
147.08203	1.5
149.09726	9.2
165.01961	2.6
177.09192	13.6
191.05618	1.7
221.08220	100.0
251.11465	3.0
253.91075	1.5
280.57797	1.5
293.08725	1.5
317.21463	1.9
365.14587	21.9
383.15765	2.5
425.28598	1.7
439.21808	2.5
513.16260	37.5
646.27881	2.2
647.29993	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	647.3214
Annotation	8,8a-Dihydro-8-hydroxygambogenic acid
Peak:m/z	Relative Intensity
59.01390	8.8
68.99596	2.1
71.01387	7.1
73.02968	3.5
78.95911	3.6
85.02972	6.8
88.44551	1.7
89.02443	2.6
96.96012	100.0
96.96973	9.4
101.02439	8.4
113.02445	2.1
161.04601	2.7
169.02412	1.6
170.96001	1.5
174.99188	1.6
194.86678	1.7
210.18321	1.6
212.62608	1.5
222.24843	1.6
611.34399	29.3
647.32233	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3222
Annotation	8,8a-Dihydro-8-hydroxygambogenic acid
Peak:m/z	Relative Intensity
59.01390	42.2
60.88588	3.2
61.92596	3.1
61.98858	16.6
66.72707	3.5
68.60226	3.0
70.57204	3.4
71.01397	25.8
73.02965	5.9
82.95471	3.3
85.02978	5.9
89.02450	25.9
91.49869	3.5
96.96023	13.8
99.00889	7.9
101.02451	8.2
103.04050	3.3
113.02477	6.6
116.18948	3.8
116.92885	12.5
133.02934	4.1
149.04564	3.9
161.02481	4.6
179.18645	3.8
191.05672	14.4
309.41553	3.7
357.25134	3.5
587.30646	7.4
611.34711	43.6
647.32135	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	647.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04132	1.4
55.01901	1.7
55.30672	1.6
57.38593	1.6
59.01391	25.0
61.98828	4.5
68.99554	1.9
69.03461	30.9
69.15199	1.6
70.70348	1.7
71.01384	25.5
71.05022	57.4
73.02959	3.9
85.02955	9.4
87.00900	4.4
89.02451	13.2
93.03429	2.3
96.96012	10.5
97.02923	2.3
99.00892	7.2
101.02439	15.2
112.98561	2.7
113.02465	11.3
114.93404	29.1
115.00383	2.9
121.02969	43.1
123.04510	2.4
134.03735	10.0
147.00894	4.4
149.09731	10.7
151.04057	1.9
160.95097	2.2
161.04555	2.0
165.02036	3.1
177.09224	18.5
191.05618	2.6
221.08231	100.0
251.11343	3.6
259.35315	2.1
317.21341	4.5
329.06677	2.6
365.14633	29.2
513.16180	56.0
579.51434	2.2
627.60126	2.2
646.35663	2.5
647.28485	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	647.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95704	1.3
59.01396	1.5
64.37915	1.2
64.55020	1.1
67.01894	1.6
71.01405	1.4
85.02964	7.6
87.00884	2.2
89.02409	1.8
91.01627	1.2
93.03449	11.0
96.96015	10.5
114.38843	1.4
135.04526	28.4
135.71365	1.2
161.02443	6.5
173.04564	1.4
179.03500	20.5
181.05000	1.4
191.05634	100.0
202.49623	1.5
210.74364	1.4
211.06165	1.7
220.94478	1.3
483.04633	2.0
613.03442	1.7
647.18243	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50534	0.2
50.59647	0.2
52.22278	0.2
53.29202	0.2
55.87838	0.2
57.03478	0.2
59.01385	2.1
60.99308	0.2
67.01910	1.1
70.50886	0.2
71.01379	1.6
73.02960	0.2
73.88527	0.2
81.78525	0.2
83.05042	0.2
85.02957	6.7
85.99496	0.2
87.00868	2.2
89.02443	0.2
92.10735	0.4
93.03462	7.1
94.03831	0.2
96.96026	0.3
99.04526	0.3
100.00443	0.3
105.03450	0.3
107.05070	0.2
108.82278	0.2
109.02973	1.2
111.04523	2.2
113.02454	0.4
115.24703	0.2
119.05041	0.4
127.04020	2.2
131.07112	0.5
133.02983	1.5
134.03725	1.0
135.04538	17.2
137.02451	0.5
148.06328	0.5
149.00954	0.3
155.03520	1.0
161.02460	2.5
163.03998	0.4
171.03000	0.3
173.04567	16.7
179.03522	10.6
191.05647	100.0
192.05949	0.3
238.73488	0.2
293.12561	1.2
300.57330	0.2
353.08868	22.5
451.94321	0.2
488.08304	0.2
511.27963	0.2
598.37415	0.3
647.17950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15896	0.8
59.01384	38.9
64.34312	0.7
67.01917	0.9
71.01397	1.7
72.99289	0.8
77.11933	0.8
81.69093	0.8
82.77470	1.0
85.02942	6.7
87.00880	26.6
87.01382	1.7
87.02030	0.9
89.02425	0.9
93.03462	15.0
96.96007	5.5
103.00368	18.7
109.02985	0.9
111.04514	1.8
114.28508	0.8
121.02950	35.4
124.22216	1.1
127.04026	0.9
129.02007	1.2
130.99849	13.5
135.04517	35.2
150.03218	1.0
161.02490	9.5
165.05479	1.2
166.05956	0.9
169.15411	0.8
173.04552	4.2
179.03520	22.3
191.05627	100.0
241.01353	0.9
253.03535	23.1
293.08170	0.9
353.08810	1.8
461.93997	1.0
563.50067	1.0
647.18396	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02964	0.2
57.16491	0.2
57.98226	0.2
59.01384	2.6
64.84183	0.2
67.01904	0.3
69.03451	0.2
71.01398	1.6
73.02948	0.4
81.03486	0.3
82.36510	0.2
83.05063	0.3
85.02948	10.4
87.00884	3.0
89.02448	0.5
92.10193	0.3
93.03453	4.4
99.04523	0.4
109.02961	0.5
111.04537	1.9
119.05007	0.6
127.04035	2.6
133.02951	7.1
135.03474	0.5
135.04526	15.4
161.02454	34.8
163.04039	1.0
171.02979	1.1
173.04587	1.2
179.02032	0.5
179.03505	9.9
189.22151	0.2
191.05634	100.0
192.06055	0.3
208.55339	0.2
208.83099	0.2
293.12454	0.5
353.08871	4.9
455.12012	13.8
457.91528	0.2
491.03055	0.3
647.18402	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	647.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.3
58.08034	0.2
59.01390	3.7
71.01389	2.4
73.02966	0.4
78.21941	0.3
81.03472	0.4
85.02959	11.4
87.00874	2.9
89.02435	0.7
93.03458	5.4
96.96008	1.4
99.04518	0.5
100.00410	0.3
101.02455	0.4
109.02924	0.6
111.04507	1.4
117.03532	0.3
119.04996	0.5
125.02443	0.5
127.04015	2.9
133.02953	7.9
135.04518	18.8
157.62354	0.3
161.02444	40.3
163.04008	0.7
167.67522	0.3
171.02989	0.6
173.04558	2.1
177.01961	0.4
179.03520	9.7
191.05626	100.0
192.05972	0.3
219.14352	0.3
228.75719	0.3
295.08209	0.3
325.09982	0.4
351.07327	0.4
353.08762	3.6
455.12033	15.1
473.12906	0.5
617.59003	0.3
647.18390	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	645.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	4.2
57.03464	1.9
59.01390	17.9
66.82728	0.8
68.99577	11.2
71.01388	37.1
73.02949	15.1
74.11572	0.7
83.01392	6.7
85.02966	19.9
87.00865	1.2
88.24226	0.7
89.02452	6.1
89.78046	0.7
93.69924	0.8
95.01386	1.9
97.02979	1.4
99.00871	8.4
101.02454	26.5
112.98592	7.3
113.02470	18.0
114.93407	11.3
115.04028	3.3
131.03494	1.0
132.39723	0.9
143.03450	0.9
154.17737	1.0
159.02957	1.9
161.04570	9.3
291.23468	1.0
323.54169	1.2
453.28696	5.1
585.32916	100.0
586.33093	1.6
609.32935	5.5
645.30536	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	645.3058
Annotation	Gambogenific acid
Peak:m/z	Relative Intensity
51.89417	0.6
55.01884	0.7
59.01393	6.4
60.08073	0.6
61.32066	0.6
64.34395	0.7
71.01395	14.0
72.27366	0.7
72.99346	0.8
73.02945	6.0
81.03415	1.0
83.01379	1.5
83.56606	0.7
85.02977	7.8
89.02457	5.3
95.01392	1.1
99.00879	3.2
101.02454	12.3
108.57425	0.7
113.02441	6.1
113.07011	0.7
131.03452	0.9
161.04497	4.9
200.13744	0.7
213.38054	0.9
335.43188	0.8
477.28687	1.1
609.32977	48.5
645.30603	100.0
646.30890	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	645.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16671	1.3
55.48733	1.3
57.73149	1.3
59.01390	2.6
63.02709	1.4
71.01433	1.4
92.10847	1.9
102.00687	1.5
114.46977	1.5
116.92952	1.7
178.09297	1.7
487.34326	36.9
572.42444	1.6
645.33350	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	645.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	3.2
57.03466	1.7
59.01390	38.8
59.25852	1.0
61.98836	12.6
66.14350	1.1
71.01386	41.4
72.99335	1.2
73.02948	19.4
75.86176	1.2
83.01406	8.4
85.02946	20.4
87.00896	2.5
89.02451	19.9
93.03486	2.0
95.01385	2.3
96.96008	45.2
96.96970	1.5
97.02963	2.3
99.00885	9.0
100.20062	1.4
101.02449	50.9
113.02465	15.1
116.92849	1.5
119.03539	1.7
121.02989	1.3
123.73118	1.3
125.02451	6.5
131.03508	1.9
133.02954	2.9
134.03746	2.4
135.04543	3.3
137.02518	1.9
143.03506	1.3
149.04601	2.5
160.01680	2.1
161.02473	8.0
161.04553	11.8
165.76480	1.3
175.04022	5.0
191.05634	8.4
193.05066	2.1
207.43364	1.3
291.18219	16.5
423.22498	16.3
453.23419	7.4
585.27759	100.0
586.28125	2.4
645.27948	1.7
662.46741	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	645.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.2
57.03465	0.7
58.00603	1.1
59.01386	33.5
59.12626	0.7
61.98862	3.1
69.03474	1.2
71.01382	37.2
72.99331	1.6
73.02944	17.3
73.50954	0.7
83.01393	6.1
85.02964	16.4
87.00879	1.1
89.02443	15.9
92.10152	2.0
95.01387	1.7
97.02975	3.9
99.00883	6.1
101.02445	39.9
101.03085	1.4
106.80008	0.8
113.02476	14.1
115.03994	1.4
119.03503	1.8
125.02432	6.6
130.86232	0.8
131.03511	3.5
143.03526	1.8
159.02968	1.6
161.04568	11.6
181.04274	0.7
187.09727	1.4
269.75220	0.9
291.18195	21.7
380.02802	1.2
423.22430	17.5
437.27731	0.8
453.23459	5.4
585.27747	100.0
586.27618	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	645.3059
Annotation	Gambogenific acid
Peak:m/z	Relative Intensity
54.03732	0.7
55.01897	1.2
59.01387	9.7
61.64516	0.8
68.99574	7.9
69.31464	0.8
71.01385	11.1
73.02950	5.2
83.01389	1.3
85.02497	0.8
85.02921	6.9
89.02444	4.7
99.00890	3.2
101.02436	13.3
112.98573	3.9
113.02450	4.8
126.26091	0.9
131.03499	0.9
142.33698	0.9
152.72673	0.8
153.93346	0.9
161.04562	2.2
257.91309	0.9
315.23074	1.1
449.58542	0.9
477.28647	1.9
609.32928	56.5
643.77332	1.0
645.30615	100.0
646.30963	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	645.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93371	1.5
53.54760	1.4
55.01902	2.3
55.54357	1.4
57.03447	2.0
59.01395	21.6
61.98840	17.7
64.65837	1.7
71.01387	22.5
72.39978	1.5
73.02954	6.7
81.90852	1.4
83.01395	4.2
85.02952	14.3
85.05414	1.7
87.00886	2.8
89.02444	13.2
93.03479	11.3
96.96006	7.1
99.00913	3.1
101.02443	23.6
109.02923	1.8
113.02486	9.7
117.03488	3.6
119.04970	2.2
125.60440	1.8
132.02179	22.8
133.03009	6.2
134.03752	62.3
135.04509	9.9
137.02382	2.9
140.49294	2.1
146.15303	1.7
149.06084	8.4
160.01677	100.0
161.02420	10.4
161.04539	3.3
173.04613	6.5
175.02499	3.1
175.04024	97.1
176.19875	1.6
178.02695	3.8
179.03468	2.8
185.03926	1.6
190.40958	1.5
191.05661	12.6
193.05078	58.8
271.02490	2.6
291.18347	3.2
293.48999	1.7
300.02853	2.3
301.03754	1.9
585.27612	18.9
587.77893	2.1
645.27795	74.4
645.37897	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	645.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
57.03469	0.8
58.00610	0.6
59.01394	36.3
66.32957	0.5
71.01389	29.1
71.47424	0.5
72.99339	1.0
73.02956	9.2
75.00894	0.6
80.96536	0.7
83.01408	0.8
83.05066	0.6
85.02962	7.6
87.00914	3.0
89.02448	49.1
89.03992	3.2
93.03484	2.3
94.15501	0.5
95.01390	2.4
96.96037	2.3
97.02941	0.8
99.00879	10.7
101.02442	18.7
113.02460	13.0
116.33239	0.6
117.03474	10.4
119.03493	6.7
125.02467	4.0
129.09245	12.4
131.03499	5.2
134.03749	100.0
135.04532	1.0
137.02432	0.6
137.51707	0.7
143.03503	4.1
143.10843	1.0
148.01697	1.2
149.04573	13.5
149.06053	6.7
158.67267	0.6
161.02449	2.5
161.04575	4.9
171.10307	2.4
175.04091	0.9
176.01176	13.8
177.01538	4.3
178.02835	1.0
178.90495	0.7
179.03532	0.8
179.03952	0.9
179.05609	12.9
185.50989	0.6
191.03546	8.3
191.05644	7.9
192.03929	2.2
193.05092	59.5
194.41498	0.6
201.11353	0.7
203.71057	0.6
219.12489	1.4
221.06598	0.7
225.16177	0.8
230.43321	0.6
251.07756	2.5
263.07809	2.5
271.02567	2.5
275.07782	3.8
291.14417	0.9
293.08804	2.6
297.95255	0.6
300.02661	2.5
310.09119	0.6
351.21707	0.8
371.12189	0.7
420.65085	0.7
451.33054	11.7
455.14191	3.3
473.15448	0.9
564.69714	0.7
573.91425	0.7
609.15253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
57.03460	3.3
58.00594	1.7
59.01384	58.6
61.98833	6.3
69.03436	1.4
71.01383	55.2
73.02946	24.6
81.15396	1.5
83.01413	8.8
85.02934	18.5
87.00893	3.5
89.02441	52.8
93.03459	3.3
95.01432	3.4
96.96012	6.4
97.02966	2.4
99.00875	20.6
101.02438	47.3
104.38786	1.7
113.02450	21.2
115.04028	2.9
119.03481	6.8
125.02470	8.0
131.03505	3.9
134.03735	12.6
135.04529	2.9
137.02419	2.7
143.03572	2.4
144.69257	1.5
149.04538	12.9
159.02985	2.0
160.01671	16.1
161.04556	14.3
171.04251	1.6
173.04602	2.4
175.03989	15.4
179.03450	3.6
179.05623	8.3
191.05623	9.2
193.05074	8.2
218.66399	1.6
257.24286	1.8
291.18121	13.2
293.08795	1.9
347.22299	2.0
423.22272	13.6
447.22421	8.3
453.23553	3.8
477.23788	2.5
585.19385	2.8
585.27887	59.7
609.27820	100.0
645.25970	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75238	0.4
59.01385	11.4
71.01388	3.0
73.02943	1.0
74.99072	1.0
85.02982	0.8
89.02453	2.6
93.03465	4.6
96.96015	7.1
99.00903	0.7
101.02442	1.4
101.88903	0.6
109.02939	0.7
116.92908	0.6
121.02979	2.7
122.03747	7.8
123.04494	0.6
133.03024	0.9
135.04523	3.0
137.02449	7.7
137.06128	1.0
149.02461	34.8
150.03239	82.4
151.00377	1.2
151.04048	7.1
164.04802	13.0
165.05579	100.0
166.05887	0.8
167.07141	1.2
173.04536	1.0
177.01935	0.7
179.03516	25.6
179.05109	0.9
180.04311	9.3
191.05621	11.4
194.05861	25.5
195.06650	41.6
195.25926	0.6
209.08211	15.4
227.09258	8.5
253.84576	0.7
258.67218	0.7
285.45392	0.6
301.07245	4.8
315.08905	3.1
316.09473	1.3
331.11914	6.8
337.09259	0.9
360.12100	2.7
375.14532	32.6
399.46423	0.8
423.16650	57.1
453.46243	0.7
513.10571	0.8
557.19025	0.8
645.29315	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	644.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03442	0.3
59.01389	5.8
61.98838	100.0
64.28489	0.3
71.01383	6.6
72.03320	0.3
72.99319	0.4
73.02956	2.4
74.55936	0.3
78.15121	0.3
82.95429	0.4
83.01379	0.4
85.02953	2.7
87.00872	0.5
89.02459	2.6
90.02689	0.4
93.03468	2.0
96.96001	0.4
99.00880	0.4
101.02448	4.2
108.02174	0.4
113.02481	1.8
119.03555	0.7
119.05047	1.5
125.02466	0.8
134.03711	1.4
135.04558	0.8
145.03021	0.4
149.02493	0.6
154.12572	0.4
155.03459	0.5
155.10854	0.4
159.02948	0.4
160.01660	0.6
161.02412	1.7
161.04510	0.5
173.04544	2.5
175.04016	0.7
177.02141	0.4
191.05583	3.4
193.05034	0.4
223.06300	0.4
236.06558	0.4
248.86511	0.4
255.03165	0.6
259.18170	0.4
271.02405	0.5
273.61646	0.4
300.02771	2.6
301.03415	1.6
390.31528	0.4
503.75208	0.6
584.26221	2.7
584.78235	1.8
585.28015	0.9
612.82910	0.5
627.76086	0.4
644.78961	0.4
645.27679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.0
61.98833	100.0
71.01357	0.2
71.73444	0.1
73.02921	0.2
76.32688	0.2
85.02963	0.2
86.07201	0.2
89.02452	0.6
93.03483	0.3
96.96027	0.4
101.02467	0.2
135.04506	0.2
136.34567	0.2
161.02383	0.2
173.04568	0.2
179.03537	0.2
180.28252	0.2
191.05623	1.1
201.69952	0.2
248.71040	0.2
375.11130	0.2
400.49527	0.2
423.18262	0.2
473.97397	0.2
478.04367	0.2
508.03708	0.2
530.22357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.0
61.98833	100.0
71.01357	0.2
71.73444	0.1
73.02921	0.2
76.32688	0.2
85.02963	0.2
86.07201	0.2
89.02452	0.6
93.03483	0.3
96.96027	0.4
101.02467	0.2
135.04506	0.2
136.34567	0.2
161.02383	0.2
173.04568	0.2
179.03537	0.2
180.28252	0.2
191.05623	1.1
201.69952	0.2
248.71040	0.2
375.11130	0.2
400.49527	0.2
423.18262	0.2
473.97397	0.2
478.04367	0.2
508.03708	0.2
530.22357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	0.2
59.01377	2.8
60.44167	0.2
71.01390	2.2
73.02941	0.3
76.14457	0.3
78.58668	0.3
80.96521	1.2
85.02949	1.6
87.00872	0.6
89.02431	1.6
93.03457	1.1
96.96004	1.2
101.02445	1.3
104.02705	8.1
111.00902	1.1
113.02433	0.5
129.01915	0.3
133.02971	1.7
135.04529	1.7
136.40137	0.3
137.02405	0.5
143.03462	0.3
148.01692	13.2
161.02483	3.9
161.04546	0.3
171.86220	0.3
173.04575	0.4
176.01170	100.0
177.01375	0.9
179.03517	1.5
191.03543	63.4
191.05571	6.2
192.03932	0.4
306.51636	0.3
323.07849	0.5
481.24472	0.4
513.96100	0.4
583.28363	1.3
643.19403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29642	0.6
54.82819	0.6
55.01887	3.4
55.97127	0.6
57.03458	3.2
58.00596	1.2
59.01386	29.6
69.03485	0.7
69.35486	0.6
71.01379	39.3
72.99306	0.9
73.02946	17.3
75.00874	0.7
80.96532	1.4
83.01392	5.5
85.02951	19.5
87.00906	1.1
89.02440	19.8
92.10088	1.5
92.86621	0.6
95.01395	3.8
97.02959	2.5
99.00867	11.2
101.02446	30.5
111.00904	1.6
113.02453	13.7
115.04048	1.3
119.03460	1.4
125.02431	3.3
131.03493	2.5
135.04515	1.6
143.03539	3.4
149.04591	4.7
159.02994	2.7
161.02466	1.3
161.04559	4.2
171.65758	0.7
179.03383	0.8
191.05687	4.1
233.06708	1.1
271.20944	0.9
285.87518	0.7
291.23257	1.3
331.22888	0.7
349.23874	20.7
466.66611	0.8
511.29169	14.7
643.33563	100.0
644.33441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42751	1.6
54.31478	1.5
55.01891	2.8
57.03461	3.2
59.01386	80.2
61.98838	34.1
68.22472	1.9
68.31246	1.6
69.03472	3.0
71.01389	56.6
73.02956	21.4
75.00864	2.8
80.96547	3.1
83.01424	8.7
85.02964	26.7
87.00887	49.3
87.01375	2.8
89.02451	59.0
93.03493	7.6
95.01395	2.5
96.96020	19.2
97.02952	3.5
99.00878	21.7
99.04520	2.3
101.02455	37.4
108.96019	1.7
111.00929	2.7
111.04557	1.8
113.02437	16.5
115.04011	4.3
116.92887	9.4
119.03506	2.9
119.05070	1.8
121.03027	3.3
125.02466	12.5
131.03508	7.7
133.02982	4.2
135.04562	10.1
137.02504	2.4
141.01862	7.2
143.03516	4.4
145.02956	2.4
149.04547	13.1
159.02974	2.5
161.02438	8.7
161.04558	6.9
173.04634	3.3
175.04095	2.9
176.81313	1.9
179.03477	4.3
191.05618	24.7
229.67584	1.9
233.06662	8.3
271.20798	2.9
291.07089	2.4
293.08899	3.3
309.24625	2.0
348.23184	3.3
349.24011	22.5
511.29254	7.0
532.83282	1.9
560.11438	1.9
583.26038	50.6
583.33691	2.1
643.33728	100.0
644.33618	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	643.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29642	0.6
54.82819	0.6
55.01887	3.4
55.97127	0.6
57.03458	3.2
58.00596	1.2
59.01386	29.6
69.03485	0.7
69.35486	0.6
71.01379	39.3
72.99306	0.9
73.02946	17.3
75.00874	0.7
80.96532	1.4
83.01392	5.5
85.02951	19.5
87.00906	1.1
89.02440	19.8
92.10088	1.5
92.86621	0.6
95.01395	3.8
97.02959	2.5
99.00867	11.2
101.02446	30.5
111.00904	1.6
113.02453	13.7
115.04048	1.3
119.03460	1.4
125.02431	3.3
131.03493	2.5
135.04515	1.6
143.03539	3.4
149.04591	4.7
159.02994	2.7
161.02466	1.3
161.04559	4.2
171.65758	0.7
179.03383	0.8
191.05687	4.1
233.06708	1.1
271.20944	0.9
285.87518	0.7
291.23257	1.3
331.22888	0.7
349.23874	20.7
466.66611	0.8
511.29169	14.7
643.33563	100.0
644.33441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	31.1
59.85606	4.4
71.01382	22.3
73.02947	6.7
75.36980	5.0
85.02943	5.4
89.02438	9.1
91.97546	5.7
101.02440	23.6
113.02442	7.0
126.98767	4.9
132.67882	5.0
161.04588	6.5
183.51608	5.6
223.02690	5.7
238.61850	5.8
361.98544	5.5
381.65240	6.3
395.74750	5.6
583.31000	7.9
607.31256	69.7
624.06537	5.7
643.28992	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	643.2907
Annotation	Oxygambogic acid
Peak:m/z	Relative Intensity
55.01902	1.4
57.03463	6.4
57.07037	1.3
59.01406	12.7
60.37010	1.3
61.98836	3.5
63.54076	1.2
71.01398	3.8
83.01416	2.3
84.02226	1.6
85.02971	37.9
89.02425	1.9
92.10169	3.9
96.96030	2.1
97.02983	15.0
119.08679	7.6
123.04508	2.9
127.14134	1.3
130.67574	1.7
139.03999	3.5
161.06116	3.4
163.07573	2.4
181.80711	1.4
191.05614	3.0
259.23465	1.9
323.20276	2.8
367.19162	9.8
491.42661	1.9
513.84418	2.1
529.28436	25.1
547.29266	3.3
563.32184	3.7
565.30371	15.7
583.31726	6.8
607.31470	21.3
643.29077	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	643.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	38.1
61.45023	3.5
61.98837	24.5
69.00740	3.5
70.89158	3.2
71.01389	23.3
73.02949	13.5
83.01378	5.6
85.02970	19.4
89.02460	22.2
89.17459	3.5
90.16892	4.1
96.95998	5.9
99.00869	6.8
101.02440	18.6
109.90987	4.2
127.99770	4.2
135.04489	4.1
135.83304	4.1
137.02409	16.7
163.97455	3.6
165.00685	5.8
165.01941	100.0
166.02635	6.4
179.03503	18.8
180.04330	47.5
181.05052	4.7
191.05690	8.5
195.06697	50.2
210.05392	6.5
225.07669	38.9
529.28296	4.0
529.35278	4.3
583.31061	19.1
607.31390	44.0
643.28882	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2899
Annotation	Oxygambogic acid
Peak:m/z	Relative Intensity
51.78782	1.8
59.01389	11.3
59.04510	2.4
70.68650	1.7
71.01376	15.1
72.66237	1.9
73.02937	8.1
79.39898	1.7
85.02975	3.2
89.02455	9.0
96.96049	2.6
99.00887	4.2
101.02454	12.1
113.02423	4.5
149.74269	2.0
199.99794	2.0
475.27087	3.7
607.31464	69.8
643.28949	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	643.2897
Annotation	Oxygambogic acid
Peak:m/z	Relative Intensity
53.29946	3.3
59.01394	22.9
59.71241	3.4
60.88184	3.9
61.98837	5.4
71.01382	28.4
71.79190	4.3
73.02955	6.0
85.02970	6.9
89.02466	19.7
92.65916	4.0
94.53877	3.8
99.00871	5.6
101.02431	22.1
113.02457	4.2
126.51268	3.6
148.63220	4.2
578.75104	4.4
607.31384	64.7
643.28815	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	643.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77867	0.4
55.01887	3.9
56.05949	0.4
57.03452	1.1
58.00601	1.0
59.01386	58.1
61.77765	0.5
61.98829	6.6
67.78944	0.4
68.52376	0.4
69.03470	0.8
71.01384	47.8
72.99319	0.9
73.02947	17.4
74.92014	0.4
75.00893	0.7
75.11556	0.4
83.01408	5.7
83.28355	0.4
85.02958	14.9
87.00875	3.3
89.02443	46.6
92.10075	0.8
93.03459	2.2
93.43915	0.4
95.01411	3.1
96.95991	0.6
97.02938	2.4
99.00887	10.3
101.02444	33.4
102.13497	0.4
113.02457	19.1
115.04018	1.0
118.63306	0.4
119.03506	11.0
125.02453	6.3
131.03520	5.1
133.02934	0.9
135.04585	1.1
137.02477	0.7
141.01753	1.1
143.03513	2.8
149.04573	7.1
159.03046	1.1
161.02438	2.3
161.04552	8.3
173.04514	1.1
177.02130	0.7
179.03499	1.1
179.05635	3.6
190.54796	0.6
191.05656	5.2
214.88699	0.4
221.06697	2.3
233.06583	0.9
261.33969	0.5
285.07690	0.9
289.16623	6.5
337.14383	0.5
421.20917	16.7
451.21896	5.6
583.26190	100.0
584.26404	0.9
643.33380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20441	0.2
54.82394	0.3
60.23814	0.3
68.04383	0.2
70.91071	0.2
75.53347	0.3
79.57980	0.3
79.95727	0.6
88.38219	0.3
92.10131	1.4
96.96011	5.5
109.40043	0.3
119.15665	0.3
125.79106	0.2
215.97581	0.3
241.00298	0.5
260.17459	0.3
283.26471	100.0
284.26813	0.7
372.76715	0.3
641.37439	5.5
642.37646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03465	0.7
58.00606	2.6
59.01387	78.4
60.85652	0.6
61.98853	0.8
69.03429	0.8
69.13464	0.6
71.01385	57.0
72.99332	3.4
73.02945	19.1
75.00866	0.9
80.99942	0.6
83.01420	1.3
85.02961	11.8
87.00882	4.6
88.98806	1.1
89.02451	100.0
92.10796	1.9
93.03448	3.1
95.01402	4.2
96.96005	4.6
97.02943	2.6
99.00887	27.4
101.02451	38.4
103.26698	0.6
107.58447	0.6
111.00887	0.8
113.02462	23.3
119.03516	15.5
121.02956	10.6
123.00921	1.2
123.04488	0.8
124.01658	1.2
125.02446	6.9
127.07659	22.3
131.03513	12.1
133.02983	1.2
135.04543	3.3
137.02454	3.0
140.53062	0.8
141.09302	1.0
143.03520	4.6
149.04573	25.9
151.07643	4.8
152.01192	0.8
153.05600	4.7
155.10783	1.0
159.02988	0.8
161.04567	12.3
167.03474	1.0
169.08740	5.1
173.04599	1.0
179.03366	1.1
179.03983	1.1
179.05634	26.9
181.08783	4.7
191.05663	14.3
197.04559	8.4
199.09784	3.2
217.10890	1.3
221.06662	4.4
251.07881	5.2
259.11990	1.3
263.07715	3.4
275.07755	5.6
289.12997	4.5
293.08859	4.8
327.44296	0.7
371.11707	1.0
455.13855	2.9
473.15106	1.4
643.18823	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	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	9.7
57.03455	5.4
58.00594	1.1
59.01385	44.9
61.98832	2.4
66.90172	0.9
67.56898	0.9
69.03461	1.2
71.01381	63.0
71.65901	0.9
72.97919	1.0
72.99309	1.7
73.02945	18.7
74.02989	0.9
75.00854	1.1
83.01392	13.8
85.02952	37.7
85.70542	1.1
87.00885	2.1
89.02447	13.9
90.99218	1.0
95.01392	6.5
97.02922	2.1
99.00865	10.6
101.02441	48.8
113.02454	27.8
119.03457	1.9
125.02420	2.2
129.01973	1.1
143.03506	1.2
159.02959	2.2
161.04575	15.6
220.67078	1.0
319.26804	1.1
397.82886	1.4
457.82153	1.2
479.30136	19.7
641.35559	100.0
642.35577	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	641.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92863	1.4
52.52436	1.4
55.01889	3.0
57.03447	3.0
58.00608	1.5
59.01385	74.0
61.98842	9.3
64.74618	1.4
69.03456	2.4
71.01379	57.8
72.99306	3.2
73.02934	25.1
74.67661	1.4
75.00884	7.5
83.01400	9.9
85.02942	28.2
87.00871	12.2
88.98817	10.8
89.02436	39.1
89.55662	1.6
93.03448	12.7
95.01395	2.0
97.03009	2.5
99.00870	19.9
101.02445	58.0
101.03084	2.2
111.00911	6.8
113.02444	22.9
113.03152	1.7
115.04076	3.8
116.92865	2.8
119.03513	3.9
121.02954	31.9
123.00847	1.6
124.07702	3.3
125.02458	3.7
131.03569	2.0
137.02448	21.0
143.03436	2.7
149.04565	3.5
159.03036	2.0
161.04547	8.1
179.05762	2.2
191.05641	12.4
229.01370	1.7
272.26639	2.1
287.13940	6.9
287.22415	7.2
309.07632	4.0
324.10016	3.7
339.12460	7.6
360.64435	2.3
424.34033	2.0
428.69193	1.8
449.27399	15.6
519.25024	3.3
581.32001	64.2
595.26428	1.9
623.31622	2.9
641.33875	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	641.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04057	0.6
50.75927	0.6
54.15282	0.7
54.47644	0.6
55.01895	0.6
56.00166	0.7
57.03460	1.7
58.00611	1.3
59.01385	82.1
61.98835	7.5
66.83281	0.6
69.03484	1.0
71.01380	51.1
72.99329	3.9
73.02940	21.8
75.00896	0.9
77.88697	0.9
83.01376	1.5
85.02946	8.9
85.03316	0.6
87.00899	1.1
89.02442	100.0
92.10762	1.7
93.03477	3.3
95.01397	0.8
97.02884	2.6
99.00876	39.0
100.19087	0.7
101.02439	30.9
111.18034	0.9
113.02448	8.4
119.03516	5.5
125.02463	4.7
129.05580	1.2
131.03511	12.2
137.02446	4.9
143.03519	1.0
149.04564	33.8
161.04570	4.3
191.05629	14.1
221.06793	1.8
251.07713	3.2
252.66943	1.0
491.26511	1.1
553.26404	7.1
581.31665	1.6
583.27063	1.8
623.30841	29.3
641.31946	11.7
652.32880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00711	2.2
55.01889	11.8
57.03463	4.4
59.01386	82.6
61.98845	11.8
69.03479	3.1
69.04689	2.4
71.01384	82.5
72.99326	4.8
73.02942	35.9
76.33046	3.6
80.87980	2.4
83.01391	20.7
85.02959	36.7
88.98817	5.1
89.02451	40.3
93.03463	52.4
93.04018	3.2
95.01426	3.8
97.02966	4.0
99.00888	15.0
101.02454	67.6
109.02955	12.4
110.72498	2.8
111.00857	4.5
113.02462	36.6
116.92883	13.2
119.03522	4.2
120.99646	4.5
121.02953	5.2
122.03735	3.0
125.02479	4.7
129.02045	3.2
129.65599	2.6
131.03470	4.2
133.02968	6.1
135.04543	44.2
136.01692	5.3
137.02458	94.4
149.04558	3.8
150.03279	4.9
153.01942	16.3
153.27443	2.8
154.82999	2.5
155.10736	3.4
159.03133	4.1
159.04486	9.3
160.05305	37.8
161.02441	15.1
161.04605	11.0
161.06073	10.3
163.04008	3.9
164.04849	3.0
173.06102	3.1
175.07619	24.4
177.05644	4.2
178.06331	6.1
179.03552	3.5
185.87503	2.8
191.05688	14.2
197.74809	2.9
233.61676	2.7
257.08209	18.5
281.06735	63.5
315.12543	5.7
329.14044	17.5
345.13376	4.5
347.22232	3.0
419.13840	5.3
479.32443	25.3
509.27686	6.1
581.31610	39.9
641.21991	38.8
641.32239	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	641.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00711	2.2
55.01889	11.8
57.03463	4.4
59.01386	82.6
61.98845	11.8
69.03479	3.1
69.04689	2.4
71.01384	82.5
72.99326	4.8
73.02942	35.9
76.33046	3.6
80.87980	2.4
83.01391	20.7
85.02959	36.7
88.98817	5.1
89.02451	40.3
93.03463	52.4
93.04018	3.2
95.01426	3.8
97.02966	4.0
99.00888	15.0
101.02454	67.6
109.02955	12.4
110.72498	2.8
111.00857	4.5
113.02462	36.6
116.92883	13.2
119.03522	4.2
120.99646	4.5
121.02953	5.2
122.03735	3.0
125.02479	4.7
129.02045	3.2
129.65599	2.6
131.03470	4.2
133.02968	6.1
135.04543	44.2
136.01692	5.3
137.02458	94.4
149.04558	3.8
150.03279	4.9
153.01942	16.3
153.27443	2.8
154.82999	2.5
155.10736	3.4
159.03133	4.1
159.04486	9.3
160.05305	37.8
161.02441	15.1
161.04605	11.0
161.06073	10.3
163.04008	3.9
164.04849	3.0
173.06102	3.1
175.07619	24.4
177.05644	4.2
178.06331	6.1
179.03552	3.5
185.87503	2.8
191.05688	14.2
197.74809	2.9
233.61676	2.7
257.08209	18.5
281.06735	63.5
315.12543	5.7
329.14044	17.5
345.13376	4.5
347.22232	3.0
419.13840	5.3
479.32443	25.3
509.27686	6.1
581.31610	39.9
641.21991	38.8
641.32239	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	641.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
56.76692	0.7
57.03444	0.9
58.00599	1.2
59.01387	57.0
60.07238	0.7
60.43288	0.8
61.80976	0.8
61.98839	6.8
70.99642	0.8
71.01382	39.9
72.99310	1.9
73.02950	13.3
77.70316	0.8
78.29246	0.9
83.01401	1.0
85.02966	8.5
87.00914	1.0
89.02445	61.5
95.01406	0.9
99.00875	20.2
101.02451	24.7
113.02449	10.6
119.03510	7.8
125.02406	2.1
131.03508	7.8
131.97615	0.9
143.03510	1.3
149.04570	16.7
151.12140	1.0
161.04591	1.7
168.49043	0.9
191.05603	7.5
197.34300	0.9
231.21548	1.0
251.07727	1.2
293.08936	1.3
496.14441	0.9
581.29767	100.0
582.30219	1.1
605.29968	2.1
641.27576	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	641.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96666	0.8
54.82250	0.8
55.01913	1.6
55.19435	0.8
57.03460	1.0
59.01390	38.5
59.01688	1.4
60.99325	1.0
61.98859	1.3
71.01386	21.9
72.99328	1.8
73.02970	4.5
78.91341	0.9
82.95429	1.1
83.01413	4.0
85.02959	9.0
87.00898	2.1
87.09564	0.9
88.98817	9.5
89.02450	15.8
93.03456	1.3
95.01411	1.6
99.00897	1.5
101.02444	14.3
105.88229	0.8
109.02985	1.0
113.02474	6.9
116.92873	2.1
119.03506	4.3
121.02982	1.6
123.00864	6.7
123.04468	0.9
124.01682	1.4
137.02495	6.7
138.03239	15.3
139.00435	1.4
139.04041	4.6
145.02960	2.0
146.38275	0.9
147.04520	4.2
151.03970	6.6
152.04779	1.7
153.05637	12.0
155.10834	1.8
159.04532	1.5
161.02417	0.9
161.04596	1.0
163.04071	8.4
165.02042	1.2
174.03285	3.8
175.04037	22.0
176.04828	4.6
177.05565	1.8
179.03491	1.5
180.04254	9.0
181.05025	1.2
187.04001	2.1
188.04807	6.7
189.05576	10.1
190.06395	26.2
191.03726	1.3
191.05589	6.8
191.07182	18.3
192.04366	1.0
193.05057	13.3
194.05862	9.8
201.05612	1.1
202.06296	3.6
203.07173	6.9
205.08755	24.7
206.05849	1.2
207.06705	10.6
208.07454	15.3
218.05750	0.9
221.08366	1.3
222.09045	2.0
223.09846	1.5
233.08208	2.2
235.53654	1.1
256.93668	1.0
271.09930	1.1
313.07169	1.9
326.08145	1.1
327.08755	3.6
340.09708	1.0
341.06631	1.4
341.10394	4.0
343.08234	1.5
344.08832	3.3
355.12119	3.1
356.09134	1.5
358.10593	5.8
359.11420	10.6
371.11340	8.0
373.12982	12.5
374.13785	3.6
386.13867	3.4
389.16211	100.0
394.25592	0.9
401.16171	3.4
404.14871	13.2
405.15631	2.1
419.11768	1.7
419.17194	36.0
479.21432	1.7
519.24445	1.0
566.20178	1.2
581.22540	98.7
582.23596	1.4
601.37592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43883	4.8
51.55532	5.6
59.01393	70.5
61.98827	11.1
64.34683	6.6
66.37759	5.2
71.01396	39.4
73.02955	26.6
76.64813	6.4
83.01413	6.5
85.02985	16.2
88.98828	38.3
89.02464	49.6
96.96060	7.8
99.00901	14.3
101.02457	40.2
121.03012	8.1
161.04434	7.6
175.04022	6.8
191.05684	7.1
203.42494	7.1
255.93633	7.1
255.96428	6.4
278.40704	6.7
311.49368	7.2
581.29175	7.4
605.29895	98.3
641.27051	100.0
641.37042	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	641.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30763	0.7
55.01892	1.2
57.03455	5.3
58.00608	1.5
58.89086	0.9
59.01387	49.4
61.98836	1.8
69.03470	3.7
71.01385	43.8
71.53973	0.9
72.17497	0.8
72.99312	3.6
73.02940	17.3
75.00872	2.2
76.40295	0.9
76.59906	0.8
81.03445	1.6
83.01411	6.3
85.02954	11.9
87.00879	36.7
89.02445	50.1
92.08880	1.0
93.03456	2.1
95.01389	2.1
96.96014	1.3
97.02953	4.6
99.00890	18.1
99.32533	0.9
101.02451	26.7
107.01451	1.1
111.00886	1.6
113.02445	10.7
115.04019	4.2
116.92884	2.3
119.03500	4.2
123.08195	5.1
125.02448	17.9
131.03508	4.9
135.08189	7.7
137.02428	1.1
137.09781	0.9
138.37325	0.9
141.01910	2.1
143.03487	1.5
149.04558	6.4
151.00377	2.3
151.03966	1.1
153.01935	5.5
159.03003	1.2
160.01659	1.4
161.04593	1.6
172.90059	0.9
175.03934	1.6
176.69376	1.1
177.01918	1.3
191.05698	7.5
233.06659	5.3
267.17560	8.1
271.17752	0.9
271.20715	2.2
285.04001	2.3
285.18774	8.1
289.21716	2.2
291.07199	1.5
293.08832	5.3
303.05151	5.0
346.21625	5.1
347.18259	1.0
347.22354	30.8
385.20581	1.0
419.24442	4.4
445.34689	1.0
448.56656	1.2
477.38550	1.0
509.27646	7.3
581.31470	6.4
641.31891	100.0
642.31494	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	641.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31439	1.0
55.01902	1.4
56.75851	0.9
56.94791	0.9
57.03469	1.4
58.00602	1.9
59.01387	100.0
60.99322	4.5
61.98838	1.7
66.54172	1.1
71.00789	1.5
71.01384	56.1
72.99321	5.4
73.02958	4.5
75.00874	2.5
82.76829	1.1
83.01414	4.2
85.02957	11.0
87.00890	1.9
88.98814	25.5
89.02444	58.3
93.03483	1.5
95.01398	2.5
96.96012	12.6
99.00875	1.9
101.02448	25.8
113.02456	16.3
116.92883	5.4
119.03512	20.2
119.04945	1.4
125.02472	2.2
134.06111	1.9
135.04514	1.9
137.02461	1.7
138.03259	2.1
139.04131	1.5
141.01718	2.2
143.03497	2.5
149.04616	2.2
151.04004	5.6
153.04424	1.1
153.05583	4.4
159.04582	1.5
161.02487	1.4
161.04575	6.3
175.04070	7.5
179.05685	16.5
181.05081	1.6
187.04041	6.2
188.04810	2.0
189.05482	2.2
190.06360	4.8
191.05627	8.7
191.07143	2.3
202.06490	1.7
205.05080	6.7
205.08710	1.1
220.07497	8.0
235.09755	5.5
313.11038	1.3
341.10220	9.6
356.12701	2.5
371.15265	1.6
386.13812	1.7
389.16345	3.7
401.16147	35.4
581.22534	21.4
595.28235	1.5
630.67871	1.2
641.33337	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	640.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82775	0.2
55.01895	0.2
59.01392	5.4
60.01717	0.4
61.98839	100.0
71.01391	4.4
72.01714	0.3
73.02956	1.6
74.17007	0.2
82.59105	0.2
85.02968	1.6
86.03402	0.2
87.00871	0.7
89.02450	6.6
90.02778	0.5
92.10129	0.3
92.10638	0.8
93.03459	1.7
96.96008	0.5
99.00887	2.6
100.01215	0.3
101.02425	2.5
102.02844	0.4
107.67870	0.3
109.02931	0.3
111.04538	0.3
113.02431	1.1
116.92903	2.6
117.46719	0.3
117.92883	1.0
119.03506	0.4
120.99655	0.7
121.02956	0.4
125.02430	0.6
131.03493	0.5
133.02979	0.4
135.04497	0.4
149.04587	1.4
160.42865	0.3
161.02502	0.5
161.04520	0.3
173.04575	1.2
175.04083	0.3
179.05568	0.7
191.05640	4.1
192.05948	0.4
221.06619	0.3
351.07367	1.0
352.08069	0.4
578.21851	0.7
579.21527	2.1
580.22131	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	641.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65684	1.5
59.01387	28.2
59.02603	1.3
63.88307	1.6
70.08943	1.5
71.01378	19.1
73.02945	1.6
83.01402	1.6
85.02954	3.6
86.04052	1.6
89.02440	12.7
92.66370	1.8
96.96020	9.2
99.00894	1.8
101.02460	12.3
113.02463	7.7
119.03527	2.3
123.21831	1.7
133.03004	1.8
149.06076	2.3
156.89301	1.5
161.05992	3.0
177.05627	2.3
189.05569	20.8
191.05627	2.5
221.04518	2.3
282.88342	1.5
311.07593	2.0
385.14609	1.9
401.25342	1.7
405.77478	1.9
443.19299	100.0
641.22540	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58928	0.4
55.01896	2.1
57.03465	1.2
57.51353	0.4
58.00590	0.7
59.01391	35.8
67.01497	0.5
67.58194	0.5
71.01385	19.2
72.99323	1.1
73.02602	0.4
73.02948	4.1
75.00875	0.7
79.16667	0.5
83.01400	2.3
85.02940	7.5
85.10232	0.5
86.00112	0.8
86.27861	0.6
87.00886	3.7
89.02445	13.1
93.03473	3.4
95.01391	0.9
99.00889	2.5
101.02452	10.5
111.86957	0.7
113.02464	6.0
116.92884	1.3
119.03522	4.1
121.02961	2.4
123.00875	7.1
124.01711	2.3
125.02430	0.6
135.04536	13.3
137.02463	4.4
138.03253	17.2
139.04021	3.9
153.05598	11.9
155.10815	2.6
159.04466	1.0
175.04099	0.7
187.04010	3.6
188.04765	0.7
189.05574	1.0
191.05623	3.2
191.07178	0.7
199.09764	0.5
202.06325	3.9
203.07126	1.3
205.05075	0.7
206.05852	1.0
221.08270	2.2
233.08263	3.8
293.52979	0.6
295.05911	0.7
307.06091	0.7
313.07214	3.0
325.07239	1.1
326.07874	0.7
327.08728	2.3
329.06793	0.9
340.09604	2.3
341.10297	2.1
343.08237	1.2
343.11877	0.8
344.09045	3.2
355.11975	3.8
356.08868	1.7
358.10703	8.4
359.11346	9.5
371.11429	8.9
373.12961	14.1
386.13742	1.3
389.12372	5.9
401.16339	1.1
404.14825	11.9
405.15485	2.6
419.17282	16.3
479.21210	1.3
566.20374	2.1
581.22540	100.0
582.22888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.2
57.03448	4.1
58.00613	1.2
58.03863	0.5
59.01387	32.5
66.05739	0.4
66.17761	0.4
69.03469	2.1
71.01382	41.9
72.99323	3.1
73.02947	19.1
75.00892	3.5
82.96001	0.5
83.01397	7.3
85.02956	22.4
85.03464	0.9
87.00899	2.7
88.98892	0.5
89.02448	17.9
89.49754	0.5
90.78059	0.5
92.10799	1.3
95.01380	3.8
97.02945	2.9
99.00886	9.1
101.01788	1.1
101.02447	27.5
111.00890	3.2
113.02448	14.5
115.04017	1.0
116.92874	4.2
119.03517	2.4
125.02456	3.0
131.03510	1.0
143.03482	1.2
144.13763	0.5
146.27605	0.6
149.04488	1.0
159.02962	2.1
161.04558	3.5
191.05623	0.8
293.08795	0.8
298.77310	0.5
299.25858	0.6
310.75894	0.6
345.30118	3.8
452.37933	0.6
468.40778	0.5
491.46225	0.6
507.35507	14.5
579.30212	0.7
621.94440	0.6
639.39777	100.0
640.39545	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	639.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06115	1.5
54.75007	1.2
55.01897	3.8
56.91500	1.3
57.03464	3.2
59.01393	41.7
60.99316	15.8
61.98842	18.3
62.05160	1.2
67.32091	1.3
69.03475	2.1
71.01386	38.7
72.99316	2.9
73.02960	15.5
79.95759	2.3
83.01422	8.4
85.02950	17.7
87.00890	6.6
88.98805	66.1
89.02443	33.1
95.97878	1.5
96.96015	14.2
97.02949	2.8
99.00867	11.9
101.02441	31.7
105.01968	6.9
113.02454	15.8
117.71423	1.6
119.03501	1.6
121.02987	2.5
125.02460	3.0
131.03502	1.9
161.04591	3.8
191.05609	1.9
203.33014	1.6
204.12025	1.7
211.17133	2.8
241.00316	2.1
277.38867	1.5
345.30182	8.8
507.35364	18.3
557.24463	23.5
579.34644	2.1
639.39819	100.0
640.40277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.8
55.11469	0.7
57.03446	3.4
57.41209	0.6
59.01387	55.1
60.01733	0.9
61.01793	1.1
61.18822	0.6
61.98836	22.3
65.74334	0.7
68.90884	0.7
69.03468	1.3
71.01384	37.3
72.99320	3.3
73.02946	17.4
83.01398	6.7
85.02956	19.0
87.00892	3.0
88.98800	1.2
89.02441	19.0
95.01410	1.6
97.02940	1.8
99.00874	10.7
101.02440	31.4
111.00883	4.4
113.02451	12.7
115.04008	1.7
119.03521	2.9
125.02474	5.7
131.03519	1.5
136.05150	0.8
140.14955	0.7
149.04570	1.2
159.02916	1.2
161.04523	3.1
191.05566	1.4
199.98582	0.8
212.53668	0.9
233.06659	1.0
297.24405	1.2
299.25842	0.8
345.30209	5.5
500.27466	1.5
501.27734	9.0
507.35434	18.9
579.32910	1.0
639.39746	100.0
640.39868	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	639.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54848	18.5
50.97309	16.0
61.98843	100.0
68.08522	19.0
74.55466	19.8
81.74125	18.1
87.04549	17.9
87.12556	16.0
114.16078	21.1
137.77913	16.1
358.79913	19.0
392.86169	19.6
475.57684	21.3
527.13843	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70478	0.4
51.38744	0.4
54.82787	0.5
55.01890	8.7
57.03459	4.7
58.00603	2.6
59.01387	85.1
60.99294	0.7
69.03447	0.5
71.01382	77.4
72.99323	3.2
73.02943	17.6
75.00892	1.0
83.01387	13.6
85.02446	1.2
85.02956	32.9
86.00112	0.7
87.00880	6.8
88.98806	1.9
89.02446	46.6
94.91424	0.6
95.01401	9.1
97.02959	2.3
99.00874	8.0
101.02444	52.6
113.02454	35.6
113.03255	1.1
119.03493	17.3
125.02434	3.1
131.03502	6.9
138.10672	0.6
143.03508	4.6
146.30188	0.5
149.04681	0.8
159.03023	4.5
161.04579	20.6
168.04810	0.6
174.68307	0.6
179.05641	15.3
221.06732	15.2
263.07800	6.5
348.59702	0.7
376.44580	0.6
472.66003	0.7
477.28516	4.9
613.61023	0.6
639.33942	100.0
640.34540	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80219	0.5
53.08079	0.5
55.01889	5.5
57.03457	4.9
57.10954	0.6
58.00595	1.2
59.01389	28.2
59.39466	0.6
61.30167	0.8
61.98838	3.6
64.34165	0.7
69.03468	1.5
71.01385	37.0
71.01777	1.5
72.48364	0.7
72.99323	2.9
73.02949	15.8
75.00864	1.0
83.01396	7.3
85.02956	20.4
86.00113	1.1
87.00894	3.1
88.98820	4.8
89.02441	15.4
95.01400	1.7
97.02966	1.5
99.00872	8.7
101.02453	30.7
101.03098	1.3
110.07878	0.6
111.00896	4.9
113.02460	11.4
115.04036	1.6
125.02441	3.0
129.01981	0.8
131.03528	1.6
143.03595	0.9
149.04553	1.2
159.02959	2.7
161.02551	0.8
161.04594	3.4
171.14014	0.7
191.05632	1.5
299.26047	2.9
345.30237	6.7
420.87930	0.8
468.39044	0.9
507.35495	20.2
561.29333	2.9
628.69128	0.9
635.51300	0.7
636.97955	0.8
639.39795	100.0
640.39966	1.0
664.53516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.0
57.03458	1.4
59.01386	81.4
61.98829	1.6
63.11073	1.0
71.01381	16.9
73.02950	5.3
74.62025	1.3
77.26598	0.9
83.01409	4.0
83.96736	1.0
85.02950	9.5
86.63257	0.9
87.00899	2.2
89.02454	6.5
95.01343	1.5
99.00893	3.7
101.02419	15.5
110.25783	1.0
113.02456	9.2
115.86530	1.1
116.92867	8.1
119.03502	1.9
120.99653	2.0
135.04494	2.0
142.65305	1.0
145.02979	1.4
147.29381	1.1
161.04561	4.1
170.16365	1.0
191.05663	4.1
225.09177	1.5
265.88220	1.2
353.21323	19.6
436.03244	1.0
447.26199	1.5
486.33411	1.2
515.26599	100.0
516.26428	1.3
533.27747	44.9
534.27985	1.6
579.29022	11.6
593.29572	16.0
639.30505	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	639.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10776	0.6
50.58041	0.6
50.58960	0.5
55.01883	1.2
57.03467	1.8
58.00609	1.5
59.01392	32.4
62.04190	0.9
65.85455	0.8
69.03465	3.9
71.01389	31.7
71.22480	0.7
72.99323	1.2
73.02950	16.8
75.00891	3.4
81.03464	1.7
83.01393	3.5
85.02953	13.6
87.00880	64.2
88.98813	1.5
89.02448	34.9
93.03471	1.2
95.01389	3.4
95.05042	1.1
97.02944	4.2
97.06596	4.0
99.00884	13.8
99.04533	1.3
101.02441	14.5
109.02955	0.9
111.00851	1.8
113.02478	7.7
115.04021	5.9
116.92838	3.6
121.02995	5.7
121.84329	0.7
123.00908	1.1
123.08157	11.8
125.02408	6.3
129.01950	1.1
131.03519	3.2
135.08127	1.5
137.02435	1.8
141.01920	7.1
143.03464	1.4
149.04576	4.2
151.00314	1.1
151.04013	0.9
155.10899	1.1
159.02971	1.3
166.02740	9.7
173.04579	0.9
177.02002	1.0
179.03546	0.9
181.05003	8.3
191.05617	5.4
193.28204	0.7
195.81372	0.8
233.06685	5.2
269.19299	1.8
279.08600	1.0
287.20197	12.7
291.07233	5.7
293.08868	3.0
329.21381	1.3
344.19955	9.8
345.20779	28.6
347.22318	5.0
357.20950	2.9
371.22131	1.5
387.10858	3.7
399.21844	3.9
402.13281	3.0
417.15659	12.1
417.22546	7.9
507.25613	5.6
533.87695	0.9
639.30298	100.0
640.30670	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	639.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04370	0.5
56.73556	0.5
59.01385	19.3
61.98847	1.0
65.79626	0.4
71.01382	7.4
73.02953	2.2
79.52866	0.5
81.03438	0.7
83.01405	0.8
85.02959	3.3
87.00895	0.6
88.98829	0.8
89.02438	3.8
92.10101	1.0
93.03477	2.2
95.01425	0.6
96.96008	1.3
99.00879	1.2
101.02440	5.4
109.02984	2.6
113.02461	2.4
116.92864	3.0
118.98077	1.0
120.99614	0.6
121.02966	1.1
123.00877	1.3
125.02480	2.4
134.03709	0.9
135.04546	7.7
137.02451	11.5
138.03273	0.6
139.04018	0.7
149.02463	2.7
149.06081	0.7
150.03221	0.7
151.00375	11.0
151.04008	3.3
152.01151	0.7
152.04753	0.8
153.05585	1.1
159.04417	0.6
160.01723	0.8
160.04022	2.7
161.02617	0.7
161.04819	16.3
162.05594	3.9
163.04027	1.3
164.03566	0.9
165.01939	0.8
165.05446	0.7
166.02715	46.5
167.03528	2.5
173.02469	0.7
173.04582	0.6
175.03999	2.2
176.04805	0.7
177.01929	3.3
177.05618	0.9
179.03461	2.0
181.05075	59.1
184.03743	0.7
189.05609	0.6
191.03619	0.9
191.05623	2.9
191.07204	0.8
192.02904	0.6
192.04428	0.8
193.03737	9.5
193.05037	1.3
195.02991	0.7
197.04599	0.9
205.05124	0.9
207.06613	1.2
239.05489	0.9
239.61577	0.5
240.19885	0.6
283.10892	27.4
299.09406	0.7
311.05646	2.1
311.09433	2.3
326.08017	1.1
326.11478	1.0
327.08786	3.1
341.10245	5.7
342.11035	2.0
356.12759	5.2
357.13522	3.1
359.11438	3.0
387.10831	19.4
387.14612	1.4
402.13147	14.6
417.15625	100.0
418.15768	1.1
431.22443	0.8
503.14130	2.3
549.16187	0.9
566.88782	0.6
579.29858	2.6
633.33197	0.7
639.22021	1.0
639.31885	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11301	0.8
54.82504	0.9
59.01389	22.9
61.98839	1.2
71.01392	11.9
72.53670	1.0
73.02965	2.2
74.99078	1.3
75.00876	1.3
83.01423	1.1
83.81743	1.0
85.02976	5.2
87.00920	1.0
88.98820	1.2
89.02441	7.5
93.03483	4.3
95.01419	1.6
96.96030	1.8
99.00882	2.4
100.01677	1.2
101.02455	5.8
109.02951	3.7
113.02450	4.3
116.92997	1.0
118.98121	2.0
120.99686	1.7
121.02950	1.5
123.00866	1.5
125.02455	1.7
133.02988	1.6
134.03697	7.2
135.04526	8.6
136.99129	1.0
137.02457	12.2
139.00386	1.2
145.02951	1.1
148.62010	0.9
149.02443	2.4
149.06073	1.2
150.03291	1.7
151.00392	10.9
151.03999	5.1
153.01933	1.0
153.05638	1.0
159.02998	1.0
160.01698	4.6
160.04060	5.2
161.04843	45.7
162.05630	9.2
163.03975	1.9
164.03499	4.2
165.01880	1.2
166.02734	45.6
167.03493	4.0
175.02692	2.2
175.04021	6.3
176.04782	1.7
177.01978	3.7
179.03545	2.5
181.05096	60.3
190.06529	1.2
191.05614	6.9
191.07149	1.8
192.03049	4.6
193.03798	33.3
207.06619	1.2
228.82558	1.0
235.06172	1.7
283.10938	83.9
311.05832	1.3
326.08032	1.5
327.08954	1.8
341.10291	6.8
342.11194	2.0
356.12656	5.6
357.09503	1.3
357.13577	2.3
359.11420	1.3
387.10834	19.0
402.13226	13.1
417.15668	100.0
418.15894	1.7
579.30096	6.9
639.24042	5.7
639.32983	1.5
663.71991	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	638.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13281	0.1
59.01393	3.1
60.01729	0.3
61.98841	100.0
62.24850	0.1
64.07039	0.1
64.07409	0.1
65.27625	0.1
70.45773	0.1
78.82310	0.1
92.10209	0.1
103.26692	0.1
174.67325	0.2
196.71922	0.1
380.51077	0.1
402.36984	0.1
492.67117	0.2
499.29697	0.2
500.29968	0.2
559.07104	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	638.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
61.98836	100.0
92.84620	0.8
96.74694	0.8
139.85912	0.6
162.06343	0.7
175.63638	0.8
267.63351	0.8
462.76071	0.8
465.05847	0.8
590.24304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42157	0.2
59.01387	53.0
60.01722	6.0
61.01814	4.9
61.98835	100.0
62.02156	0.3
73.54488	0.2
76.94153	0.3
83.21147	0.2
119.84732	0.4
136.11656	0.2
138.43022	0.2
166.56383	0.3
369.83551	0.3
497.28375	0.6
498.29556	4.4
499.29874	6.2
500.30093	7.3
517.29755	0.4
518.30304	0.7
598.36102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59619	0.1
59.01387	5.5
60.01715	0.7
61.01822	0.3
61.98833	100.0
72.05627	0.2
107.30673	0.2
144.78700	0.2
216.06444	0.2
239.97375	0.2
498.29648	0.2
499.29932	0.7
500.30197	1.0
575.98602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14809	0.1
51.31277	0.1
54.87170	0.1
59.01387	19.2
60.01724	2.1
61.01805	1.6
61.02064	0.1
61.98835	100.0
92.10838	0.2
95.05369	0.1
103.00387	0.1
107.19175	0.1
114.83469	0.1
138.09923	0.1
184.85753	0.1
260.96170	0.1
317.84360	0.1
333.70767	0.1
358.72226	0.2
456.39771	0.2
497.28699	0.5
498.29663	1.2
499.29825	2.2
500.30060	2.0
517.31024	0.3
518.31152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80089	0.3
55.01891	0.4
58.00619	0.3
59.01388	100.0
60.79894	0.3
61.98854	0.4
69.03468	0.7
71.01385	6.9
73.02937	3.0
76.31573	0.3
83.01406	1.6
85.02956	4.9
87.00887	0.5
89.02441	3.9
92.72786	0.4
93.03442	0.5
95.01404	0.7
97.02939	0.4
99.00890	1.6
101.02458	5.1
109.02969	0.4
113.02473	3.3
131.03470	0.5
134.03804	0.7
137.02432	0.5
149.33990	0.5
160.01743	0.5
161.04587	0.5
172.22212	0.4
175.04060	0.5
191.05534	0.7
217.11719	0.5
222.10022	0.4
225.09308	0.9
235.44598	0.4
312.81702	0.5
337.18158	0.6
353.21378	3.9
483.24228	0.5
499.27151	35.2
505.33942	2.0
517.28162	10.1
577.30194	3.4
601.24957	0.6
637.38275	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	637.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.7
56.29888	0.5
56.33208	0.5
57.03468	2.8
58.52537	0.5
59.01384	34.5
69.01480	0.4
71.01381	44.5
72.99322	1.2
73.02946	17.7
75.00890	0.7
83.01382	7.8
85.02953	21.4
85.03457	0.8
86.00114	1.1
87.00895	2.6
88.09922	0.4
89.02442	20.8
92.10862	0.8
95.01408	3.1
97.02959	2.7
99.00870	8.4
101.02442	27.0
111.00897	3.2
113.02452	14.8
115.04014	1.2
119.03484	2.5
121.10226	3.2
125.02483	3.9
129.01854	0.7
131.03506	2.5
135.95979	0.5
149.04555	1.1
159.03009	2.1
161.04561	3.5
185.15524	1.3
187.08519	0.6
233.06558	0.6
327.33633	0.5
343.28729	0.8
376.41101	0.5
487.32956	0.7
505.33963	17.3
505.40845	1.0
637.38165	100.0
638.38538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.1
59.01717	0.3
59.82438	0.5
60.55632	0.4
61.98842	100.0
71.49246	0.4
76.23609	0.4
88.17388	0.5
94.66364	0.4
103.21658	0.5
121.02959	1.8
209.70364	0.5
234.71410	0.4
657.02985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57329	0.2
52.74042	0.2
56.45667	0.2
57.66310	0.2
59.01389	34.3
60.01720	4.5
60.51622	0.2
61.01814	3.4
61.98837	100.0
62.27039	0.2
79.94781	0.2
83.05035	0.5
100.22781	0.2
103.61246	0.2
114.39061	0.2
127.21196	0.2
136.04245	0.2
155.25310	0.2
198.11858	0.2
225.09018	0.2
226.09570	0.3
279.31293	0.2
338.18454	0.3
484.27228	0.3
497.29367	1.4
498.29547	4.8
499.29742	7.9
500.30170	8.7
516.30231	0.2
517.31329	0.3
518.31055	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	637.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.3
57.22881	1.2
59.01384	100.0
71.01381	32.6
71.07643	1.2
71.91019	1.3
73.02961	11.7
78.39154	1.3
83.01400	6.0
83.05059	1.6
85.02940	22.3
87.00881	3.2
88.98808	2.0
89.02449	19.5
95.01385	2.1
97.02957	2.1
97.06621	5.4
99.00886	6.8
99.04530	1.4
101.02441	28.3
109.02970	1.6
111.00860	2.0
113.02431	12.4
115.04034	1.6
119.03536	2.0
125.02452	3.0
131.03484	2.0
142.46249	1.3
160.54814	1.3
161.04555	3.0
191.05635	1.4
226.93156	1.5
227.20128	1.9
341.23581	1.8
349.07443	1.3
436.10138	1.4
487.33270	1.4
505.34128	12.5
513.28613	70.8
521.30005	1.7
531.29663	12.8
591.32928	1.5
637.38257	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.5
57.03444	19.3
59.01385	33.2
66.54160	0.9
67.01901	1.2
68.99836	0.9
71.01392	1.3
75.54062	1.0
81.03451	1.1
83.01399	9.7
83.05048	5.3
84.02162	7.3
85.02952	100.0
89.72681	1.1
93.03456	2.5
95.01406	5.4
97.02960	5.4
99.53505	1.1
109.02970	1.1
111.04532	4.3
118.44222	1.1
128.77869	1.2
130.18724	1.0
137.06088	1.7
138.57944	1.2
139.03989	2.5
161.06113	11.5
163.04013	1.2
175.07584	2.6
247.17133	1.2
328.21356	1.1
351.19543	8.0
505.32025	7.2
513.28638	63.6
529.31598	1.3
531.29706	22.0
547.33423	14.0
549.30780	34.4
555.29871	1.6
573.30707	15.1
591.31866	81.3
592.32007	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
55.09369	0.3
57.03434	0.3
59.01385	100.0
60.77600	0.3
60.99319	0.3
61.98840	0.4
71.01379	4.5
73.02942	2.9
74.68474	0.3
83.01402	0.7
85.02951	3.4
88.98801	1.6
88.99337	0.3
89.02433	2.1
95.01396	1.5
97.02932	0.4
99.00904	1.1
101.02430	3.2
111.00875	0.5
113.02454	1.4
121.45947	0.3
135.04469	0.3
191.05608	0.5
225.09235	2.7
278.12445	0.3
325.21738	0.3
337.18228	2.7
353.21249	9.1
483.24072	0.6
499.27133	48.8
500.27689	0.6
505.33966	1.7
517.28174	8.8
533.28003	0.5
577.30725	3.7
637.38232	9.2
651.94385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.4
57.03464	1.8
57.35950	0.4
58.00605	2.2
59.01392	77.3
60.35947	0.4
69.03480	0.5
69.27034	0.5
71.01389	63.5
72.99313	2.8
73.02953	22.6
78.79401	0.4
82.20244	0.4
82.22665	0.4
83.01417	4.3
85.02960	13.5
87.00881	4.8
89.02448	100.0
92.10114	0.4
93.37659	0.3
95.01382	3.5
96.96008	0.5
97.02943	2.9
99.00884	36.5
99.92612	0.4
101.02444	46.3
111.00980	0.4
113.02456	19.0
115.04008	0.5
116.45456	0.4
116.92864	10.0
117.92886	0.8
118.92699	0.7
118.98089	0.7
119.03499	14.4
125.02448	9.8
131.03511	15.9
143.03493	3.0
145.41032	0.4
149.04564	25.2
149.69759	0.4
159.02965	1.4
161.04568	11.6
172.62126	0.4
174.38103	0.4
179.05630	17.0
191.05634	11.8
196.77544	0.4
221.06708	8.6
251.07744	2.9
263.07797	3.4
274.15375	0.4
275.07684	2.8
293.08829	2.3
352.04166	0.5
393.54581	0.4
403.48468	0.5
415.16208	10.1
445.17175	4.1
577.21478	96.6
578.21954	2.6
656.99805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	100.0
61.98832	27.1
62.48146	5.5
71.01399	26.6
73.02920	7.1
73.71178	5.6
85.02946	11.4
89.02452	14.4
91.23985	6.0
101.02460	7.3
112.33173	6.0
113.02450	7.7
119.04975	8.6
179.03625	6.8
191.05672	29.1
199.83000	7.0
216.93864	6.3
353.21313	6.8
402.75800	6.8
515.26447	78.3
533.27618	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.1
59.66669	0.2
71.01389	0.8
73.02960	1.6
75.51421	0.2
85.02938	0.2
88.37100	0.2
89.02460	0.7
96.96036	0.9
99.00887	0.9
99.92589	7.4
101.02445	0.4
116.92865	100.0
117.01946	1.7
117.92868	1.6
118.92724	0.2
118.98104	0.2
120.99652	1.0
121.03012	0.3
153.17659	0.2
156.70483	0.2
191.05632	0.8
265.07291	0.3
268.70932	0.2
344.42294	0.2
441.20609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29358	1.2
56.07531	1.2
56.37148	1.4
59.01387	100.0
59.02807	1.4
71.01382	1.9
84.42365	1.7
88.11327	1.7
89.02462	1.6
92.66206	1.7
104.36224	1.6
114.39854	1.8
243.33983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97021	0.3
59.01385	5.3
61.98858	0.3
64.77591	0.3
68.24812	0.3
86.78934	0.4
92.22778	0.3
96.72761	0.3
116.92886	0.5
119.05033	7.2
120.05331	0.5
120.39891	0.3
121.02956	100.0
162.83942	0.7
163.03993	1.6
180.94070	0.4
181.05081	33.4
230.59735	0.4
337.17581	0.4
407.33368	0.9
419.50787	0.5
453.33835	17.1
471.34885	2.0
553.35461	2.2
624.27075	0.4
635.19696	0.6
635.30096	1.2
635.39575	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	635.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01386	100.0
60.36255	0.7
61.98829	1.4
66.90752	1.0
67.01884	5.9
67.58733	0.7
67.67066	0.8
68.91872	0.8
71.40152	0.9
81.03471	5.7
83.01383	1.6
83.05029	11.2
90.86655	0.8
93.03468	3.4
95.01414	7.0
97.02950	1.8
99.92616	0.8
109.02950	1.3
111.04544	4.4
116.92899	11.4
117.03476	5.1
117.38216	0.8
119.05036	43.4
121.02965	1.8
122.03773	0.9
132.90379	0.9
137.02417	1.0
138.03246	1.8
139.04021	2.0
145.02960	9.0
160.84163	1.3
162.83946	1.0
163.04025	45.9
225.09253	1.6
337.18167	1.6
400.53000	0.9
457.74103	1.0
471.34818	6.4
489.27859	0.9
497.29199	38.5
513.29163	1.0
515.30054	9.4
531.29480	16.2
557.31342	13.2
575.23041	1.0
575.32343	49.1
635.39722	54.3
636.39948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99578	0.3
55.77593	0.3
56.17525	0.5
59.01389	100.0
64.34107	0.4
78.21678	0.3
83.05026	0.8
85.02932	0.5
116.92848	2.7
117.92852	0.9
118.92662	0.8
155.49312	0.4
173.78003	0.4
181.63524	0.4
225.09238	0.7
337.18170	0.6
481.25732	1.6
497.29208	36.3
498.29623	0.6
515.30389	4.6
575.32214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.70375	0.2
66.06844	0.2
80.79539	0.2
83.05025	0.5
92.10110	0.5
95.01347	0.2
111.04557	0.3
119.03477	0.2
121.02973	0.2
225.09189	1.3
321.18420	0.3
391.23868	0.2
465.26608	0.3
481.25922	2.3
497.29193	30.9
498.29636	1.1
515.23041	0.3
515.30280	7.4
531.29266	0.3
575.32532	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	635.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.02816	0.3
63.09829	0.3
76.02191	0.3
77.66515	0.4
85.12556	0.4
88.87524	0.3
92.10912	0.6
179.24821	0.5
215.86082	0.4
225.09277	0.7
298.07886	0.4
322.70276	0.4
337.43631	0.5
460.18457	0.4
460.94342	0.4
481.26056	1.9
497.29190	27.9
515.30292	5.8
557.31708	0.7
575.32355	1.6
578.19031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.93443	0.4
69.02133	0.3
82.65997	0.3
83.05042	0.5
84.42767	0.3
85.02946	0.4
85.97035	0.3
106.07781	0.4
172.04225	0.3
218.70032	0.3
225.09241	0.8
337.18158	0.7
340.46906	0.4
481.26102	0.6
497.29190	34.3
515.30316	4.3
525.72076	0.4
531.29858	0.4
575.32520	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	635.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69553	0.4
59.01395	100.0
77.08502	0.4
96.44522	0.5
98.73257	0.4
108.72466	0.4
117.53475	0.5
118.77697	0.4
190.50200	0.5
225.09274	1.8
235.24420	0.4
337.18280	0.8
456.98743	0.4
481.26001	0.7
497.29202	37.1
510.30505	0.5
515.30353	4.5
575.32318	0.8
652.58331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
67.01881	0.4
81.03481	0.5
83.05045	1.7
92.10787	0.8
95.65421	0.4
102.91766	0.3
107.39640	0.4
111.04528	0.7
132.86147	0.4
145.08121	0.4
225.09326	3.4
337.18280	2.0
353.21158	0.8
481.26001	2.8
497.29221	57.3
515.30060	6.3
531.30023	0.8
553.77521	0.4
575.32214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	3.6
59.01391	56.1
61.98849	9.1
71.01387	52.6
73.02933	18.9
75.99735	2.2
83.01423	3.6
83.05016	18.5
83.48291	2.1
84.95138	4.5
85.02974	21.4
85.89726	2.3
87.00893	3.9
89.02446	59.0
97.02957	5.6
99.00891	19.2
101.02430	21.0
113.02493	12.1
115.04033	3.4
116.92900	13.5
125.02478	16.5
131.03471	2.7
149.04517	4.2
163.11320	2.7
191.05626	11.7
203.39561	2.8
233.06696	10.4
245.15428	2.4
293.08789	20.1
377.39877	2.6
385.92236	2.8
575.27203	100.0
629.88818	2.8
635.36243	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	635.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	3.6
59.01391	56.1
61.98849	9.1
71.01387	52.6
73.02933	18.9
75.99735	2.2
83.01423	3.6
83.05016	18.5
83.48291	2.1
84.95138	4.5
85.02974	21.4
85.89726	2.3
87.00893	3.9
89.02446	59.0
97.02957	5.6
99.00891	19.2
101.02430	21.0
113.02493	12.1
115.04033	3.4
116.92900	13.5
125.02478	16.5
131.03471	2.7
149.04517	4.2
163.11320	2.7
191.05626	11.7
203.39561	2.8
233.06696	10.4
245.15428	2.4
293.08789	20.1
377.39877	2.6
385.92236	2.8
575.27203	100.0
629.88818	2.8
635.36243	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	635.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48567	0.2
55.32545	0.2
57.03450	1.6
59.01385	27.1
62.18716	0.2
62.55517	0.2
70.40319	0.3
71.01382	11.9
72.99304	0.4
73.02975	0.6
83.01385	0.6
85.02448	0.7
85.02955	14.4
85.03464	0.6
87.00877	0.5
87.04484	0.4
89.02442	17.9
91.27102	0.3
93.62505	0.3
95.01376	0.5
96.96006	2.8
99.04511	0.4
101.02447	11.3
101.03106	0.6
103.04015	24.1
109.02969	0.5
111.00900	0.4
113.02462	6.4
116.92862	0.4
117.05595	1.2
119.03507	8.2
119.98385	0.3
135.04514	0.3
143.03540	0.4
145.05095	0.5
161.04553	0.4
179.05661	1.1
191.05635	0.5
226.71945	0.3
249.32648	0.3
265.09314	100.0
266.09631	0.5
309.12085	0.5
349.52737	0.3
624.00500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35728	0.7
57.18737	0.7
58.00601	1.8
59.01390	70.6
61.98851	1.2
62.12775	1.0
63.90831	0.8
68.99589	1.9
69.03468	1.1
71.01388	46.4
72.99295	1.2
73.02953	20.5
73.68430	0.9
74.99118	1.1
82.66669	0.9
83.01389	1.5
85.02952	6.9
87.00907	1.3
87.30067	0.9
88.98808	1.9
89.02449	100.0
93.03478	2.1
94.60721	0.9
96.96017	18.1
97.02914	1.4
99.00890	32.6
99.92580	2.2
101.02442	33.6
112.98584	1.6
113.02470	9.5
114.93453	1.4
116.92876	41.4
117.92879	1.4
118.98080	9.4
119.03504	2.3
121.02959	3.7
125.02461	4.9
131.03522	11.7
133.02896	1.0
134.03754	2.2
135.04520	4.1
143.03537	1.8
149.04573	45.6
150.03281	1.9
160.01704	4.1
161.02489	1.7
161.04619	3.4
165.01897	1.4
165.05592	2.1
167.93781	0.9
173.04617	1.5
175.03995	4.8
177.05605	1.0
180.04350	1.3
191.05620	21.9
192.04434	1.0
192.98399	1.1
195.06613	1.0
221.06705	5.8
251.07747	6.1
293.08841	2.0
311.09781	1.9
317.87555	0.9
459.72314	1.0
494.08774	1.1
545.26239	23.9
557.26282	3.8
599.26849	4.2
635.20453	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	635.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06882	0.9
53.96021	0.8
55.01882	1.3
59.01110	1.6
59.01390	33.7
59.01684	1.4
61.98839	2.3
71.01386	27.2
72.99335	1.7
73.02946	12.2
74.99104	22.0
78.27650	0.8
84.44293	0.9
85.02962	5.0
87.00894	1.9
89.02444	49.4
93.03460	2.2
96.96021	16.9
99.00883	19.1
99.92579	7.4
101.02439	16.9
113.02435	5.4
114.93412	4.4
116.92870	94.4
117.01923	1.8
118.98090	100.0
119.03390	1.1
121.02974	1.9
125.02466	1.7
127.00515	1.0
131.03487	2.4
134.03781	1.3
135.04559	7.5
137.02426	1.9
141.32932	0.9
142.68422	1.1
147.04475	1.1
149.04578	16.8
161.02432	6.4
161.04501	1.5
162.37527	1.0
170.48181	1.0
173.04552	1.8
177.05574	6.3
179.03485	2.2
191.04057	1.2
191.05664	17.3
195.06487	1.1
221.04744	1.3
221.06700	1.2
251.07813	1.7
258.05417	1.1
323.07767	1.3
447.18488	2.2
545.26141	6.8
573.20642	2.0
617.19122	2.5
635.20227	54.6
636.18817	1.2
649.14392	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	635.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95198	0.1
59.01389	0.2
78.95918	3.3
79.95746	1.9
96.96019	100.0
96.96905	4.7
119.05042	0.1
126.24213	0.1
127.36741	0.1
229.27657	0.1
233.82745	0.1
240.62770	0.1
308.14313	0.2
357.69949	0.1
388.36160	0.2
561.21442	0.2
628.92810	0.1
645.40259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26825	0.1
55.58874	0.1
56.73534	0.1
59.01383	0.2
77.81951	0.1
78.95901	2.8
79.95730	1.5
85.02954	0.1
89.02447	0.2
96.96009	100.0
96.96896	4.9
107.30332	0.1
121.02946	0.1
135.04478	0.1
160.01653	0.1
161.61839	0.1
175.04021	0.2
191.03612	0.1
191.05606	0.5
473.16858	0.2
538.49609	0.1
635.22260	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	635.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86673	0.1
55.67981	0.1
59.01387	0.7
65.93327	0.1
76.23486	0.1
78.95911	3.5
79.95741	1.4
96.36951	0.1
96.96016	100.0
96.96904	5.0
101.02435	0.1
114.38608	0.1
116.92834	0.2
119.05046	0.3
130.50996	0.1
163.04044	0.2
191.05658	0.2
199.29677	0.1
379.47949	0.2
475.43512	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	635.163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31444	0.3
59.01383	5.7
60.62968	0.3
67.01885	2.7
69.03477	0.4
71.01387	5.6
73.02950	2.5
74.99119	0.5
83.01403	0.3
85.02961	9.5
85.03461	0.5
87.00874	6.5
88.98830	0.5
89.02447	5.2
92.65752	0.4
93.03457	18.7
96.30779	0.3
96.96008	6.5
98.95596	0.5
99.00846	2.6
101.02468	2.3
101.70202	0.4
107.05033	0.4
109.02940	6.5
111.00904	0.6
111.04538	2.2
113.02490	0.6
114.93433	0.4
115.04029	0.5
116.92850	5.4
116.93438	0.3
118.98057	2.5
121.02971	0.5
125.02444	0.6
127.04026	2.1
129.01962	0.4
131.03526	0.5
131.05029	0.4
133.02968	15.6
134.03760	1.6
135.04533	40.0
137.02455	2.5
147.04538	1.5
149.02516	0.4
149.04610	1.7
149.06096	5.6
150.03250	0.5
155.03517	0.4
159.04576	1.9
161.02449	47.5
162.03223	2.1
163.04027	2.0
165.05544	1.7
173.04602	3.9
175.04018	1.9
177.01994	0.6
177.05580	28.4
179.03511	28.2
179.05135	0.6
191.05634	100.0
201.05583	0.4
203.03502	1.6
207.06708	0.6
217.05110	0.5
221.04575	9.3
221.06577	0.5
231.06673	1.4
233.04541	2.8
249.07695	1.6
267.08835	0.8
275.05753	0.7
293.06656	2.4
311.07748	4.8
318.93118	0.4
323.07797	8.1
353.08652	0.6
461.11011	1.3
473.12994	0.8
545.13293	4.2
545.25513	0.5
576.31329	0.4
617.15289	2.5
635.16272	44.1
636.16162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
64.46757	0.1
68.99561	0.2
71.01392	0.9
73.02942	1.3
85.02950	0.2
89.02448	0.6
96.96020	0.3
99.00906	0.8
99.92583	5.8
101.02454	0.3
114.39089	0.1
114.93430	2.8
115.00406	0.2
116.92862	100.0
117.01939	1.9
117.92873	1.2
118.98087	0.2
121.02910	0.2
139.05490	0.1
149.02542	0.1
165.01974	0.3
165.05598	0.2
180.04187	0.1
191.05658	0.3
195.06702	1.1
199.00758	0.2
202.25787	0.2
217.53568	0.2
272.15219	0.2
297.23547	0.2
450.16312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29718	0.4
54.07378	0.5
55.07458	0.5
59.01382	12.1
69.03474	0.7
71.01379	9.2
72.99335	0.7
73.02961	3.5
74.99098	1.1
79.27972	0.5
81.03433	0.6
83.01379	0.6
83.05048	0.8
85.02948	15.8
87.00904	3.3
87.83926	0.5
89.02442	9.9
93.03452	13.8
96.96004	1.3
99.00862	4.2
101.02436	5.5
108.02258	0.5
109.02994	2.9
111.00909	1.1
111.04546	2.3
113.02457	2.8
116.92864	20.4
118.98082	6.9
119.05096	0.6
127.04021	3.4
129.17824	0.6
131.03555	0.9
132.02229	1.0
133.02963	20.0
135.04517	19.7
135.05502	1.0
137.02451	14.3
147.04541	0.9
149.02472	0.8
149.04559	5.0
150.03333	0.6
151.04027	0.6
160.01646	1.0
161.02454	100.0
163.03973	0.7
171.02986	1.0
173.04584	3.7
174.03343	0.6
175.03957	0.8
177.00487	0.8
177.05605	4.0
179.03499	6.8
190.88660	0.6
191.05632	98.0
192.06085	0.9
211.07880	0.6
221.04568	7.5
221.06573	0.8
233.04587	0.6
255.06590	2.4
255.49019	0.6
262.08060	0.6
281.06738	9.9
298.21100	0.7
323.07733	3.5
356.45029	0.6
417.11902	1.1
443.09894	51.2
456.10266	0.7
545.26117	0.8
635.15869	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	635.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.7
60.99321	0.7
61.98843	2.7
67.01911	2.3
69.03471	0.7
69.79943	0.5
71.01375	4.7
72.99315	0.5
73.02956	2.1
73.23892	0.4
79.15243	0.5
81.03474	0.9
83.01402	0.5
83.05058	0.7
85.02951	10.5
85.03392	0.6
87.00868	6.8
87.01275	0.4
88.98845	0.8
89.02451	5.1
93.03455	20.8
96.96012	4.4
99.00871	1.2
99.92645	0.9
101.02448	2.9
109.02972	1.6
111.04554	3.5
112.92207	0.5
113.02448	1.2
116.92849	13.9
118.41175	0.5
119.03443	0.5
119.05031	0.7
121.26490	0.5
125.02491	0.9
127.04041	2.6
127.43230	0.5
131.03505	0.7
133.02953	4.4
134.03741	1.1
135.04527	33.9
137.02431	4.5
143.03555	0.6
149.02525	0.7
149.04594	0.6
149.06012	0.7
150.03247	4.7
151.04041	0.5
153.02003	0.6
161.02458	22.9
163.04092	0.6
165.01901	0.6
165.05577	4.3
173.04564	5.2
175.04025	1.1
179.03516	21.8
180.04170	0.8
181.05183	0.9
187.10406	0.5
191.05641	100.0
195.06673	2.2
221.04530	2.0
241.04938	0.7
256.96811	0.5
271.09753	0.6
281.06729	3.2
325.82007	0.5
334.52402	0.6
347.42996	0.6
353.08859	2.2
372.67297	0.6
443.09909	6.6
461.11014	0.6
474.18109	0.6
515.14178	1.9
575.28967	0.5
635.16272	33.2
635.26215	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	633.3809
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
54.82740	1.5
54.91255	1.2
59.01391	3.3
68.99598	2.1
79.99248	1.4
99.90063	1.4
114.93398	10.2
115.04006	2.0
116.92867	9.6
117.03494	7.3
119.05034	93.0
121.02995	2.4
145.02959	10.3
163.04025	75.3
405.31958	1.9
469.33105	16.9
476.74487	1.5
570.84052	1.6
633.38141	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	634.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31945	8.7
54.82862	10.0
59.01396	45.8
61.98845	18.2
85.02958	100.0
85.37756	11.2
103.19021	12.1
227.36334	11.9
279.16464	12.2
337.13342	11.8
513.28754	25.2
549.30695	26.0
591.31818	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87434	0.3
57.03463	0.5
59.01380	4.5
60.99304	0.6
61.98856	0.3
67.01886	2.5
69.03461	0.4
71.01376	4.9
73.02965	1.4
74.13612	0.3
81.03477	0.6
85.02956	7.8
87.00867	5.2
88.98814	0.4
89.02448	4.0
93.03454	20.5
96.96008	6.7
99.00915	0.5
101.02441	1.7
109.02972	1.8
111.00926	0.3
111.04530	3.0
113.02526	0.5
116.92860	6.1
119.03495	0.3
119.05083	0.3
121.03005	0.4
126.82317	0.3
127.04031	2.6
129.01955	0.5
132.02138	0.4
133.02968	6.4
134.03781	0.6
135.04526	28.1
137.02440	4.2
149.04570	0.4
149.06120	1.2
155.03545	0.7
161.02452	17.8
163.04068	0.4
165.05627	0.5
171.03032	0.4
171.17555	0.3
173.04523	5.0
175.03979	0.5
177.05589	8.2
179.03511	22.8
191.05629	100.0
192.05974	0.5
221.04640	3.1
233.04633	0.3
281.06735	0.7
293.06454	0.5
311.07770	0.7
323.07751	3.0
353.08850	2.3
461.10999	1.4
478.50882	0.4
535.51398	0.4
545.13025	1.6
545.25958	0.5
575.26611	0.6
617.15417	0.5
635.16254	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	633.3809
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
51.54512	0.3
77.97279	0.3
107.05048	2.1
117.03486	0.5
133.02048	0.4
133.02991	6.9
134.03767	8.5
135.04541	84.5
137.02495	0.5
147.04515	3.0
148.05333	14.3
148.16539	0.3
152.27008	0.4
161.02473	17.0
178.02734	0.5
179.03526	54.1
191.03522	0.8
228.60193	0.4
278.80997	0.4
337.43729	0.4
380.78198	0.4
391.29938	0.5
403.95883	0.4
439.05310	0.4
443.20520	0.4
453.33838	8.1
506.67474	0.4
551.02673	0.4
633.38116	100.0
634.38672	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	633.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07652	0.6
54.82982	0.7
74.36024	0.8
92.10851	0.9
107.05038	1.5
119.05067	1.3
121.02951	1.1
126.85918	0.8
133.02989	8.2
134.03740	8.6
135.04533	84.0
147.04486	1.1
148.05321	11.8
152.91393	0.9
161.02473	19.3
163.03983	2.1
179.03505	54.5
453.33878	6.8
471.36432	1.0
633.38135	100.0
634.38287	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	633.3808
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.38098	0.5
59.01389	1.4
59.41135	0.6
61.98857	0.5
64.56297	0.6
73.65133	0.5
85.86784	0.6
90.99706	0.5
92.10741	1.2
93.03450	0.7
97.39704	0.7
107.05090	0.7
112.39611	0.6
117.03480	6.5
119.05035	85.8
121.03016	0.9
132.05766	2.3
134.03738	2.3
135.04517	3.3
145.02966	15.6
145.04037	0.6
163.04030	100.0
165.05545	0.8
175.03954	0.8
185.25464	0.6
411.28604	0.8
451.32233	3.6
469.33270	7.5
495.27631	2.1
564.19519	0.7
589.39160	5.7
615.36743	5.7
633.38129	74.8
634.37982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62772	0.5
57.03465	2.3
58.81369	0.4
59.01389	100.0
60.58089	0.5
63.38200	0.5
84.02208	0.5
85.02953	11.8
89.07681	0.6
89.65655	0.6
93.03454	0.8
95.01305	0.6
101.81386	0.5
116.92904	2.0
242.90976	0.6
254.49902	0.5
254.91530	0.5
263.10770	0.8
277.38461	0.6
333.18683	2.3
388.00763	0.6
479.24478	2.4
480.25082	5.5
495.27637	34.0
513.28619	10.3
573.31055	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	633.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64603	0.5
56.57726	0.6
59.01394	100.0
61.18819	0.6
68.61716	0.7
81.98656	0.5
83.05049	0.7
84.02209	1.1
85.02978	4.8
91.41845	0.6
93.03466	0.8
110.18502	0.6
116.92859	4.6
117.92883	2.8
118.92690	1.1
119.03474	0.7
119.43625	0.6
121.02963	1.4
123.04552	1.1
127.61169	0.6
163.56662	0.6
213.86020	0.7
265.34088	0.6
351.19974	0.8
391.94986	0.7
407.86835	0.7
495.27783	5.2
513.28644	34.3
573.30670	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	633.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62772	0.5
57.03465	2.3
58.81369	0.4
59.01389	100.0
60.58089	0.5
63.38200	0.5
84.02208	0.5
85.02953	11.8
89.07681	0.6
89.65655	0.6
93.03454	0.8
95.01305	0.6
101.81386	0.5
116.92904	2.0
242.90976	0.6
254.49902	0.5
254.91530	0.5
263.10770	0.8
277.38461	0.6
333.18683	2.3
388.00763	0.6
479.24478	2.4
480.25082	5.5
495.27637	34.0
513.28619	10.3
573.31055	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	633.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48012	0.1
59.01393	1.1
61.77906	0.1
73.02957	0.1
78.12247	0.1
85.60510	0.1
87.10641	0.1
89.69355	0.1
99.92589	10.6
114.93397	0.2
116.92866	100.0
117.92866	0.7
121.30717	0.1
130.39656	0.1
185.30504	0.1
233.28496	0.1
272.98779	0.1
392.60486	0.1
410.43414	0.1
495.27576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48012	0.1
59.01393	1.1
61.77906	0.1
73.02957	0.1
78.12247	0.1
85.60510	0.1
87.10641	0.1
89.69355	0.1
99.92589	10.6
114.93397	0.2
116.92866	100.0
117.92866	0.7
121.30717	0.1
130.39656	0.1
185.30504	0.1
233.28496	0.1
272.98779	0.1
392.60486	0.1
410.43414	0.1
495.27576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
61.98824	0.3
65.75118	0.2
73.02938	0.5
92.10102	0.6
99.92590	9.0
114.93419	0.3
116.92867	100.0
116.97243	4.8
117.01953	1.0
117.92856	0.5
119.04747	0.3
143.66370	0.3
160.84219	0.4
224.70444	0.3
278.12131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70870	0.3
57.03464	1.5
59.01386	100.0
78.79867	0.3
84.37836	0.3
85.02950	5.3
96.96004	5.5
98.95594	3.1
98.96416	0.4
99.00911	0.4
176.04720	0.5
180.98059	0.3
194.16187	0.4
196.82140	0.3
200.33504	0.4
213.44310	0.4
238.05035	0.3
250.23013	0.4
263.10754	0.8
274.60107	0.4
305.15338	0.4
319.17001	0.8
383.87415	0.4
447.93210	0.4
479.24493	5.7
480.25174	10.1
495.27606	41.7
496.27878	0.5
513.28723	10.9
530.90216	0.4
573.30389	2.8
599.40875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73093	0.2
59.01387	100.0
60.15437	0.3
68.99593	0.5
71.01406	0.3
74.54353	0.2
77.99433	0.2
78.07971	0.2
80.29805	0.2
83.05042	0.5
84.02171	0.6
85.02953	4.7
97.02965	0.3
101.20847	0.3
110.06692	0.3
111.04523	0.3
115.03998	1.5
115.07587	0.3
119.05036	0.3
121.02971	2.0
123.04528	0.5
172.20947	0.2
178.83696	0.3
197.58441	0.3
231.72948	0.3
300.50378	0.3
333.18332	0.3
335.16486	0.3
342.47821	0.3
351.19739	1.3
406.03156	0.3
447.28561	0.3
451.28622	0.6
495.27640	8.3
513.28662	41.7
514.29102	0.4
573.30872	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	631.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
57.03450	1.4
59.01389	34.7
61.98846	2.5
66.62372	0.6
69.03468	1.2
71.01392	36.2
72.39757	0.6
72.99316	1.1
73.02953	15.5
75.00883	1.0
82.95383	0.6
83.01404	7.8
84.90942	0.6
85.02971	18.9
87.00900	2.8
89.02457	18.5
93.03476	0.8
95.01401	3.4
96.96009	4.8
97.02967	3.6
99.00887	7.1
100.01408	0.6
101.02456	41.3
109.02972	0.6
111.00902	0.9
113.02466	16.8
115.04009	0.8
116.92874	1.2
119.03539	3.0
119.05027	1.3
125.02448	6.6
128.90172	6.1
129.01938	1.2
131.03493	2.4
133.02965	1.5
135.04523	3.4
137.02434	1.1
143.03462	1.1
145.02968	3.1
149.04572	0.7
151.00426	0.9
159.03015	1.1
161.02492	5.7
161.04553	14.6
163.04105	0.9
175.03996	0.7
179.03546	1.1
181.05144	0.9
191.05678	2.8
195.06653	0.8
213.05690	0.8
224.35291	0.8
227.03580	6.2
229.05136	1.1
233.06454	1.1
241.05116	0.7
255.03026	11.4
256.03702	0.7
257.04486	0.7
260.77597	0.6
277.16608	26.7
284.03296	11.2
285.04089	16.6
286.04333	0.8
368.82513	0.6
403.24289	0.6
409.20923	21.0
427.00473	0.6
439.21848	6.1
470.93723	0.7
571.26190	100.0
572.26495	2.4
593.15295	13.3
594.15900	1.0
595.21832	1.5
631.16467	1.4
631.26422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40029	1.0
63.72437	1.2
75.40363	1.2
82.07669	1.4
116.92894	1.8
117.03473	2.7
119.05029	97.1
132.05733	1.7
135.04460	1.8
145.02968	8.4
147.65451	1.4
160.84219	11.6
160.95039	1.1
163.04021	100.0
179.51770	1.3
276.62292	1.2
409.31226	1.9
471.34790	3.1
587.38147	2.0
631.36267	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06902	0.9
61.98837	1.1
86.23467	1.1
116.92812	1.3
117.03480	2.1
119.05026	94.8
145.02968	8.2
160.58493	1.0
160.84277	8.4
163.04025	100.0
163.40593	1.1
167.45766	1.1
256.44293	1.2
423.32483	2.0
471.34692	1.3
473.35779	1.5
549.99976	1.2
631.36493	39.7
632.19238	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	633.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48012	0.1
59.01393	1.1
61.77906	0.1
73.02957	0.1
78.12247	0.1
85.60510	0.1
87.10641	0.1
89.69355	0.1
99.92589	10.6
114.93397	0.2
116.92866	100.0
117.92866	0.7
121.30717	0.1
130.39656	0.1
185.30504	0.1
233.28496	0.1
272.98779	0.1
392.60486	0.1
410.43414	0.1
495.27576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47917	0.1
54.82369	0.1
57.65115	0.1
58.26257	0.1
59.01381	0.3
63.37724	0.1
76.57108	0.1
77.24208	0.1
78.95902	7.5
79.95740	2.3
80.30212	0.1
92.10818	0.4
94.98081	0.2
95.97610	0.3
96.96011	100.0
96.96912	8.6
97.02872	0.2
102.67639	0.1
109.95316	0.2
113.33968	0.1
195.67865	0.1
213.30750	0.2
320.37497	0.2
584.86407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39101	0.2
50.44522	0.2
59.01394	0.5
78.95908	5.7
79.95751	2.4
80.45877	0.2
85.12270	0.2
92.65696	0.2
96.96014	100.0
96.96913	8.2
98.95547	0.4
120.19328	0.3
125.08405	0.3
220.80394	0.3
266.85245	0.4
269.15317	0.3
417.35529	0.3
551.21045	0.3
588.67554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48458	0.1
59.01389	0.4
66.80480	0.1
73.02940	0.9
75.00890	0.1
78.83683	0.1
85.19650	0.1
86.45165	0.1
92.95982	0.1
99.00899	0.5
99.87701	0.1
99.92592	9.2
114.93430	0.2
116.92874	100.0
116.97249	2.4
117.01952	1.1
117.92866	0.7
369.99512	0.1
469.33459	0.2
631.36169	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	631.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
70.02335	0.1
73.02950	1.1
75.00859	0.1
75.16662	0.1
99.00866	0.8
99.59073	0.1
99.92580	9.6
109.09972	0.1
110.97901	0.1
114.91578	0.1
114.93415	0.3
116.92861	100.0
116.97230	3.3
117.01933	1.8
117.05573	0.1
117.40504	0.1
117.92882	0.5
119.05002	0.1
121.47449	0.1
133.54527	0.1
145.02988	0.1
166.94659	0.1
189.09993	0.1
202.38261	0.1
236.00919	0.1
393.37125	0.1
455.71307	0.1
631.36890	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	629.3386
Annotation	Remikiren
Peak:m/z	Relative Intensity
55.57613	1.3
57.41005	1.4
59.01382	3.7
68.77682	1.6
74.90060	1.5
111.04864	1.8
116.92871	2.5
269.47940	1.6
416.11417	1.8
441.33740	22.0
512.68097	2.0
599.32855	35.1
629.33789	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	631.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.4
61.98848	5.3
67.01904	1.0
71.01390	5.2
73.02942	1.2
82.95424	1.9
85.02947	1.6
86.76272	0.9
88.98804	0.8
89.02473	4.6
93.03488	1.7
96.96031	6.3
99.00901	1.1
101.02454	1.6
110.06123	2.3
110.72350	1.0
116.92901	1.1
118.06623	1.0
118.59574	1.1
120.04521	4.4
121.02959	1.8
121.05376	2.3
122.06121	11.6
134.06148	1.4
135.04564	1.1
135.06920	1.5
136.07674	14.7
137.02484	1.3
147.38504	0.9
161.02446	3.9
161.07251	1.3
171.11821	4.0
173.04543	1.3
189.04324	48.7
191.05630	8.9
193.05093	1.2
198.09247	1.5
199.10034	2.1
214.12396	19.5
227.08211	2.1
229.09839	7.6
230.11884	5.0
241.09851	13.1
242.10608	21.9
255.11314	1.1
257.12991	100.0
301.11987	74.3
302.12683	1.1
311.10394	5.1
329.11499	36.0
587.25092	4.7
659.40906	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	629.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65475	1.2
54.33917	1.3
54.43090	1.4
55.01883	3.9
57.03480	2.5
58.00625	2.2
59.01388	62.5
60.50058	1.3
61.98848	6.8
68.13220	1.4
69.82717	1.3
71.01386	48.4
72.99320	2.2
73.02959	14.7
76.57563	1.8
77.89951	1.5
83.01397	1.7
85.02970	13.2
89.02450	70.4
96.96003	8.1
97.95921	1.8
99.00890	17.7
101.02454	36.3
104.04182	1.6
113.02438	16.4
117.96758	2.1
119.03491	8.7
125.02465	2.8
131.03514	3.5
149.04582	24.8
179.05695	1.7
191.05652	7.3
221.06560	2.3
251.07874	3.5
294.56192	1.6
421.73166	1.8
437.25314	6.9
569.29767	100.0
593.42462	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	629.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.1
64.34880	5.0
92.10828	5.4
97.81302	5.0
104.17251	4.2
116.92900	8.6
202.18851	4.8
238.86819	4.6
302.31033	4.5
322.69659	4.5
400.88977	4.8
441.33636	17.9
560.61816	5.1
569.31018	6.6
599.33154	20.3
627.62366	5.2
629.34027	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	629.3382
Annotation	Remikiren
Peak:m/z	Relative Intensity
55.42041	1.2
59.01391	23.0
75.70996	1.3
92.10120	3.2
114.93419	7.3
123.68275	1.4
132.98186	22.0
153.42097	1.8
174.99265	52.4
218.98299	1.6
273.77701	1.7
335.74084	1.9
371.56232	1.5
391.29807	2.6
395.03174	1.4
407.33231	27.4
443.67136	1.7
629.33807	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	629.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30803	1.4
59.01400	2.7
61.10846	1.6
61.98848	1.8
79.67066	1.5
91.08855	2.1
91.37291	1.8
116.92858	2.6
143.13722	1.9
153.06207	2.0
162.70514	2.0
191.05576	2.0
195.01556	1.7
207.18402	2.3
253.14464	1.8
358.44510	2.3
471.34964	42.6
547.05042	2.0
629.33948	100.0
630.34723	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	629.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97433	0.4
55.01881	0.8
56.59850	0.4
57.03462	0.6
59.01381	6.5
60.51789	0.4
64.89371	0.5
70.49798	0.5
71.01379	6.1
73.02968	2.2
83.01402	1.1
85.02941	4.5
86.92086	0.5
89.02448	1.9
89.04026	0.6
92.10055	0.9
92.95351	0.5
95.01357	0.5
96.96048	2.3
99.00899	0.6
101.02455	6.2
113.02466	3.5
117.03448	4.0
132.02168	22.6
133.03000	0.6
134.03745	48.4
135.04459	0.5
137.02509	0.6
149.06050	6.2
153.95856	0.5
160.01668	100.0
161.02293	0.8
161.04614	0.9
164.38475	0.6
171.14005	0.5
175.04015	89.8
176.04614	0.9
178.02776	2.1
179.03595	0.6
193.05075	37.2
207.06560	0.7
220.03775	0.5
235.06065	1.2
240.02112	0.6
247.25829	0.5
312.74265	0.5
323.91129	0.5
332.57260	0.6
337.09354	1.2
467.83072	0.6
522.37347	0.5
629.28296	72.4
630.28876	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	629.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
59.01385	1.0
70.63776	0.2
71.01381	1.4
73.02945	0.2
78.95905	4.9
79.95743	2.4
83.01403	0.3
84.46355	0.1
85.02962	0.6
89.02473	0.2
94.98048	0.1
96.96014	100.0
96.96905	6.1
99.00906	0.3
101.02445	1.1
113.02434	0.3
117.03459	0.6
132.02176	2.8
133.02910	0.2
134.03751	8.0
149.06084	0.7
159.57297	0.1
160.01685	14.8
175.04034	13.6
176.04535	0.1
176.43187	0.1
193.05092	5.4
225.37680	0.1
242.06044	0.1
322.58279	0.2
337.09351	0.3
338.91980	0.2
391.26776	0.2
498.12201	0.1
629.28375	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	629.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
71.01409	0.4
78.95914	5.6
79.95741	2.4
83.72142	0.2
85.02970	0.3
94.98103	0.8
96.00831	0.2
96.96015	100.0
96.96902	5.1
99.91569	0.2
101.02441	0.6
106.45286	0.2
132.02161	1.1
134.03754	3.0
134.79666	0.2
149.06088	0.3
160.01680	5.7
175.04021	5.4
193.05023	2.4
567.63165	0.2
579.44696	0.2
629.28101	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	629.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.26827	4.3
60.98820	4.2
61.98836	29.8
71.01395	8.3
73.45260	5.2
79.49188	5.4
85.03010	6.1
89.02447	6.3
91.73587	5.0
93.03484	7.3
96.95966	6.6
101.02450	8.2
116.92918	6.2
145.02965	8.6
155.10764	9.9
191.05562	10.6
195.06538	5.8
476.60785	6.2
629.27838	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	18.9
69.16889	2.2
71.01421	3.1
80.05070	5.8
85.64300	2.7
96.96012	39.7
104.05134	3.3
106.06626	37.9
108.08207	9.3
114.39820	2.7
122.06100	21.2
124.07740	2.9
132.04559	39.5
132.08203	4.5
134.06158	15.8
134.09746	2.2
137.25473	2.4
148.04187	2.9
150.05624	2.8
152.07156	19.5
160.06358	2.3
178.05127	3.5
183.09334	9.7
186.12880	10.9
197.10851	2.9
211.08769	3.8
212.10930	5.2
213.10303	21.8
223.08830	5.5
224.09605	51.5
225.06773	3.7
225.10367	11.1
226.07489	5.7
226.11185	2.8
230.11862	4.4
239.11920	64.4
240.09097	12.5
241.13527	9.7
255.11418	100.0
257.13022	22.1
283.10965	11.1
285.12509	44.4
321.42508	2.8
327.09900	9.0
329.11386	14.5
355.09506	3.6
370.15826	4.8
429.52612	2.6
434.17551	16.8
462.16711	5.5
523.23724	9.8
553.24658	11.3
567.22528	57.8
597.23706	13.2
611.21558	82.4
629.23962	4.7
633.64636	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	627.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73632	1.7
59.23653	1.5
89.54295	1.9
101.89008	1.9
112.11964	1.8
116.92884	2.0
120.63723	2.0
120.89520	2.2
127.11298	9.9
132.28110	2.1
155.10727	4.7
157.12326	4.7
171.10226	4.5
186.16403	1.9
192.14078	1.8
209.23889	2.0
277.14050	2.1
295.22827	11.5
313.23917	62.8
329.23315	3.8
331.24942	77.2
364.28146	1.8
511.92426	1.9
627.48499	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	627.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22813	0.1
72.23030	0.1
78.20628	0.1
79.95762	0.2
80.96524	0.1
88.47359	0.1
96.96009	4.1
116.57848	0.1
131.55534	0.1
159.28246	0.1
241.00166	0.3
269.24905	100.0
270.25314	1.2
331.16629	0.2
385.97839	0.2
574.84882	0.2
627.35919	4.8
628.36200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06781	0.2
59.01381	1.4
61.98837	100.0
66.25462	0.2
71.01379	0.5
71.94981	0.2
74.40149	0.2
83.82883	0.2
85.02953	0.8
87.18401	0.2
89.02445	0.4
96.96004	0.3
101.02441	0.3
102.95353	0.2
113.02452	0.2
137.11899	0.2
156.64774	0.2
191.05666	0.2
273.12402	0.3
345.39603	0.2
384.60477	0.2
443.09286	0.2
568.31055	0.3
629.22638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25652	12.3
56.43105	10.2
59.01400	88.4
61.98838	52.0
65.04066	12.0
71.01401	31.8
71.37155	13.4
85.02969	24.1
99.00909	20.7
101.02474	23.2
114.49377	14.2
116.34647	14.4
132.02248	26.0
132.62999	14.0
134.03812	40.5
160.01738	100.0
175.04034	64.7
183.28979	14.3
193.05084	23.9
195.30019	13.5
250.30792	14.9
513.28516	25.3
627.25714	19.2
627.35480	40.3
634.61969	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	627.2953
Annotation	Gambogellic acid
Peak:m/z	Relative Intensity
53.41882	7.7
54.05007	7.9
57.03470	14.0
59.01401	43.9
85.02976	50.3
105.88311	10.4
113.38017	9.1
237.97325	13.6
240.82913	11.2
257.37720	12.0
296.02429	10.3
513.28729	100.0
531.29285	17.0
591.32196	13.1
627.29816	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10438	4.5
54.43012	5.1
57.03456	9.6
59.01392	36.7
61.98841	14.1
64.94230	5.1
65.82986	5.0
65.94170	7.2
78.91898	11.0
85.02966	53.1
92.10809	13.7
132.58791	5.8
144.62611	5.7
168.76385	5.7
270.32828	6.2
325.03976	6.8
351.19769	11.6
419.74426	6.0
513.28577	100.0
531.29602	21.1
591.31665	7.6
627.29822	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
57.03455	2.4
58.00610	2.5
59.01391	100.0
61.98837	0.7
65.07403	0.3
67.22410	0.4
68.99835	0.4
71.01391	46.1
72.99328	2.7
73.02955	3.9
80.96535	1.6
82.72823	0.5
83.01410	3.1
83.05053	0.8
84.02194	0.5
85.02966	12.7
85.03455	0.5
86.13162	0.4
87.00883	2.0
88.98793	0.5
89.02454	55.6
90.73035	0.4
93.03466	0.5
93.70163	0.5
95.01382	4.5
95.08650	0.6
96.96017	0.7
99.00878	1.7
99.04530	0.4
101.02448	28.1
105.53885	0.4
107.05071	0.5
113.02460	23.1
113.06008	0.4
116.92871	2.5
117.92863	0.6
119.03504	21.4
119.08674	4.4
124.05348	0.9
125.06112	1.0
127.07617	0.9
131.03502	1.9
131.99327	0.4
134.03809	0.6
135.08170	1.6
137.02338	0.4
137.09706	0.5
139.07622	0.9
142.78505	0.5
143.03528	4.2
145.02936	0.7
149.04503	1.5
159.02917	0.6
160.01689	1.0
161.04567	6.0
161.09792	0.5
175.03993	0.8
178.06374	0.5
179.05640	13.1
179.10854	0.6
191.05595	0.9
191.10846	0.5
197.11797	0.8
209.11855	2.2
257.36603	0.5
271.02502	0.7
289.18005	0.6
291.19748	1.0
299.02283	0.6
325.21835	1.7
327.65494	0.5
343.22894	1.7
361.23895	4.0
387.21643	4.2
405.22891	33.6
429.21432	0.9
567.28198	87.9
568.28729	2.1
627.26257	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	627.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97222	0.4
58.13534	0.3
58.36214	0.3
59.01393	1.7
61.98840	3.7
74.98671	0.4
78.95908	6.0
79.89437	0.3
79.95737	3.2
82.32043	0.4
85.02950	0.4
85.33102	0.5
89.02471	0.5
94.98082	0.4
96.96014	100.0
96.96911	8.3
105.44027	0.4
118.81942	0.4
124.41421	0.4
148.06073	0.5
161.06070	0.5
166.02654	0.5
178.30040	0.4
209.65225	0.4
226.90144	0.5
417.15863	0.5
428.11017	0.5
513.28809	4.3
531.30035	0.4
548.41144	0.5
591.32751	0.7
627.29810	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.0
60.99310	19.4
62.10017	0.4
71.01379	2.5
71.55286	0.6
73.02962	0.8
73.58358	0.4
74.53548	0.4
78.82362	0.5
79.95669	0.5
85.02985	0.6
85.88808	0.4
87.00877	4.3
88.00414	1.1
88.98805	100.0
89.02459	5.3
91.01911	1.1
92.10727	0.6
94.56591	0.5
96.96012	0.6
99.00832	0.7
101.02457	1.9
109.02971	2.1
111.00893	1.2
113.02458	0.8
118.91840	0.5
121.02935	1.0
131.03526	0.6
133.02994	0.6
135.00854	4.6
136.77393	0.5
137.02510	0.5
149.04561	0.6
153.01949	3.1
153.10332	0.5
161.02446	0.8
163.04039	0.7
165.01927	6.0
179.03491	2.6
179.07066	0.9
180.04254	4.3
191.03944	0.5
191.05617	4.6
191.29213	0.5
195.06584	4.4
210.05330	1.1
225.07635	1.0
297.06003	1.0
337.09308	0.6
352.31070	0.6
405.12003	2.3
438.19888	0.5
537.24933	0.7
627.19153	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	627.2693
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
50.21019	1.8
53.65874	1.9
59.01387	53.0
61.98841	4.3
67.55199	1.9
71.01383	22.7
73.98318	2.8
74.99122	2.7
78.07249	2.1
85.02969	10.2
86.99116	2.8
87.00883	17.9
88.98787	2.7
89.02453	14.2
92.10181	5.8
93.03477	4.0
96.96017	10.3
99.00867	2.9
101.02442	18.3
109.02873	2.4
113.02454	4.3
116.92853	3.7
119.03509	5.0
119.05114	2.2
133.02989	2.4
151.03967	2.6
161.02470	2.9
161.04538	2.3
162.66110	2.3
165.05521	2.1
167.43288	2.5
172.05632	3.8
173.04637	2.3
191.05597	20.5
218.09859	44.5
219.10490	5.0
243.02512	2.2
244.90698	1.9
249.05905	2.4
315.19992	11.1
317.17944	81.4
377.20035	20.9
377.92465	2.1
479.23016	4.1
567.30328	8.9
627.27148	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	627.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
60.99315	19.2
71.01389	1.4
72.02866	0.3
72.99314	0.8
87.00892	1.8
88.00393	0.6
88.98808	100.0
89.02441	6.2
92.65633	0.4
96.96011	0.5
99.00857	0.7
101.02428	0.7
113.50033	0.3
128.07602	0.4
149.04610	0.4
153.04767	0.3
153.93663	0.4
161.02431	0.4
165.01897	2.1
180.04262	0.6
191.05583	0.9
195.06596	1.7
286.18979	0.5
395.51743	0.4
450.11722	0.4
534.58301	0.5
537.25720	0.9
627.19244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2128
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01390	9.9
61.98848	5.2
68.55782	0.7
71.01392	8.5
72.01748	0.6
73.02953	3.1
77.93344	0.5
80.05066	4.8
83.01422	1.3
85.02975	3.3
87.00879	0.8
89.02451	5.2
93.03455	0.9
96.96033	1.3
97.02929	0.9
99.00890	2.4
101.02438	5.3
106.06627	4.4
106.67896	0.6
108.04566	16.7
108.08194	3.2
109.80555	0.6
113.02475	2.4
116.92765	0.6
125.02491	0.9
132.04567	9.3
134.06119	3.9
134.09778	2.6
135.04514	0.7
136.07692	23.4
144.50096	0.7
145.02965	1.0
146.26617	0.7
147.03221	1.1
148.04025	1.2
152.07166	3.8
157.16139	0.6
162.05632	11.2
168.06970	2.3
183.09254	2.3
191.05586	1.2
210.08092	0.9
211.08849	0.8
213.10355	1.4
224.09615	2.6
225.10347	4.1
227.08308	1.3
227.12024	1.0
238.07338	0.8
239.11963	2.7
240.43300	0.6
241.09944	0.7
242.06987	3.1
243.11362	2.7
253.09808	7.2
255.07845	1.2
255.11308	0.9
256.08569	3.8
267.11481	0.9
270.10114	1.0
271.10922	100.0
272.11108	1.1
285.12494	2.5
310.31299	0.7
321.28305	0.8
327.09796	1.2
329.11563	2.6
331.22821	1.1
332.23160	1.2
388.16507	0.9
432.15628	1.4
450.16739	21.9
476.18332	1.2
481.18680	1.3
486.31955	0.8
565.20599	0.7
567.34039	6.9
583.22137	29.5
609.19983	10.2
626.32855	2.9
627.21069	37.6
627.32947	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	626.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65056	0.2
58.17471	0.2
59.01379	1.6
61.98834	100.0
71.01387	0.9
82.76701	0.2
83.01384	0.2
85.02947	0.3
89.02480	0.5
95.01313	0.2
101.02430	0.4
108.20586	0.2
125.02347	0.2
130.30060	0.2
173.04536	0.3
191.05527	0.3
522.30634	0.3
626.33020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56737	1.7
59.01384	14.4
59.15829	1.3
61.98847	1.9
63.24110	1.4
67.69012	1.4
69.92629	1.3
71.01382	14.3
72.99333	7.1
73.02953	6.1
85.02976	7.2
87.00871	35.1
88.98816	8.7
89.02457	4.0
92.65665	1.6
93.03497	1.8
96.96033	3.9
99.00909	7.2
100.01674	2.4
101.02451	6.8
103.41221	1.7
111.00892	13.2
112.98785	1.9
115.60447	1.6
116.92858	1.9
121.02958	6.7
121.37729	1.9
123.00909	6.5
124.01571	1.8
125.02500	2.3
131.03502	1.8
135.04497	2.2
137.02411	13.9
138.03226	2.0
142.99857	1.9
148.49628	1.6
149.02391	2.7
151.00400	2.2
151.04039	2.8
161.02467	8.0
163.03992	2.7
164.04768	3.7
165.01939	100.0
165.05569	2.4
166.02713	7.9
173.00923	2.0
175.03975	2.4
176.04758	3.8
177.02068	2.5
177.05597	2.2
178.06375	2.3
179.03511	29.9
179.07121	6.2
180.04282	70.4
181.05006	11.6
189.05612	2.0
191.03604	6.7
191.05656	11.4
191.07213	3.1
194.05858	12.1
195.06651	76.0
203.03543	2.2
205.05107	2.8
209.08247	7.5
210.05344	18.6
219.02962	3.7
225.07700	25.3
234.05190	2.0
247.02504	3.7
249.04106	2.4
261.04108	2.7
262.04837	10.7
276.06448	2.1
277.07184	10.9
337.09375	25.2
398.01660	1.6
399.14639	2.4
443.13092	2.2
455.13083	2.1
491.15771	10.7
516.55377	2.0
563.17633	2.7
609.18292	13.1
627.19635	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54581	1.3
55.01888	12.8
56.63016	1.1
56.83140	1.1
57.03458	15.0
59.01384	100.0
60.99314	2.3
61.98833	11.3
66.46129	1.2
67.75273	1.5
68.99817	1.5
69.03469	1.7
71.01382	88.9
72.99329	8.4
73.02943	14.5
75.00874	3.4
75.92844	1.3
80.92210	1.4
81.03481	2.3
83.01398	28.6
83.05044	8.2
84.02189	3.5
85.02955	66.8
85.03459	2.8
87.00883	2.0
88.98808	7.1
89.02440	44.3
93.03467	2.7
97.02995	2.0
97.06597	7.0
99.00874	20.6
99.04523	1.4
101.02446	26.8
102.83535	1.4
109.02972	5.7
109.87322	1.4
111.00884	63.5
111.04514	10.7
111.08135	1.4
113.02494	8.7
116.92869	8.4
119.03497	2.2
125.02461	3.2
125.06093	11.6
131.03467	2.6
135.04512	1.9
137.02473	1.2
149.04559	7.6
151.07600	1.7
155.03554	2.0
161.02509	1.8
161.04617	2.2
191.05658	9.9
278.91492	1.4
364.78952	1.4
371.87631	1.4
435.27667	6.9
449.29288	15.1
463.27063	1.9
465.50629	1.8
493.28104	29.5
503.30240	3.4
519.29547	2.1
529.27777	1.9
547.29132	10.0
565.30811	27.8
625.32605	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.0
59.01388	93.5
59.85645	1.7
61.98833	30.7
62.15405	1.7
69.03427	1.9
71.01379	64.2
72.97824	2.3
72.99302	3.9
73.02943	23.9
75.00877	12.5
77.39867	1.8
80.30609	2.2
83.01386	3.8
85.02941	19.0
87.00885	3.2
88.98830	2.9
89.02444	93.0
93.03483	3.3
99.00879	34.7
101.02441	42.5
113.02460	18.9
115.03989	2.2
116.92857	3.8
119.03516	9.8
125.02431	2.8
127.29902	2.2
131.03519	3.7
133.03062	2.5
135.04532	3.9
149.04573	24.5
161.02455	2.5
173.04385	2.6
176.01233	3.4
191.05652	26.1
214.95369	2.4
238.09641	2.3
251.07872	3.7
329.23322	3.7
461.97137	2.6
493.29858	3.8
565.31763	5.0
625.32629	100.0
634.97949	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	625.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74011	0.7
55.01899	3.9
57.03473	2.9
59.01393	31.1
61.98845	1.6
63.60784	0.7
67.12812	0.7
69.03472	3.3
71.01389	43.0
73.02950	15.3
75.00893	1.6
79.90972	0.9
82.96316	0.7
83.01408	4.8
85.02953	16.3
87.00883	1.1
89.02444	27.0
92.10814	2.0
95.01398	3.6
97.02952	4.7
97.06578	6.0
99.00871	9.7
100.63275	0.8
101.02439	21.0
111.00880	1.1
113.02441	9.9
115.04028	1.9
119.03540	1.3
123.08171	4.8
124.01234	0.8
125.02480	8.2
131.03520	3.4
139.07629	1.4
141.09288	1.4
143.03494	3.0
149.04564	3.7
161.04619	6.8
191.05603	3.7
233.06677	4.6
269.19086	10.4
287.20178	5.2
292.86029	0.9
293.08969	6.8
331.22806	41.1
385.13211	1.1
493.28333	7.3
625.32513	100.0
626.32990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03456	2.0
59.01386	57.9
61.98843	5.5
65.03976	1.7
69.03461	2.3
71.01383	53.4
72.99306	2.6
73.02946	17.6
75.00845	1.3
76.57048	0.9
77.68205	1.1
81.03459	4.0
83.01418	2.3
85.02943	13.2
87.00897	4.1
88.39153	1.0
89.02444	79.9
92.10762	2.6
93.03474	4.4
95.01391	2.5
96.96027	2.0
97.02950	5.0
99.00880	26.6
101.02449	34.6
101.03097	1.6
108.02188	6.2
109.02999	8.6
113.02453	9.9
115.03994	5.1
116.92875	1.4
119.03516	8.2
125.02454	6.1
131.03473	8.7
135.04530	4.5
137.02472	11.8
141.73944	1.0
143.03535	1.5
149.04567	16.7
151.04002	1.5
152.01123	1.9
161.04576	5.7
163.18900	1.1
166.02667	1.2
173.04510	4.3
179.03474	1.3
181.05045	1.2
191.05582	16.1
203.85146	1.1
221.06677	1.8
233.06471	2.2
251.07809	1.7
271.19131	1.2
293.08896	2.2
299.02112	1.6
311.09979	1.2
317.90106	1.2
417.15891	1.6
433.24628	5.2
565.28754	100.0
625.32776	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	625.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19736	2.3
54.47303	2.0
59.01394	3.6
60.99316	10.3
72.98901	3.6
72.99307	100.0
73.00340	2.7
83.64809	2.4
88.98802	29.3
89.02480	4.0
89.99142	3.5
91.00394	12.9
93.47235	2.3
108.98605	2.4
134.51532	2.5
233.84364	2.4
254.93176	3.2
341.75079	2.8
440.75662	3.3
618.70898	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	625.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	31.7
59.28812	4.6
61.98836	100.0
63.95179	4.0
65.88850	4.3
71.01387	9.1
72.99309	6.5
81.74220	4.6
85.02988	6.7
87.00893	4.9
105.26382	5.0
135.04523	10.1
144.52798	5.6
180.17300	5.4
184.74159	4.8
191.05609	60.2
232.14494	5.2
353.08398	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	625.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77187	0.3
55.01880	3.5
57.03460	2.7
58.00600	1.4
59.01383	34.1
61.92804	0.3
61.98830	0.7
62.41777	0.3
67.13743	0.3
69.03460	1.5
69.82893	0.3
71.01380	35.6
72.99309	1.9
73.02943	13.4
75.00885	2.3
77.02689	0.3
83.01386	5.6
85.02955	16.4
86.00109	0.4
87.00861	2.9
89.02444	22.3
89.03004	0.7
90.00174	0.4
93.03471	2.4
95.01376	3.1
97.02946	3.0
97.60760	0.3
99.00870	7.4
99.04513	0.4
101.02439	31.7
104.08693	0.3
108.02152	0.5
108.25322	0.3
109.02927	0.4
111.00916	0.8
113.02447	14.6
114.28032	0.3
115.04005	1.7
118.92670	0.4
119.03484	3.8
120.99640	0.8
121.02955	78.1
122.03318	0.4
123.04512	0.4
125.02392	2.4
129.01913	0.4
131.03551	3.4
135.04518	1.6
143.03503	2.2
149.04582	2.8
159.03009	2.5
161.02553	0.6
161.04536	6.5
173.04572	0.7
179.03600	0.5
191.05652	5.3
192.59299	0.4
209.15454	4.3
233.06673	1.8
257.12927	0.4
301.20303	0.4
371.20773	12.3
405.19418	0.4
437.24289	0.4
503.25082	100.0
504.25739	2.9
511.23352	3.6
529.24542	2.0
547.26160	0.8
565.28699	7.5
625.31177	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	625.1415
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
53.97305	2.1
59.01381	50.6
63.02396	3.6
65.00324	3.2
69.89997	2.5
71.01380	38.5
73.02949	14.7
79.56023	2.0
81.03464	3.1
83.01408	10.0
85.02962	11.7
87.00890	3.6
88.98806	2.4
89.02440	44.6
92.33565	2.3
93.03454	4.3
96.96025	3.0
99.00861	14.1
101.02453	28.1
105.01972	2.5
107.01392	12.8
113.02442	10.4
117.03457	2.1
119.03500	3.2
120.99630	4.9
124.01668	4.2
125.02441	3.1
129.26233	2.4
129.54105	2.4
135.04509	3.7
135.75146	2.9
137.02507	3.1
149.02452	3.1
151.00375	32.6
152.01172	10.9
159.04413	3.3
161.02429	5.6
165.01875	4.2
167.77023	2.3
169.01390	2.6
171.04475	3.8
178.99837	13.8
183.04602	2.9
186.03438	2.5
187.03900	3.0
191.05632	11.8
199.04008	3.9
214.02821	4.4
215.03461	4.6
216.04234	3.1
227.03448	10.7
241.01387	11.8
242.02171	4.0
243.02975	11.4
245.00951	9.4
255.03027	14.7
259.02524	10.8
270.01767	15.3
271.02539	46.8
272.03320	40.4
273.04028	13.1
298.01184	5.4
299.02005	100.0
300.02573	3.7
316.02338	10.2
317.02875	5.0
341.02774	2.7
373.12817	3.9
403.13760	2.8
433.24597	3.6
541.72034	2.9
565.28711	89.7
581.15356	12.6
607.12994	29.6
625.14233	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05746	0.5
59.01392	3.5
60.99313	19.1
87.00895	4.3
88.00423	3.1
88.98808	100.0
89.02449	15.8
160.52847	0.6
294.45297	0.6
366.54587	0.7
399.23459	0.7
596.71240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31434	0.3
59.01384	1.6
60.52433	0.3
60.99314	21.2
61.98866	0.3
71.01392	0.3
77.55910	0.3
85.02927	0.3
87.00867	3.3
88.00398	5.0
88.01203	0.5
88.04062	0.4
88.98807	100.0
89.02444	18.4
92.10838	1.6
101.02447	0.6
108.25732	0.3
118.31221	0.4
125.53846	0.4
137.71132	0.3
374.29843	0.4
455.33539	0.3
491.26273	0.5
495.81754	0.4
537.25537	0.4
623.30701	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	623.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35477	14.4
58.00706	18.2
61.98827	32.8
64.92607	14.5
66.33256	14.7
67.55577	14.3
78.51894	15.7
85.34131	15.1
92.10698	26.6
106.35170	16.3
114.93468	21.6
116.92872	100.0
120.10635	18.5
121.51601	17.1
200.82935	15.8
309.20596	34.2
313.23816	30.7
339.62885	18.4
426.24750	24.0
502.19034	20.5
504.84973	16.9
508.48883	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	623.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
59.42545	0.1
71.01382	20.1
73.02937	0.2
75.00883	0.2
75.28015	0.1
76.08859	0.1
79.31124	0.1
82.31045	0.1
82.99564	0.1
83.04967	0.1
83.70620	0.1
85.02943	0.9
86.66322	0.1
89.02460	0.8
89.32704	0.1
89.39935	0.1
91.05499	0.4
93.03435	0.1
95.01461	0.1
96.96000	0.6
99.00890	0.2
101.02444	0.7
113.02432	0.6
115.00378	9.0
119.05004	0.2
121.02957	100.0
122.03286	0.7
135.04530	0.1
163.03984	0.2
227.24541	0.1
237.04065	10.1
238.04352	0.1
248.60437	0.1
249.06186	0.2
267.07211	0.8
385.11572	1.0
393.85977	0.2
425.14899	0.2
482.22614	0.2
563.25922	0.8
563.75293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66614	0.3
55.51259	0.3
59.01392	5.1
61.98838	0.5
70.74114	0.3
71.01384	15.4
72.99331	0.5
73.02956	1.9
75.00881	0.3
84.41212	0.3
85.02962	1.1
87.00878	0.6
88.98790	0.5
89.02440	5.8
93.03449	1.9
96.95996	2.3
99.00874	2.0
101.02444	2.7
103.34370	0.3
105.01918	0.4
109.02931	2.3
111.04474	0.3
113.02427	0.6
113.06094	7.6
115.00370	7.4
116.92846	0.4
120.99651	100.0
125.02406	0.4
131.03546	0.8
133.01440	6.1
133.02971	0.5
135.04521	4.8
136.93825	0.3
137.02449	1.5
149.02472	0.4
149.04567	2.7
149.06120	0.6
153.01923	2.8
160.01767	0.3
161.02423	3.6
163.86751	0.3
173.04533	0.5
175.03989	0.4
177.05534	1.8
179.03473	1.9
191.05614	3.4
219.30539	0.4
221.04518	1.3
221.06520	0.4
222.31230	0.3
229.07170	2.5
251.05363	0.4
281.06638	1.2
311.07843	0.6
315.07468	0.4
353.08411	0.4
417.12292	0.5
434.15457	0.3
513.10541	0.5
563.14313	0.5
563.26294	2.8
623.24084	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	623.1628
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.40990	0.5
54.59637	0.5
57.03463	0.8
59.01387	12.4
61.98843	1.1
63.02426	0.7
65.00341	1.1
71.01377	7.9
73.02956	3.3
81.03537	0.7
83.01386	1.0
85.02944	2.5
87.00892	0.8
88.98830	0.9
89.02448	13.3
92.10900	1.3
96.96014	2.8
99.00884	3.2
99.92603	1.3
101.02459	5.9
107.01414	2.4
111.31448	0.6
113.02435	2.6
116.92854	18.8
117.01967	0.8
120.99670	1.6
121.02946	7.0
131.03528	1.2
133.02953	1.0
135.04535	3.6
137.02472	0.6
143.03534	1.1
145.02962	0.9
149.04646	4.9
149.05896	0.9
151.00368	5.7
153.01941	0.8
155.10814	0.6
161.02432	3.2
161.04576	0.9
162.05612	0.9
171.04564	1.0
175.03899	0.8
177.05614	1.3
179.03540	4.5
183.04459	1.3
191.05652	4.2
199.04008	7.5
199.09642	0.9
203.03386	0.7
207.10298	0.8
215.03543	3.0
221.04581	2.6
225.11349	0.7
227.03528	8.1
228.04288	0.8
242.02167	4.3
243.02995	41.7
244.03673	3.4
255.03029	27.7
256.03336	0.8
257.04510	4.2
259.06235	0.8
270.01721	5.2
271.02505	70.5
272.03238	5.2
281.06577	1.1
285.04050	6.8
286.04727	1.1
287.05621	2.8
299.02020	61.7
300.02783	56.3
301.03223	1.1
314.00687	1.1
314.04355	43.9
315.05148	100.0
316.05493	1.4
436.18893	0.8
443.11804	2.8
563.26642	2.9
623.16266	82.8
624.17206	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	621.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63902	2.4
51.68593	2.3
54.82751	2.2
55.01901	5.4
59.01389	56.0
59.38024	2.1
61.98850	3.0
71.01389	29.6
73.02947	11.8
83.01381	6.7
85.02969	14.1
89.02457	5.4
99.00879	4.6
99.35783	2.7
101.02443	22.0
111.00881	3.0
113.02464	12.9
113.58076	2.7
116.92913	2.9
125.95184	2.6
217.00328	5.6
236.52951	3.1
263.60498	3.5
489.34402	21.9
497.29218	15.2
621.38635	100.0
625.80060	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	621.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61864	0.3
54.82858	0.4
59.01385	100.0
61.98791	0.3
62.44906	0.5
64.26691	0.4
66.24802	0.3
67.01894	0.8
69.03447	0.5
71.01395	0.7
73.02940	0.4
85.02942	0.5
87.00873	2.2
87.40083	0.4
88.98790	3.3
89.02446	0.9
92.10070	1.7
116.92830	0.5
167.18669	0.5
170.63362	0.4
225.09239	0.9
333.44604	0.4
337.18085	0.5
404.11121	0.4
467.24420	0.8
483.27609	34.9
501.28662	6.6
514.18774	0.5
561.30658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01348	1.1
54.39737	1.1
59.01387	100.0
59.99472	1.2
60.77387	1.2
83.05035	1.6
83.95701	1.4
87.00877	51.9
87.01376	2.6
97.87151	1.2
105.01933	1.6
198.96216	1.3
225.09198	2.0
299.20331	1.3
345.75974	1.3
481.26068	1.9
483.66422	1.6
497.29166	75.7
515.30200	18.4
575.32440	2.4
621.36414	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	621.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73363	1.0
53.75763	1.1
54.82981	1.2
55.51355	1.1
56.71708	0.9
59.01391	58.3
67.01890	1.9
78.42258	1.2
83.05068	1.7
120.98943	1.2
225.09229	2.6
235.49956	1.2
286.53943	1.5
337.18152	3.1
481.25937	2.8
497.29230	100.0
498.29807	1.8
515.30334	15.5
531.30133	1.5
565.06317	1.4
575.32007	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67838	0.9
59.01395	100.0
62.80736	0.9
87.00917	1.5
88.98838	1.3
92.10771	0.9
105.01967	4.5
114.74167	1.0
116.88205	0.9
170.84148	1.0
217.00226	1.5
225.09198	4.3
270.93649	1.0
337.18146	1.6
481.26031	1.5
497.29199	91.0
515.30219	15.3
575.32764	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	621.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99934	2.7
52.59484	2.7
53.54047	2.3
59.01388	94.3
61.08502	2.6
67.66008	2.8
69.98785	2.8
75.00895	4.0
87.00920	4.0
101.67649	3.0
104.82278	3.5
105.01936	56.7
116.68873	3.3
142.86446	3.3
158.82774	3.3
168.66864	3.4
174.99271	7.0
195.52525	3.4
217.00337	15.2
225.09265	4.4
374.99301	14.7
497.29181	100.0
515.30225	17.3
632.54852	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25824	2.4
59.01383	38.2
59.43267	2.8
60.99315	16.1
61.78830	2.5
71.01389	4.6
72.99311	22.3
75.00873	2.6
85.02955	5.1
87.00872	4.4
88.98811	100.0
89.02438	19.4
91.00388	2.4
101.02459	14.4
130.55280	2.5
132.05386	2.9
133.35078	2.5
138.21429	2.5
161.04558	4.6
208.27774	2.4
217.00272	3.0
286.02087	3.2
290.51050	3.0
337.07614	2.4
338.59412	2.8
452.22754	2.7
483.27728	23.3
491.54614	2.9
585.33105	22.5
621.30499	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87571	0.2
56.59975	0.2
59.01387	100.0
60.99319	3.2
71.01399	0.4
85.02523	0.2
85.02962	2.0
87.00874	0.6
88.00413	0.5
88.98816	15.2
89.02462	1.5
213.09401	0.2
225.09245	2.4
226.09851	0.3
324.29486	0.3
337.18088	2.3
353.21320	1.4
407.65732	0.2
467.24316	2.2
483.27588	50.7
484.27890	1.2
501.28708	7.6
512.28827	0.3
517.28027	0.5
543.29749	0.5
561.30994	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	621.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58421	1.2
59.01387	85.8
75.91541	1.6
92.10727	1.7
95.86043	1.6
98.29263	1.5
101.70082	1.4
105.01981	1.9
105.22878	1.5
225.09232	2.1
337.17883	2.0
383.39169	1.8
464.74945	1.8
465.26166	1.9
497.29199	100.0
515.30499	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	621.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.33653	0.3
60.99340	0.4
61.56017	0.3
61.98832	0.7
65.43311	0.3
71.01381	0.7
83.01388	0.4
85.02965	2.0
88.98817	1.6
89.02449	0.5
92.10799	0.9
93.03411	0.3
95.01398	0.4
101.02424	0.6
111.04510	0.4
161.02449	0.4
171.75560	0.3
191.05582	0.7
212.81731	0.4
225.09163	1.4
255.28903	0.4
272.79425	0.4
317.66153	0.4
323.00052	0.4
337.18118	2.2
353.21188	1.7
364.85550	0.3
467.24127	1.6
483.27600	37.7
484.28168	0.7
501.28622	8.9
561.30615	2.9
621.20776	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	621.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83097	0.4
55.01922	0.9
55.17170	0.4
56.96054	0.4
57.03508	1.8
59.01439	13.9
62.16519	0.4
66.19578	0.4
68.99576	3.8
71.01451	13.8
72.99365	0.6
73.02946	6.8
77.73611	0.4
77.92690	0.4
83.01388	4.3
85.02956	8.3
87.00948	0.8
89.02438	9.5
92.10864	0.7
92.38359	0.5
95.01421	1.6
96.96055	0.5
97.03023	0.9
99.00858	3.6
101.02431	20.6
112.98548	4.1
113.02460	8.1
116.92913	0.6
119.03539	1.1
125.02441	3.6
131.03571	0.7
135.98456	0.5
143.03554	0.9
146.48537	0.5
149.04630	1.1
159.03059	0.6
161.04558	6.9
189.22409	0.5
191.05743	0.6
192.87207	0.5
233.06735	0.8
291.18176	13.6
329.13837	0.7
417.46115	0.6
423.22452	10.5
453.23560	3.7
545.55750	0.6
585.27759	100.0
586.27875	3.6
621.25403	41.8
622.26154	0.7
640.12268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	6.0
55.65944	1.2
57.03471	1.9
59.01388	64.1
61.98849	6.3
63.48053	1.3
67.86353	1.3
71.01382	50.8
72.99329	1.8
73.02958	20.2
80.34600	1.3
83.01414	6.3
85.02953	18.1
87.00869	3.3
88.06076	1.4
88.98817	3.0
89.02448	48.9
93.03485	3.0
95.01421	2.3
96.96030	10.5
99.00881	25.0
101.02448	35.4
113.02473	12.7
113.97081	1.3
115.04053	1.4
116.92875	1.9
119.03510	10.6
120.99577	1.3
121.06651	2.4
123.08167	28.6
125.02435	3.3
131.03554	7.1
132.02205	6.8
134.03758	15.4
135.04547	2.1
143.03522	2.0
144.24924	1.5
149.04604	14.0
149.06111	1.8
160.01671	32.4
161.02422	1.9
161.04590	6.6
164.04871	2.1
173.04509	10.5
175.04039	21.6
179.03394	1.7
179.05678	1.5
191.05746	10.6
193.05095	8.7
223.06186	1.8
233.06915	1.7
257.15616	7.1
285.18802	2.1
297.15427	1.8
309.18726	3.2
327.19766	44.5
353.10983	2.0
397.11533	3.3
429.61948	1.4
485.20258	3.1
489.25162	10.1
497.20218	12.5
561.28699	5.8
579.29059	1.7
580.56177	1.6
585.28223	1.7
621.29639	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	621.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35831	0.4
58.00615	2.0
59.01386	100.0
65.15894	0.5
68.83683	0.5
71.01418	0.9
72.99312	3.9
87.00881	54.9
89.02457	2.1
96.96033	2.9
103.00377	46.2
105.01918	1.2
112.98832	1.2
121.02953	90.5
121.67436	0.6
130.99866	38.3
131.07138	3.3
133.02954	1.3
135.04524	2.1
161.02441	2.4
173.04556	1.0
179.03502	1.0
191.04021	0.7
191.05515	4.2
248.52412	0.6
253.03558	51.4
267.05261	0.8
275.10214	0.6
293.12433	7.6
648.81946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07734	0.5
54.83212	0.5
55.01891	0.5
59.01387	27.4
59.85037	0.6
62.28292	0.5
66.59194	0.4
69.88018	0.5
71.01384	17.6
72.99308	1.0
73.02939	8.8
74.99095	21.7
75.31606	0.5
83.01382	0.7
84.40895	0.5
85.02963	3.1
87.00876	1.0
89.02443	42.4
93.03451	1.3
96.96017	8.9
99.00883	17.6
101.02442	9.1
109.02981	0.8
113.02454	3.3
118.98087	100.0
119.03472	0.7
125.02457	2.7
131.03516	4.5
135.04483	1.0
136.08630	0.5
149.04546	7.6
153.59103	0.5
154.57187	0.6
161.02420	1.1
161.04527	0.8
165.02029	0.5
173.04495	0.9
179.03580	0.6
187.70134	0.6
191.05615	9.6
213.12929	1.1
247.11568	0.9
262.00949	0.6
293.08783	3.1
357.04337	1.1
387.09186	2.3
468.55484	0.7
603.21173	8.8
621.22400	93.7
622.22675	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	621.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17097	0.5
53.47990	0.4
58.00612	0.8
59.01385	24.8
61.98850	0.6
63.96268	0.8
71.01383	19.5
71.57603	0.6
72.99313	1.0
73.02943	7.4
73.03235	0.5
74.99094	24.0
83.01406	0.5
85.02967	3.8
87.00903	0.7
88.98834	0.8
89.02438	40.0
93.03434	2.3
96.96006	14.6
96.96973	0.6
97.02941	0.9
98.95586	1.2
99.00878	16.4
101.02435	10.4
109.02953	0.6
113.02445	3.7
116.92903	0.7
118.98079	100.0
119.03522	1.0
120.99619	1.1
125.02443	3.1
131.03474	4.9
135.04544	0.9
149.04549	7.7
151.04239	0.5
161.02502	0.7
161.04561	1.3
165.02026	0.6
173.04468	1.2
179.03398	1.1
183.19168	0.6
191.05629	10.1
195.06621	2.5
213.12939	0.6
219.13693	0.6
230.54204	0.6
233.06718	0.7
262.65607	0.6
293.08829	2.3
349.42117	0.6
357.04559	0.9
372.06857	0.8
379.12552	0.8
387.08832	1.3
459.15277	0.7
495.97809	0.7
561.25696	1.2
603.21356	7.5
621.22333	98.8
622.22961	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	621.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82530	0.8
55.01888	1.0
59.01384	22.7
61.98833	1.4
64.34269	1.0
71.01380	19.1
72.99317	1.6
73.02959	4.1
73.12492	0.7
75.00863	1.0
82.95480	0.9
83.01395	4.1
85.02948	7.2
87.00879	20.6
88.98813	0.9
89.02441	14.4
90.46111	0.8
92.10166	2.3
92.65645	0.8
93.03465	3.2
95.01379	1.3
96.96018	9.4
97.02956	2.0
98.95596	4.0
98.96449	0.8
99.00896	1.8
101.02451	9.6
102.98612	3.5
105.07110	3.5
109.02955	0.9
113.02462	13.0
116.92841	8.0
117.92850	1.7
118.92662	1.0
119.03500	1.6
119.05024	1.7
121.02935	1.2
125.02475	1.5
131.03522	1.3
131.05011	1.5
133.02974	1.9
133.06593	6.0
134.03658	1.1
134.43417	0.8
135.04549	7.0
141.01950	0.9
143.03477	3.7
145.02950	3.3
147.04526	1.7
149.04546	1.5
149.06012	0.9
157.06633	1.1
160.01646	3.3
161.02460	7.9
161.04541	4.4
161.05901	0.8
163.04091	0.9
164.04874	1.1
173.04517	1.4
175.04047	1.9
177.05557	1.8
178.99980	0.8
179.03499	3.4
179.05626	3.0
179.07133	14.4
191.05652	8.7
205.05072	3.9
221.04500	5.4
222.05309	2.0
235.09749	5.3
236.06963	13.4
237.07707	100.0
251.09270	11.1
279.08786	17.3
299.02023	3.2
300.02802	1.2
301.03644	1.5
302.03836	0.9
323.09979	18.9
339.10757	1.1
415.09293	3.5
528.56531	0.8
561.18604	11.9
561.26215	1.4
620.67059	1.3
621.17804	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	621.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18202	0.4
58.00600	0.9
59.01385	35.3
61.98840	0.4
64.03648	0.5
71.01398	3.7
72.99317	1.2
73.02965	0.9
73.41142	0.5
76.52014	0.4
82.95420	22.8
85.02959	3.0
87.00871	16.9
87.01366	0.9
89.02437	6.7
93.03442	4.3
96.96035	1.0
99.00904	0.9
101.02460	2.5
103.00378	13.3
109.02970	0.6
109.51077	0.5
111.04522	0.7
113.02450	1.1
116.92846	0.7
117.03477	1.9
118.72822	0.5
120.01260	2.0
121.01638	0.7
121.02954	24.9
130.99866	12.4
133.02957	23.1
134.03741	1.1
135.04538	12.0
135.06624	0.8
137.02489	0.8
145.02943	1.1
149.04623	0.7
160.01656	0.7
161.02455	100.0
162.02728	0.7
165.02301	0.5
173.04568	3.4
177.05487	0.7
179.03494	9.6
191.05635	24.6
192.05948	1.0
221.04541	0.8
229.01447	0.8
253.03564	15.0
267.06601	0.6
277.05212	0.7
281.06808	0.9
295.06064	0.7
321.04166	1.0
339.05118	4.3
340.05145	0.6
348.81799	0.7
352.08044	3.8
352.58151	0.9
455.39243	0.7
459.15143	51.8
460.15326	0.6
513.10419	4.6
514.10742	0.6
621.20392	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	619.2579
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.06842	4.4
68.30696	4.4
69.42772	4.7
70.10740	4.1
71.05825	4.1
126.06628	4.6
307.36792	4.8
416.16336	17.8
459.18405	100.0
473.19589	6.8
474.20697	5.7
518.19733	40.4
532.21143	6.7
533.21887	55.0
619.10040	11.3
619.25494	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.3
59.14966	0.2
61.03032	0.2
61.98839	2.2
67.48270	0.2
68.99601	0.5
69.03519	0.2
71.01389	3.5
72.07451	0.2
73.02956	2.9
75.00858	1.8
76.47353	0.2
79.95766	0.2
83.01392	0.4
85.02979	1.2
87.00907	0.8
88.98802	0.3
89.02451	3.7
93.03436	0.3
96.96016	3.0
97.02978	0.3
99.00890	2.7
99.92592	7.5
101.02443	2.2
113.02464	1.1
115.03995	0.4
115.62321	0.2
116.92866	100.0
117.01942	2.4
117.92880	0.8
118.98051	0.2
119.03467	0.2
119.04999	0.2
124.46897	0.2
125.02453	0.9
132.02156	0.2
133.02963	0.3
135.04506	0.5
137.02484	0.2
149.04530	0.4
160.01660	0.4
161.02458	0.3
161.05945	0.2
166.02628	0.2
175.04065	0.2
179.03481	0.4
191.05623	0.9
193.05086	0.3
233.06642	0.2
237.06204	0.4
246.78471	0.2
267.06546	0.2
297.97610	0.2
324.06546	0.2
353.10248	0.4
383.11493	0.4
411.28616	0.2
561.28943	0.5
585.27789	7.5
591.16766	0.3
599.70074	0.2
603.17169	0.9
607.12305	0.2
621.25726	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	621.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.1
56.00661	0.1
59.01394	0.7
61.71345	0.1
61.98848	0.1
63.83983	0.1
71.01392	0.6
72.52097	0.1
73.02950	2.7
77.44664	0.1
85.02969	0.2
89.02453	0.5
93.03431	0.1
96.96011	0.1
99.00861	0.9
99.92590	7.7
101.02463	0.4
113.02471	0.1
114.93402	0.3
116.92869	100.0
117.01945	2.5
117.05561	0.1
117.92879	1.0
118.92691	0.1
120.99629	0.1
131.02220	0.1
135.04579	0.1
139.52924	0.1
143.38544	0.1
173.04637	0.1
188.75558	0.1
189.09290	0.1
189.30017	0.1
191.05742	0.2
226.58850	0.1
503.25302	0.1
561.25812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01387	5.2
59.34366	0.4
61.98826	2.6
62.54912	0.3
71.01379	19.3
73.02959	0.9
75.00828	0.3
76.00929	0.3
76.57726	0.4
80.31699	0.4
81.03485	0.4
82.95428	0.5
85.02948	2.0
86.55533	0.4
87.00880	0.7
88.90314	0.4
89.02443	5.9
90.07075	0.4
93.03447	0.8
96.96008	15.1
96.96965	0.4
98.95593	0.6
99.00897	1.5
101.02447	1.9
113.02453	0.7
115.00384	9.6
115.73934	0.4
116.92871	0.8
121.02957	100.0
122.03308	0.5
133.01457	0.4
134.03740	1.7
135.04558	0.8
136.01683	1.8
149.02473	0.7
149.04538	1.8
149.06088	0.4
150.03247	2.8
151.03995	1.5
152.36778	0.4
160.01703	0.4
165.01967	0.5
165.05539	2.7
173.04471	0.8
178.02765	0.4
179.03447	0.8
180.04166	0.5
191.05634	9.3
193.05013	0.4
195.06583	0.6
213.05569	1.3
214.23944	0.4
237.04060	10.8
241.05081	5.6
256.07495	4.8
271.09848	5.9
293.08914	0.6
295.67358	0.4
319.11905	0.7
334.78696	0.5
463.62039	0.4
542.71704	0.5
583.29858	0.9
590.27753	0.4
619.19977	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	619.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66427	0.2
59.01388	2.9
61.98836	0.3
63.39396	0.2
68.99575	0.8
71.01384	1.7
73.02944	2.5
77.65638	0.2
79.30253	0.2
85.02960	0.5
87.00909	0.3
89.02441	2.2
93.03470	0.2
94.14787	0.2
96.95988	1.1
97.31300	0.2
97.93139	0.2
99.00887	1.6
99.92590	7.4
101.02422	0.9
111.47188	0.2
112.98589	0.4
113.02464	0.5
114.93414	6.2
115.00350	0.3
115.03990	0.3
116.92866	100.0
117.01957	3.0
117.92871	0.3
119.05045	0.3
122.86385	0.2
131.03477	0.2
135.04538	0.4
161.02473	0.4
191.05592	1.1
573.00586	0.3
583.26440	2.6
619.24554	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	619.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66427	0.2
59.01388	2.9
61.98836	0.3
63.39396	0.2
68.99575	0.8
71.01384	1.7
73.02944	2.5
77.65638	0.2
79.30253	0.2
85.02960	0.5
87.00909	0.3
89.02441	2.2
93.03470	0.2
94.14787	0.2
96.95988	1.1
97.31300	0.2
97.93139	0.2
99.00887	1.6
99.92590	7.4
101.02422	0.9
111.47188	0.2
112.98589	0.4
113.02464	0.5
114.93414	6.2
115.00350	0.3
115.03990	0.3
116.92866	100.0
117.01957	3.0
117.92871	0.3
119.05045	0.3
122.86385	0.2
131.03477	0.2
135.04538	0.4
161.02473	0.4
191.05592	1.1
573.00586	0.3
583.26440	2.6
619.24554	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	619.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07590	0.2
59.01390	2.8
61.98860	0.4
62.81072	0.2
71.01385	18.5
71.75506	0.2
72.42907	0.2
73.02959	0.8
85.02959	1.0
87.00898	0.9
89.02432	2.2
92.10456	1.0
93.03453	1.2
96.96014	6.7
97.06586	0.3
98.95609	0.3
99.00898	0.5
101.02454	1.1
108.02210	0.2
113.02463	0.3
115.00380	9.5
116.92850	0.4
121.02963	100.0
125.02477	0.4
134.03716	0.3
135.04555	1.2
136.01662	0.8
149.02472	0.9
149.04610	1.0
149.06012	0.2
150.03206	1.4
151.03983	1.0
154.55453	0.2
161.02490	0.3
164.04781	0.3
165.05588	1.2
173.04584	0.3
175.03984	0.5
179.03561	0.2
180.04169	0.2
191.05638	5.7
193.04997	0.3
195.06619	0.4
213.05344	0.2
232.98140	0.3
237.01706	0.4
237.04091	12.5
241.05070	3.3
256.07382	1.5
271.09741	2.8
293.08737	0.4
412.92740	0.3
583.29938	0.4
590.69373	0.2
619.20569	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	619.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.2
59.01393	3.4
61.98838	0.7
71.01385	1.1
73.02958	1.2
76.95709	0.1
81.03460	0.2
83.01397	0.2
85.02940	0.6
87.00890	0.2
88.98848	0.2
89.02425	1.1
92.92747	0.2
93.03439	0.3
96.96001	2.6
99.00889	1.1
99.92586	8.3
101.02452	0.9
102.50789	0.2
109.02957	1.7
111.00857	0.2
112.98557	0.2
113.02452	0.3
114.93429	0.3
116.92863	100.0
117.01949	2.0
117.03481	0.7
117.92863	0.6
118.98167	0.1
119.05027	1.0
121.99490	0.2
126.60135	0.2
133.02963	0.4
135.04543	3.0
143.04974	0.2
145.02974	3.4
149.02492	0.3
149.06104	2.7
150.03249	0.2
155.10907	0.2
159.04500	0.3
160.01778	0.2
161.06102	1.3
162.03133	0.2
163.04028	1.0
165.05595	0.2
171.04507	0.3
174.03139	0.3
175.03989	0.6
177.05571	2.5
179.03539	0.8
189.05598	4.1
191.04027	0.2
191.05598	1.6
207.06677	1.9
219.06519	0.2
221.04597	1.9
231.06622	0.8
239.05585	0.2
249.07660	0.6
307.08331	1.2
311.07791	0.3
355.00607	0.2
419.23996	0.2
478.25342	0.3
529.13818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
70.55145	0.1
71.01389	0.6
73.02947	2.2
75.31854	0.1
76.57723	0.1
81.00274	0.1
87.00895	0.2
89.02484	0.2
89.94038	0.1
93.03451	0.3
96.96010	5.5
96.96967	0.2
99.00874	1.2
99.92588	6.9
101.02466	0.2
109.02963	0.3
111.00996	0.1
112.23601	0.1
114.93435	0.2
116.92863	100.0
117.01936	4.2
117.05560	0.2
117.92889	0.8
119.05020	0.3
135.04514	1.2
145.02945	1.1
149.06134	0.6
161.02467	0.2
163.03973	0.2
177.05589	0.7
179.03461	0.2
189.05571	0.8
191.05659	0.7
207.06653	0.3
210.20329	0.1
221.04604	0.9
307.08127	0.2
348.23941	0.1
445.17914	0.2
544.10162	0.1
619.16626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3856
Annotation	Diospyrosooleanolide
Peak:m/z	Relative Intensity
60.86337	1.0
67.80795	1.2
84.02673	1.0
92.10778	1.4
117.03438	5.1
119.05025	83.4
129.21654	1.0
132.05823	1.7
145.02916	7.5
163.04022	84.1
237.47012	1.1
263.70096	1.1
447.58990	1.6
453.33847	32.1
583.70074	1.2
617.38550	100.0
618.38306	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	618.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99753	1.4
59.01386	67.1
66.99902	1.7
72.47459	1.8
186.18585	1.9
225.09303	4.2
337.18085	4.0
481.26028	3.8
497.29193	100.0
515.30286	12.5
616.52338	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	618.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36508	3.4
58.41417	3.5
59.01101	7.3
59.01387	100.0
59.01660	6.3
71.32765	3.8
82.95424	69.8
84.00919	32.2
134.41962	5.0
135.93587	4.4
174.58630	3.7
214.89832	4.1
393.96088	4.5
481.26331	5.3
497.29224	81.3
515.30225	26.0
545.90259	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	618.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40961	2.0
54.61134	1.9
59.01386	88.2
60.07264	2.1
73.31630	2.4
90.19427	2.3
143.95615	2.7
193.19081	2.7
212.70158	2.5
242.48645	3.3
310.27594	2.9
425.60242	2.7
497.29190	100.0
515.30035	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	619.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11183	0.4
54.04034	0.4
57.03456	0.7
58.56864	0.4
59.01387	20.7
60.99323	2.1
61.98838	4.6
63.96247	0.5
67.01895	4.3
69.03458	0.6
71.01382	6.9
72.99319	0.9
73.02937	3.6
81.03471	1.0
83.01403	0.6
83.05034	0.8
85.02953	11.5
85.03386	0.6
87.00884	7.7
88.98830	0.8
89.02463	5.5
93.03455	22.7
93.04005	0.9
94.03811	0.6
96.96000	4.6
99.00903	1.0
101.02438	5.9
106.02377	0.5
109.02995	0.9
111.04523	4.1
113.02463	3.5
119.03534	0.6
120.99648	0.6
121.02905	1.6
125.02422	0.7
127.04006	1.2
129.01920	0.5
133.02971	2.2
134.03790	1.1
135.04543	24.9
137.02495	1.0
155.03493	0.7
161.02463	11.7
161.04573	1.2
173.04590	6.0
179.03514	15.2
191.05649	100.0
221.06827	0.5
331.45816	0.5
353.08798	4.4
395.10120	0.8
397.20581	0.7
450.53488	0.5
478.25009	2.9
559.27405	1.0
619.16766	43.5
620.17645	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	617.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	88.8
69.16624	2.2
70.55940	1.8
71.63772	2.0
72.14243	1.9
75.00890	23.8
81.56448	2.0
85.76739	1.9
101.02455	3.4
103.00383	100.0
103.03993	17.0
107.14443	2.0
186.91957	2.1
314.54279	2.2
388.09366	2.5
414.40649	2.1
501.70233	2.3
577.14380	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	617.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44872	4.6
59.01384	68.2
71.01373	50.6
77.73599	5.7
85.02967	6.4
88.03489	5.0
89.02455	70.5
96.96009	63.0
97.18463	5.1
99.92636	7.8
101.02441	27.7
106.97581	5.5
113.02452	13.7
116.92870	100.0
119.03490	21.0
145.65588	5.5
161.02496	6.9
165.48416	5.5
179.05605	32.9
191.05576	9.3
257.91702	5.7
368.59076	5.9
401.16214	55.5
402.74463	6.3
581.22278	94.6
617.20490	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	617.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
62.92467	0.1
70.09885	0.1
78.95924	1.4
79.95751	1.5
90.63091	0.1
92.10238	0.6
92.10767	0.2
96.96021	100.0
96.97006	2.5
98.95605	1.0
98.96436	0.2
114.38468	0.1
115.92062	0.2
186.74373	0.1
191.05667	0.2
293.61151	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	617.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.3
57.03459	2.3
57.17677	0.4
58.00585	0.5
58.49688	0.5
59.01385	27.9
59.99900	0.4
69.03449	0.8
71.01380	30.1
72.99306	1.2
73.02946	13.7
75.00871	0.6
78.95919	2.2
83.01393	5.8
85.02948	17.4
87.00880	2.8
89.02447	13.9
95.01383	2.4
96.08939	0.5
96.96006	60.7
96.96994	2.5
97.02941	2.2
99.00880	5.1
101.02446	34.3
111.00903	0.7
113.02451	14.8
115.03996	1.1
119.03487	3.0
120.41608	0.5
122.24764	0.5
125.02446	5.5
131.03508	2.2
137.02429	0.6
138.04477	0.5
143.03459	1.9
149.04570	0.8
159.02986	2.8
161.04572	10.2
167.03528	0.5
175.99002	0.5
191.05634	0.7
204.10054	0.5
214.84807	0.5
224.02930	0.6
233.06596	0.8
263.15045	27.4
285.07562	0.7
332.51904	0.7
377.18839	0.5
395.19293	17.4
425.20450	6.2
557.24579	100.0
558.25049	1.0
581.22321	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	615.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78098	3.4
57.03463	7.6
59.01401	3.1
59.99633	3.2
61.98848	3.1
73.98438	3.6
83.35944	3.3
92.10730	5.1
117.03463	18.3
119.05045	59.9
121.03052	4.6
145.02975	52.4
152.06676	3.3
163.04045	56.1
238.07793	3.6
381.51276	4.2
439.32068	6.1
488.88916	3.6
557.36304	6.3
597.39960	5.8
615.36969	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	615.37
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95824	0.4
58.12565	0.4
69.87856	0.4
117.02689	1.2
117.03472	30.6
118.04337	1.9
119.05006	3.4
121.02949	11.7
123.04517	5.0
127.71938	0.5
128.50615	0.5
132.05942	1.1
133.02972	3.7
134.03835	1.0
145.01369	2.4
145.02965	79.9
146.03418	0.5
162.03215	4.2
163.04192	3.0
364.72397	0.5
387.77002	0.6
555.28442	0.6
571.38019	100.0
572.38428	3.0
615.36975	38.2
639.90308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06354	1.8
81.73310	2.0
92.10069	2.1
95.61290	2.0
117.03483	24.5
119.05022	3.2
121.02969	14.1
123.04526	3.0
124.53857	1.9
130.05908	1.8
132.05803	2.3
133.02924	1.9
145.02966	100.0
162.03224	2.6
163.04022	3.0
196.88091	1.8
216.89650	2.1
268.77881	1.9
428.97913	2.4
556.67682	2.2
571.38025	98.2
579.29242	3.8
615.37146	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.8
57.03451	2.3
58.00601	0.9
59.01383	30.9
61.98834	0.6
69.03450	0.8
71.01381	33.6
71.97926	0.4
72.99321	1.7
73.02943	14.3
75.00872	0.9
78.95921	0.8
79.74615	0.4
79.95729	0.6
83.01391	7.5
85.02952	16.9
87.00882	2.7
89.02444	14.9
93.03455	1.7
95.01383	3.3
96.96009	45.8
96.96976	1.4
97.02940	3.5
97.04240	0.4
99.00873	5.8
101.02446	37.0
101.21389	0.5
111.00877	1.0
113.02454	14.3
115.03991	0.9
119.03477	1.5
123.04515	0.6
123.44550	0.5
124.01713	0.5
125.02456	6.9
131.03481	2.0
134.03726	0.7
135.04529	0.6
137.02429	0.9
138.03143	0.5
143.03522	0.7
149.04517	0.5
150.03232	0.6
152.01166	0.9
159.02963	2.6
160.01653	0.7
161.02510	0.7
161.04568	11.9
167.03526	0.9
175.04027	0.4
187.09514	0.5
191.05597	2.1
193.05174	0.7
233.06554	0.6
263.15012	26.4
331.11819	0.8
368.32401	0.4
395.19232	18.4
425.20352	8.2
554.15399	0.5
557.24567	100.0
581.22375	5.5
617.20380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96449	0.2
55.01894	0.3
59.01390	4.8
61.98846	1.1
71.01383	3.9
73.02963	0.6
82.95431	1.0
83.01394	1.1
85.02955	2.0
89.02461	1.3
89.03996	0.3
95.01411	0.3
97.02967	0.3
97.84379	0.3
99.00893	0.3
101.02445	3.2
103.66116	0.2
105.03503	0.2
107.05042	0.2
113.02419	1.7
117.03477	1.2
117.53787	0.2
132.02191	1.6
133.02963	34.6
134.03697	1.3
135.04532	12.2
139.04015	0.5
150.03317	0.2
161.02460	100.0
162.02771	0.4
179.03525	5.8
210.51546	0.2
221.04556	0.3
254.99536	0.2
339.04391	0.2
422.90921	0.2
430.50421	0.3
471.37177	0.2
615.26685	52.8
616.26959	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	615.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96449	0.2
55.01894	0.3
59.01390	4.8
61.98846	1.1
71.01383	3.9
73.02963	0.6
82.95431	1.0
83.01394	1.1
85.02955	2.0
89.02461	1.3
89.03996	0.3
95.01411	0.3
97.02967	0.3
97.84379	0.3
99.00893	0.3
101.02445	3.2
103.66116	0.2
105.03503	0.2
107.05042	0.2
113.02419	1.7
117.03477	1.2
117.53787	0.2
132.02191	1.6
133.02963	34.6
134.03697	1.3
135.04532	12.2
139.04015	0.5
150.03317	0.2
161.02460	100.0
162.02771	0.4
179.03525	5.8
210.51546	0.2
221.04556	0.3
254.99536	0.2
339.04391	0.2
422.90921	0.2
430.50421	0.3
471.37177	0.2
615.26685	52.8
616.26959	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	615.3701
Annotation	(-)-Norpleiomutine
Peak:m/z	Relative Intensity
55.84860	1.0
56.14268	1.1
59.01389	1.3
61.22094	1.1
63.11588	1.0
63.21476	1.0
68.90728	1.0
80.96520	1.5
97.06595	2.0
100.82852	1.4
102.80083	1.1
117.03472	11.1
119.05035	84.2
144.01518	1.2
145.02969	23.9
153.58017	1.2
163.04034	77.9
173.61433	1.3
174.24715	1.4
196.69879	1.3
322.49377	1.5
439.32007	2.5
441.69897	1.4
451.32211	22.9
555.28540	1.6
571.37787	5.1
615.37006	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	615.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.3
62.33196	0.4
62.73683	0.4
67.01907	0.8
68.19588	0.3
71.01385	4.6
73.02984	0.6
73.69854	0.5
76.98251	0.4
81.03486	0.6
82.32273	0.3
83.05032	0.5
85.02958	7.2
87.00865	2.8
89.02437	4.0
91.08743	0.4
93.03460	9.9
95.32423	0.5
96.96019	14.0
99.00909	0.6
101.02451	1.8
107.05037	0.5
109.02962	0.8
111.04575	3.9
113.02444	0.7
113.04887	0.4
117.03479	0.4
117.05601	0.9
119.03529	0.7
121.02993	0.5
127.04014	2.0
127.83341	0.5
133.02959	2.4
134.03760	2.3
135.04535	70.9
135.23843	0.4
137.02437	0.6
143.03522	0.5
155.03485	1.9
161.02490	5.9
165.01917	0.6
173.04532	4.7
179.03519	56.3
180.04143	0.4
186.20764	0.4
189.02228	0.5
191.05646	100.0
192.05930	0.6
221.10150	0.8
223.09735	0.6
253.99188	0.4
260.67517	0.5
281.15002	0.4
323.08008	0.5
353.08878	10.7
423.13516	0.8
441.14053	6.6
555.23511	2.4
615.19440	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34819	0.3
55.01891	3.3
57.03464	0.8
58.00595	0.5
59.01388	50.6
61.98840	2.0
69.03471	0.7
71.01382	40.1
71.57455	0.4
72.99303	0.8
73.02951	12.7
78.95910	0.7
81.03473	0.4
83.01402	4.9
84.79880	0.4
85.02955	13.5
85.03455	0.7
87.00857	3.5
89.02439	52.8
93.03459	0.7
95.01388	2.7
96.96006	22.4
97.02925	2.3
97.66701	0.4
99.00875	12.6
101.02441	30.0
111.41953	0.4
113.01705	0.8
113.02452	17.8
115.04004	0.8
119.03497	12.5
125.02436	7.2
131.03473	5.6
133.02907	0.5
135.04546	3.2
143.03519	2.7
149.04550	9.1
159.03004	0.9
161.02470	0.9
161.04547	5.1
173.04515	1.7
179.03484	1.6
179.05618	4.0
179.06950	0.5
191.05618	6.3
193.56505	0.4
195.08589	0.4
195.10370	0.4
221.06604	1.9
251.07870	0.5
255.44501	0.4
261.13480	2.5
393.17728	16.7
401.52069	0.4
423.13416	0.8
423.18695	7.3
515.06512	0.5
555.22992	100.0
556.23187	1.9
577.21082	0.7
608.85498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56655	0.1
58.98366	0.1
59.01389	0.2
62.39825	0.1
70.69549	0.1
71.96664	0.1
73.02938	0.2
74.12556	0.1
78.95908	2.5
79.52504	0.1
79.95734	1.6
87.00842	0.1
89.02444	0.5
93.03442	0.2
94.98065	0.5
96.96008	100.0
96.96887	3.2
99.00862	0.3
101.02464	0.2
112.22459	0.1
113.31808	0.1
133.06079	0.1
135.04527	1.5
137.02498	0.1
156.19258	0.1
173.04518	0.8
179.03540	0.9
191.05595	0.5
243.05168	0.1
280.51688	0.1
357.84091	0.1
615.25891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01381	2.5
59.79498	0.2
60.99325	0.9
61.98849	0.4
67.01897	2.7
69.03479	0.5
71.01382	2.2
73.02941	0.3
81.03461	0.4
83.05037	0.4
85.02958	6.7
87.00875	5.2
88.98837	0.3
89.02466	0.4
92.65347	0.3
93.03460	19.7
96.96015	8.7
96.96594	0.3
96.96964	0.3
99.00902	0.3
99.04444	0.3
101.02480	0.3
107.05021	0.3
109.02997	0.9
111.04528	3.6
113.02480	0.4
127.04019	2.1
129.01938	0.3
133.02965	2.2
134.03748	0.5
135.04533	24.3
137.02435	0.9
155.03560	1.1
161.02473	9.0
171.02960	0.3
173.04578	4.6
179.03517	16.0
191.05646	100.0
192.06042	1.0
292.55447	0.3
308.48080	0.2
353.08926	3.5
395.09979	1.0
497.13196	0.4
521.53979	0.3
546.16492	0.2
615.19440	45.3
616.19867	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	615.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.9
61.98842	5.5
65.47449	1.3
67.01877	1.4
69.22399	1.1
71.01380	3.4
73.02948	1.4
85.02956	11.4
87.00891	3.1
89.02478	2.9
93.03473	3.2
96.96024	5.4
101.02450	1.8
105.85353	1.3
108.09199	1.4
117.05604	2.4
123.68893	1.4
133.02937	10.1
135.04533	11.4
160.01697	2.0
161.02440	47.4
163.03894	1.4
173.04552	2.4
179.03561	9.6
191.05630	100.0
342.80341	1.4
371.49222	1.5
398.06955	1.5
423.13174	13.8
609.86292	1.6
615.19489	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	615.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.3
62.33196	0.4
62.73683	0.4
67.01907	0.8
68.19588	0.3
71.01385	4.6
73.02984	0.6
73.69854	0.5
76.98251	0.4
81.03486	0.6
82.32273	0.3
83.05032	0.5
85.02958	7.2
87.00865	2.8
89.02437	4.0
91.08743	0.4
93.03460	9.9
95.32423	0.5
96.96019	14.0
99.00909	0.6
101.02451	1.8
107.05037	0.5
109.02962	0.8
111.04575	3.9
113.02444	0.7
113.04887	0.4
117.03479	0.4
117.05601	0.9
119.03529	0.7
121.02993	0.5
127.04014	2.0
127.83341	0.5
133.02959	2.4
134.03760	2.3
135.04535	70.9
135.23843	0.4
137.02437	0.6
143.03522	0.5
155.03485	1.9
161.02490	5.9
165.01917	0.6
173.04532	4.7
179.03519	56.3
180.04143	0.4
186.20764	0.4
189.02228	0.5
191.05646	100.0
192.05930	0.6
221.10150	0.8
223.09735	0.6
253.99188	0.4
260.67517	0.5
281.15002	0.4
323.08008	0.5
353.08878	10.7
423.13516	0.8
441.14053	6.6
555.23511	2.4
615.19440	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59629	0.1
55.14673	0.1
55.73053	0.1
57.45704	0.1
59.01387	1.0
61.98838	1.5
71.01381	0.9
73.02978	0.2
78.95901	2.5
79.95746	1.9
82.95421	0.2
85.02966	0.2
87.00851	0.1
88.98809	1.0
89.02455	0.7
93.03460	0.3
96.96011	100.0
96.96893	3.8
101.02453	0.3
109.03012	0.2
109.03717	0.1
113.02494	0.1
116.92924	0.2
119.05001	0.2
120.99648	0.3
133.10185	0.1
135.04541	1.1
145.02919	0.3
160.01640	0.2
161.02466	0.2
163.03986	0.2
173.04626	0.2
175.03989	0.2
179.03506	0.9
191.05666	0.7
200.74426	0.2
205.05182	0.2
210.68607	0.1
336.92365	0.2
339.35760	0.2
487.12820	0.2
622.24506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57979	0.7
62.63270	0.6
92.10790	4.6
216.84702	1.0
220.88434	1.0
283.26462	100.0
284.26682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.3
61.98833	100.0
66.47642	0.4
71.01390	1.5
72.21268	0.3
75.06156	0.3
79.91669	0.3
82.95408	0.5
85.02944	0.7
85.06346	0.3
91.01540	0.3
92.42540	0.3
101.02469	0.6
108.69479	0.3
150.03264	0.8
165.05563	1.3
195.06606	0.7
196.66882	0.3
284.75089	0.4
364.40683	0.4
510.31812	0.4
536.32019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47935	0.1
78.95902	6.1
79.95737	2.6
94.98077	0.2
95.97604	0.2
96.96007	100.0
96.96906	8.0
118.00327	0.2
128.55818	0.2
139.91869	0.1
169.15622	0.2
176.16982	0.2
177.35600	0.2
199.24323	0.2
248.49335	0.2
389.92551	0.2
446.12961	0.2
515.29846	0.2
592.90430	0.2
611.05402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56136	0.2
73.28833	0.2
93.48359	0.2
107.53048	0.2
116.92870	1.9
134.24420	0.3
207.01781	0.3
221.69429	0.3
240.35179	0.2
255.23326	100.0
256.23685	0.3
256.71170	0.3
274.03302	0.3
346.49728	0.3
397.75500	0.3
511.91513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15239	0.6
51.75736	0.5
55.98221	0.5
92.77345	0.6
100.54752	0.6
116.92862	3.9
117.44775	0.7
134.89476	0.8
200.88722	0.7
217.33783	0.7
223.82520	0.7
232.80548	0.7
255.23338	100.0
445.41043	0.7
560.08075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.4
61.98833	19.3
62.39077	0.9
71.01379	2.3
80.05053	8.2
82.95417	1.5
95.96735	1.1
101.02425	1.7
106.06629	20.7
108.04552	20.4
108.08227	7.0
113.20309	1.1
122.06104	8.7
124.07652	11.0
132.04553	14.6
134.06122	9.1
134.09732	5.3
136.07686	45.5
148.07707	1.2
150.05513	2.4
152.07191	6.7
160.65494	1.3
166.55908	1.0
167.16026	1.2
168.06793	2.0
178.05093	5.4
189.56519	1.1
199.12451	1.7
212.10565	1.6
213.10313	4.8
224.09509	6.9
225.10306	6.2
239.11929	8.2
241.13495	1.5
242.10649	2.1
244.08224	1.8
255.11427	6.9
257.12982	100.0
259.59891	1.3
283.11044	1.7
285.12546	5.6
329.11398	5.2
374.18991	1.3
392.19852	2.4
418.21582	2.2
421.62296	1.5
436.12863	2.6
436.18839	65.3
462.20480	6.1
467.20718	1.2
553.31512	1.2
569.24164	34.3
595.22247	2.2
613.23096	98.6
614.22717	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	613.2329
Annotation	C11829
Peak:m/z	Relative Intensity
51.45005	0.4
55.01894	0.8
55.20676	0.4
58.00596	0.4
59.01381	8.0
61.98832	12.8
61.99126	0.8
71.01374	5.4
72.99304	1.0
73.02955	2.2
79.95731	9.2
80.96510	5.8
83.01418	0.5
85.02953	3.4
87.00865	2.0
88.98815	2.7
89.02446	1.1
96.96004	78.1
99.00877	0.8
101.02435	6.7
113.02438	2.6
125.02457	0.5
134.69315	0.4
135.04485	0.8
137.96281	0.6
138.97067	5.3
150.97089	0.8
161.02400	0.7
166.96585	0.7
173.04578	0.5
180.98093	0.6
191.05614	2.3
228.44807	0.5
241.00253	11.2
528.46497	0.6
553.32178	2.7
612.37756	0.7
613.23328	100.0
614.24078	2.4
641.46796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86482	65.0
85.25173	77.8
117.63102	78.6
137.35263	76.7
149.61920	77.6
156.82927	76.8
161.36943	79.5
202.75873	100.0
214.99701	87.4
227.15199	94.3
402.57532	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98834	100.0
71.01408	0.1
85.02958	0.7
96.95992	0.2
97.02939	0.2
98.03348	0.1
162.76439	0.1
550.31104	0.3
551.31201	0.6
552.31787	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	34.5
69.03445	3.9
70.41772	2.1
71.01390	35.5
73.02953	5.1
73.57952	2.1
83.01406	3.5
85.02965	13.3
87.00904	3.1
89.02459	42.6
93.03443	3.5
96.96012	36.6
97.02975	4.6
99.00887	9.7
101.02482	3.0
104.16367	2.2
113.02486	2.8
117.74233	2.3
125.02442	19.4
131.03630	3.2
133.02960	13.9
135.04582	5.7
136.01659	13.7
143.03568	3.9
149.04631	3.3
151.04031	4.0
166.22786	2.2
173.04581	3.3
191.05641	65.9
213.05609	12.7
223.04129	3.0
224.04703	2.5
233.06639	18.7
238.59583	2.7
241.05128	100.0
256.07477	60.2
265.24228	2.3
271.09805	74.1
293.08905	31.2
319.11859	5.8
351.07169	5.5
462.04074	2.7
579.13916	3.2
613.21332	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	613.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28748	0.5
59.01385	8.9
61.98833	22.2
64.34637	0.5
71.01390	3.7
73.02946	1.2
80.05052	7.8
85.02962	0.9
89.02436	2.3
101.02435	2.7
106.06626	21.0
108.04559	18.2
108.08222	5.2
120.04605	0.6
121.23228	0.5
122.06126	7.1
124.07684	13.6
132.03645	0.7
132.04552	15.9
132.08191	1.4
133.05283	0.7
134.06128	10.1
134.09750	4.1
136.07675	39.6
148.07684	1.0
150.05611	3.6
152.07169	7.6
160.01688	0.8
161.02350	0.8
161.04550	0.7
168.06815	2.6
178.05150	6.0
182.41821	0.5
183.09358	4.8
187.82681	0.6
193.05115	0.7
199.12428	1.0
210.07951	1.1
211.08865	0.9
212.10855	1.3
213.10355	3.8
213.13913	1.1
214.12389	0.7
223.08911	0.6
224.09572	4.1
225.10373	6.9
239.11888	7.9
241.09856	2.2
241.13538	2.4
242.10527	2.5
255.11293	6.5
257.12994	100.0
258.13342	0.7
267.11359	3.3
283.10931	3.7
285.12378	3.7
299.10477	0.9
299.33658	0.6
327.09814	0.7
329.11447	4.7
364.16742	2.5
390.18317	1.3
392.19702	4.8
400.80688	0.6
402.18384	0.8
418.21692	2.4
436.18866	56.6
462.20419	6.0
467.20633	0.9
497.21790	1.1
525.24969	1.2
551.23236	1.0
553.29462	3.5
553.79822	1.3
569.24200	27.2
570.24280	0.7
595.22363	2.0
613.23102	89.3
614.23169	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	611.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.0
57.03448	3.0
59.01387	53.3
61.98837	95.3
71.01388	41.8
73.02956	19.4
75.00858	2.6
79.28960	1.8
83.01402	8.3
85.02962	19.5
87.00877	3.6
87.28915	1.9
88.98830	4.4
89.02449	23.0
92.33247	2.3
93.03475	3.2
95.01380	2.5
96.95989	2.0
99.00898	9.7
101.02430	33.1
109.02993	2.5
111.00917	2.8
113.02426	14.3
121.02984	2.0
135.04489	2.4
141.89635	1.9
157.60487	2.3
159.03073	2.4
161.02455	2.5
161.04616	4.0
180.67578	2.0
191.05595	12.3
195.73186	2.2
233.06578	2.4
272.88770	2.1
283.06348	2.0
317.26880	4.3
479.32376	18.9
551.30365	12.6
611.36621	100.0
638.77289	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.0
57.03448	3.0
59.01387	53.3
61.98837	95.3
71.01388	41.8
73.02956	19.4
75.00858	2.6
79.28960	1.8
83.01402	8.3
85.02962	19.5
87.00877	3.6
87.28915	1.9
88.98830	4.4
89.02449	23.0
92.33247	2.3
93.03475	3.2
95.01380	2.5
96.95989	2.0
99.00898	9.7
101.02430	33.1
109.02993	2.5
111.00917	2.8
113.02426	14.3
121.02984	2.0
135.04489	2.4
141.89635	1.9
157.60487	2.3
159.03073	2.4
161.02455	2.5
161.04616	4.0
180.67578	2.0
191.05595	12.3
195.73186	2.2
233.06578	2.4
272.88770	2.1
283.06348	2.0
317.26880	4.3
479.32376	18.9
551.30365	12.6
611.36621	100.0
638.77289	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82869	1.1
55.01897	4.3
57.03461	3.7
58.00615	1.5
58.79304	0.7
59.01385	100.0
60.05192	0.6
61.98849	1.7
66.77850	0.7
67.01891	0.7
68.87681	0.8
71.01383	42.6
72.99319	0.9
73.02950	11.2
75.50362	0.7
83.00998	0.9
83.01390	7.6
85.02956	22.4
87.00885	1.6
88.98813	1.2
89.02444	20.2
89.06120	0.7
93.03452	10.8
95.01392	8.0
95.04992	1.2
99.00869	4.2
101.02441	29.6
111.00896	0.9
113.02464	18.0
119.03500	7.7
121.02975	4.9
122.03741	5.3
123.04530	3.1
131.03537	1.0
143.03458	1.1
159.02988	1.1
161.04564	7.0
179.05603	1.0
185.65363	0.8
191.05580	1.7
246.06604	0.8
291.31531	0.8
316.35623	1.1
327.23279	1.7
353.21326	8.3
371.22299	5.3
389.23453	4.1
414.39557	0.9
507.26031	4.2
515.26617	28.6
533.27631	65.3
551.28729	77.3
552.28967	1.1
611.31512	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	611.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33413	0.6
55.01893	4.3
57.03464	3.6
58.00592	1.1
59.01385	64.8
60.70276	0.7
61.98828	6.0
69.03474	0.9
71.01382	36.6
72.99314	5.1
73.02943	12.1
82.73993	0.8
83.01402	7.1
85.02954	22.9
85.65837	0.8
87.00887	4.2
88.98797	6.1
89.02448	14.1
93.03450	13.2
95.01381	10.0
95.04997	0.9
97.06592	0.8
99.00894	4.8
101.02446	32.3
113.00340	0.9
113.02466	20.7
119.03526	3.8
119.05049	1.1
121.02969	10.3
122.03744	5.5
122.53230	0.9
123.04534	3.8
125.02493	1.2
135.04550	1.3
149.04623	0.9
159.02924	1.4
161.04573	5.6
173.04527	1.2
179.03564	0.9
183.08261	0.9
191.05618	5.1
210.75800	1.0
225.09390	1.2
236.27284	0.9
257.48428	0.8
337.18228	1.8
353.21329	10.9
371.22263	5.0
388.33371	1.0
420.88672	0.9
452.07220	0.9
507.25894	6.1
515.26660	36.1
533.27612	100.0
534.27203	1.2
551.28760	37.0
611.27765	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	611.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65999	17.0
54.20259	22.7
59.01393	87.7
60.81958	20.2
64.07333	20.6
66.23201	21.4
67.08483	17.9
92.10817	48.6
114.83854	20.0
165.98639	23.8
195.27448	20.3
196.90277	22.7
271.41431	21.8
277.99295	23.2
366.46109	23.3
391.73859	20.1
396.23206	21.1
406.80054	21.4
458.69910	20.6
497.29294	100.0
515.30286	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	611.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95671	15.3
51.99050	16.0
52.27347	16.7
59.01388	84.6
61.98841	40.8
69.16875	20.4
82.03849	18.2
96.96029	100.0
133.91541	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	611.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67422	68.0
79.72121	72.8
82.68166	69.7
92.31605	78.1
125.09695	100.0
617.33142	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	75.1
71.31493	44.9
73.56620	46.8
126.94392	59.7
149.01514	52.2
165.66643	48.1
194.27893	59.0
212.91420	47.7
219.49365	55.9
439.18265	52.7
485.58398	51.3
497.29352	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	611.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90593	10.3
51.41522	10.8
52.21314	10.8
59.01383	18.1
70.61069	12.1
75.00873	100.0
76.31657	12.0
77.09034	11.1
105.42603	11.2
126.21253	11.6
150.56833	11.8
151.04407	10.7
178.03070	13.6
299.25464	16.6
315.16736	13.1
497.28970	19.9
543.28430	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	611.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	45.1
59.32650	41.4
63.43414	40.7
70.04056	41.8
73.20811	38.3
77.32153	42.0
92.10098	100.0
94.21566	38.3
184.05783	61.2
194.16328	52.2
470.60562	49.6
470.67563	47.1
497.28885	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16483	8.7
57.05400	8.5
59.01394	13.7
66.86383	9.5
70.48806	9.5
79.95732	9.2
94.98085	100.0
116.68279	11.2
119.04700	9.2
134.88197	10.7
177.30814	9.3
201.40591	10.2
202.42609	11.7
393.19296	14.0
497.29379	16.2
513.50037	10.5
629.08154	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	611.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67133	1.7
57.03496	2.3
59.01395	80.4
61.98840	17.2
62.48479	1.5
71.01397	38.7
72.40272	2.0
72.99316	2.7
73.02926	2.6
74.99134	2.5
81.58160	1.8
83.47334	1.8
85.02982	9.7
87.00890	5.0
88.98846	11.8
89.02451	41.5
89.76675	1.8
93.03474	3.7
95.63288	1.8
96.96072	3.1
99.00894	2.0
101.02460	24.8
113.02475	10.6
115.09933	1.8
119.03506	7.9
125.85365	2.4
131.03476	2.5
133.03001	2.5
135.04527	4.2
139.03987	3.8
151.04100	2.4
159.04456	2.3
161.02477	4.4
162.50491	1.8
166.02719	8.5
179.03539	3.0
179.05591	2.5
181.05106	10.0
187.03986	10.3
191.05652	10.1
193.05046	2.0
203.03658	2.3
232.07951	2.2
265.05286	2.3
293.04498	3.5
307.06189	2.3
308.06985	4.0
322.08527	2.5
323.09235	12.5
338.11795	2.8
339.08817	2.9
348.67422	2.0
353.09875	3.2
369.09729	11.5
369.13599	9.9
384.12354	14.2
399.09293	3.6
399.14526	100.0
611.16803	2.6
611.26904	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	610.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19839	0.2
59.01395	2.2
61.98837	100.0
65.09042	0.2
73.02941	0.2
77.72001	0.2
83.01353	0.2
85.02966	0.4
89.02475	0.2
96.71326	0.2
108.76130	0.2
304.70267	0.2
348.95078	0.2
514.27905	0.3
532.29224	0.3
549.30597	0.3
550.30878	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	610.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
61.98841	100.0
68.84108	0.2
71.01472	0.2
75.00888	1.3
85.02978	0.4
86.92153	0.2
95.14474	0.2
112.20110	0.2
113.79115	0.2
119.08644	0.3
120.09039	0.3
142.68629	0.2
171.21278	0.2
191.05630	0.2
339.25632	0.2
341.66623	0.2
532.30029	0.9
545.52496	0.2
549.30469	0.4
550.30853	2.1
561.14923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60271	0.2
55.73487	0.2
57.03471	0.2
59.01397	4.0
60.01717	0.2
61.98846	100.0
67.72509	0.2
71.01401	1.4
71.05023	0.1
73.02963	0.4
81.03467	0.2
83.01429	0.3
83.05043	0.2
85.02968	1.0
89.02443	0.8
89.65232	0.2
90.20337	0.2
93.03460	0.2
96.96021	1.0
97.06601	0.3
101.02465	1.0
113.02439	0.3
123.53516	0.2
129.05620	0.2
191.05606	0.4
414.65549	0.2
444.53873	0.2
532.29510	1.3
550.30542	1.2
610.15167	0.2
611.36176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
106.55582	79.2
191.17833	86.9
203.30772	83.9
251.84697	100.0
395.25296	87.2
607.78662	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17766	0.4
50.32327	0.5
56.98976	0.6
59.01392	5.0
67.01915	0.5
71.01387	4.7
73.02958	1.0
74.70989	0.5
74.95278	0.4
77.24582	0.5
85.02972	2.7
87.00897	0.9
88.98820	2.4
89.02451	3.9
91.01938	0.5
93.03459	3.5
99.00888	1.0
101.02452	2.8
108.02175	0.5
109.02956	1.0
120.02190	1.0
121.02956	100.0
123.04539	0.6
135.04524	4.4
137.02429	3.4
139.00398	0.5
149.04579	0.6
151.04021	0.7
153.01942	0.6
165.05602	1.0
167.03485	1.1
173.04576	0.9
177.05557	2.3
181.04988	0.6
191.05679	6.3
208.06664	0.6
209.04572	51.2
234.23961	0.6
267.06665	1.2
293.04749	0.9
311.05609	1.1
329.12967	0.5
339.05255	0.8
401.14532	2.3
439.10263	0.7
449.10693	2.1
483.09674	1.3
551.27631	1.0
606.83862	0.6
637.90271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19780	0.6
52.83356	0.6
55.01895	1.0
57.03448	0.9
57.71560	0.6
58.00591	1.2
59.01387	60.7
60.21053	0.7
61.76647	0.7
61.98851	1.4
71.01379	27.1
72.99314	4.6
73.02959	1.7
82.17527	0.8
83.01395	1.8
85.02956	10.3
87.00880	3.4
88.98818	3.2
89.02448	31.5
93.03452	4.2
95.01394	1.7
96.96008	4.0
97.02972	0.9
98.47474	0.9
99.00887	1.5
101.02450	14.1
105.01912	1.1
109.02965	1.4
113.02452	8.4
119.03510	8.8
121.02979	1.2
124.01665	4.6
133.02963	1.0
135.04524	3.3
137.02434	1.2
138.03194	1.5
139.04015	9.4
143.03452	1.0
149.04518	0.9
151.00365	3.9
151.04051	0.9
152.01186	1.2
159.04517	3.2
159.15347	0.9
161.02449	3.1
161.04607	1.7
163.03984	1.0
165.01878	1.0
166.02745	8.6
167.03467	3.6
173.04488	0.8
174.03189	1.1
175.04057	3.5
177.01950	0.8
178.02782	1.4
179.03418	1.7
179.05602	1.6
181.03705	1.2
181.05058	7.7
187.04031	8.6
188.04779	1.3
189.05447	0.9
190.06300	1.2
191.05620	12.8
191.07175	2.1
193.04999	1.3
195.06589	1.2
202.02731	1.9
203.03513	3.9
208.07466	0.9
215.03502	1.0
216.04329	1.0
217.05031	3.9
218.05721	1.0
223.06114	1.0
230.52621	0.8
232.07399	3.1
239.37122	0.9
239.60402	0.8
264.04346	1.2
265.04977	1.6
277.05222	1.1
291.06668	1.0
293.04434	2.9
300.02765	1.7
305.04602	1.1
308.06931	3.8
311.05377	1.1
322.04813	1.0
322.08392	1.5
323.09198	7.0
324.06448	1.1
325.07245	1.1
338.07968	1.7
338.11740	1.5
339.05103	1.5
339.08719	3.5
340.09634	1.3
341.10477	1.8
352.08612	0.9
353.10379	5.6
354.07443	1.7
359.15121	10.6
368.12903	1.0
369.09747	16.2
369.13699	3.6
383.11395	4.2
384.12271	12.7
389.16135	1.2
399.14560	100.0
400.14786	1.7
523.32697	1.0
551.27832	4.6
567.31976	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	609.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43375	0.8
55.01899	1.5
57.03455	1.9
57.03772	0.7
58.66603	0.7
59.01389	100.0
59.61226	0.7
61.98837	20.6
61.99121	1.2
69.03484	0.9
71.01386	12.5
72.99302	1.4
73.02962	2.0
78.94019	0.9
81.03473	7.0
83.01420	4.1
83.05044	5.0
84.02196	1.3
85.02960	21.4
87.00889	1.0
88.02247	0.8
89.02477	5.7
93.03464	6.9
95.01402	4.2
97.06614	5.1
99.00919	1.7
99.04513	1.0
101.02464	6.2
103.65838	0.9
105.34499	0.8
108.02246	1.1
109.02980	6.1
111.04546	1.2
121.02979	4.5
121.87772	0.9
122.03776	4.0
123.04517	1.1
127.04035	6.0
128.88736	0.9
133.10229	1.3
135.08192	1.7
151.00458	1.2
163.07693	9.9
182.19577	1.0
184.94185	1.0
191.05632	3.8
198.21095	0.9
249.18701	2.0
271.02582	3.8
300.02756	4.4
301.03317	1.0
309.35031	0.8
346.48535	1.0
407.24506	2.0
443.34164	1.0
469.30103	1.2
480.67810	1.1
487.30594	1.4
513.28772	5.7
531.29779	47.9
549.30853	47.2
609.14789	1.8
609.27917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4146
Annotation	Manadomanzamine A
Peak:m/z	Relative Intensity
52.39275	0.8
59.01380	4.0
83.05050	1.1
87.80128	0.9
92.10748	2.6
92.65982	1.3
95.05057	2.2
121.10228	23.4
171.10280	64.1
185.11877	2.2
207.10089	1.4
231.21179	6.6
275.20197	72.6
278.11481	8.9
293.21262	59.3
297.18365	1.3
311.06351	1.1
315.19461	33.4
316.20163	1.1
354.09628	1.1
359.18564	6.9
549.17120	1.5
605.77368	1.2
609.41473	100.0
610.41077	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	609.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77677	0.8
67.48146	0.6
85.11904	0.8
97.55461	0.7
104.83118	0.7
119.12946	0.8
127.11316	1.3
146.27202	0.8
155.10785	4.8
157.12378	0.9
171.10266	6.0
174.80502	0.8
295.22849	12.9
306.82639	0.8
313.23914	100.0
314.24472	1.0
609.47485	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19773	0.1
56.38650	0.1
59.01390	0.2
61.98837	100.0
63.45565	0.1
77.21617	0.1
85.02962	0.7
86.03310	0.2
92.10730	0.2
92.66453	0.1
96.02530	0.1
105.01533	0.1
107.14661	0.1
141.42703	0.2
178.06313	0.3
179.06705	0.2
434.50540	0.2
538.07593	0.1
549.29498	0.7
550.30200	1.5
605.08496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27460	0.7
55.01884	0.7
57.03469	0.8
59.01389	100.0
59.52810	0.6
61.98836	10.0
71.01389	4.7
73.02939	1.2
80.96516	1.0
81.03445	1.0
83.05045	1.5
85.02953	8.9
87.00871	0.8
89.02466	1.0
93.03459	0.8
95.01434	1.0
99.00857	1.1
99.04520	0.9
101.02428	0.9
109.02940	1.2
127.04018	3.7
145.05122	1.3
161.06087	8.8
191.05672	0.9
222.51064	0.7
300.02646	0.8
304.38123	0.9
484.27429	0.9
487.26813	4.3
513.28876	6.1
549.30768	24.0
598.56238	0.9
609.35809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50011	0.4
54.82813	0.5
55.01897	2.8
57.03457	9.1
59.01388	100.0
61.98839	3.9
67.21693	0.5
71.01385	4.4
73.02950	0.9
76.43474	0.5
81.28782	0.5
83.01411	2.1
83.05060	0.8
84.02183	4.0
85.02955	42.2
87.00880	0.6
89.02464	2.8
91.05107	0.6
92.10847	0.6
93.03499	0.6
95.05080	0.7
96.96000	0.9
97.02968	2.2
101.02455	2.7
111.04539	1.0
113.02438	1.2
113.90597	0.5
114.07858	0.5
114.39289	0.5
119.08659	4.5
126.03393	0.5
135.04517	0.8
137.09737	2.3
150.05281	0.5
164.04843	0.9
169.87894	0.5
172.05484	0.6
173.04637	0.9
191.05617	1.2
271.02460	0.6
300.02765	0.8
343.22815	0.9
387.21808	8.7
410.98804	0.6
505.31412	0.7
531.29700	1.1
549.30823	93.3
550.31213	2.7
567.36377	0.7
609.15570	0.7
609.34955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94050	0.4
55.01888	2.1
57.03460	8.5
58.88740	0.4
59.01105	0.9
59.01388	15.2
60.24176	0.5
61.36204	0.4
61.98842	6.7
62.06977	0.4
63.34042	0.4
67.01901	0.9
68.99854	0.6
70.74791	0.5
71.01380	4.1
72.57984	0.5
73.02962	0.8
75.00913	0.4
79.05555	0.5
81.03471	2.7
83.01402	2.7
83.05036	5.7
84.01748	0.6
84.02189	5.4
85.02957	39.8
87.04519	0.8
89.02465	1.9
91.73943	0.4
92.10808	0.9
95.05005	0.9
95.08680	2.4
97.02981	0.9
97.06603	0.6
101.02444	2.6
101.51338	0.4
109.02962	0.7
109.06597	2.0
111.04513	3.6
116.92895	0.6
119.08676	0.5
121.06585	0.5
123.04525	0.7
123.08160	0.8
125.09660	0.4
129.60152	0.4
135.08218	0.4
137.09743	1.0
147.08157	1.1
149.00592	0.5
149.09770	5.5
157.02713	0.4
167.10815	7.1
179.10786	1.0
191.05525	0.6
193.08678	0.7
197.93858	0.4
211.09755	0.7
289.18079	0.6
325.21976	1.8
343.22815	1.1
393.23004	1.8
447.26114	0.5
466.73773	0.4
487.30667	1.8
505.31876	1.1
531.29425	0.7
549.30817	100.0
550.31390	0.9
609.31146	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	609.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.3
55.86724	0.3
57.03454	0.6
57.95280	0.3
58.00611	0.3
59.01392	100.0
61.98835	3.6
65.03975	0.8
69.03464	0.4
71.01393	7.4
72.99322	0.7
73.02951	2.9
73.63764	0.3
75.00869	0.3
75.65112	0.3
81.03461	0.8
83.01408	0.5
83.05068	0.3
85.02966	5.5
86.00114	0.4
86.55402	0.3
87.00885	1.4
87.09857	0.3
88.98825	0.6
89.02449	6.9
93.03441	0.7
96.96009	0.5
97.02962	0.7
99.00893	3.4
99.04528	0.4
101.02444	4.2
108.02200	0.7
109.02979	4.2
113.02449	1.5
116.92813	0.4
119.03453	0.5
119.05043	0.3
125.02467	0.7
127.04047	0.6
131.03537	0.5
137.02444	6.7
142.20125	0.3
149.04559	2.2
150.06917	0.4
161.04578	0.4
179.10904	0.6
191.05641	1.6
243.02989	0.4
249.14920	0.7
251.07747	0.5
255.03181	0.4
269.39972	0.4
271.02466	1.6
293.08789	1.5
300.02841	1.9
327.23526	0.6
386.22952	0.5
392.50333	0.4
417.25153	0.5
480.38168	0.6
500.15997	0.3
549.30206	8.8
609.14764	0.7
609.34888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.8
57.03452	10.8
59.01382	44.5
61.98832	14.6
69.03449	2.5
71.01383	47.0
72.72708	1.5
72.99314	2.6
73.02939	19.1
75.00890	6.4
76.21643	1.6
79.61852	1.5
83.01394	8.1
84.02177	1.9
85.02953	69.1
85.05087	1.5
87.00899	2.0
88.98780	5.8
89.02448	15.0
95.01366	2.2
99.00881	12.1
101.02451	39.2
111.00945	1.7
113.02458	19.1
115.04025	2.9
123.17666	1.3
125.02430	3.2
159.02885	2.2
161.04579	7.2
191.05580	2.3
279.26053	1.5
300.02856	1.9
315.23245	1.5
377.33279	1.4
386.06802	1.5
477.28601	20.0
513.28680	13.0
531.29474	6.2
532.20575	1.7
549.30646	28.4
602.05719	1.5
609.32941	100.0
610.33386	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	609.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.1
55.58079	1.1
57.03468	17.1
59.01399	12.7
71.01458	1.1
75.00881	40.6
75.59680	1.3
80.55668	1.1
83.01410	3.1
84.02199	6.0
85.02965	89.8
92.93313	1.4
97.02954	4.9
98.24173	1.4
119.08691	18.0
124.65337	1.4
125.06092	12.4
137.09688	10.0
138.94942	1.4
149.09738	2.0
168.34918	1.3
178.06320	13.0
203.10872	1.8
341.21191	5.3
351.19678	1.7
369.20758	9.9
380.72717	1.5
385.20230	14.7
387.21835	50.8
547.29260	6.5
549.30835	100.0
550.31201	2.7
558.16174	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	609.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
56.30783	0.6
57.03457	1.5
59.01389	50.3
61.98835	10.3
65.37684	0.6
67.30669	0.8
69.03470	1.7
71.01382	6.8
72.99315	0.9
73.02965	3.9
75.00891	1.2
81.03442	8.7
83.01405	2.9
83.05035	7.2
85.02950	17.0
86.00100	1.3
88.01654	1.6
89.02438	1.2
92.10098	2.4
95.05047	1.3
97.02978	1.3
99.00879	6.2
99.04508	7.6
99.18285	0.8
99.46259	0.6
101.02462	3.1
103.04045	2.3
108.02174	1.2
109.02959	9.2
110.08544	0.7
127.04013	18.1
128.31940	0.7
145.05072	1.6
173.73488	0.8
191.05728	1.1
244.09996	0.8
296.21768	0.7
300.03177	0.7
309.22156	3.5
315.44482	0.7
327.23196	1.6
345.24536	3.0
361.23566	1.1
371.22339	6.9
389.23373	8.8
481.01614	0.9
534.72467	0.9
549.30774	100.0
550.31152	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	609.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22778	0.8
52.81200	0.9
55.01889	0.9
56.92986	0.8
57.03456	1.2
58.00597	1.8
59.01388	88.0
59.28444	0.9
68.38480	1.0
69.35466	1.0
70.60648	1.0
71.01392	53.3
72.99325	1.3
73.02951	19.4
75.00872	1.2
83.01379	1.7
85.02962	12.4
87.00896	1.2
89.02452	75.7
94.54777	0.9
95.01401	1.5
98.77386	0.9
99.00887	23.9
101.02457	30.5
113.02452	11.1
116.65585	1.1
117.64796	1.1
119.03510	11.4
125.02442	4.6
131.03505	8.1
149.04568	23.7
161.04585	1.6
179.05647	3.8
190.99069	1.0
191.05577	9.6
233.06749	1.6
246.12187	0.9
251.07784	2.1
293.08746	1.4
311.10065	1.5
477.28665	2.5
505.31949	1.3
589.79694	1.2
609.32928	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	609.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12348	0.7
55.01893	7.0
57.03459	2.3
58.00607	1.4
58.85524	0.8
59.01389	38.2
60.88487	0.8
61.98843	1.6
66.86620	0.9
69.03445	1.1
71.01392	43.9
72.87065	0.8
72.99314	1.2
73.02953	22.2
75.00884	1.2
76.88333	0.9
79.05225	1.0
81.03527	0.8
81.24593	0.8
82.27713	0.9
82.95332	0.9
83.01394	8.4
85.02966	25.7
86.00101	1.2
87.00887	4.5
89.02444	14.4
92.12560	0.9
92.65877	1.0
95.01392	1.8
97.02946	3.7
99.00887	8.3
101.02444	43.1
103.94699	1.0
113.02457	18.9
115.04018	1.7
116.67389	1.0
119.03483	3.8
125.02458	1.3
129.01924	1.4
143.03514	1.7
159.03001	1.8
161.04526	5.9
247.15079	1.0
315.23264	3.7
422.97571	1.1
477.28671	22.4
597.16144	1.1
609.32947	100.0
610.32813	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	609.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61165	0.6
55.01888	4.1
57.03441	2.7
59.01385	54.9
60.23178	0.7
61.98838	9.1
66.01492	0.8
69.03466	1.7
71.01389	51.2
72.99317	1.1
73.02947	15.8
75.00874	0.9
81.03437	0.9
83.01401	6.6
83.78357	0.8
85.02963	15.2
87.00901	4.5
87.04520	1.0
88.98782	2.9
89.02452	41.8
92.65212	0.8
95.01383	3.0
96.02941	0.7
97.02959	2.7
99.00883	14.6
101.02450	31.1
113.02459	16.0
115.04021	3.0
119.03477	5.3
125.02448	3.7
129.01839	0.9
131.03514	4.6
143.03506	1.4
149.04568	5.9
161.02440	1.0
161.04567	6.5
173.04471	1.2
173.11465	0.8
179.05627	0.9
191.05635	5.4
233.06628	3.1
255.03015	1.6
271.02490	3.8
293.08945	1.0
300.02777	6.7
301.03528	1.8
328.11972	0.8
338.93658	1.1
387.21909	1.4
415.55048	0.9
417.25232	12.2
467.91891	0.9
531.30988	1.2
549.29242	100.0
550.29510	1.7
590.88574	0.8
598.94586	0.9
609.13983	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	609.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03454	1.6
59.01385	22.3
61.98840	13.0
64.29362	0.6
67.01895	0.9
71.01381	0.9
72.99308	1.3
73.02935	1.3
75.00874	11.8
79.05522	1.1
81.03456	1.4
83.01386	1.3
83.05036	4.8
83.17999	0.7
84.02193	1.6
84.98946	0.7
85.02964	11.4
95.05043	1.1
96.12920	0.8
96.95985	0.7
97.02944	2.8
97.06580	0.8
111.04525	3.7
119.08665	47.4
121.02952	1.4
121.10229	0.8
125.06090	17.7
133.10229	1.0
134.25380	0.6
135.08136	3.6
137.09721	6.2
149.09756	1.2
156.04636	0.6
159.33438	0.8
159.75482	0.6
176.04633	1.1
178.06425	7.7
194.83777	0.7
271.02988	0.7
300.03043	0.8
341.19888	1.1
365.19781	5.0
387.21661	1.4
405.22885	0.9
423.24030	0.8
466.85153	0.9
469.29498	4.0
487.30759	1.4
503.30121	5.1
513.28040	2.5
531.29657	21.9
547.29358	7.2
549.30792	100.0
550.31335	1.5
609.33459	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	609.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76681	0.5
55.01875	0.9
56.75354	0.5
57.03453	1.0
59.01388	27.8
59.09007	0.5
60.45021	0.5
61.98842	3.2
65.03967	29.1
66.73038	0.5
67.01904	1.5
69.03454	0.5
71.01383	15.1
72.99303	0.9
73.02946	5.2
74.08418	0.5
74.99120	0.6
81.03469	6.4
83.01413	2.9
85.02949	10.2
87.00899	2.7
88.98826	2.7
89.02427	7.2
93.03447	6.3
95.01392	1.2
96.96010	2.7
99.00888	2.9
101.02445	10.8
108.02184	21.7
109.02961	64.1
113.02447	6.3
116.92864	0.9
125.02406	1.0
126.64788	0.6
127.04025	0.6
135.04543	1.3
136.83769	0.5
137.02449	100.0
137.58405	0.7
151.00348	1.3
155.10799	2.7
157.14610	0.7
161.04555	2.9
191.05589	2.7
241.05130	2.5
243.03026	0.8
255.03011	2.5
256.07449	0.9
256.38394	0.6
271.02542	4.0
271.09772	1.4
293.08633	1.0
300.02823	8.6
301.03751	1.3
335.44131	0.7
338.11682	0.8
339.08868	0.8
369.13586	1.4
411.24020	3.7
441.11957	0.8
505.27942	0.7
531.25922	2.5
549.27142	32.2
598.19342	0.8
609.14813	4.3
609.26306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.5
57.03466	3.6
59.01386	67.1
61.98837	6.1
63.00293	0.8
64.85282	0.8
68.46513	0.8
69.03479	1.1
69.88518	0.7
71.01383	37.3
72.99316	3.1
73.02945	10.9
75.00890	1.6
83.01373	7.5
85.02953	18.9
87.00851	5.8
88.98814	3.1
89.02444	20.5
93.03461	7.7
95.01389	1.8
96.95441	0.8
96.96017	4.2
97.02969	3.3
99.00869	6.8
99.04519	0.9
101.02445	34.0
109.02982	1.1
113.02459	15.8
116.92884	0.9
119.03495	4.1
121.02968	7.7
123.04541	3.5
125.02458	1.4
137.02524	1.0
139.11642	0.8
143.03508	1.3
149.06055	5.5
150.64250	0.8
151.03889	0.9
155.10785	0.9
159.02995	1.4
160.01718	1.1
161.02484	1.0
161.04550	4.9
173.04590	1.2
179.05640	1.7
191.05649	5.0
245.15538	0.9
255.02975	1.4
261.15057	1.1
263.16556	4.0
265.18073	1.1
271.02484	3.3
271.16949	0.8
274.60663	0.8
300.02728	6.0
301.03418	0.9
325.21652	1.2
339.08951	2.9
341.21301	1.0
354.11429	1.3
369.13409	3.9
369.20816	3.6
381.17761	0.8
385.20135	1.2
387.21823	55.6
531.28931	1.6
549.27106	100.0
609.14484	3.7
609.23993	0.9
609.29675	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	609.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74584	0.5
55.01892	2.8
57.03460	2.4
58.00603	3.0
59.01388	100.0
60.33798	0.5
61.98843	0.8
66.94025	0.5
71.01386	47.6
72.99335	3.0
73.02945	4.5
75.00874	0.8
83.01406	2.7
85.02960	12.0
87.00887	2.6
88.98791	0.9
89.02447	50.7
90.56406	0.6
92.10072	1.5
93.03477	0.7
95.01421	2.9
96.96017	5.7
99.00874	4.5
101.02448	28.3
113.02464	18.1
114.89356	0.5
119.03493	16.0
121.03043	0.6
123.04546	0.8
125.02425	1.1
131.03525	1.5
137.09729	1.1
149.04547	1.3
159.03012	0.8
161.04558	4.3
167.03432	1.1
177.01924	0.7
179.05693	5.8
189.12862	1.1
191.05594	3.4
224.72925	0.5
235.33310	0.6
258.94489	0.6
286.79910	0.6
369.19217	0.9
387.20401	2.9
549.25708	88.5
550.25580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76800	1.6
59.01394	68.2
61.98849	3.2
71.01387	35.7
72.99300	3.0
73.02964	10.2
75.00867	3.6
85.02972	12.0
87.00903	13.7
88.98830	9.3
89.02457	33.6
93.03477	2.9
96.96001	27.6
99.00880	3.8
101.02465	25.7
103.00401	3.6
103.04027	2.9
105.01939	49.4
109.02988	2.5
113.02464	12.5
119.03490	10.0
120.99664	4.1
135.04541	3.3
136.01660	24.3
137.02480	3.9
146.03743	2.5
149.04593	4.3
151.00417	4.4
151.04013	29.4
155.10753	8.6
160.01685	8.5
161.02477	3.3
161.04535	3.1
166.01469	2.2
166.02690	14.9
167.35611	2.3
179.05661	4.2
179.07161	9.2
181.05128	14.6
190.02713	4.0
191.05592	8.4
199.09773	8.8
206.05911	3.5
208.03912	2.7
223.06207	8.5
240.08067	3.0
251.07101	2.5
253.58427	2.1
255.03059	5.0
255.10316	3.9
268.07397	15.7
271.02493	17.9
279.06387	2.6
280.07471	10.5
283.09729	13.8
293.08524	3.6
294.08966	2.9
296.06955	10.4
300.02808	22.5
301.03397	3.5
308.07028	18.4
309.07687	13.4
311.09412	11.2
321.07816	2.9
322.08481	12.6
323.09268	33.7
324.06467	17.5
324.10141	7.9
338.11810	5.1
339.08780	96.4
354.11014	29.7
357.09970	3.4
369.13507	100.0
370.13467	2.6
387.14539	39.6
447.18872	2.6
549.27466	11.5
609.14728	12.1
609.23828	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	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76800	1.6
59.01394	68.2
61.98849	3.2
71.01387	35.7
72.99300	3.0
73.02964	10.2
75.00867	3.6
85.02972	12.0
87.00903	13.7
88.98830	9.3
89.02457	33.6
93.03477	2.9
96.96001	27.6
99.00880	3.8
101.02465	25.7
103.00401	3.6
103.04027	2.9
105.01939	49.4
109.02988	2.5
113.02464	12.5
119.03490	10.0
120.99664	4.1
135.04541	3.3
136.01660	24.3
137.02480	3.9
146.03743	2.5
149.04593	4.3
151.00417	4.4
151.04013	29.4
155.10753	8.6
160.01685	8.5
161.02477	3.3
161.04535	3.1
166.01469	2.2
166.02690	14.9
167.35611	2.3
179.05661	4.2
179.07161	9.2
181.05128	14.6
190.02713	4.0
191.05592	8.4
199.09773	8.8
206.05911	3.5
208.03912	2.7
223.06207	8.5
240.08067	3.0
251.07101	2.5
253.58427	2.1
255.03059	5.0
255.10316	3.9
268.07397	15.7
271.02493	17.9
279.06387	2.6
280.07471	10.5
283.09729	13.8
293.08524	3.6
294.08966	2.9
296.06955	10.4
300.02808	22.5
301.03397	3.5
308.07028	18.4
309.07687	13.4
311.09412	11.2
321.07816	2.9
322.08481	12.6
323.09268	33.7
324.06467	17.5
324.10141	7.9
338.11810	5.1
339.08780	96.4
354.11014	29.7
357.09970	3.4
369.13507	100.0
370.13467	2.6
387.14539	39.6
447.18872	2.6
549.27466	11.5
609.14728	12.1
609.23828	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	608.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00810	0.7
54.83008	0.8
57.25978	0.8
59.01404	5.1
61.98840	100.0
63.22429	0.8
63.51479	0.7
75.00900	1.8
96.96026	1.0
101.02454	0.9
106.22596	0.9
162.80562	0.9
272.83655	0.9
313.43854	0.9
317.40942	0.9
338.64465	1.0
507.83795	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	608.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
58.29621	0.3
59.01386	5.3
61.98837	100.0
71.01408	0.6
72.99313	0.4
81.03512	0.4
83.05020	0.6
84.02136	0.3
85.02948	1.9
87.00848	0.3
89.02441	0.8
95.05051	0.9
97.02944	3.4
101.02461	1.5
109.02932	1.4
111.04530	0.5
135.08162	0.6
139.04019	4.8
140.04396	0.7
179.65919	0.4
231.55107	0.4
349.86835	0.4
366.19910	0.5
504.30807	1.5
530.28638	0.5
547.29138	1.8
548.29590	10.1
608.32141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1471
Annotation	Rutine
Peak:m/z	Relative Intensity
51.71577	0.5
53.93285	0.6
59.33906	0.5
65.00337	0.6
104.48643	0.7
107.01398	4.2
108.02188	0.9
116.33162	0.6
121.02940	1.4
148.01669	2.5
149.02470	0.8
151.00377	14.5
163.00372	2.9
163.04045	0.6
178.99843	6.3
186.02008	0.6
199.03899	0.9
211.04005	1.2
216.04097	0.6
226.02620	2.0
227.03439	4.3
229.04987	1.3
243.02991	11.5
254.02132	2.2
255.03015	34.9
271.02518	71.3
272.03223	3.2
273.04053	1.2
291.01309	0.6
299.01996	0.9
300.02786	100.0
301.00049	1.0
301.03561	28.8
498.58585	0.7
609.14722	73.7
610.15387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99165	0.5
55.01889	5.8
57.03465	4.2
59.01388	100.0
61.98844	1.4
65.03975	0.5
67.01916	2.5
68.53329	0.6
68.99821	0.9
69.03499	1.3
71.01379	12.3
72.99316	0.9
73.02951	7.3
78.60588	0.5
81.03463	12.5
83.01389	23.5
83.05029	18.2
83.05471	0.9
84.02195	3.3
84.55507	0.6
85.02953	44.3
87.00906	1.2
88.01678	2.5
89.02454	5.5
93.03476	3.1
96.95998	2.1
97.02975	1.2
99.00884	5.9
99.04527	7.9
101.02445	5.8
103.04021	1.2
108.02198	3.1
109.02950	11.0
111.00888	14.0
111.04521	4.9
113.02481	3.0
115.73912	0.7
117.07121	1.4
119.03502	1.4
127.04021	25.2
130.78107	0.6
135.04515	0.8
135.08163	0.8
137.09750	1.3
140.01141	5.4
145.05060	10.0
147.08179	3.1
149.77621	0.7
151.07654	3.8
161.02463	0.8
161.06085	9.2
163.06226	0.7
165.09225	3.2
175.07703	4.4
177.07686	0.8
179.05566	1.2
191.05681	1.5
319.16943	0.7
333.18671	0.8
351.19672	3.0
405.32169	0.8
435.27628	7.7
475.30698	3.6
485.28912	4.5
499.27039	1.4
501.28607	0.9
503.30304	12.3
511.27234	3.2
513.91187	0.9
517.27966	1.2
529.28137	59.1
546.90179	0.9
547.29114	36.9
607.31293	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	607.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10049	0.9
55.01885	5.2
57.03456	7.3
59.01385	100.0
59.66124	0.9
61.98830	9.9
65.03989	1.1
67.01883	13.3
69.03459	1.8
71.01381	15.0
72.82150	1.1
73.02950	7.5
75.00871	13.3
79.08611	1.1
81.03456	11.0
83.01392	6.9
83.05024	30.2
84.02187	5.7
85.02950	31.8
87.00852	1.4
89.02431	8.7
93.03463	5.4
95.05004	1.4
95.94939	1.1
96.96022	1.5
97.02935	1.6
99.00894	6.5
99.04535	2.1
101.02458	9.3
109.02967	2.5
111.00900	1.1
111.04523	13.6
113.02459	1.7
120.05817	4.7
123.08154	2.3
125.02435	1.2
125.42841	1.2
127.04006	2.5
129.42830	1.1
135.08165	13.1
137.09753	1.2
145.05077	1.5
165.79353	1.1
169.41864	1.0
191.05655	2.4
205.12233	1.4
227.25807	1.1
238.99754	1.1
255.87041	1.3
273.60678	1.0
295.20380	1.7
365.19388	1.5
367.21295	1.7
387.21964	1.2
467.27914	2.1
485.29535	8.1
503.30399	30.5
511.26843	5.1
529.28229	11.3
547.28992	46.3
563.31445	1.8
564.39502	1.6
607.31561	35.2
621.68353	1.4
636.51379	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	607.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	3.5
57.03475	4.1
59.01385	79.8
61.98838	17.7
63.14806	3.7
63.71236	3.5
68.98052	3.4
71.01387	58.2
73.02965	20.9
83.01395	9.5
83.05047	6.8
85.02957	41.3
86.64262	4.6
89.02454	25.1
93.03470	8.8
94.80956	4.4
95.05038	6.9
97.02944	10.5
99.00890	5.1
101.02444	43.8
104.45766	3.7
111.04472	5.1
113.02464	9.7
114.39214	5.5
125.02421	6.5
139.03987	10.6
143.03517	4.4
161.04572	8.6
179.07132	5.5
265.06458	4.3
275.22397	4.4
392.99857	4.6
450.89914	4.5
475.27438	7.2
503.30035	10.1
529.27362	6.5
547.28864	47.7
580.29138	5.2
607.31281	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	607.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51600	0.4
53.58623	0.5
55.01888	3.1
57.03463	7.8
59.01388	100.0
63.29415	0.6
67.01920	1.0
69.03481	1.2
71.01379	1.4
73.02939	0.8
75.00877	8.0
81.03471	2.7
83.01411	2.7
83.05028	5.3
84.02156	5.2
85.02953	42.2
93.03461	3.6
95.01395	4.5
95.05048	2.7
96.96022	1.3
97.02941	13.1
97.24858	0.6
101.02466	0.8
108.02186	2.6
109.06612	0.9
111.04536	3.2
113.02435	0.7
118.78988	0.7
119.08630	0.9
121.02943	1.3
123.04520	12.9
133.06583	1.0
161.06073	2.6
171.08224	1.5
212.08543	0.8
225.12872	4.2
243.13921	3.3
245.15411	0.8
323.20328	0.9
349.18240	2.6
381.92163	0.7
384.55884	0.7
387.21823	31.3
389.23364	4.1
405.22867	25.7
431.24670	1.1
467.27945	2.9
477.22827	4.4
485.25595	8.5
493.26074	13.2
503.26279	11.9
511.27103	37.3
529.28180	43.5
547.29260	10.8
577.75769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03456	14.4
58.15886	1.6
59.01385	43.8
61.98822	2.1
66.17915	1.5
71.01385	10.8
72.99303	32.1
73.02946	55.7
75.00870	100.0
79.05527	2.2
80.70518	1.9
83.01385	7.5
83.05033	7.7
84.02162	8.7
85.02947	84.3
89.02442	2.6
93.03439	2.9
95.05031	4.5
97.02950	81.6
101.02431	3.1
108.02155	2.9
109.02961	2.0
111.04509	10.8
123.04511	11.6
125.02417	3.0
126.72618	1.7
139.03995	17.9
149.09743	4.1
175.07613	4.2
245.15393	7.8
246.02618	1.8
252.59921	1.9
313.23819	2.2
405.22891	13.2
407.24316	12.4
425.25107	2.9
475.28815	3.8
485.29044	2.6
489.48502	2.6
509.29376	2.5
511.26755	7.2
521.32245	13.8
529.28094	14.5
545.29846	2.2
547.29553	7.7
563.32672	28.4
565.30206	59.6
571.29236	8.3
589.30438	20.8
607.32086	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56870	0.3
58.68023	0.3
59.01387	0.8
60.99312	19.4
68.59480	0.3
70.86607	0.3
71.01390	0.5
73.07572	0.3
87.00876	1.5
88.98806	100.0
89.02444	2.2
92.10769	0.6
99.00932	0.4
101.02426	0.3
105.58540	0.3
139.65527	0.3
143.52625	0.3
149.49466	0.3
220.68970	0.4
285.14304	0.3
341.02820	0.5
361.66974	0.4
517.23169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58120	1.3
55.01898	1.7
57.03443	2.1
59.01387	81.8
60.57033	1.0
61.98846	7.2
71.01389	50.8
72.99333	2.3
73.02957	15.6
73.03288	1.2
80.27837	1.2
81.03490	2.5
83.01396	2.8
85.02963	14.6
87.00910	2.5
88.98810	1.5
89.02451	62.6
93.03487	2.5
96.96010	31.4
97.02960	3.3
99.00867	24.4
101.02464	31.1
109.33674	1.3
113.02445	13.8
119.03509	3.3
125.02465	6.5
131.03499	11.5
149.04568	17.8
161.02432	2.0
161.04575	3.1
161.06038	1.7
173.04549	2.0
191.05658	13.2
216.68884	1.7
219.53929	1.5
233.06712	3.3
235.16977	1.7
270.01575	1.7
285.98929	1.6
293.08832	2.1
311.09863	1.5
319.17072	1.6
340.97409	1.7
514.46173	1.5
547.27765	100.0
607.27228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10436	0.3
52.98481	0.3
59.01392	6.4
60.99312	19.9
60.99624	0.7
61.98825	0.6
71.01380	3.7
73.02972	0.3
75.00856	0.4
82.95421	0.7
83.01384	0.7
85.02956	2.0
87.00889	1.3
88.00372	0.3
88.98806	100.0
89.02443	5.7
93.03457	0.7
96.95993	1.9
99.00871	0.7
101.02448	2.2
103.00359	1.4
113.02508	0.7
119.04983	0.4
135.04590	0.4
137.02406	0.5
137.74097	0.3
145.02989	0.3
151.00293	0.4
160.03954	0.4
161.02452	0.5
161.04555	0.3
191.05606	2.1
219.48305	0.4
241.01494	2.9
242.02118	0.4
243.02861	0.5
245.00914	0.7
270.01694	2.3
271.02423	2.3
287.68619	0.3
298.01172	0.5
299.01962	2.1
300.02713	0.4
301.03293	0.4
336.12384	0.4
463.08875	0.5
547.27942	3.6
607.13116	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45377	1.0
57.03450	1.3
59.01384	100.0
61.98844	1.8
63.01977	0.9
71.01385	27.9
73.02930	7.9
83.01375	1.8
85.02967	9.4
87.00890	5.6
89.02447	27.0
89.02950	1.9
93.03454	1.2
95.01402	1.0
96.96018	10.1
99.00877	7.4
101.02446	18.6
109.02961	1.2
113.02454	6.5
119.03499	4.4
119.05048	1.2
125.02441	4.3
131.03499	2.1
135.04549	1.9
137.02365	1.3
149.04520	7.2
161.04587	4.4
173.04521	1.4
191.05612	5.9
199.85516	1.3
218.47147	1.1
242.02228	1.2
266.05826	1.5
273.72699	1.1
278.05862	1.3
306.05374	4.1
321.07834	9.0
325.07214	6.1
335.37094	1.2
336.10049	2.6
337.07333	5.3
340.09662	2.3
352.09387	2.0
355.12103	10.7
367.11972	19.0
367.19257	6.4
415.23563	2.0
529.24536	6.7
547.27502	37.0
607.25769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.6
64.95177	2.6
64.96812	2.2
66.11910	2.4
76.56993	2.6
88.98838	3.8
93.03459	64.4
96.95996	2.9
99.92641	4.5
116.92867	55.9
117.03496	3.5
121.02969	20.8
123.92535	2.7
132.05936	2.6
145.02954	16.6
245.36856	3.0
337.09781	3.0
439.09552	2.6
447.32983	10.3
449.34244	17.9
515.80249	2.9
543.38605	39.4
587.37567	59.4
605.29602	4.6
605.38605	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	606.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42290	0.2
54.33333	0.2
57.75690	0.2
59.01383	6.0
60.01732	0.4
61.01803	0.2
61.98834	100.0
71.01386	4.6
72.01709	0.3
72.77283	0.2
73.01836	0.2
73.02953	1.2
83.01414	0.2
85.02969	1.0
89.02439	6.3
90.02787	1.1
91.02858	0.5
93.03427	0.4
96.96005	0.4
99.00866	1.6
100.01210	0.3
101.02433	2.3
102.02738	0.3
103.02984	0.2
109.02917	0.3
109.43325	0.2
113.02470	0.3
117.45622	0.2
135.04518	0.4
137.02464	0.3
149.04565	2.0
150.04892	0.5
151.04991	0.4
152.05440	0.2
160.03989	0.4
161.02412	0.3
161.04572	0.2
173.04498	0.5
175.04028	0.3
191.05615	1.3
221.06636	0.3
278.05469	0.2
304.85913	0.2
306.05157	0.3
321.07767	0.4
367.12067	0.4
399.21786	0.2
521.00708	0.2
545.25372	0.3
546.26099	1.3
606.25201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82742	0.6
59.01385	8.2
60.99307	5.0
61.98828	0.9
62.79521	0.7
63.02397	0.9
64.23652	0.7
65.00345	3.1
70.59242	0.6
70.88077	0.6
71.01386	7.8
73.02949	1.4
83.01392	3.3
84.95137	0.7
85.02972	3.3
87.00884	1.2
88.98806	34.6
89.02444	6.3
93.03417	6.0
96.96009	3.1
99.00875	2.8
101.02452	4.2
107.01407	3.4
112.62141	0.8
113.02463	2.9
115.00371	1.6
117.03451	0.9
119.05093	0.8
125.02434	1.1
133.02982	1.1
135.04495	0.9
137.02473	4.4
143.05022	1.3
143.81671	0.7
145.02980	2.8
149.04625	1.1
151.00389	14.0
155.04997	0.9
158.03705	5.7
159.04530	1.3
160.01599	1.3
161.02458	5.4
163.04024	0.9
169.01468	0.8
170.03691	1.3
171.04521	3.5
172.01671	1.7
178.99841	3.0
183.04498	3.2
185.02419	3.5
186.03229	10.3
187.03981	1.4
189.01958	3.7
191.03726	0.9
191.05653	4.2
198.03183	3.3
199.04102	10.6
201.01964	1.7
211.04015	1.2
213.01968	1.1
214.02780	17.7
215.03513	3.7
216.00667	4.8
217.01566	1.2
218.02222	1.4
227.03558	6.3
229.01390	0.9
241.01466	100.0
242.02238	39.3
243.02995	15.3
245.00943	46.2
245.02892	0.7
255.03050	7.4
255.38208	0.8
267.03183	1.2
270.01746	90.3
271.02515	71.3
273.00427	3.0
282.01782	1.8
283.02478	3.4
287.09363	3.4
298.01218	23.6
299.02020	90.6
300.02637	5.5
301.03525	1.0
313.03473	1.7
341.03082	6.7
445.10867	1.1
459.94504	0.9
547.28363	5.6
579.13501	1.0
607.13190	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20894	2.6
61.98827	3.2
65.60499	2.0
71.89381	2.4
82.41622	2.1
89.87828	2.4
92.58923	2.1
117.03465	96.7
117.04269	4.0
118.04279	4.4
119.05043	38.9
121.02948	55.7
123.04511	23.5
127.65228	2.6
132.05795	34.9
133.02977	10.5
134.03726	12.5
145.02966	93.9
157.82281	2.3
161.06491	2.4
162.03265	31.5
163.04002	27.0
217.07248	46.5
218.07269	17.0
219.06885	27.0
285.13525	20.8
286.13641	10.9
287.13345	17.0
301.16635	54.8
302.16794	28.8
303.16470	39.0
359.15543	6.1
360.15607	4.4
361.15222	18.5
386.22842	3.2
429.21497	10.6
431.32224	3.1
445.24905	11.1
517.29785	13.3
531.31097	21.3
538.03705	2.7
587.37640	3.5
588.37927	3.7
599.69843	2.6
605.38599	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	605.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.6
61.98862	1.9
86.25237	2.2
90.02045	2.1
93.03476	3.8
94.82201	2.0
99.92581	3.5
116.92859	32.4
119.05042	14.4
153.78716	2.5
163.04034	3.1
165.05580	11.5
172.60858	2.2
180.77254	2.9
207.34879	2.2
217.90840	2.4
335.36377	2.6
409.86740	2.4
441.33893	2.3
605.38660	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	605.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88601	3.0
87.26122	4.4
92.66846	3.9
116.92892	6.7
117.03482	84.3
119.05025	45.3
120.15907	4.1
121.02976	56.2
123.04472	13.8
132.05803	35.7
133.02965	16.0
134.03766	6.5
145.02983	61.3
162.03244	22.2
163.04016	32.4
195.45103	3.6
359.15384	3.7
417.17664	4.1
426.67050	5.2
491.24503	4.0
531.31165	14.6
533.12250	4.2
605.38641	100.0
620.51752	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	605.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51654	0.7
58.88305	0.9
59.01384	3.8
61.80741	0.8
64.08261	0.9
78.31310	1.0
78.62525	0.9
83.19927	0.9
93.03462	5.3
96.96026	1.4
100.93484	1.1
105.03459	4.2
107.05042	14.3
107.09727	0.9
116.92854	6.3
117.03427	1.0
119.05013	16.8
121.02939	3.7
121.06582	2.0
123.04517	4.6
125.03075	0.9
133.02936	8.7
135.04552	1.5
140.99466	1.1
145.02975	1.3
147.04541	7.1
163.04008	4.0
165.05560	11.1
183.69829	1.0
208.22327	0.9
304.88037	1.2
428.02063	1.1
441.33826	4.5
453.33618	1.7
501.37320	1.5
543.38623	4.1
545.36450	1.4
561.39594	4.8
605.29474	7.5
605.38544	100.0
606.38855	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86215	0.7
59.01392	3.9
59.71009	0.7
73.54424	0.7
78.93001	0.8
84.95157	1.1
87.00876	23.4
93.03455	18.8
96.41154	0.8
96.96008	4.7
103.76557	0.8
116.92909	1.2
117.03557	1.0
119.05061	1.9
120.21112	0.9
121.02930	4.9
147.04539	6.1
151.05977	0.8
160.43810	0.9
171.23407	1.0
434.24182	0.9
447.33240	1.9
449.34180	3.7
543.38763	12.3
559.38135	11.9
587.37622	17.5
605.38629	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	605.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	4.5
57.03461	4.1
59.01390	47.7
61.98835	5.8
71.01385	43.5
71.01781	1.6
72.99311	1.0
73.02940	19.4
75.00871	1.0
75.38950	0.9
76.99416	0.8
81.03503	1.3
82.95429	4.6
83.01393	6.1
85.02958	26.7
85.87589	0.8
86.00086	0.9
86.41826	0.9
87.00880	1.8
87.13774	0.9
89.02451	11.3
92.10851	1.8
95.01395	3.6
96.95989	1.5
97.02963	3.5
99.00874	9.3
101.02449	36.5
113.02461	16.2
115.04030	1.5
125.02480	3.4
131.03487	1.3
132.04546	1.1
143.03455	1.1
159.03040	4.2
161.04611	9.7
161.05829	1.2
210.93294	0.9
233.06729	2.2
257.12900	1.8
413.25574	4.5
483.27750	2.2
497.25464	1.2
527.26587	4.4
545.29889	100.0
605.26398	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	605.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68452	0.8
52.44775	0.7
55.47264	0.8
59.01390	4.2
61.22784	0.7
64.63989	0.8
77.06924	0.8
81.47137	0.8
82.48870	0.8
93.03450	7.4
94.97580	1.0
101.59381	0.8
107.05029	8.6
108.02187	0.9
116.92863	6.3
119.05035	20.4
121.03017	0.9
121.06622	3.8
123.02567	0.9
124.41650	0.8
135.04585	1.6
145.03036	1.5
147.04518	2.0
152.99512	1.0
161.13620	0.9
163.04024	1.0
165.05594	11.6
393.91080	1.2
441.33420	1.2
501.37274	1.3
543.38507	1.9
561.39374	6.8
605.38568	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	605.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03453	10.4
59.01389	100.0
61.98845	2.9
66.36518	1.7
66.59968	1.5
71.01408	6.9
73.02975	2.9
81.03456	6.9
83.01402	3.5
83.05041	8.8
84.02187	4.1
85.02940	31.0
89.02458	7.5
93.03459	47.0
95.05073	1.8
101.02437	6.9
107.01382	3.3
109.02983	12.5
111.04509	9.1
125.02432	7.7
135.00882	15.4
136.01591	3.4
137.02470	15.3
234.46761	1.9
251.16548	2.5
293.08762	1.9
339.19711	3.1
389.23495	11.8
408.57138	1.8
455.27640	2.4
483.27911	19.0
501.28769	20.4
527.26611	35.6
545.27704	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57346	1.4
55.01897	1.9
57.03453	3.8
58.36292	1.7
59.01387	52.1
64.34727	1.6
69.03451	3.5
71.01385	27.9
72.99307	14.1
73.02939	16.2
75.00871	95.9
81.03475	2.5
83.01396	9.4
83.05063	1.5
85.02968	10.3
87.00873	2.2
87.04543	2.4
89.02454	18.8
95.01433	1.6
97.02942	12.3
99.00894	14.0
101.02439	16.9
109.42575	1.7
113.02437	6.6
125.02412	7.6
140.01172	12.7
159.06552	1.6
161.04532	2.4
163.07648	9.0
171.10249	3.5
191.05655	2.7
221.09781	3.4
221.11826	2.1
223.17072	23.0
235.17313	2.5
251.16406	2.3
253.09305	8.4
276.05273	1.7
291.19809	7.1
293.21271	6.6
309.20773	30.5
311.22397	17.4
361.92654	1.9
365.37991	1.8
435.11798	1.7
455.27115	1.8
473.27490	8.2
545.27533	11.5
605.31891	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	605.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20817	0.4
52.14725	0.4
55.01891	1.7
57.03454	1.0
59.01388	100.0
60.40554	0.4
61.98838	3.1
64.34753	0.4
68.05592	0.4
71.01389	10.6
71.05031	0.4
72.99355	0.4
73.02965	3.9
81.03458	3.4
83.01399	2.4
83.05054	2.7
85.02964	14.6
85.03459	0.6
87.00882	0.7
89.02455	2.8
93.03457	1.1
95.01408	0.9
96.96035	1.0
97.03000	0.7
99.00857	3.6
99.04526	2.4
99.69899	0.5
101.02460	7.6
103.03995	0.5
109.02953	4.3
113.02480	3.1
119.05020	0.8
121.31534	0.5
127.04014	8.1
137.02420	0.7
139.50343	0.5
145.05099	2.6
156.96593	0.4
161.04523	2.2
174.24699	0.5
177.05597	0.5
191.05724	0.6
208.34639	0.5
232.69255	0.5
251.16504	0.8
349.18112	0.8
413.25763	0.6
483.27869	0.6
527.26837	2.3
545.28802	21.4
605.25745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	9.5
57.03463	13.7
57.48632	2.3
59.01388	80.9
71.01399	13.4
73.02967	4.6
81.03477	5.8
83.01402	69.6
83.05046	6.2
84.02198	4.9
85.02955	71.2
89.02464	5.0
93.03432	2.5
95.05021	3.3
99.00908	4.0
101.02472	6.3
109.02973	16.8
111.04555	27.9
127.04073	3.9
127.35075	2.5
130.79041	2.5
132.15813	2.7
137.06097	13.8
149.06152	4.9
161.06053	6.1
163.43245	2.4
167.73697	2.5
174.03299	3.4
189.05576	14.2
201.09142	3.6
213.05641	4.2
279.63138	2.6
373.22348	4.1
383.19339	2.7
461.25363	5.3
483.27423	10.0
501.28824	43.0
509.25458	4.2
527.26587	56.9
545.27704	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	605.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	2.0
59.01387	100.0
59.22643	0.8
68.16148	0.8
71.01387	2.2
73.02963	5.4
83.01398	0.8
83.59724	0.8
85.02951	7.6
85.58338	0.8
119.08617	0.9
170.13632	0.9
197.11971	1.2
237.04042	0.9
295.20789	1.4
309.20752	5.5
339.19678	1.5
389.23401	1.2
501.28784	12.7
545.27350	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	605.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99261	0.5
59.01386	3.1
59.15663	0.5
60.99313	22.7
64.14155	0.5
66.42216	0.5
72.99299	5.0
87.00878	3.6
88.00408	4.1
88.04066	0.8
88.98806	100.0
89.02440	24.1
89.02995	0.6
90.91755	0.5
91.00407	0.8
95.93312	0.6
99.50401	0.5
109.73897	0.5
134.22089	0.6
217.00255	0.9
276.00870	0.5
279.43182	0.6
384.36417	0.7
401.93213	0.6
545.35565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56890	0.7
52.99953	0.6
56.35580	0.8
57.03473	1.7
59.01393	100.0
71.01376	5.8
72.51716	0.9
73.02955	0.8
77.14111	0.7
77.48923	0.7
80.57309	0.7
82.88421	0.8
83.05040	1.0
85.02953	7.3
88.34895	0.7
128.16533	0.7
164.76144	0.8
171.10257	1.1
174.11171	0.9
180.79617	0.8
185.11865	0.9
253.09433	1.0
295.20834	1.3
309.20715	4.1
339.19708	0.9
501.28479	10.7
545.27966	3.6
549.61755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31528	1.1
57.03463	1.6
58.00610	2.1
59.01386	100.0
61.98840	1.1
69.45448	1.2
71.01384	47.9
72.99331	2.2
73.02941	20.3
75.00892	5.2
82.95411	2.6
85.02972	5.3
89.02441	96.4
93.03422	1.5
96.96017	3.0
97.03010	1.8
99.00878	29.6
101.02439	33.6
103.00375	39.1
103.04005	1.7
113.02471	9.7
115.04010	1.5
119.03513	1.4
125.02471	6.1
131.03481	10.4
135.04523	2.2
137.02617	1.1
143.03517	1.5
149.04559	46.4
161.04605	5.2
163.83606	1.4
179.03406	1.4
191.05602	18.5
221.06796	2.1
233.06621	1.2
239.48380	1.3
248.77083	1.7
251.07722	7.2
267.11551	2.0
293.08981	1.8
311.09946	4.9
398.44272	1.3
441.99985	1.3
446.74924	1.3
478.75626	1.5
521.47980	1.4
545.26135	29.1
587.25586	1.9
605.26318	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	79.9
59.08358	1.4
61.98850	3.1
71.01389	50.7
72.99300	1.9
73.02956	23.8
75.00947	1.4
83.19000	1.5
84.95172	1.4
85.02976	11.1
89.02451	100.0
96.96021	11.8
97.02977	1.8
99.00881	28.9
101.02448	36.2
113.02435	10.4
119.03445	1.7
125.02448	2.7
131.03525	7.3
131.88210	1.5
135.04547	1.9
143.03563	1.6
149.04558	45.0
150.03186	1.9
151.42874	1.4
161.02451	2.6
161.04558	5.2
173.04483	1.8
179.03534	1.9
191.05620	21.1
221.06682	8.1
251.07710	2.1
293.08844	2.6
311.09851	7.5
460.71918	1.5
503.25009	2.7
545.26361	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	605.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38556	1.7
52.66385	1.7
52.87389	1.9
54.90022	1.7
55.01907	2.6
57.03444	2.9
59.01390	27.1
62.71927	1.9
65.92126	2.4
66.29809	2.2
71.01383	70.5
73.02951	4.0
78.95915	2.8
83.01405	4.7
85.02951	48.4
87.00878	16.2
89.02441	15.5
90.02956	2.3
95.01413	2.9
97.02977	2.4
101.02457	12.5
101.58947	2.3
111.00919	2.5
113.02448	51.8
129.01964	2.9
131.03459	3.9
151.06133	42.0
173.04494	16.2
185.66956	2.5
205.07269	2.7
398.04837	2.5
411.94205	2.5
573.17792	2.9
605.19470	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	605.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53340	1.9
55.56433	1.6
56.61474	2.0
58.02209	2.0
58.24059	1.8
66.18739	1.9
93.72929	2.1
107.23247	2.2
115.17560	2.3
370.62051	2.5
423.46405	2.5
429.17203	3.4
430.17920	14.8
445.20355	100.0
459.21890	17.9
460.23224	2.8
504.21802	49.9
518.23663	9.2
519.24048	36.9
605.27863	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31528	1.1
57.03463	1.6
58.00610	2.1
59.01386	100.0
61.98840	1.1
69.45448	1.2
71.01384	47.9
72.99331	2.2
73.02941	20.3
75.00892	5.2
82.95411	2.6
85.02972	5.3
89.02441	96.4
93.03422	1.5
96.96017	3.0
97.03010	1.8
99.00878	29.6
101.02439	33.6
103.00375	39.1
103.04005	1.7
113.02471	9.7
115.04010	1.5
119.03513	1.4
125.02471	6.1
131.03481	10.4
135.04523	2.2
137.02617	1.1
143.03517	1.5
149.04559	46.4
161.04605	5.2
163.83606	1.4
179.03406	1.4
191.05602	18.5
221.06796	2.1
233.06621	1.2
239.48380	1.3
248.77083	1.7
251.07722	7.2
267.11551	2.0
293.08981	1.8
311.09946	4.9
398.44272	1.3
441.99985	1.3
446.74924	1.3
478.75626	1.5
521.47980	1.4
545.26135	29.1
587.25586	1.9
605.26318	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
59.31743	0.5
71.01385	2.2
85.02972	1.1
93.03455	59.4
96.95437	0.5
96.96004	3.8
120.96703	0.5
121.02962	0.8
137.02448	100.0
189.05638	0.9
191.05663	3.3
227.67758	0.6
299.07788	10.7
392.43256	0.6
549.08533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91070	3.3
55.01906	3.9
57.03461	3.6
59.01395	17.8
65.14747	3.0
71.01403	20.9
72.23701	3.3
83.01411	8.2
85.02959	4.4
87.00887	4.8
89.02472	4.8
95.01406	4.1
96.96000	49.4
96.96947	4.0
97.33131	3.1
99.00893	33.7
101.02514	4.6
111.00849	7.2
112.98827	100.0
123.00910	13.6
129.01968	6.5
135.04556	4.3
138.03239	14.9
140.20071	3.6
142.99873	32.1
145.01477	4.0
153.05629	8.0
161.02563	5.1
163.04010	18.8
164.04803	17.1
173.00940	88.9
174.01706	21.3
174.03127	3.8
175.03954	5.0
176.04768	6.0
177.05600	15.1
178.06337	19.3
178.07785	4.1
179.07161	8.6
188.04642	4.2
189.05591	6.7
190.02806	5.5
191.03548	24.4
193.08733	18.6
201.02032	5.8
203.03516	7.2
205.05074	8.3
206.05894	8.2
219.03091	7.5
221.08264	5.0
233.08376	4.0
234.05392	3.8
247.02438	29.9
249.07718	5.0
262.04837	32.2
265.07233	14.4
277.07156	63.3
279.87546	3.4
337.09427	52.6
383.09857	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	603.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	19.6
64.34121	0.5
69.61280	0.5
86.11510	0.5
87.00883	4.7
88.00408	2.2
88.98806	100.0
89.02445	34.9
89.03011	1.0
92.10775	1.7
110.39639	0.5
148.90945	0.7
277.21741	0.6
495.53717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48751	3.4
52.04990	3.3
53.21501	2.9
55.01903	3.3
59.01392	52.8
71.01394	39.2
72.87074	3.7
73.02956	6.4
85.02991	20.6
89.02475	4.2
96.96008	47.7
97.02956	14.1
101.02468	20.0
107.34364	4.1
113.02464	6.5
121.02976	4.2
151.04025	4.4
297.50607	4.7
382.08337	4.4
409.22403	100.0
427.23447	15.6
499.25888	17.3
507.86310	4.5
525.27240	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17827	0.5
52.80535	0.7
53.05963	0.6
55.13276	0.6
57.03448	0.7
59.01386	13.4
60.99316	1.1
61.98836	0.7
62.93400	0.6
64.04221	0.6
67.01909	2.8
69.03492	0.6
71.01382	10.7
72.99316	1.0
73.02954	3.9
76.57224	0.7
81.03454	0.9
82.95412	5.3
83.01419	0.7
83.05022	1.0
85.02959	7.7
87.00903	1.6
88.98798	6.9
89.02454	8.9
93.03454	24.5
96.96017	5.9
97.02966	0.8
99.00890	2.4
101.02467	4.0
103.00377	3.0
105.01946	1.0
107.05066	0.8
109.02962	1.5
111.04524	5.7
113.02443	2.6
119.04971	0.7
120.07474	0.6
125.02393	0.6
127.04021	1.1
131.03502	0.9
133.02957	5.4
134.03764	1.3
135.04533	66.0
136.04832	0.8
137.02431	6.9
145.34535	0.6
149.04573	1.6
155.03558	6.8
160.01627	1.0
161.02490	11.1
161.04596	0.9
173.04562	100.0
174.04950	0.7
179.03516	68.6
180.04205	0.6
180.87334	0.9
191.05629	46.3
203.03552	3.0
209.04262	0.8
209.20602	0.7
234.29044	0.8
317.06747	0.8
326.86349	0.8
353.08853	65.6
354.09241	0.9
515.11963	26.5
545.25879	7.2
605.22943	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	603.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
58.00601	1.5
58.86341	0.3
59.01386	66.1
61.98832	0.4
67.75723	0.3
71.01382	41.8
72.99303	2.4
73.02946	19.6
78.75810	0.3
79.26627	0.3
83.01402	0.7
85.02950	5.4
87.00875	0.5
88.98849	0.5
89.02445	100.0
96.96016	7.2
96.96983	0.3
97.02937	1.5
99.00881	32.6
101.02445	28.1
112.01146	0.4
113.02440	5.6
115.03940	0.5
119.03484	2.0
123.21996	0.3
125.02429	4.5
131.03505	12.3
143.03441	1.4
149.04572	44.8
153.05550	0.3
160.03851	0.3
161.04575	2.7
191.03963	0.6
191.05624	13.7
215.77969	0.4
221.06721	5.4
231.13913	0.5
241.06122	0.4
251.07748	7.3
281.08743	0.4
293.08630	1.9
311.09982	3.0
543.16803	0.5
543.24475	14.0
543.37341	0.4
603.23474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71810	0.5
54.14674	0.6
60.99314	19.5
87.37333	0.7
88.00387	0.8
88.98807	100.0
89.02447	7.4
92.10149	1.0
107.06027	0.8
114.77071	0.7
122.51421	0.6
130.98924	0.6
145.02946	1.5
155.87421	0.7
167.27925	0.6
262.71985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07533	1.9
53.07985	2.1
59.01387	41.7
61.98830	24.6
63.29873	2.5
63.92904	2.2
71.01373	23.4
73.02979	10.4
82.95440	5.5
83.01388	2.6
85.02971	13.5
85.42583	2.4
89.02434	23.4
93.03442	10.1
96.96036	16.0
97.02956	3.0
99.00915	11.4
101.02419	19.6
104.75371	2.4
109.03015	3.1
113.02493	6.5
119.05021	3.5
130.23209	2.7
131.03534	3.0
135.04536	19.9
142.28999	3.7
145.02937	4.6
145.08760	3.2
149.04642	5.0
155.03676	3.0
161.02481	6.2
164.85402	2.5
175.28690	3.0
177.01965	2.8
187.09779	3.1
191.05663	26.0
191.14429	3.4
200.24960	3.0
209.36913	3.4
228.56754	3.2
265.99377	2.8
293.08591	2.7
324.03857	2.7
365.95453	2.9
460.57742	3.2
543.25214	6.2
567.28284	13.8
603.25909	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	601.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	3.7
57.03448	4.2
57.13042	3.2
59.01385	42.6
61.98835	4.7
63.61267	2.8
71.01379	39.0
71.63095	2.9
73.02959	12.7
75.08469	2.8
76.22549	2.9
79.95750	3.7
83.01417	15.8
85.02962	44.1
87.00905	5.1
89.02457	16.2
96.96001	42.9
101.02443	29.6
111.04514	3.4
113.02476	7.4
114.80276	3.6
135.78712	3.4
155.99326	3.4
161.04604	5.1
191.05560	5.5
233.15495	6.8
349.00034	3.4
433.28027	12.3
490.23358	13.9
541.27570	4.4
565.32208	100.0
571.25983	24.0
571.75946	13.8
601.30109	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24160	0.2
54.82899	0.3
57.89111	0.2
59.01385	2.4
61.98817	0.8
71.01385	17.2
71.01781	0.6
79.95731	0.3
82.95436	1.8
85.02980	0.5
87.34294	0.3
89.02450	0.5
93.03466	0.4
96.96041	0.4
101.02415	0.5
115.00380	8.1
119.05011	2.1
121.02957	100.0
122.03262	0.5
133.02960	0.4
135.04529	3.6
149.06099	0.6
161.02469	1.3
163.04048	0.3
176.04825	0.3
177.05600	0.5
179.03571	2.5
191.05600	1.7
221.04590	1.4
237.04085	10.5
281.06622	0.6
365.18170	1.6
543.17682	1.4
543.27960	0.4
615.02277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
59.01379	2.0
61.98839	1.8
62.25077	0.2
71.01392	1.5
73.02950	0.3
78.95911	2.8
79.95748	1.8
82.95464	0.2
85.02966	0.3
87.00915	0.4
88.98793	0.4
89.02464	0.5
92.10789	0.4
93.03460	0.2
96.02151	0.2
96.96023	100.0
96.96909	4.5
99.00867	0.3
101.02464	0.9
108.02225	0.2
109.02940	0.3
113.02449	0.3
121.02935	0.4
150.03293	0.4
153.01863	0.3
161.02347	0.3
165.05531	0.4
179.03497	0.4
191.05647	0.8
195.06621	0.3
601.21387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.0
57.03460	2.4
59.01384	67.8
64.30468	2.2
68.30213	1.9
71.01383	48.5
73.02943	23.3
83.01428	4.2
85.02954	25.5
89.02464	13.9
92.10084	4.5
93.03481	2.9
95.01394	2.5
96.96013	21.1
97.02985	2.7
99.00883	8.3
101.02449	29.9
109.02997	3.6
113.02428	17.5
115.04050	4.1
125.02441	4.1
131.03529	2.9
133.14107	1.8
135.04529	19.0
141.01735	13.8
143.03542	4.6
145.57370	2.3
150.03195	14.7
159.03018	3.1
161.04544	15.3
165.01907	10.7
165.05592	16.1
180.04245	4.3
191.05598	3.7
195.06607	16.3
233.06804	4.6
238.23160	2.0
238.42752	2.3
293.08823	4.4
409.17145	5.3
439.16394	3.1
490.07306	2.7
541.21497	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	601.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76117	1.2
55.01895	2.8
57.03461	3.5
58.00598	1.6
59.01384	98.0
61.98833	85.6
71.01382	62.6
72.99306	3.4
73.02946	21.7
76.57983	1.6
79.74500	1.4
83.01375	3.0
85.02943	16.4
87.00871	13.8
89.02438	82.8
93.03479	2.5
95.01384	1.8
96.95998	22.8
97.02958	2.2
99.00878	21.9
101.02442	44.3
103.00375	9.3
113.02441	19.1
119.03504	19.4
121.02964	19.3
125.02450	7.2
130.99863	3.4
131.03506	10.5
135.04561	6.0
143.03517	2.3
149.04556	13.6
161.04547	8.9
165.01953	2.7
179.03511	2.9
179.05617	8.1
191.05612	20.6
221.06694	2.5
233.06667	1.8
253.03511	10.8
288.71439	1.7
379.16083	13.5
409.17233	6.9
447.68759	1.8
541.13141	3.3
541.21252	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	601.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99599	0.1
59.01377	0.6
61.98839	0.3
71.01384	0.6
73.02956	0.2
78.95905	4.1
79.95745	1.8
84.70582	0.1
88.98801	0.9
89.02441	0.3
92.10762	0.5
94.98105	0.2
96.96008	100.0
96.96900	5.8
101.02427	0.2
137.02486	0.1
144.32063	0.1
147.78601	0.1
150.03191	0.2
163.04008	0.2
195.06490	0.2
286.27115	0.1
395.95691	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	601.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35117	0.3
59.37817	0.3
60.29632	0.3
69.30162	0.3
73.97487	0.3
78.95911	69.8
87.00903	0.4
87.36586	0.4
96.96037	21.6
96.96964	100.0
101.02477	0.4
106.69681	0.3
110.49379	0.3
112.60532	0.3
135.04483	0.5
138.97058	0.6
138.98036	3.3
168.99100	0.5
179.03577	0.6
199.00191	1.3
241.01215	1.6
259.02271	27.5
368.71335	0.4
436.44989	0.4
503.16333	1.4
527.18738	0.4
601.14160	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	601.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68329	0.2
59.01395	1.2
61.98836	0.3
71.01382	17.6
73.02966	0.2
82.29704	0.2
85.02959	0.6
87.00879	0.3
89.02448	0.8
92.10030	0.4
93.03458	0.4
96.95985	0.3
99.00901	0.2
101.02415	0.2
113.02506	0.3
115.00385	8.8
121.02965	100.0
135.04538	0.7
191.05655	1.8
237.04065	9.9
267.07364	0.2
363.12933	0.7
541.27094	0.2
601.17889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52738	0.9
57.03492	1.0
59.01390	18.3
61.98835	16.8
64.79420	0.7
67.01897	1.1
71.01391	7.5
73.02950	5.6
80.91693	3.4
82.95424	2.0
83.01421	1.0
85.02969	16.3
87.00893	4.4
88.98820	1.0
89.02454	6.2
89.13657	0.9
92.65280	0.9
93.03480	8.8
96.96004	8.4
99.00912	0.9
101.02448	5.0
103.04024	4.9
109.02985	1.1
111.04548	1.6
113.02416	1.8
116.92885	1.4
117.03433	0.9
121.02982	1.4
127.04021	3.4
133.02957	13.0
135.04526	12.9
143.91927	1.0
150.03232	4.1
153.05621	1.0
160.01711	3.3
161.02466	56.9
163.04063	1.3
165.05544	6.2
173.04550	5.4
173.05931	1.1
177.01978	0.9
178.02766	1.8
179.03561	11.0
179.05055	1.2
191.05644	100.0
195.06590	5.4
196.03714	1.3
211.06081	4.3
241.07245	1.3
358.93109	0.9
363.99054	0.9
379.13971	1.3
409.11453	27.0
412.85675	0.9
514.39703	0.8
541.26868	3.7
601.17889	14.4
601.27264	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	601.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95960	0.6
59.01385	100.0
78.42319	0.6
92.10150	0.8
115.02500	5.1
117.00439	9.7
132.98236	1.4
133.23531	0.7
137.19514	0.6
141.00481	1.0
148.48790	0.8
157.03568	2.8
159.01512	77.4
169.71158	0.7
174.99286	19.1
201.02600	27.1
217.00349	42.3
232.98256	0.7
259.01620	1.5
274.99271	4.6
290.97473	0.9
301.02719	37.9
317.00482	29.0
332.98416	1.4
359.01654	12.4
374.99408	2.8
401.03259	0.7
459.01648	8.8
541.00623	22.1
594.26807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19567	0.2
56.60541	0.2
59.01368	0.2
74.37839	0.2
74.94449	0.2
76.08228	0.2
78.95901	5.1
79.95733	1.9
93.49752	0.2
96.96009	100.0
96.96909	8.6
134.23601	0.2
259.02441	0.2
287.38660	0.2
357.25049	0.2
490.12848	0.2
525.91016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13197	0.5
54.82960	0.5
57.42614	0.4
66.95933	0.7
71.30757	0.5
73.75462	0.4
80.91701	0.9
82.95420	100.0
92.10795	0.8
101.71067	0.5
194.55466	0.5
343.47238	0.6
470.83063	0.6
489.84344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13197	0.5
54.82960	0.5
57.42614	0.4
66.95933	0.7
71.30757	0.5
73.75462	0.4
80.91701	0.9
82.95420	100.0
92.10795	0.8
101.71067	0.5
194.55466	0.5
343.47238	0.6
470.83063	0.6
489.84344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39426	0.2
57.03473	0.2
58.25578	0.2
59.01387	4.8
60.01718	0.3
61.98837	100.0
71.01385	3.2
72.01720	0.2
73.02942	0.9
76.15333	0.2
76.42957	0.2
85.02914	0.2
89.02450	5.6
90.02779	0.9
91.02874	0.4
96.96023	0.4
99.00897	1.8
101.01335	0.3
101.02448	1.3
102.02802	0.2
113.02464	0.5
119.03459	0.2
119.05022	0.3
131.03500	0.4
149.04530	1.1
150.04970	0.2
168.55617	0.2
185.86317	0.2
191.05678	0.3
344.32492	0.2
422.28973	0.2
538.25769	0.4
539.26801	1.8
540.26868	5.7
554.90161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.2
58.00623	0.1
59.01107	0.2
59.01392	4.6
60.01733	0.4
61.01811	0.2
61.98839	100.0
64.28256	0.2
71.01387	3.1
72.01720	0.4
73.01802	0.2
73.02937	1.2
83.01384	0.2
85.02943	0.3
87.00879	0.2
89.02448	4.8
90.02797	0.9
91.02859	0.6
92.01625	0.2
99.00896	1.8
100.01207	0.4
101.02432	1.8
113.02430	0.3
119.03514	0.2
125.02451	0.2
128.70987	0.2
131.03513	0.2
146.98262	0.2
149.04567	0.8
149.09705	0.4
150.10048	0.3
151.05051	0.2
167.10768	0.7
168.11087	0.2
181.76321	0.1
191.05605	0.6
202.66356	0.2
241.61455	0.2
249.53534	0.2
308.38205	0.2
326.56342	0.2
538.25916	0.3
539.26471	2.6
540.26727	4.5
600.25317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.6
61.98836	0.6
62.23586	0.4
64.90579	0.5
71.01407	2.3
72.99303	1.0
79.95741	35.1
80.07999	0.5
80.96519	11.7
83.05048	0.6
85.02956	4.4
87.00893	3.3
87.04523	0.7
96.96010	62.8
99.04499	0.6
99.45763	0.5
101.02422	1.2
126.03874	0.6
127.04006	0.7
137.96303	8.1
138.97087	6.7
150.97073	1.2
166.96497	1.1
167.00218	1.3
225.00768	38.0
313.48941	0.7
318.70999	0.6
599.25446	100.0
600.26062	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	599.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
65.57327	0.1
71.01369	0.3
78.95904	5.1
79.95730	1.7
85.02943	0.2
86.43468	0.1
88.98866	0.1
89.02440	0.2
91.50736	0.2
95.80441	0.1
96.00942	0.2
96.96009	100.0
96.96904	7.0
101.02438	0.2
108.94537	0.1
113.27491	0.1
119.05016	0.2
131.26984	0.1
135.04544	0.7
135.82431	0.2
161.02408	0.2
179.03458	0.8
191.05576	0.3
212.43436	0.1
270.31131	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26964	0.2
54.82796	0.3
55.01868	0.4
58.00607	0.4
59.01108	0.6
59.01388	12.7
61.98835	1.4
71.01376	8.9
71.01727	0.5
73.02945	3.0
75.33435	0.3
78.95910	3.8
79.95750	1.9
80.40041	0.3
83.01395	0.4
85.02943	2.8
87.00864	0.6
88.98794	0.7
89.02436	12.0
93.03447	0.4
93.26940	0.4
94.98087	5.7
96.96009	100.0
96.96893	4.4
99.00870	3.4
101.02431	4.8
104.06522	0.4
113.02451	3.4
119.03471	2.5
125.02438	0.8
131.03520	1.3
135.04510	2.6
137.02449	0.6
143.03532	0.5
143.10770	3.1
149.04546	2.4
154.54794	0.5
161.02441	2.2
161.04550	1.5
179.03461	1.7
179.05617	2.5
191.04068	0.6
191.05608	4.9
250.98195	0.3
293.08640	0.4
407.13345	0.6
539.34088	0.8
539.75909	0.8
562.88330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19669	2.7
65.14032	2.3
77.97664	2.8
78.35344	2.6
82.95415	100.0
83.32477	2.7
84.00911	65.2
84.95128	14.7
114.39228	2.9
117.40978	3.2
118.36037	3.0
128.24791	2.6
166.39447	2.9
277.21716	39.7
599.29895	3.3
616.23163	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	599.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.2
61.98833	3.3
71.01382	6.4
72.99287	2.7
73.02943	1.2
78.91888	0.6
79.95741	14.3
80.91688	2.7
80.96519	0.8
83.01362	0.7
85.02966	2.2
87.00883	0.8
88.98808	2.2
89.02461	5.1
93.03461	1.0
94.98070	2.9
96.96022	31.6
99.00874	0.6
101.02455	4.0
113.02464	2.2
116.92845	0.6
117.03425	0.8
119.05033	100.0
121.03040	0.7
123.21819	0.7
132.02184	0.8
133.02921	1.3
134.03751	15.2
135.03632	0.9
135.04549	17.4
137.02393	0.9
149.06061	2.3
160.00636	0.6
160.01694	9.7
161.02364	2.4
161.04515	0.6
163.04022	38.4
175.04024	10.3
176.04741	1.0
177.05650	0.7
179.03481	0.8
181.05093	11.9
191.05635	1.8
191.07108	2.9
193.05066	6.6
193.88432	0.6
194.98514	0.5
199.00735	19.7
214.98337	0.6
215.00272	14.8
235.06085	2.4
261.00674	3.8
343.10358	10.6
423.05881	1.1
433.46017	0.6
450.11002	0.6
460.50162	0.5
519.14838	1.4
522.27502	0.6
539.26477	1.1
539.34332	0.7
560.13934	0.6
581.95093	0.6
599.10748	55.1
599.23663	3.4
600.10590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3879
Annotation	Buxmicrophylline H
Peak:m/z	Relative Intensity
56.08699	0.3
58.02989	0.6
59.01386	4.7
61.23462	0.3
61.98830	3.5
71.01375	4.3
72.99302	0.4
73.02938	1.4
75.00882	0.4
81.03458	18.0
83.01394	0.5
83.05030	60.9
83.67689	0.3
85.02962	2.2
88.98772	0.4
89.02441	2.8
92.10147	0.8
92.25642	0.3
98.42841	0.3
99.00903	0.4
100.07682	10.1
101.02467	2.8
106.94592	0.4
108.04549	0.4
108.14835	0.4
109.58524	0.4
113.02454	0.7
116.92860	0.5
121.02970	0.5
123.08204	0.4
125.28135	0.3
126.05591	1.4
127.04066	0.4
135.04465	0.4
139.22171	0.3
157.13501	0.3
161.02435	0.4
161.04628	0.8
170.15434	0.4
175.04131	0.4
185.21893	0.4
191.05653	1.6
199.18182	14.6
207.15007	0.8
208.25642	0.4
224.17654	1.4
225.16136	11.4
226.14398	0.4
243.17168	29.1
269.15134	2.0
291.20932	0.4
309.21747	1.0
353.16913	0.6
353.20969	9.2
425.34897	0.4
451.32559	2.4
469.34021	18.9
469.40674	0.7
495.31921	0.4
537.53082	0.4
579.37506	3.8
597.31555	4.3
597.38873	100.0
598.39099	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	598.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00113	0.9
57.06017	0.9
59.01397	2.4
61.78681	1.0
61.98816	1.7
78.13465	1.1
82.66012	1.1
82.95422	94.9
84.00916	100.0
84.95134	14.3
190.73564	1.2
244.83101	1.2
253.09254	2.8
277.21732	44.7
326.37918	1.1
326.86624	1.4
330.49228	1.3
349.58102	1.2
604.33545	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	597.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17055	0.2
56.37753	0.3
56.55507	0.3
59.01405	2.7
60.99322	17.6
61.98845	0.3
71.01395	2.6
72.99313	0.4
73.02961	0.5
81.23071	0.3
82.81786	0.3
85.02942	0.4
87.00883	1.1
88.98813	100.0
89.02453	3.3
101.02450	1.4
104.10397	0.4
109.02943	0.4
113.02444	0.6
135.00920	0.6
135.04428	0.3
153.01923	1.4
187.58394	0.3
189.21692	0.3
191.05595	0.6
202.94434	0.4
210.56625	0.4
254.83963	0.4
390.24988	0.3
451.54135	0.3
537.33331	0.4
554.41364	0.4
597.31525	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	597.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
57.12400	2.6
59.01385	57.9
68.53567	2.8
71.01387	38.9
71.29742	2.6
73.02961	14.6
77.47099	2.9
85.02953	6.9
88.91823	3.5
89.02443	86.5
96.95999	14.6
99.00871	20.2
101.02454	31.1
113.02445	8.0
116.92834	5.1
125.02493	5.1
134.37021	2.9
149.04550	16.8
158.93907	4.3
187.01695	3.2
191.05634	17.3
513.53253	3.7
537.25702	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	597.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18509	0.9
52.28887	0.9
55.01876	1.0
56.77305	0.7
58.00594	1.6
59.01386	100.0
61.21808	1.0
61.58830	0.9
61.98796	1.2
66.28179	0.9
71.01383	32.4
71.37571	1.0
72.99314	2.6
73.02965	1.2
75.00854	1.5
85.02966	7.8
87.00888	2.1
89.02441	38.4
92.10146	1.5
93.03480	1.3
95.01381	1.5
99.00899	2.2
101.02435	14.1
113.02460	13.6
116.92933	1.3
119.03497	10.7
122.03786	2.2
123.00890	1.6
124.01647	2.2
135.04559	1.8
136.01653	1.4
138.03316	1.3
139.04008	2.4
146.03741	6.4
147.04620	1.2
149.02484	9.4
149.04539	1.3
150.03232	35.2
151.00389	11.3
151.04068	1.3
159.04616	1.3
161.02412	1.1
162.43004	1.1
164.04791	6.4
165.05579	48.5
166.02730	35.6
167.03633	1.9
175.04039	4.7
179.05655	4.0
179.07152	8.0
180.04294	2.6
181.05084	31.9
187.03996	5.4
190.06407	2.5
191.03400	1.8
191.05598	5.0
195.06648	37.3
205.08772	4.0
209.04639	1.4
233.08199	1.4
233.66995	1.2
237.05629	1.1
265.04892	1.3
293.04544	5.5
307.06223	1.3
308.06946	5.9
309.07687	1.8
311.05917	1.5
312.06461	1.4
312.09845	1.6
322.08560	1.4
323.09155	11.8
327.12399	6.6
338.11752	7.5
339.08670	4.5
339.12564	1.4
342.11224	1.9
353.10648	1.5
354.11151	1.9
357.13477	5.0
368.93185	1.2
369.09714	7.2
369.13849	7.9
375.14661	8.5
384.12241	2.5
387.14594	11.3
399.14569	48.5
414.30267	1.3
417.15628	7.9
537.25977	7.8
567.20941	1.2
597.22070	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	597.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	1.1
55.71857	1.0
57.03449	1.2
58.00602	1.6
59.01387	100.0
65.98047	1.1
71.01382	47.4
72.99305	2.3
73.02608	1.4
73.02933	8.6
75.00900	1.3
82.77636	0.9
83.01385	2.6
85.02959	12.9
87.00886	4.5
89.02445	52.0
91.52523	1.1
92.10050	2.4
93.03446	1.3
95.01385	2.2
99.00898	5.4
101.02459	25.5
108.02202	2.7
109.02942	1.4
113.02464	14.5
114.39634	1.2
119.03497	11.3
121.02968	2.5
123.04530	5.4
124.01675	4.3
131.03503	2.1
133.02930	1.5
135.04558	5.6
139.04013	6.9
146.03763	6.0
149.04584	7.0
149.06061	1.0
151.00395	7.2
151.03986	2.7
161.02435	6.1
161.04591	1.8
161.05992	1.8
162.03258	10.8
164.04782	5.8
166.02705	10.7
166.55693	1.2
173.04579	1.4
174.03255	1.9
175.04016	2.1
176.04817	24.9
177.05537	6.1
177.43417	1.1
178.02649	2.2
179.03331	1.2
179.05659	4.6
179.07169	4.4
181.05077	11.3
187.04001	7.6
187.21320	1.2
189.05640	2.0
191.05605	9.9
191.07167	37.0
194.71231	1.3
202.02740	1.5
202.06468	1.6
203.03595	4.6
209.08151	2.6
217.05148	2.0
227.28493	1.2
232.07230	1.3
233.08264	1.2
265.05402	2.0
268.07590	1.3
277.05212	1.2
293.04694	5.8
307.06076	1.9
308.07013	1.7
310.70593	1.3
323.09329	5.5
325.06927	1.1
339.05212	1.7
339.08817	1.6
339.12381	9.3
340.09561	2.0
341.10318	1.4
345.13629	10.2
353.10300	4.4
369.09772	12.0
369.13647	1.7
375.14493	15.8
383.11435	1.9
384.12140	10.3
387.14709	1.7
399.14560	97.1
400.14944	1.3
413.24527	1.6
537.25513	19.6
597.17371	1.6
597.32019	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	597.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03453	4.1
58.00592	0.8
59.01389	55.2
60.33114	0.4
61.98826	0.6
63.61130	0.4
66.87697	0.4
69.03446	0.8
71.01384	42.2
72.99313	0.9
73.02949	15.7
81.03459	0.7
83.01404	1.9
85.02961	5.3
87.00879	4.7
89.02447	78.4
93.03494	0.5
96.96029	0.7
97.02945	2.2
99.00879	30.6
101.02445	23.5
111.00915	2.5
113.02465	6.9
115.04079	0.8
119.03521	3.9
121.03014	0.6
122.03733	2.0
123.00909	0.8
125.02445	6.1
131.03525	8.2
134.07417	1.0
135.04507	0.5
135.08186	1.5
137.09688	1.7
139.07690	1.8
139.11368	0.4
143.03481	0.7
149.02591	4.2
149.04565	20.1
149.09741	20.6
150.03249	16.3
151.04025	0.6
153.09238	7.7
161.02412	0.5
161.04581	1.9
164.04845	1.0
165.04352	0.6
165.05580	16.3
166.02750	0.7
167.10793	20.7
179.03485	0.5
179.05592	0.6
179.07118	0.8
180.04344	0.9
181.05032	0.7
191.05672	10.0
191.07283	0.8
194.05791	0.8
195.06721	3.8
205.05032	0.5
206.06085	0.5
219.03134	0.6
221.06508	0.6
224.83157	0.5
233.06660	2.1
234.05310	0.6
243.15932	0.5
247.02588	0.5
249.07570	0.5
251.07726	0.6
262.04776	0.6
264.06384	0.6
271.27979	0.6
276.06354	0.5
277.07138	2.1
282.08951	0.6
293.08902	2.2
297.11096	0.7
337.09372	3.4
364.60251	0.4
369.13370	1.0
375.14359	0.8
396.51288	0.5
405.21555	1.6
461.14578	0.9
493.26416	0.4
533.16772	0.7
537.25635	100.0
538.26233	0.5
579.17572	1.7
597.18402	10.0
599.61963	0.6
624.42261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.0
59.07558	0.3
59.83945	0.3
61.98841	100.0
63.76403	0.3
67.33552	0.3
71.01390	1.5
72.62984	0.4
77.23627	0.3
85.02953	0.7
92.10138	1.3
93.03491	0.5
96.96025	0.5
97.00262	0.3
101.02477	0.4
115.97679	0.3
137.02385	0.4
191.05661	0.7
220.13062	0.3
329.53922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	2.4
59.01390	41.3
60.33770	1.4
61.98839	6.6
69.51760	1.5
71.01387	34.4
73.02950	15.9
73.03761	1.4
75.00906	1.7
81.03479	2.3
83.01418	7.8
85.02969	6.2
87.00887	30.5
89.02447	51.9
89.88803	1.4
95.13371	1.4
96.96010	6.2
97.02986	3.2
99.00883	19.1
100.01637	2.2
101.02450	22.1
111.00888	35.7
111.01582	2.7
113.02475	5.8
116.92878	1.8
119.03569	2.3
121.02979	3.7
122.03750	8.6
123.04528	2.2
125.02443	3.3
131.03502	7.0
133.02977	2.3
135.04568	2.7
136.01695	2.2
149.02461	32.1
149.04575	10.9
149.09732	2.4
150.03232	100.0
151.04015	8.3
153.09268	1.5
161.02451	6.7
163.04004	2.2
164.04782	12.8
165.05569	88.9
167.10727	1.7
173.04489	1.9
176.04750	2.2
179.03481	9.3
179.07159	13.0
180.04253	8.8
181.05051	3.1
191.05650	15.1
193.05067	2.0
194.05840	7.6
194.10828	1.8
195.06587	15.0
202.56866	1.6
205.05031	2.1
209.08287	8.6
221.35181	1.8
229.01471	2.0
233.06665	1.9
234.05376	2.0
247.06026	2.0
249.07722	3.2
264.06393	10.5
265.07211	11.0
272.84595	1.7
312.34006	1.8
337.09433	3.3
404.31857	1.9
411.01297	2.1
413.12781	2.1
461.14569	39.5
489.26425	2.0
507.24176	3.4
507.66776	1.7
537.25635	60.4
579.17413	3.1
597.18347	76.6
606.11877	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	596.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92364	0.1
56.47986	0.1
56.91638	0.1
59.01388	14.7
60.01719	1.8
61.01809	1.8
61.98836	100.0
63.99275	0.7
65.75932	0.1
72.58590	0.1
87.02258	0.2
134.03694	0.3
166.45937	0.2
241.09930	0.2
257.77069	0.2
259.20715	0.2
304.45578	0.2
483.26675	0.2
536.63654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85588	0.2
59.01383	3.0
61.14531	0.2
61.98835	100.0
66.23167	0.2
66.42799	0.2
67.01898	0.2
73.87980	0.2
83.05029	0.4
107.86431	0.2
111.04488	0.2
113.11497	0.2
120.91807	0.2
143.75528	0.2
166.81047	0.2
280.00043	0.2
331.99088	0.2
343.71814	0.2
383.33966	0.2
467.07593	0.2
498.29349	0.4
499.29639	0.8
517.30792	0.8
518.31244	1.9
535.31897	0.4
536.31934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43728	2.2
54.39032	2.2
56.47075	2.2
59.01391	17.6
60.01708	3.5
61.01825	3.4
61.98841	100.0
92.10730	5.8
97.02981	4.5
100.05993	2.5
100.16608	2.5
225.00444	2.4
225.03456	2.4
237.80630	3.4
356.25104	3.2
380.08072	3.5
383.85297	2.9
534.32166	3.5
535.31628	5.0
536.31995	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	596.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26876	0.4
59.01395	4.2
61.98841	100.0
69.65325	0.5
71.01392	0.7
74.56599	0.4
85.02944	0.5
88.39872	0.4
89.02462	0.5
91.23066	0.4
94.47874	0.4
101.02442	0.5
131.63246	0.5
134.53610	0.4
190.17593	0.5
191.05624	2.8
360.19458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03523	0.1
59.01381	0.9
61.98835	100.0
64.79140	0.1
67.20548	0.1
69.21696	0.1
99.89209	0.1
114.45941	0.2
134.95947	0.2
247.97060	0.2
309.59814	0.1
332.23425	0.2
387.93585	0.2
405.33307	0.2
471.43149	0.2
500.29849	0.3
517.31024	0.7
518.31323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.0
59.07558	0.3
59.83945	0.3
61.98841	100.0
63.76403	0.3
67.33552	0.3
71.01390	1.5
72.62984	0.4
77.23627	0.3
85.02953	0.7
92.10138	1.3
93.03491	0.5
96.96025	0.5
97.00262	0.3
101.02477	0.4
115.97679	0.3
137.02385	0.4
191.05661	0.7
220.13062	0.3
329.53922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51933	0.3
55.01891	1.4
57.03458	1.4
59.01386	100.0
60.99313	0.3
61.98841	2.3
71.01382	13.4
72.99325	0.6
73.02941	4.4
83.01395	2.1
85.02959	7.7
87.00891	0.7
88.44971	0.3
88.98817	1.7
89.02442	6.1
93.03486	0.6
95.01378	0.6
96.96005	0.5
97.02937	0.7
97.53816	0.3
99.00883	2.2
101.02444	11.3
111.00930	0.4
113.02464	5.8
119.03491	1.3
135.04538	0.6
143.03537	0.4
159.02957	0.6
161.04599	4.4
173.04524	0.3
191.05605	2.0
306.15524	0.4
373.23889	10.4
441.22372	0.3
503.00256	0.4
535.29199	36.9
579.28564	2.4
589.07941	0.4
595.31287	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	595.2899
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
75.62677	1.0
78.95901	79.4
83.98991	1.1
96.96956	14.2
121.14959	1.5
152.99606	100.0
171.00615	2.6
195.03719	1.2
223.00124	12.6
241.01208	27.9
279.23315	90.7
315.04880	13.8
328.56934	1.3
390.02429	1.5
527.50415	1.5
572.90698	1.6
595.29004	96.4
596.29028	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	595.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.6
57.03452	11.9
59.01383	26.9
60.01727	1.5
61.98832	30.9
67.01908	1.7
71.01387	1.3
73.02932	1.2
78.91897	1.9
81.03463	1.2
83.01395	4.1
83.05038	3.5
84.02184	4.3
85.02956	58.1
97.02966	7.9
97.12370	0.8
101.83041	0.7
111.04530	3.3
118.29453	0.7
119.08684	9.9
125.06069	10.5
135.08218	1.0
137.06108	0.8
137.09810	6.4
137.10658	0.9
139.33817	0.7
141.21873	0.9
149.09731	1.3
151.07535	1.0
178.06352	10.0
179.10822	0.9
202.88303	0.8
203.10808	1.2
205.21010	1.0
233.15382	1.1
243.13742	0.9
261.14960	1.0
325.21896	1.5
327.26233	0.9
341.21304	4.9
369.20712	11.2
385.20288	11.7
387.21823	40.0
407.00830	0.8
491.32901	3.4
535.31976	4.6
547.29443	4.3
549.30804	100.0
550.30927	1.1
593.29626	1.0
595.32599	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	595.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58879	0.7
55.32195	0.7
57.03467	1.5
58.00628	1.3
59.01389	56.1
60.99318	3.8
61.98834	1.6
67.01905	3.4
71.01386	22.5
72.13470	0.7
72.99332	1.1
73.02969	4.0
75.46873	0.8
81.03489	1.0
83.01420	1.4
83.05050	1.0
85.02959	7.7
87.00894	2.0
87.15665	0.8
88.98806	22.4
89.02451	12.4
90.24789	0.7
93.03448	21.8
95.01362	1.0
99.00887	1.6
101.02433	8.4
103.04005	1.3
109.02993	1.5
111.00917	1.1
111.04533	6.4
113.02488	3.7
116.92902	0.9
119.03514	1.2
124.01688	3.2
127.04070	1.0
132.02202	0.9
135.04536	3.7
137.02443	3.8
139.04021	7.1
141.61282	0.9
147.04546	1.6
149.02469	18.8
151.00385	5.4
151.04092	1.2
155.03467	1.9
158.03741	0.8
159.04507	1.5
160.01653	1.8
161.02513	1.4
163.06110	1.2
164.04831	18.8
166.02718	14.2
167.03484	1.4
173.04568	73.2
175.03990	1.9
179.03439	1.3
181.05112	9.4
183.16318	0.9
186.03363	0.9
187.04008	5.4
191.05627	8.7
201.05490	1.6
203.03523	1.7
204.39931	0.9
217.05072	1.6
223.06123	19.2
232.07520	1.4
233.08200	1.0
255.06284	0.8
265.05078	3.2
277.05212	1.4
293.04755	7.7
307.06232	1.5
308.06979	7.5
309.07861	1.1
322.08493	1.4
323.09256	16.0
324.06409	1.2
335.08878	0.9
337.10846	1.6
338.11575	6.7
339.08691	3.8
339.12390	1.1
341.10532	1.6
353.10208	5.2
367.12048	1.5
368.12827	1.8
369.09613	13.2
369.14005	8.5
383.11426	1.5
384.12296	9.8
397.11462	41.1
399.14554	100.0
400.15027	1.3
535.27643	2.1
595.30103	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	595.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	68.5
69.03503	2.6
70.72544	2.2
71.01389	53.6
72.99332	2.3
73.02944	17.9
85.02994	13.0
89.02449	75.6
92.10102	6.4
93.03490	2.6
95.01430	2.5
96.96023	16.5
99.00869	27.1
101.02435	27.5
106.47127	2.3
113.02454	12.9
119.03511	4.9
119.05000	2.6
125.02443	3.5
131.03502	9.0
136.22408	2.4
149.04594	23.7
163.11392	2.2
175.11250	3.0
188.55222	2.4
191.05649	39.7
205.12387	14.6
225.04085	4.5
229.01408	5.0
535.24078	100.0
544.82617	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	595.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52515	0.8
53.22016	0.7
55.01886	4.7
57.03455	2.0
58.00600	1.2
59.01386	80.9
68.80857	0.9
69.03466	4.4
71.01382	72.0
72.99301	5.8
73.02950	27.4
75.00868	8.9
81.03444	1.1
83.01392	6.3
85.02950	22.5
87.00894	2.1
89.02443	70.2
89.66749	1.0
93.03460	1.1
95.01385	4.1
96.95995	1.3
97.02962	4.6
99.00883	31.3
101.02443	44.9
109.39431	1.0
111.00899	1.1
113.02457	21.5
115.03999	5.3
119.03497	6.0
121.02927	1.6
125.02458	10.5
127.03962	1.0
128.57918	0.9
131.03505	8.7
137.02461	1.0
143.03502	3.6
149.04553	20.8
161.04572	7.3
163.81734	0.9
167.03499	5.0
178.02782	1.0
179.03488	1.9
181.05119	2.3
191.05600	11.9
193.05101	1.2
194.05693	1.1
197.08153	1.1
209.08214	1.7
211.06129	1.2
221.06631	1.1
233.04298	0.9
233.06578	4.6
241.07243	2.0
251.07588	2.3
269.22781	1.1
293.08755	5.4
352.08237	1.0
403.16110	15.8
535.20337	100.0
536.20929	1.0
576.76715	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	595.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82873	1.1
54.93746	1.0
55.01887	1.7
57.03452	1.7
57.86105	1.1
59.01384	100.0
67.01880	1.3
69.03463	6.2
71.01380	80.2
72.99332	4.3
73.02939	13.3
75.00886	1.0
78.02916	1.3
81.03474	2.1
83.01402	6.8
85.02943	21.0
87.00885	6.4
89.02440	78.8
92.10745	1.6
92.65996	1.1
93.03434	9.6
95.01388	4.4
96.96007	7.1
97.02949	7.8
99.00887	18.7
99.04497	1.1
101.02443	40.0
108.27970	1.1
111.00873	1.2
111.04524	2.4
113.02458	21.9
115.04001	1.5
119.03488	23.6
121.16758	1.0
125.02434	26.6
130.08723	2.5
131.03493	8.9
135.04471	2.0
139.03978	1.4
143.03522	5.8
149.04561	13.4
149.09698	1.1
159.02966	1.1
159.04468	1.3
161.04546	11.0
161.09737	7.7
163.04019	19.0
165.09149	1.3
172.09825	1.2
173.04556	4.2
178.06378	22.2
179.05620	13.9
179.10760	7.9
181.05052	13.3
185.02480	9.2
191.05624	35.0
191.10849	1.1
193.08723	9.3
196.07481	12.8
203.03546	1.8
205.12332	5.8
208.92972	1.3
211.09746	17.0
221.06671	12.8
223.13388	4.8
233.06639	2.0
263.07831	4.1
282.63748	1.1
293.08856	6.4
323.09872	41.7
403.19931	1.3
421.07867	1.4
444.24356	1.1
461.20325	4.7
535.16425	1.9
535.24097	40.3
595.12854	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20451	1.5
55.01884	1.9
59.01385	100.0
59.54024	1.8
61.98831	4.1
65.75079	1.7
66.10506	1.7
66.40627	1.9
67.58644	2.0
71.01389	49.5
72.99339	7.8
73.02966	14.5
75.00880	4.0
79.42297	2.1
81.03457	2.2
82.95429	2.1
83.01394	5.1
85.02956	21.5
87.00857	2.5
88.98800	3.1
89.02446	40.8
93.03476	9.8
95.01387	2.1
96.96035	3.5
99.00885	10.6
101.02435	25.8
104.60583	2.4
109.02940	8.4
113.02467	19.8
116.92876	3.8
119.03513	12.0
119.05000	2.7
123.04506	2.6
133.02937	3.9
135.04544	13.8
137.02449	5.2
143.03407	2.5
147.04541	3.1
149.02245	2.1
151.00385	4.2
153.01952	11.8
158.03685	3.0
159.04547	4.6
160.05290	13.3
161.02451	15.5
166.02745	20.2
173.04544	13.6
173.06094	9.5
174.03226	3.3
175.04036	17.4
175.07710	8.5
179.03522	11.7
179.07033	2.9
181.05089	27.2
183.39905	2.2
188.04887	2.7
189.05608	2.7
190.06358	4.5
191.05608	16.5
196.70796	2.1
201.11371	3.8
202.02747	4.2
203.03577	13.3
205.08734	10.5
217.05115	8.8
218.05940	16.9
232.07431	2.8
233.08191	13.5
293.08688	2.6
301.10867	3.8
339.08575	2.5
345.22787	3.1
353.09003	4.8
355.08310	13.5
370.10690	3.7
371.73724	2.3
374.02817	2.5
385.13055	34.2
388.69232	2.4
397.12589	2.5
415.13901	13.1
515.49487	2.7
535.21875	2.5
535.30878	3.3
577.29083	3.8
595.20636	97.0
595.30298	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79322	0.6
59.01384	22.0
59.59140	0.7
63.58400	0.7
63.67614	0.7
69.42223	0.7
71.01379	19.3
72.99303	1.4
73.02951	6.4
75.00883	0.9
75.43409	0.8
81.03446	1.1
83.01401	0.9
85.02972	4.5
87.00875	0.9
89.02441	22.7
90.02481	0.8
92.66135	1.1
93.03484	2.0
95.49730	0.8
97.02986	0.9
99.00874	7.7
101.02454	12.2
107.05029	26.5
107.05711	1.2
113.02459	1.9
118.09792	0.8
119.03506	1.2
121.02962	7.4
131.03484	1.6
133.02969	1.2
135.04543	10.7
137.02443	1.2
149.04546	6.1
151.00386	1.1
151.04015	1.1
161.04543	1.3
179.03503	100.0
191.05678	6.2
191.07213	0.8
219.66336	0.9
243.03004	1.7
255.03098	3.0
271.02417	6.7
300.02811	9.9
301.03519	3.2
359.35950	0.8
415.16116	3.0
433.15244	1.3
503.74167	0.9
517.22882	2.9
535.24121	8.4
595.13629	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	595.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.9
57.03466	0.8
58.54232	0.7
59.01390	16.0
61.98844	0.7
62.08285	0.9
62.64806	0.6
67.01907	0.8
68.76910	0.6
71.01396	13.4
73.02969	3.9
75.00877	1.5
83.01391	1.2
85.02947	5.5
87.00894	1.8
88.93320	0.7
89.02440	9.8
92.10072	1.5
93.03463	3.0
95.01394	3.6
96.55424	0.8
96.96027	1.7
97.02975	0.8
99.00904	3.2
101.02435	5.7
107.05062	4.7
109.02984	1.1
111.00918	4.7
113.02463	3.4
119.05009	2.8
121.02915	1.1
123.00906	6.1
123.04587	0.8
124.01683	5.6
125.02470	4.4
127.00422	1.4
133.02989	1.6
134.03770	0.8
135.04535	9.1
136.98839	3.6
137.02477	4.9
137.06090	1.1
137.34302	0.7
138.03233	4.2
139.00391	15.0
139.03998	6.0
143.03503	1.0
145.02985	4.6
146.03775	0.9
147.04573	6.9
148.01711	1.0
149.02454	1.7
151.00427	1.4
151.04079	1.1
152.01176	1.7
153.01936	5.1
153.05571	3.3
154.02777	1.0
159.04541	1.1
161.02451	6.3
161.04593	1.0
161.33469	0.7
162.03273	7.5
163.03978	8.1
165.02003	0.9
165.05571	1.7
166.02721	9.6
167.03540	3.4
173.02441	1.4
173.04514	1.6
174.03262	1.1
175.03981	5.6
176.01189	3.3
176.04837	0.8
177.01962	2.9
177.05594	11.1
178.02791	1.3
178.06268	1.0
179.03494	1.0
181.05099	9.5
188.01311	0.7
189.01994	3.8
189.05659	1.4
190.02800	0.9
191.03499	6.8
191.05664	5.0
192.04337	1.8
192.07913	1.0
193.05089	3.8
203.03569	9.7
204.04300	4.0
205.05176	2.9
206.02489	1.0
207.06657	1.8
218.05913	8.3
219.06671	3.0
221.04593	1.6
227.07323	0.9
233.04558	0.9
235.06255	0.9
236.06909	1.0
251.09218	1.5
267.02728	0.9
271.06186	0.8
315.08685	1.3
325.07346	0.8
338.08508	1.2
342.07159	1.0
343.08322	3.6
353.10440	1.3
355.08392	4.6
357.10040	1.6
358.10623	24.2
370.10574	3.9
373.13004	47.3
376.32803	0.8
385.12921	1.3
385.95380	0.9
402.09644	1.8
403.09546	8.4
403.14236	5.4
405.11627	0.8
417.12106	3.6
418.12830	7.6
419.13339	2.9
433.15121	100.0
434.15399	1.1
517.23145	0.9
520.59888	1.0
535.24243	6.3
535.31781	1.0
565.15588	3.5
580.17474	0.9
595.20587	49.5
595.29553	2.4
596.20819	0.9
620.92114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79112	1.2
59.01395	13.7
61.98842	15.4
65.00338	1.6
71.01402	9.8
72.99307	14.8
73.02998	1.4
75.00896	6.2
76.04833	1.1
81.03477	1.5
85.02985	2.7
88.98811	14.5
89.02471	7.9
89.99165	1.9
90.46201	1.3
93.03460	2.6
95.01400	21.4
97.02946	1.5
99.00900	1.7
101.02443	5.5
107.55598	1.4
109.03001	2.4
111.00872	3.0
111.31506	1.5
113.02457	2.6
121.02966	2.9
123.00879	20.0
124.01669	6.3
125.02450	7.0
127.00374	2.4
132.02090	1.7
135.04539	2.5
136.98819	2.8
137.02449	7.6
138.03224	10.1
139.00375	19.0
139.04047	7.0
140.01187	1.6
141.01834	1.9
145.02943	2.1
149.02486	1.6
149.46509	1.5
151.00378	5.5
151.04117	2.1
152.01134	2.2
153.01967	6.5
153.05595	3.5
161.02484	2.6
162.03217	3.6
163.00327	1.5
165.01898	1.4
166.02681	10.5
167.03506	2.6
168.71419	1.2
173.02408	1.4
175.04053	5.9
176.01180	3.2
176.04745	2.0
177.01927	7.6
177.05592	9.6
178.02750	6.7
181.05121	9.7
188.04460	1.5
189.01874	2.5
191.03571	2.7
191.05563	2.5
192.04396	12.9
193.05003	13.5
203.03517	3.5
204.04326	6.0
205.05080	2.2
207.06650	13.4
218.05893	9.2
219.06656	2.6
221.04524	2.5
227.03577	31.1
228.03867	16.8
229.03912	10.6
231.05672	2.3
234.05315	2.7
255.03029	46.0
256.03381	32.4
257.03586	30.9
284.03308	52.3
285.03751	44.8
286.03934	45.6
287.04639	13.0
342.75052	1.7
343.08450	3.4
350.97751	1.6
357.09995	2.7
358.10617	24.4
370.10751	2.7
373.13000	57.4
403.10074	7.6
403.14746	10.9
417.11887	2.2
418.12863	14.8
433.15060	100.0
517.85162	1.6
565.16028	2.0
579.17303	1.7
580.18085	2.6
595.15979	46.1
595.20471	55.4
598.50793	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	595.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77211	0.6
58.00615	2.5
59.01387	100.0
59.33199	0.6
65.79777	0.6
67.01952	0.6
69.03459	0.8
71.01393	23.5
72.99332	3.7
73.02949	9.7
83.01376	0.6
85.02976	4.4
87.00887	44.6
89.02454	40.0
93.03476	1.2
96.96017	10.9
99.00880	12.4
101.02455	14.7
103.00375	35.9
110.21261	0.6
112.98820	0.7
113.02453	5.0
114.38827	0.6
119.03555	1.4
119.05020	0.7
121.02959	76.3
125.02454	3.4
130.99866	30.1
131.03505	5.4
135.04535	2.8
143.03468	0.8
149.04582	16.7
149.05681	1.3
157.02919	0.7
161.04562	2.5
173.04555	1.3
179.03503	0.8
191.05670	10.5
221.06598	1.0
229.01436	5.4
240.49367	0.6
249.01083	0.6
250.65761	0.7
251.07863	1.5
253.03563	49.7
258.00070	0.7
293.08630	1.0
311.09872	1.0
353.09055	1.1
385.18600	0.8
517.22980	6.8
535.24030	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	594.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94164	0.7
53.47472	0.6
59.01389	7.2
61.98835	100.0
62.18213	0.7
65.47363	0.6
65.65137	0.6
77.31438	0.7
82.85477	0.8
87.88339	0.7
104.74897	0.8
165.29451	0.9
269.56229	0.7
284.96225	0.9
423.08865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
57.03460	0.3
58.94273	0.1
59.01109	0.3
59.01396	9.1
60.01736	0.8
61.01824	0.3
61.98843	100.0
65.10595	0.2
71.01392	4.3
73.02950	1.5
75.42214	0.1
83.01405	0.9
85.02956	2.3
86.03320	0.2
89.02457	1.1
95.01394	0.3
96.95996	1.7
99.00874	0.8
99.96791	0.2
101.02438	3.4
107.85686	0.2
113.02467	1.5
143.03702	0.2
159.02980	0.2
161.04538	0.7
191.05582	0.3
402.25705	0.4
445.16217	0.2
483.22760	0.2
533.29626	2.9
534.30078	6.3
541.36664	0.2
564.25140	0.7
564.75183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.3
59.01385	1.9
60.01711	0.3
61.98837	100.0
64.60095	0.1
68.57701	0.1
75.06915	0.2
85.02962	0.9
86.03297	0.2
91.97037	0.2
115.34589	0.2
135.20441	0.2
172.99316	0.2
514.28754	0.2
515.29535	0.9
516.29565	0.8
581.27576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03461	1.5
59.01387	38.7
60.01723	2.9
61.01804	0.5
61.98835	100.0
67.01894	0.4
77.95210	0.2
78.31913	0.2
81.03465	1.6
83.01379	0.2
83.05023	2.4
84.02165	1.8
84.05338	0.2
85.02452	0.3
85.02954	7.0
86.03294	0.9
93.03467	2.6
95.01398	1.3
95.05017	0.2
96.01753	0.3
100.44241	0.2
101.64554	0.2
104.52522	0.2
111.04521	1.5
112.04861	0.3
121.02995	1.5
122.03799	1.8
123.04599	0.2
144.34665	0.2
178.06258	0.4
179.06580	0.3
225.09233	0.3
226.09663	0.2
247.16983	1.3
248.17383	0.8
271.51093	0.2
311.92966	0.2
318.55069	0.2
353.21033	0.3
354.21588	0.4
371.22269	2.0
372.22525	2.2
472.31192	0.3
482.26553	0.4
490.30865	0.3
497.29221	1.4
498.29529	3.0
515.30145	4.2
516.30585	10.8
532.30206	0.3
533.31177	4.4
534.31500	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	594.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19345	0.3
52.69362	0.3
54.37887	0.3
59.01390	5.6
61.98837	100.0
67.01892	0.3
67.72649	0.3
81.03460	0.3
83.05023	1.4
85.02941	0.5
93.03435	0.5
121.02872	0.3
192.91510	0.3
222.39809	0.4
226.38338	0.4
303.38995	0.3
491.72925	0.4
498.29285	1.3
515.30011	2.7
516.30597	4.7
534.31750	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	593.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77130	0.2
57.03458	0.4
58.66566	0.3
59.01387	100.0
59.94839	0.2
60.01726	0.6
61.01837	0.3
61.62866	0.2
61.98833	6.7
63.90185	0.2
71.01372	2.0
73.02955	1.2
75.00863	0.3
81.03474	0.4
83.01389	0.5
83.05043	1.2
85.02953	2.4
89.02438	0.4
92.10114	0.7
93.03415	0.3
96.96027	1.4
97.02963	0.3
97.06614	0.4
97.61874	0.3
99.00858	0.5
101.02452	1.8
113.02460	1.2
121.02948	0.3
123.04446	0.3
146.28201	0.3
161.04556	0.3
162.44209	0.3
173.25415	0.3
178.84033	0.3
253.37959	0.4
377.86026	0.3
407.02246	0.3
409.26160	2.0
482.21368	0.3
482.71823	0.4
515.29913	0.6
533.31213	12.5
563.24255	1.1
563.74542	0.5
593.33923	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	593.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
59.01389	100.0
60.01719	0.4
61.98840	14.7
71.01393	5.8
72.99323	0.6
73.02962	2.4
81.03469	0.4
83.01397	1.8
85.02949	4.4
89.02481	3.1
92.10137	2.0
95.01383	0.4
96.96020	3.1
99.00859	0.7
101.02451	5.5
113.02477	1.7
125.02512	0.5
161.04582	1.9
189.67264	0.5
191.05692	1.0
191.69368	0.4
203.54552	0.4
359.58813	0.5
452.40717	0.5
482.22342	0.6
533.30322	6.5
563.24957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	98.3
60.01721	5.8
61.01818	1.1
61.98835	100.0
70.10081	0.3
74.57536	0.3
78.55824	0.3
85.02963	0.5
87.94013	0.2
89.90284	0.3
91.43533	0.3
152.85075	0.3
162.45732	0.3
208.95702	0.3
345.35785	0.3
371.22183	0.4
372.22009	0.5
533.30042	0.5
534.30298	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	593.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49062	0.4
59.01390	100.0
61.98849	4.6
71.01398	2.8
73.02959	0.7
83.74961	0.4
85.02955	1.9
89.02464	0.9
95.01456	0.4
96.95994	1.9
101.02465	2.4
113.02458	0.5
119.83348	0.5
120.51936	0.4
135.08147	0.8
182.68268	0.4
182.69821	0.5
191.05688	0.6
248.71844	0.5
314.79391	0.4
471.31567	0.6
533.31519	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	593.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79715	0.8
53.36893	0.7
57.03463	1.6
59.01387	54.6
60.01728	0.9
61.98836	100.0
64.99557	0.9
67.01907	3.6
68.71715	0.9
73.02961	1.3
74.20084	0.9
78.62743	0.9
81.03481	6.0
83.05034	14.5
84.02211	2.1
85.02960	6.8
93.03465	9.4
95.01396	5.0
95.05029	1.1
95.88499	0.8
97.02991	1.5
101.96110	0.8
105.25169	0.8
111.04520	8.7
121.02953	4.3
121.06528	1.2
122.03755	8.4
123.04501	1.1
161.06052	1.0
162.06485	1.1
175.07736	0.9
225.09128	1.6
247.17130	1.1
249.18636	2.1
325.21555	1.2
327.23392	1.3
353.21164	1.2
410.43271	1.0
441.32483	1.1
471.31100	3.7
487.30240	1.0
489.32904	13.7
497.29144	22.7
513.28015	1.0
515.30084	71.4
516.30151	1.2
533.31256	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20373	0.8
54.82489	0.8
56.70872	0.9
57.03464	1.5
59.01387	38.6
59.45801	0.8
67.01900	8.1
67.17616	0.9
71.01377	0.9
81.03468	5.3
83.05025	12.0
85.02962	11.6
92.10760	1.1
93.03460	1.0
97.02955	30.3
97.09814	1.0
110.27094	1.1
111.04547	4.7
119.08662	0.9
120.86533	1.0
164.49135	0.8
194.99341	1.1
224.93387	0.9
503.12280	1.1
533.31293	100.0
534.31067	1.5
557.78540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18266	0.3
59.01385	100.0
60.01722	2.5
61.01795	0.8
61.45194	0.3
61.98836	10.9
62.10154	0.3
62.99039	0.3
71.01400	1.6
73.02950	0.6
81.03446	0.4
82.95432	0.6
83.05042	0.8
85.02959	2.1
88.00049	0.3
92.10043	0.8
101.02425	0.8
181.58884	0.4
239.03207	0.4
489.31610	2.1
513.29285	0.5
514.28857	0.7
515.29211	8.5
532.30042	0.6
533.30756	6.4
550.24567	0.6
582.43121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50745	0.3
54.80232	0.3
56.90915	0.3
57.03442	0.4
57.10968	0.3
59.01387	100.0
61.98835	17.9
62.98494	0.3
66.56196	0.3
81.03458	0.7
82.78492	0.3
83.05033	2.1
84.02164	0.6
85.02943	2.1
92.10798	0.7
111.04514	1.8
111.83884	0.3
123.96381	0.3
193.12363	0.6
210.60509	0.3
325.20163	0.8
337.20456	0.4
353.59756	0.4
406.38931	0.4
489.32062	2.1
515.29694	0.4
533.31274	24.7
534.31549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14075	0.3
55.82067	0.3
59.01387	100.0
61.98833	0.7
105.93812	0.3
293.62415	0.3
333.47528	0.3
533.31189	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	593.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01388	100.0
67.01899	12.2
81.03455	7.0
83.05037	16.2
84.02170	1.1
85.02959	5.8
93.03477	6.8
95.01388	7.0
99.24570	0.8
108.97884	0.9
111.04539	6.3
121.02972	5.0
122.03773	9.3
123.04514	1.9
163.80685	0.9
225.09209	5.5
337.18100	1.6
353.21091	1.2
481.26563	1.7
497.29187	31.0
515.30243	79.2
516.30359	2.1
533.31232	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61582	0.6
55.85639	0.6
57.03455	3.1
59.01388	74.6
60.01730	1.0
62.34360	0.6
67.01889	0.6
67.63787	0.6
69.03466	1.2
73.02953	0.6
77.30337	0.6
81.03442	0.7
83.05032	5.4
84.02185	1.4
85.02969	14.9
89.53996	0.6
92.09814	0.5
92.10055	0.7
94.47074	0.7
97.02963	23.9
111.04551	2.2
119.08696	1.1
140.13399	0.6
165.19785	0.7
233.09032	0.8
371.22815	0.6
471.31409	1.2
489.32257	3.9
533.31293	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	593.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.5
59.01393	19.8
60.13114	0.5
65.66754	0.5
67.01904	2.7
69.03461	0.9
72.99316	1.0
73.02953	2.9
75.00880	100.0
81.03477	2.7
83.05037	6.9
85.02966	3.7
86.51418	0.5
93.03496	0.6
96.70598	0.5
97.02967	2.2
111.04539	2.5
115.00382	0.6
212.92830	0.5
232.91364	0.5
267.08658	0.6
345.24368	1.2
410.30319	0.6
422.16183	0.7
469.35339	0.7
489.32117	0.6
515.30377	1.2
533.31299	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63853	0.9
52.72853	0.9
59.01392	4.0
61.98852	0.9
73.02953	1.2
75.00874	100.0
95.28976	1.1
121.02958	1.5
133.82388	1.1
136.08669	1.0
179.54811	0.9
370.80396	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	593.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
57.03462	0.6
57.27527	0.4
59.01386	100.0
61.98855	2.5
64.03291	0.5
70.69331	0.5
70.91357	0.4
71.01382	16.2
72.99352	0.5
73.02954	5.2
83.01396	3.4
83.06730	0.6
85.02956	8.7
87.00880	0.9
89.02440	13.7
90.63116	0.5
90.94389	0.5
95.01382	4.3
97.02941	0.7
99.00872	4.1
101.02439	18.5
109.02975	1.1
113.02441	7.6
114.39071	0.5
119.03542	1.3
125.02390	0.8
131.03505	2.3
137.02466	0.8
138.03288	0.6
139.04030	1.2
142.50764	0.5
149.04576	2.3
161.04564	1.2
165.66161	0.5
176.08662	0.6
191.05597	1.2
225.09283	3.6
311.09821	1.3
321.18597	0.8
335.20154	0.6
337.18246	0.8
353.21231	13.1
357.70450	0.6
441.00339	0.6
456.99911	0.6
515.26605	60.9
516.26666	1.1
533.27338	15.4
549.26587	4.9
557.27679	1.3
575.28949	4.1
593.29846	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	593.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03457	1.6
59.01388	100.0
60.46583	0.6
60.99310	1.5
64.88574	0.7
71.01389	15.7
72.99313	1.3
73.02951	5.8
73.34776	0.7
83.01424	3.3
85.02969	9.1
88.98813	10.1
89.02467	9.9
92.10107	1.8
95.01403	1.1
99.00898	4.6
101.02451	14.9
113.02455	6.7
119.03508	1.9
119.05113	1.3
135.04582	1.3
161.02475	1.8
161.04613	1.2
188.50107	0.8
191.05600	3.2
225.09235	4.5
251.38235	0.8
252.23862	0.7
298.79257	0.8
335.20566	0.9
337.18118	3.7
353.10547	1.0
353.21246	12.6
431.22675	1.6
437.75671	0.9
515.26575	68.0
533.27521	17.4
541.22797	0.9
552.11945	0.8
593.28473	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	593.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00539	1.4
59.01391	2.7
78.95909	73.2
92.10162	3.9
96.96963	17.6
115.18641	1.9
116.92841	3.1
152.99603	100.0
171.00658	2.2
223.00117	11.3
233.00198	2.2
241.01234	28.4
253.51299	2.1
259.02103	2.3
277.21710	64.9
315.05023	13.1
353.86728	2.2
416.99255	2.2
541.27094	2.0
593.27405	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46339	0.8
59.01388	2.2
61.98833	1.9
63.64436	0.9
77.57372	1.0
78.95913	83.7
80.81146	0.9
84.84447	1.2
93.74061	1.0
96.96964	17.4
106.02762	1.0
112.34165	0.9
116.92867	1.3
152.99603	100.0
171.00659	1.5
177.59773	0.9
223.00185	11.0
241.01242	28.0
259.02347	1.4
277.21759	69.2
315.04794	11.4
526.09875	1.0
580.86725	1.1
593.27466	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14557	0.3
55.01884	2.7
57.03456	0.9
58.00596	0.6
59.01387	100.0
61.98834	2.4
66.95428	0.4
71.01389	18.6
72.99326	0.5
73.02947	7.6
75.00893	0.6
83.01409	3.0
85.02954	10.1
87.00891	0.9
88.98789	0.7
89.02453	9.0
92.10052	1.1
93.03480	1.9
95.01388	2.0
97.02931	0.7
99.00887	3.6
101.02449	16.9
109.11499	0.5
113.02456	9.8
119.03496	2.3
121.02934	0.9
123.04482	0.6
125.02489	0.8
127.71397	0.4
149.04552	0.7
149.06056	0.5
159.02995	1.8
161.04576	6.1
179.05602	0.5
353.21344	0.5
371.22351	7.9
401.25305	1.9
533.28729	38.4
593.29785	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	593.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67651	0.3
54.83171	0.3
59.01384	1.5
60.99311	19.4
71.01377	0.7
72.99324	0.7
75.93336	0.3
82.54562	0.3
87.00854	1.1
88.00404	0.6
88.33787	0.3
88.98804	100.0
89.02438	5.1
96.96004	0.5
99.00867	0.5
101.02447	0.6
109.33340	0.3
138.03117	0.3
140.76994	0.3
177.36415	0.3
205.77188	0.4
448.78369	0.4
503.25461	0.5
592.01703	0.3
593.25629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67325	0.2
52.30218	0.3
54.82096	0.3
59.01107	0.5
59.01389	9.3
60.99316	18.0
61.98831	0.5
71.01388	2.5
73.02951	0.6
84.01848	0.3
85.02972	0.8
87.00893	1.3
88.00450	0.4
88.98819	100.0
89.02452	4.0
92.09694	0.4
93.03490	0.3
101.02452	1.4
113.02443	0.8
135.04518	0.5
161.04649	0.5
191.05612	1.5
283.02835	0.3
353.10193	1.3
353.21390	0.4
383.11072	0.4
503.25281	0.4
515.26648	3.1
533.27405	0.7
593.28253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54795	0.6
57.03192	0.6
57.03460	1.5
58.00605	1.4
58.09671	0.6
59.01387	74.3
59.08721	0.6
69.03461	1.3
71.01384	45.5
72.99310	3.1
73.02946	18.2
81.03439	0.7
83.01397	1.3
85.02943	6.7
85.06602	0.8
87.00887	0.9
89.02445	100.0
96.96011	3.5
97.02972	4.0
99.00881	28.0
101.02444	30.0
105.84210	0.7
107.07088	0.6
109.06593	1.6
113.02450	6.6
113.06081	1.4
116.92928	1.2
119.03497	3.7
121.02975	0.8
125.02431	5.8
125.09723	1.3
131.03502	12.1
135.04478	2.5
141.01718	2.8
142.45737	0.7
143.03529	2.9
149.04568	45.1
150.03241	1.5
151.07660	0.9
156.52815	0.6
161.02441	4.6
161.04564	5.2
163.07664	0.9
164.08463	0.9
168.07927	5.4
176.04794	3.9
177.05557	1.4
177.09250	0.9
178.06392	0.8
179.03510	9.5
179.05653	1.2
179.10806	24.7
191.05643	14.1
191.07138	1.4
194.05948	5.9
197.95432	0.8
203.10768	2.8
208.19745	0.6
209.08234	5.6
221.06725	8.1
221.11847	16.0
239.05589	1.7
240.48376	0.8
248.34985	0.8
251.07800	8.0
293.08765	6.1
311.09943	9.8
323.09763	5.9
411.12729	0.8
451.18356	1.4
515.21283	4.3
533.22583	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	593.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66314	0.8
58.00607	0.7
59.01390	100.0
59.38205	0.9
69.03506	0.9
71.01387	27.0
73.02967	1.9
76.74396	0.9
81.69504	0.9
83.01415	0.9
85.02973	6.9
87.00885	1.5
89.02452	31.4
91.05566	1.7
93.03493	1.1
95.01389	1.7
96.96010	10.4
97.02993	1.2
97.05782	1.0
98.14925	0.9
99.00883	2.0
101.02438	16.3
113.02453	7.5
116.92850	1.8
119.03513	8.0
119.04987	1.4
120.21407	1.2
120.80701	0.8
121.02966	6.5
125.02485	1.2
131.03474	1.6
135.04543	73.8
141.01724	12.3
143.03468	2.2
149.04562	5.7
150.03262	2.3
151.04060	1.1
153.83679	0.9
161.02463	3.8
161.04594	4.2
163.03957	7.1
176.04723	1.6
179.03586	7.3
179.05623	23.8
184.78894	1.0
191.05629	2.0
194.05772	7.0
209.04645	2.2
209.08333	7.0
221.06606	0.9
225.04057	5.5
239.05801	1.4
241.48694	1.2
314.07321	0.9
317.74176	1.0
323.09888	4.1
367.16327	1.8
451.18204	4.9
532.66083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	100.0
65.52837	1.1
71.01406	7.9
73.02916	1.6
85.02983	1.5
89.02447	14.1
93.03474	2.1
93.72570	1.1
96.96014	6.9
99.00867	2.2
100.81990	1.1
101.02467	2.8
119.03500	2.0
125.02353	1.4
137.02455	5.6
139.07695	2.3
141.01718	35.0
191.05681	2.3
194.63205	1.1
213.03853	1.2
218.61783	1.1
234.52277	1.2
244.36519	1.2
255.81715	1.2
319.14050	2.7
401.13290	2.1
451.18277	41.1
473.16644	2.5
493.84848	1.4
533.17676	6.4
599.99542	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	593.189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07668	0.6
52.66385	0.5
55.01883	2.5
57.03463	1.2
59.01387	100.0
61.98825	0.6
71.01382	22.2
72.99309	1.0
73.02957	6.1
78.01981	0.6
82.70930	0.6
83.01408	3.1
85.02957	8.8
87.00881	0.9
88.98828	2.9
89.02446	12.1
93.03439	0.8
95.01393	0.8
97.02918	0.9
99.00887	3.1
101.02441	17.1
103.27989	0.6
113.02447	6.6
117.57176	0.6
119.03511	1.6
121.79118	0.6
125.02393	0.8
127.04001	0.7
127.31658	0.6
133.02968	0.8
135.04539	0.7
149.04524	1.3
159.03038	0.8
161.02463	2.7
161.04576	3.6
175.03960	0.7
179.05692	0.9
191.05618	4.7
225.09251	4.2
239.50995	0.7
240.04521	0.7
255.02966	0.8
267.06726	1.3
279.06461	0.8
323.05637	0.9
323.09314	0.8
335.31979	0.8
336.29593	0.8
337.18259	2.7
338.07986	0.9
338.64709	0.8
341.10358	3.3
353.10245	5.0
353.21185	14.0
359.33655	0.8
370.64578	0.6
383.11469	1.1
395.11374	3.0
425.27286	0.8
431.22977	8.8
443.13644	1.1
473.14539	1.5
499.23569	0.9
515.26575	59.9
533.17767	0.6
533.19019	0.8
533.27338	12.6
547.27930	0.8
576.19617	0.8
593.28741	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1523
Annotation	Datiscin
Peak:m/z	Relative Intensity
54.54111	0.6
61.76107	0.5
63.02428	0.6
71.46259	0.6
75.54635	0.6
83.17841	0.6
92.10078	1.2
93.03479	1.0
97.54297	0.6
107.01408	3.0
109.02972	0.9
111.91952	0.6
118.37404	0.7
132.02190	0.7
135.00914	2.5
143.05023	1.5
151.00381	4.1
159.04498	1.0
163.00372	3.8
167.05125	1.1
170.38220	0.7
171.04437	0.9
185.06102	3.1
187.04051	3.5
195.04460	1.1
197.06055	0.8
199.04070	1.4
201.05573	0.8
211.04027	4.3
213.05626	1.4
215.03229	0.7
227.03551	45.2
228.04216	0.9
229.05092	19.2
239.03519	1.1
240.04321	1.0
241.04980	1.1
255.03026	75.0
256.03845	6.1
257.04648	7.2
267.03116	1.2
284.03302	81.9
285.04089	100.0
593.15277	79.7
594.15668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07668	0.6
52.66385	0.5
55.01883	2.5
57.03463	1.2
59.01387	100.0
61.98825	0.6
71.01382	22.2
72.99309	1.0
73.02957	6.1
78.01981	0.6
82.70930	0.6
83.01408	3.1
85.02957	8.8
87.00881	0.9
88.98828	2.9
89.02446	12.1
93.03439	0.8
95.01393	0.8
97.02918	0.9
99.00887	3.1
101.02441	17.1
103.27989	0.6
113.02447	6.6
117.57176	0.6
119.03511	1.6
121.79118	0.6
125.02393	0.8
127.04001	0.7
127.31658	0.6
133.02968	0.8
135.04539	0.7
149.04524	1.3
159.03038	0.8
161.02463	2.7
161.04576	3.6
175.03960	0.7
179.05692	0.9
191.05618	4.7
225.09251	4.2
239.50995	0.7
240.04521	0.7
255.02966	0.8
267.06726	1.3
279.06461	0.8
323.05637	0.9
323.09314	0.8
335.31979	0.8
336.29593	0.8
337.18259	2.7
338.07986	0.9
338.64709	0.8
341.10358	3.3
353.10245	5.0
353.21185	14.0
359.33655	0.8
370.64578	0.6
383.11469	1.1
395.11374	3.0
425.27286	0.8
431.22977	8.8
443.13644	1.1
473.14539	1.5
499.23569	0.9
515.26575	59.9
533.17767	0.6
533.19019	0.8
533.27338	12.6
547.27930	0.8
576.19617	0.8
593.28741	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	592.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73187	0.1
52.91583	0.1
54.28333	0.1
57.03457	0.2
59.01392	5.9
60.00472	0.1
60.01712	0.2
61.33426	0.1
61.98842	100.0
66.41248	0.1
71.01411	0.1
79.15638	0.2
83.05017	0.2
85.02975	0.3
85.43243	0.1
93.03453	0.7
109.02975	0.3
117.07124	0.2
119.79187	0.1
123.33010	0.1
137.02438	0.7
147.08141	0.2
149.09821	0.1
161.06108	1.2
162.06462	0.3
175.07617	0.3
484.27844	0.3
485.28391	1.0
486.28534	1.1
496.28162	0.2
513.28540	1.4
514.21973	0.3
514.28943	3.6
531.29865	0.2
532.29602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66298	0.1
54.46602	0.1
57.88688	0.1
59.01395	0.6
60.72264	0.1
61.98835	0.1
69.00935	0.1
75.00882	0.6
77.03976	0.2
82.84441	0.1
101.17944	0.1
120.02170	0.9
121.02958	100.0
121.94850	0.1
122.03271	0.2
136.01683	0.5
163.14154	0.1
165.01952	3.2
165.07060	0.1
180.05774	0.8
181.05099	0.2
181.06613	3.1
197.06108	2.6
207.04535	0.6
207.08218	0.5
209.04585	31.1
216.50215	0.1
223.04106	0.2
225.05597	1.8
251.07242	0.2
257.09711	0.5
285.09293	0.2
301.08835	0.5
304.97934	0.2
313.07245	1.6
329.08408	0.1
357.06265	0.6
372.09641	0.1
373.11182	0.1
374.13077	0.1
383.07828	0.7
417.09949	1.2
505.11511	1.8
535.91064	0.1
549.10547	4.4
578.27051	0.1
593.13165	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	593.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15637	0.3
58.21323	0.3
59.01386	0.9
60.99311	2.3
63.02400	0.4
65.00328	0.4
75.00858	0.6
85.02950	0.4
88.98808	12.3
88.99350	0.6
89.02451	1.4
89.79485	0.3
93.03466	1.3
94.77124	0.3
99.00850	0.5
101.02443	0.4
107.01377	2.9
110.72372	0.4
120.02091	0.3
125.02482	0.7
132.02173	1.7
135.00894	2.3
135.42558	0.4
137.14293	0.5
151.00400	3.3
159.04530	0.7
163.00340	1.7
164.01201	0.5
167.05096	0.5
175.59058	0.4
183.04530	0.9
185.06061	1.8
187.04031	1.6
191.05600	1.3
195.04503	0.4
197.06096	0.6
199.04024	0.4
211.03961	3.1
213.05521	0.7
227.03537	46.6
228.04033	0.4
229.05115	6.8
239.03473	1.9
240.04230	0.6
241.05017	0.6
255.03021	82.3
256.03830	4.4
257.04590	3.1
283.02341	0.4
284.03302	100.0
285.04071	31.7
326.56793	0.4
327.05328	0.7
475.24625	0.4
533.22699	0.6
593.15283	68.9
594.15533	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	592.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39248	0.3
57.03453	0.7
59.01385	30.9
60.01717	1.8
61.00357	0.2
61.01810	0.7
61.98836	100.0
69.92685	0.2
75.74037	0.3
81.03469	0.3
83.01397	1.8
83.05046	1.3
84.02174	0.3
85.02969	2.4
86.03287	0.5
89.76629	0.3
109.78288	0.3
124.01648	2.0
141.45813	0.3
149.09709	0.5
178.06407	0.7
359.60010	0.3
448.27829	0.4
487.30582	1.5
488.31046	2.3
513.28357	0.5
514.29205	2.5
531.29584	3.4
532.29926	8.3
539.71021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63097	1.7
52.96062	1.7
53.91073	1.9
56.45406	2.0
57.03472	7.7
57.30367	1.7
58.06399	2.0
59.01386	100.0
61.98839	28.4
61.99061	1.7
62.34323	1.8
71.01388	29.9
73.02968	13.2
83.01408	4.5
83.85002	2.0
85.02950	17.8
88.98824	13.6
89.02438	32.6
92.10840	5.5
99.00896	9.8
101.02452	23.4
113.02497	10.4
124.47446	2.1
125.02437	2.6
129.79803	2.3
131.03442	2.9
134.03778	15.8
149.04576	4.9
161.06096	7.6
189.64740	2.2
193.05148	10.9
195.73524	2.4
201.09399	2.1
227.38136	2.3
291.39517	2.1
306.37875	2.9
495.27420	4.6
513.28662	53.1
525.59393	2.1
531.27771	57.2
609.78961	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	592.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50835	0.2
59.01385	23.9
60.01713	2.1
61.01808	1.0
61.98834	100.0
62.62988	0.2
63.05719	0.2
63.85152	0.2
73.02940	0.2
81.03458	0.4
83.05013	1.8
84.02177	0.4
84.05403	0.4
85.02524	0.2
85.02934	2.0
101.02451	0.2
109.02975	0.4
111.04539	0.6
122.69981	0.2
127.03981	0.5
145.05121	0.3
149.74640	0.3
161.36562	0.2
186.80901	0.2
250.39082	0.2
339.19681	0.3
470.29868	0.3
483.27600	1.8
484.27890	3.3
514.28857	0.4
531.29492	2.6
532.29895	5.4
544.35693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50588	0.3
57.82430	0.3
59.01389	100.0
61.98830	0.5
71.01396	1.5
73.02962	0.5
83.05064	0.6
85.02954	2.8
89.02454	1.2
92.10777	0.7
101.02434	0.8
113.02419	0.5
116.29225	0.3
119.78004	0.3
371.80441	0.3
457.18442	0.3
495.28293	0.7
513.28522	3.5
531.29504	13.5
591.32257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81439	0.3
59.01385	100.0
80.77367	0.3
85.02964	0.4
85.76125	0.3
88.71556	0.3
127.04016	0.5
151.87292	0.3
174.42232	0.3
186.76030	0.3
238.38933	0.3
371.21994	0.4
531.29797	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	591.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03440	3.6
59.01392	100.0
63.69554	0.4
66.24957	0.4
66.53983	0.4
67.01894	0.9
68.99814	0.5
79.51037	0.4
81.03468	2.0
83.01395	0.9
83.05032	6.2
84.02181	1.7
85.02956	17.8
93.03468	1.0
95.01390	0.7
99.47021	0.4
111.04527	2.7
121.02952	1.0
161.06105	2.0
175.07707	0.6
202.25548	0.6
295.20660	1.1
313.21808	2.0
321.18628	2.1
339.19736	1.0
351.19653	2.2
435.27805	0.8
436.44470	0.5
457.29724	8.6
483.27597	59.6
484.27695	2.0
487.30643	0.8
495.27908	0.6
501.28705	5.5
513.28625	20.0
531.29730	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	591.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57484	0.4
55.75872	0.5
56.69474	0.4
59.01392	5.6
63.99155	0.4
72.99312	3.6
73.02954	2.9
75.00877	100.0
80.58534	0.5
84.75076	0.4
92.10886	0.8
102.94221	0.4
525.29559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
63.49362	0.4
91.37371	0.4
111.89510	0.4
172.35194	0.5
346.98141	0.5
508.39951	0.5
531.29297	0.6
578.57684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	3.9
57.03454	23.4
59.01395	75.4
59.78200	0.6
60.01736	0.7
61.98860	1.6
67.01894	6.5
68.99826	0.9
69.03465	1.1
71.01400	1.1
71.05037	0.8
73.02977	0.8
75.00861	5.0
81.03452	5.3
83.01401	10.2
83.05036	11.6
84.02184	8.7
85.02961	100.0
93.03480	3.3
95.01409	2.9
95.05075	0.7
97.02969	4.8
98.03713	0.6
109.02971	1.4
109.06618	1.3
111.04526	5.1
117.07104	2.7
121.02967	0.9
121.06626	0.8
123.04553	3.0
123.08187	0.9
133.06573	1.1
135.08182	1.0
137.02437	1.0
137.06099	2.4
138.16827	0.8
139.04028	4.7
143.71945	0.7
147.08182	1.4
160.05396	1.1
161.06079	13.6
163.03986	1.3
164.04768	1.1
165.09305	0.8
175.07648	9.7
192.39203	0.7
240.89218	0.8
247.17107	3.9
284.71219	0.7
328.01892	0.7
333.18878	3.2
351.19635	11.6
405.05417	0.7
472.99020	0.7
489.28888	0.8
495.27682	1.1
505.31799	3.8
513.28662	54.4
514.28802	1.2
524.89880	0.8
531.29651	15.5
547.33521	13.9
549.30811	15.2
570.20599	0.8
573.30737	16.6
591.31964	45.0
592.32678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46029	1.0
52.50642	1.4
55.01882	2.2
57.03446	1.4
58.89404	1.4
59.01387	61.5
61.98841	7.1
71.01382	46.1
72.99307	2.3
73.02948	14.9
75.00880	1.7
83.01390	3.5
85.02954	13.7
86.04195	1.5
87.00875	6.9
88.98827	1.9
89.02448	67.3
93.03442	3.2
96.95998	14.3
97.02981	3.3
99.00899	21.1
100.70328	1.6
101.02431	26.5
107.74386	1.6
113.02467	14.0
115.04045	1.8
116.92883	10.0
119.03500	8.4
121.02972	26.6
125.02466	6.5
131.03497	9.3
132.23807	1.5
135.04460	1.9
143.03499	2.1
149.04562	20.6
161.02415	1.9
161.04599	6.3
173.04510	2.0
179.05699	1.8
191.05611	36.9
192.00647	7.0
195.06670	1.7
207.03018	7.3
209.04607	9.3
233.95943	1.7
319.82263	1.8
393.17737	13.2
423.18610	2.5
531.24677	15.5
547.14319	6.3
555.23035	100.0
591.20624	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93935	0.5
52.31384	0.5
55.67129	0.4
59.01390	7.5
59.35604	0.5
60.99310	19.3
71.01384	3.1
73.02945	0.9
79.95726	1.1
80.96555	0.6
81.51082	0.5
81.65724	0.5
84.95083	0.5
85.02959	2.2
87.00871	13.2
88.98804	100.0
89.02439	6.4
96.96010	13.1
98.94193	0.6
99.00876	0.7
101.02458	2.1
113.02476	1.3
125.61993	0.6
149.02415	0.6
149.04541	1.1
156.10201	0.6
185.53076	0.6
191.05606	1.2
192.37993	0.6
205.05194	0.8
208.03842	0.6
223.06152	0.7
232.46295	0.6
241.00323	1.2
283.43881	0.6
300.87039	0.8
396.65994	0.5
503.25201	0.7
531.27228	0.5
591.24933	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	590.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	6.9
60.01739	0.4
61.01822	0.4
61.98842	100.0
63.76223	0.3
70.90812	0.4
71.01397	2.4
78.31181	0.4
85.02982	0.6
89.02450	2.0
93.03455	0.4
96.96010	1.8
98.95595	0.4
101.02425	0.9
113.02461	0.4
116.92822	0.6
124.30235	0.4
132.02188	1.4
134.03732	3.8
135.04572	0.5
136.01651	0.6
138.05638	0.8
149.06082	0.7
160.01701	7.9
175.03989	7.9
191.05615	2.5
192.79260	0.4
193.05089	2.9
206.60783	0.4
235.06133	1.8
241.05087	0.8
242.05383	1.7
244.41679	0.4
249.06886	0.4
256.07355	0.6
271.09790	0.8
272.10178	0.9
387.84457	0.5
513.57843	0.4
530.29626	2.0
531.17267	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	590.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04200	2.0
53.47179	2.0
59.01393	15.1
61.98838	21.9
71.01377	2.7
81.03472	2.6
99.64161	2.3
120.01249	42.8
151.11496	2.6
154.05766	2.9
161.77255	2.8
183.93782	2.8
192.55533	2.4
230.89433	2.3
294.21555	3.2
409.31171	10.5
425.34354	75.8
469.33325	100.0
590.35553	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35622	1.7
66.56220	1.7
69.86932	1.8
74.82874	1.8
91.19440	1.8
97.20855	1.7
107.19371	2.1
117.03476	21.1
118.30967	1.8
121.02997	6.5
123.04541	2.5
126.49619	2.1
132.05806	24.5
145.02977	77.7
162.03259	2.1
164.33841	2.3
210.41945	2.5
279.93414	2.1
292.09885	2.0
302.31409	2.2
310.33737	2.1
349.39255	2.1
354.94238	2.1
589.39124	100.0
590.39832	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	589.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54816	1.3
59.01387	1.4
81.15515	1.3
112.71249	1.4
116.92900	5.2
117.03474	15.5
119.05048	1.6
121.02945	2.5
123.04513	1.4
132.05807	23.0
145.02963	62.8
155.35371	1.4
160.54968	1.4
175.03979	2.4
175.27666	1.4
196.24135	1.5
370.22653	1.4
383.63220	1.3
589.39075	100.0
590.39728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19363	0.6
68.04482	0.6
78.81653	0.6
92.95607	0.7
117.03469	25.6
121.02966	7.9
123.04521	1.8
127.59248	0.7
131.05023	1.3
132.05823	26.9
134.03737	1.4
145.02975	80.8
146.03677	0.9
149.02228	0.7
171.44771	0.9
173.92679	0.8
175.03972	1.7
188.65710	0.8
249.94852	0.8
460.45111	0.9
462.85638	0.9
498.36349	0.7
582.25415	0.9
589.39099	100.0
590.39142	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	589.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67277	0.2
57.68436	0.2
58.69037	0.3
59.01381	1.4
67.01889	0.8
70.58416	0.3
73.02946	100.0
77.16058	0.3
81.03448	0.5
83.05023	1.5
84.88866	0.3
92.62757	0.3
96.10789	0.3
111.04573	0.3
116.92850	0.6
145.02965	0.6
179.02592	0.3
179.50278	0.3
225.09285	2.6
283.59204	0.4
337.18042	1.6
401.14645	0.3
458.77219	0.3
480.90829	0.3
481.26056	1.9
497.29190	33.9
498.29727	0.5
515.30115	2.0
551.32300	0.5
589.33661	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	589.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17336	0.4
58.10889	0.4
72.99306	2.6
75.00873	100.0
92.10835	0.7
116.92855	7.4
160.99750	0.5
319.08197	0.5
343.29089	0.5
383.74680	0.5
597.05872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50591	1.0
55.47876	1.0
59.01384	25.9
59.01650	1.4
71.01405	6.1
73.02966	7.6
75.65376	1.4
77.37920	1.3
85.02958	1.5
87.00867	1.3
89.02464	4.8
91.47864	1.3
101.02486	6.2
161.04648	1.3
164.13361	1.2
195.13887	9.9
223.13445	5.7
235.17220	1.7
243.54178	1.4
253.09340	24.9
275.20282	8.0
293.21280	100.0
363.02353	1.5
431.93295	1.5
497.29163	2.0
560.79486	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	589.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37304	2.0
54.82622	2.7
58.57687	2.3
59.01384	43.6
61.98840	5.6
66.77235	2.1
71.01395	2.8
73.02946	2.5
73.25024	1.9
73.49911	2.1
75.00850	22.8
77.16398	2.3
82.28286	2.2
84.87505	2.2
89.02476	3.9
96.96008	3.2
101.02516	2.5
116.92832	3.0
121.10255	8.8
171.10287	34.4
183.13966	19.7
204.82069	2.7
211.13365	3.2
253.09285	30.8
275.20206	53.1
293.21249	100.0
294.21741	2.7
429.23727	2.7
445.36469	2.5
447.13174	3.2
485.29172	4.1
529.28717	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	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47504	1.4
54.82487	1.5
55.30387	1.4
56.91635	1.5
58.71325	1.4
59.01389	48.6
60.72314	1.5
61.98843	7.5
65.52352	1.3
71.01398	10.0
71.05030	2.1
72.99320	3.1
73.02946	13.3
76.18881	1.4
80.24215	1.4
89.02461	10.4
92.10801	3.4
96.96030	2.0
101.02462	9.3
111.34268	1.6
111.48402	1.3
113.02473	3.3
119.03455	2.5
121.10228	18.7
134.77748	1.5
151.77423	1.6
161.04520	2.0
163.62073	1.9
171.10278	78.3
179.05669	2.4
231.21231	3.6
235.17072	7.9
253.09338	36.0
275.20197	100.0
291.19690	2.2
293.21280	84.6
303.59485	1.7
477.41895	1.7
529.28217	1.9
560.25531	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	589.3029
Annotation	CHEBI:70547
Peak:m/z	Relative Intensity
55.01888	1.1
57.03452	4.2
59.01387	100.0
63.73621	0.2
68.99824	0.3
69.03465	0.3
74.72947	0.2
78.40958	0.2
81.03443	0.3
83.01382	0.5
84.02179	1.5
85.02956	18.9
95.66573	0.2
107.39420	0.3
138.00952	0.2
166.19365	0.3
211.07646	0.4
212.08601	0.2
213.09204	0.4
243.31425	0.3
246.85777	0.3
253.12344	0.9
321.18784	0.6
331.17188	1.0
349.18158	5.0
378.04840	0.3
398.66037	0.3
440.67102	0.3
511.27090	5.8
529.28186	18.7
598.55560	0.3
599.88318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98614	1.0
55.01897	2.1
55.95692	1.1
58.00617	1.8
58.39203	0.9
59.01385	91.0
61.98840	1.0
64.34650	1.5
69.03480	1.9
71.01382	51.4
73.02948	20.5
80.16005	1.2
81.03467	1.1
83.01422	2.4
83.05025	1.4
85.02950	16.0
87.00900	2.6
89.02441	62.0
95.01441	1.4
96.95994	1.2
97.02951	4.4
99.00882	28.8
101.02441	29.2
113.02462	10.5
115.03999	1.6
119.03452	2.5
119.62818	1.1
125.02431	6.6
131.03537	6.2
143.03601	1.5
149.04576	22.4
149.88469	1.2
156.77342	1.3
161.04572	5.1
191.05656	7.5
191.53360	1.3
217.15985	5.6
221.06647	1.3
233.06699	4.6
241.09932	1.6
251.07643	2.1
293.08838	6.4
299.70874	1.3
330.44843	1.2
397.22269	4.9
402.74121	1.5
429.76285	1.2
495.24054	5.5
511.27075	29.0
529.26691	100.0
569.15387	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	589.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84631	0.9
51.54706	1.0
58.00615	1.6
59.01397	73.4
66.20068	1.1
71.01392	41.7
72.99309	1.5
73.02962	22.2
83.01392	2.4
85.02953	5.9
89.02451	100.0
99.00893	30.1
101.02444	37.1
113.02480	6.4
119.03477	1.7
125.02456	5.8
131.03511	10.2
143.03526	1.6
149.04578	43.1
191.05637	14.8
221.06685	5.5
234.48695	1.3
251.07703	6.6
299.87848	1.4
311.09784	4.5
481.26151	2.6
511.27252	1.8
529.26727	35.3
600.93750	1.4
612.11688	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	589.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45737	0.3
54.73777	0.4
54.87971	0.4
55.01883	0.9
57.03453	5.2
59.01386	100.0
73.08577	0.3
81.24613	0.4
83.05037	0.6
84.02170	1.7
85.02953	21.8
111.02570	0.4
180.06934	0.4
194.40698	0.4
195.87090	0.4
197.65289	0.4
290.06750	0.5
321.18829	0.5
349.18030	5.2
399.66843	0.5
438.95059	0.4
511.27176	8.2
529.28162	18.8
589.30408	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	589.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14886	2.5
52.74953	2.5
59.01387	100.0
64.34450	2.8
69.15916	2.6
71.01383	54.1
72.99291	3.6
73.02948	21.1
75.95111	2.7
85.02979	18.1
87.00912	3.6
89.02445	86.1
99.00871	35.3
101.02429	40.3
102.72495	2.9
113.02504	13.0
119.03532	3.7
125.02483	4.8
131.03520	15.4
149.04594	41.9
191.05635	15.8
227.66536	3.4
251.07855	4.7
414.62729	3.8
529.26587	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03782	1.3
57.22882	1.3
59.01386	33.6
61.98853	6.8
71.01387	23.3
73.02967	7.4
79.95754	1.6
83.27953	1.6
85.02982	9.9
86.42669	1.5
88.52116	1.6
89.02444	32.8
93.03471	1.8
94.06630	1.8
95.05055	3.7
96.96020	15.1
99.00885	13.5
101.02465	16.3
107.98434	1.6
113.02481	2.8
114.06978	1.6
114.39051	2.0
122.06123	31.0
126.70261	1.9
131.03522	2.5
133.02985	10.5
134.03801	2.3
136.07738	1.8
139.06444	1.6
146.06158	11.3
149.04544	11.9
152.07266	2.9
161.04561	2.6
177.01984	3.6
179.03505	2.0
191.05714	7.8
196.07715	2.2
200.46626	1.6
207.03061	2.0
211.10008	2.4
212.10931	13.6
213.10417	3.1
226.07605	11.8
226.12418	31.2
227.08296	71.5
227.11903	3.4
239.08305	2.4
240.09036	10.9
241.09865	89.2
242.10640	19.6
243.11382	2.3
245.13007	3.1
253.09895	2.3
254.10765	6.6
255.11430	58.5
268.92899	1.7
269.12991	70.5
270.13699	6.0
274.13318	3.1
275.14053	28.1
285.12671	2.0
313.11938	24.0
314.12814	29.1
410.21121	2.5
453.19363	6.5
454.20172	9.5
529.26642	21.4
589.26935	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	587.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82452	1.8
59.01389	2.0
61.98840	2.4
68.35519	1.6
68.39542	1.5
73.56262	1.6
74.07759	1.6
91.35063	1.5
93.03464	12.5
99.92576	22.0
109.00488	1.6
115.92052	3.8
116.92870	12.4
119.05039	3.2
139.07352	1.6
212.84747	2.0
220.97775	2.1
243.74466	1.8
279.84406	2.2
296.51056	2.1
377.86993	2.0
492.15619	2.0
543.38538	22.9
587.27319	10.1
587.37476	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	589.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05880	0.6
51.67068	0.7
57.03467	0.7
59.01386	32.6
61.98834	9.5
71.01384	22.9
72.99332	1.4
73.02942	7.5
81.03487	4.6
83.01427	2.1
83.05021	0.9
85.02517	0.8
85.02943	6.3
87.00908	5.5
89.02449	33.0
93.03458	7.3
95.01431	1.0
96.96004	7.5
97.02981	1.1
99.00864	6.3
99.04520	14.1
101.02449	16.4
110.58799	1.0
111.04530	1.0
113.02469	10.2
113.06091	1.2
115.04009	3.8
119.03530	3.9
119.05013	1.1
121.02968	100.0
122.03312	1.1
123.04546	5.5
125.02455	2.0
131.03479	3.6
133.02994	1.0
135.04558	4.2
135.27144	0.8
136.89180	1.3
137.02484	6.4
141.05623	1.6
143.03523	36.8
145.05077	1.2
149.04553	9.5
150.03241	1.2
153.05585	1.6
160.04015	0.9
161.04555	8.7
161.09731	1.0
164.04854	1.0
165.05672	0.9
167.03528	4.9
179.03519	1.2
179.05621	1.3
185.04517	1.6
191.05629	7.8
191.60895	0.8
221.06631	0.8
229.24341	0.8
245.06586	1.6
265.07217	5.1
305.08856	4.1
307.08270	1.5
341.10886	1.3
367.09903	7.5
427.12567	22.5
467.14365	8.7
529.22626	1.1
553.28351	1.7
589.17822	36.6
589.26050	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	587.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	1.2
64.21792	0.9
67.06244	0.9
76.12119	1.2
76.46712	1.0
82.04359	1.0
87.16566	1.0
91.64528	1.1
92.92847	1.4
93.03461	17.6
99.92593	2.0
115.92081	2.0
116.92847	2.7
119.05015	19.4
132.05789	1.2
147.04581	1.9
290.06592	1.1
321.18570	1.8
345.18088	1.1
368.64429	1.2
385.16638	1.5
405.24835	1.3
407.25970	6.4
419.33118	1.5
431.33014	1.1
437.34393	1.8
523.35748	6.9
525.37738	13.2
539.35559	2.1
541.36597	1.2
543.38562	64.9
557.36267	1.4
587.37524	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	587.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26795	1.1
61.98836	1.9
74.80484	1.3
92.10103	1.2
93.03463	6.6
95.05066	2.4
99.92588	1.8
102.58468	1.2
106.04240	1.8
115.92080	2.0
116.92861	2.4
117.03446	1.4
119.05019	5.2
121.02930	2.0
123.20250	1.2
147.04556	11.9
167.58749	1.1
229.36172	1.1
243.26814	1.3
253.15390	1.2
425.30524	2.2
543.38538	32.8
587.28564	3.5
587.37579	100.0
588.38525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98858	0.9
62.91940	0.6
67.78569	0.7
71.05018	0.9
79.97681	0.7
93.03461	9.5
100.28605	0.8
116.92908	6.3
117.03452	7.7
119.05023	4.6
121.02938	8.3
123.04514	3.2
129.49541	0.6
133.03003	1.8
134.03754	4.5
145.02919	5.2
146.03778	1.8
147.04526	5.3
200.19623	0.8
241.69609	0.7
369.06775	0.8
425.30765	16.7
439.32217	7.1
457.33408	1.2
487.34305	3.1
493.33423	6.6
527.34473	0.9
541.88263	0.8
543.38458	4.4
559.38062	1.8
564.71204	0.8
587.37549	100.0
588.37909	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
57.03460	0.8
58.00610	0.6
59.01388	100.0
61.81035	0.4
61.98838	0.5
68.78253	0.4
71.01384	10.3
73.02950	3.9
75.00894	0.8
78.03342	0.4
78.95910	0.6
79.95737	0.5
80.80903	0.4
83.01402	2.5
83.38528	0.3
85.02956	9.1
87.00858	1.3
88.62217	0.4
89.02454	2.8
93.03468	1.9
95.01382	1.6
96.96011	31.9
96.96986	1.2
99.00883	2.3
99.04501	1.4
99.92600	0.5
101.02449	10.4
111.04506	0.5
113.02456	6.1
113.06119	0.4
116.92870	3.7
135.04533	0.8
145.70209	0.4
155.03537	0.4
159.02974	0.5
161.02386	0.5
161.04520	1.5
173.04646	0.8
179.03433	0.7
191.05663	6.2
265.05118	0.6
275.20276	0.8
287.20233	3.3
299.20096	0.4
311.20407	0.9
329.21307	1.8
339.05237	0.9
347.22205	2.0
365.18796	0.7
365.23398	15.5
389.17609	0.5
473.25214	0.7
527.28711	79.2
528.29034	2.3
587.19751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
57.03460	0.8
58.00610	0.6
59.01388	100.0
61.81035	0.4
61.98838	0.5
68.78253	0.4
71.01384	10.3
73.02950	3.9
75.00894	0.8
78.03342	0.4
78.95910	0.6
79.95737	0.5
80.80903	0.4
83.01402	2.5
83.38528	0.3
85.02956	9.1
87.00858	1.3
88.62217	0.4
89.02454	2.8
93.03468	1.9
95.01382	1.6
96.96011	31.9
96.96986	1.2
99.00883	2.3
99.04501	1.4
99.92600	0.5
101.02449	10.4
111.04506	0.5
113.02456	6.1
113.06119	0.4
116.92870	3.7
135.04533	0.8
145.70209	0.4
155.03537	0.4
159.02974	0.5
161.02386	0.5
161.04520	1.5
173.04646	0.8
179.03433	0.7
191.05663	6.2
265.05118	0.6
275.20276	0.8
287.20233	3.3
299.20096	0.4
311.20407	0.9
329.21307	1.8
339.05237	0.9
347.22205	2.0
365.18796	0.7
365.23398	15.5
389.17609	0.5
473.25214	0.7
527.28711	79.2
528.29034	2.3
587.19751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63619	0.7
58.00602	1.1
59.01379	100.0
62.77537	0.7
63.21392	0.7
66.96879	0.7
67.18024	0.7
71.01385	0.8
72.99317	3.6
78.28044	0.7
83.21288	0.8
87.00871	26.4
96.95991	3.4
101.06075	11.2
103.00363	50.6
112.98797	1.5
115.62701	0.8
122.43330	0.8
130.99855	31.8
161.69064	0.9
191.05602	12.1
192.05888	0.9
233.06680	60.5
240.88791	1.1
293.12433	1.5
331.04462	0.9
365.08060	0.9
608.69781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	92.9
61.78769	4.5
71.01394	48.2
73.02970	11.3
74.66515	4.2
79.11646	4.6
89.02445	100.0
96.96040	7.7
97.02985	6.3
99.00897	24.2
99.70870	5.4
101.02457	21.2
125.02473	28.0
131.03517	5.2
138.33183	5.5
149.04526	39.2
222.57033	5.9
233.06671	10.8
233.15508	97.9
290.19110	5.8
293.08801	55.2
405.59024	5.7
425.44403	5.0
432.38547	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	585.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88224	0.7
80.56586	0.7
81.61332	0.6
85.07125	0.7
112.48097	0.7
199.10847	0.7
199.13248	0.7
255.23323	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	586.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42350	0.6
58.02983	3.2
59.01388	15.9
61.98837	19.6
71.01395	3.4
73.04060	6.7
75.21413	0.7
82.06641	3.0
82.95419	11.5
84.00915	1.0
84.04539	5.6
84.95131	3.2
85.02963	3.2
87.04514	1.2
87.05634	14.7
89.02436	6.2
92.22391	0.8
93.03471	1.1
96.80318	0.7
96.95994	6.3
97.04090	3.1
98.02496	3.6
99.00858	1.1
101.02461	3.6
102.05611	45.1
106.06749	0.7
107.98866	0.7
109.04115	1.0
110.02446	1.4
113.02436	0.9
115.05141	19.5
119.05064	0.9
119.43108	0.7
126.06728	14.6
128.03540	100.0
129.10356	5.1
130.08740	25.7
135.04437	1.0
139.08774	1.0
140.07162	6.1
144.07828	14.7
144.78160	0.7
144.79297	0.8
146.04602	31.0
146.05702	1.5
152.76442	0.7
153.10374	1.5
154.12357	1.2
155.08282	1.0
155.11909	6.7
160.01584	0.9
161.04660	1.1
165.10405	1.2
168.07805	27.9
169.13533	1.0
171.15057	10.1
172.13446	0.8
175.04086	1.4
179.03558	1.0
182.12994	3.2
183.11330	3.0
186.08864	12.9
191.05682	3.3
197.12973	1.3
197.16579	1.5
199.18253	2.8
202.59052	0.8
207.15038	1.5
208.13525	1.5
210.31551	0.9
212.14069	0.8
215.13974	5.8
220.48793	0.8
224.17574	0.9
225.15990	5.6
228.30586	0.7
242.18736	1.1
252.20717	1.2
270.21988	6.4
281.16299	0.9
284.23477	3.2
300.15594	1.2
314.20819	1.7
327.24060	2.9
355.27039	1.5
370.94995	0.8
371.22748	0.9
399.26276	6.3
413.24075	23.7
437.18997	0.8
438.20590	1.2
457.26849	9.1
498.29446	1.6
505.61603	0.8
526.28314	1.3
542.28381	40.5
543.28906	1.0
568.29919	1.2
586.31079	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	48.1
61.98836	100.0
64.27865	4.1
69.81149	4.1
71.01398	26.8
72.99333	4.3
73.02930	6.4
75.00866	7.0
85.02934	5.1
89.02454	18.4
99.00865	6.7
101.02454	21.5
113.02458	9.1
116.92899	5.4
118.97278	4.4
119.03511	4.6
133.06642	4.7
150.04364	5.6
168.62675	4.3
191.05696	7.2
230.71475	4.5
259.21268	5.1
279.48761	5.0
410.64215	6.0
461.91373	5.7
574.50726	4.9
585.28729	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	585.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	48.1
61.98836	100.0
64.27865	4.1
69.81149	4.1
71.01398	26.8
72.99333	4.3
73.02930	6.4
75.00866	7.0
85.02934	5.1
89.02454	18.4
99.00865	6.7
101.02454	21.5
113.02458	9.1
116.92899	5.4
118.97278	4.4
119.03511	4.6
133.06642	4.7
150.04364	5.6
168.62675	4.3
191.05696	7.2
230.71475	4.5
259.21268	5.1
279.48761	5.0
410.64215	6.0
461.91373	5.7
574.50726	4.9
585.28729	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	585.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82547	0.7
55.01904	6.6
57.03470	4.9
58.00602	1.2
59.01392	55.6
61.19796	0.7
61.98843	1.8
69.03470	1.3
71.01389	60.1
72.99319	1.1
73.02947	25.0
75.00874	3.3
75.52903	0.7
75.99813	0.7
76.37705	0.7
79.55212	0.7
80.83065	0.7
81.03439	1.1
83.01392	11.4
85.02959	29.2
85.03462	1.2
86.00143	0.9
87.00900	4.4
89.02444	22.9
89.02931	1.3
93.67778	0.8
95.01393	4.1
97.02971	5.0
99.00872	9.3
101.02445	57.8
109.02954	0.8
111.00908	1.1
113.02452	25.7
115.04008	1.7
119.03510	3.2
125.02436	8.8
127.48318	0.9
131.03468	0.9
136.82576	0.7
143.03497	3.1
159.03020	3.4
161.04570	14.6
191.05650	1.3
205.19333	0.8
224.84023	0.9
233.06738	1.1
260.77087	1.0
291.18137	24.2
308.43878	0.9
423.22388	40.1
453.23462	15.8
525.28912	2.0
567.46643	0.8
585.27753	100.0
586.28619	1.4
593.09094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74931	2.1
56.86919	2.3
57.03464	11.8
57.26249	2.2
58.00624	2.5
59.01382	70.8
61.98835	68.5
62.99828	2.5
71.01382	69.2
72.99328	3.9
73.02947	20.7
83.01369	4.2
85.02966	20.6
87.04505	24.7
88.98854	4.0
89.02441	42.2
92.10787	7.5
93.03447	5.1
95.01381	3.5
96.96005	4.8
97.02980	3.3
99.00887	13.1
101.02446	43.4
101.52428	2.6
103.04008	100.0
113.02455	17.0
115.04006	2.8
119.03540	4.5
125.02455	5.5
133.03032	3.2
134.03752	2.7
135.04521	6.4
143.03459	3.1
149.04570	13.1
161.02432	11.6
161.04544	11.7
173.04460	3.2
177.01907	6.2
179.03513	4.0
191.05594	15.8
229.01569	2.8
367.11710	3.7
379.12326	4.5
400.47818	2.8
406.79138	2.7
437.20444	15.0
439.21924	13.1
525.25116	32.7
549.30261	2.9
585.26782	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	585.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79765	0.4
55.01899	0.7
57.03461	8.2
59.01389	18.4
61.98835	24.1
71.01386	26.9
72.01807	0.5
72.99329	0.7
73.02962	6.2
75.00900	0.5
83.01425	2.1
85.02957	6.4
85.12051	0.5
87.00882	0.7
87.04521	5.2
89.02444	12.0
93.03473	1.2
95.01421	0.8
97.02959	0.6
99.00897	4.0
99.04556	0.7
100.60971	0.5
101.02459	10.5
103.04019	100.0
113.02473	4.6
115.04070	0.6
119.03532	1.2
119.04985	0.5
125.02428	0.9
131.03490	1.9
133.02974	1.2
134.03806	0.6
135.04562	3.7
149.04611	2.0
157.05087	2.0
159.03030	0.6
160.01709	3.2
161.02492	4.1
161.04558	4.0
173.04562	0.7
175.04051	3.3
177.01978	3.1
179.03494	2.6
188.87231	0.6
189.08580	0.6
191.05695	2.3
238.98387	0.7
307.17599	0.8
363.21823	0.7
379.12671	6.9
420.79941	0.6
420.85538	0.6
437.20428	2.1
439.21942	3.3
525.25549	8.3
549.29340	1.2
585.26990	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	585.2846
Annotation	3-acetylecdysone 2-phosphate
Peak:m/z	Relative Intensity
54.82411	5.6
61.91307	5.4
66.06548	5.0
78.32389	5.6
115.99262	6.5
315.09430	5.9
481.26944	6.2
585.28607	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	584.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.8
61.98838	100.0
70.78411	0.2
71.01385	1.8
73.02922	0.3
75.30879	0.2
83.01397	0.2
85.02940	0.5
89.02468	1.1
92.10448	1.8
96.96011	0.6
101.02460	1.2
102.21806	0.3
113.02462	0.5
113.82796	0.2
119.03490	0.4
191.05626	1.3
204.96512	0.3
210.98869	0.2
523.26563	1.0
524.26660	3.0
540.12695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.8
57.78248	0.5
59.01382	23.7
61.98835	24.9
64.95675	0.5
66.41873	0.5
66.95930	1.1
67.44717	0.6
69.03464	1.2
71.01385	18.3
71.08308	0.5
72.99305	0.8
73.02960	3.8
75.00878	1.0
81.03453	0.9
82.95417	100.0
83.01393	1.2
84.95131	0.9
85.02966	4.4
87.00901	0.7
89.02439	19.6
93.03437	1.0
96.96021	0.9
97.02962	3.2
99.00876	4.2
99.04514	1.0
101.02444	6.7
107.05037	3.2
113.02461	3.9
114.26570	0.6
115.04008	2.5
116.92855	2.4
119.03493	1.0
119.05097	0.7
120.99671	4.9
125.02433	7.6
131.03526	1.1
133.02963	1.3
134.03781	1.4
135.04538	4.6
143.03387	0.8
149.04559	0.8
149.06076	10.7
151.04005	1.0
156.32408	0.6
160.01659	4.1
161.02443	5.1
161.04562	1.3
168.60133	0.6
173.04616	2.9
175.04015	3.6
179.03510	1.6
181.71021	0.6
191.05669	4.9
193.05072	0.7
207.10226	0.6
225.11226	0.8
233.06694	5.3
255.10277	4.5
293.08798	18.9
346.64566	0.7
353.08868	1.0
397.54919	0.8
503.10004	0.7
509.19681	0.8
513.18335	0.7
525.28436	3.5
549.19824	14.9
584.27972	1.0
585.23730	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	585.2335
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
50.06374	5.5
53.05930	5.2
54.82332	7.8
59.01381	63.6
61.98858	37.5
64.26161	6.9
71.01395	32.2
73.02968	8.4
88.98839	8.0
89.02474	39.0
96.96000	62.9
101.02460	12.9
116.92873	27.5
125.36153	7.3
135.04535	57.2
191.05698	8.2
207.99849	6.2
549.25415	15.3
563.33899	7.3
585.23175	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	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93861	0.2
53.87796	0.2
59.01385	5.5
59.95141	0.2
60.01706	0.2
61.98833	100.0
62.96253	0.2
63.12246	0.2
71.01387	2.3
73.02955	0.4
80.91705	0.4
82.95417	0.9
83.01405	0.3
84.57863	0.2
85.02945	0.5
88.65219	0.2
89.02444	1.5
91.02861	0.2
101.02450	1.1
113.02469	0.3
135.04507	0.4
145.02824	0.3
151.03973	0.3
156.19388	0.2
191.05576	1.1
222.00998	0.2
344.88870	0.2
418.22424	0.3
523.26971	0.4
524.27655	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	584.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82514	0.4
59.01387	7.9
61.98840	100.0
71.01392	2.5
72.01742	0.6
73.02969	0.7
77.95377	0.3
85.02970	2.2
88.98848	0.4
89.02451	2.2
90.11111	0.4
93.03472	0.5
96.96006	0.8
99.00879	0.8
101.02441	2.3
104.86953	0.4
113.02455	0.9
116.92847	0.5
118.98080	0.5
122.32404	0.4
157.53845	0.5
161.02473	0.5
175.04019	0.5
175.94414	0.4
191.05638	2.0
299.02155	0.6
318.89951	0.4
331.91248	0.5
349.62750	0.5
428.51938	0.5
473.12042	0.6
523.26288	0.7
524.27002	3.6
546.16528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84806	2.1
54.01419	2.4
62.96632	2.2
65.17389	2.3
67.76550	3.2
92.79318	2.8
103.28294	2.5
105.16904	2.5
155.10748	3.4
171.10249	6.5
180.30183	3.2
190.85555	3.1
225.12704	2.8
269.21286	29.3
287.22318	28.1
295.22879	14.1
313.23929	100.0
583.45844	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02967	1.1
55.01891	7.0
57.03457	6.9
58.00602	1.4
59.01385	100.0
61.98835	39.8
71.01382	62.0
71.01775	1.9
72.99324	1.5
73.02945	22.9
75.00878	1.7
78.10859	1.2
82.16053	1.2
83.01388	10.4
84.52534	1.2
85.02949	28.7
87.00887	6.0
88.98814	2.6
89.02442	36.4
92.10112	2.5
93.03452	6.4
95.01372	2.5
96.96021	5.3
99.00851	9.8
101.02445	50.1
101.03100	2.6
109.02956	1.3
111.00891	3.3
113.02449	23.6
119.03504	7.8
123.08118	1.7
135.04533	5.8
135.97971	1.4
137.02461	1.7
149.04567	5.4
153.01897	1.4
155.10765	2.8
159.02902	2.5
161.02469	7.1
161.04495	5.7
163.71948	1.3
169.14539	1.3
169.79109	1.4
173.04538	1.9
179.03603	1.6
179.05478	1.4
184.81880	1.6
191.05623	8.9
215.00760	1.5
289.23773	2.1
343.19315	2.7
361.20407	3.3
361.29520	9.3
451.29025	8.8
523.27295	11.3
523.34875	98.1
547.27527	2.3
583.25372	3.1
583.33624	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.5
57.03464	1.4
57.95954	0.6
58.00604	1.2
59.01382	48.2
60.01708	0.8
60.32681	0.6
61.98835	11.7
69.03455	1.0
71.01379	40.8
72.01727	1.0
72.99315	2.8
73.02941	15.8
75.00870	1.0
75.76742	0.6
78.91879	0.6
80.91677	23.8
80.92111	1.2
83.01385	4.7
85.02955	13.6
87.00875	3.3
87.96602	0.6
89.02439	42.3
90.02769	1.3
92.10027	1.5
95.01395	3.4
97.02974	1.5
99.00872	10.8
101.02437	34.2
102.02769	1.1
111.00883	1.1
113.02444	15.2
115.04011	1.1
116.92824	1.5
119.03476	8.3
125.02432	3.9
131.03500	3.9
131.93428	0.6
143.03481	0.8
149.04550	4.2
159.03001	1.4
161.04539	4.7
179.05626	0.7
191.05667	3.0
229.18057	3.1
233.06689	1.2
319.28040	0.8
330.76007	0.6
390.22086	0.7
391.23413	9.0
444.50150	0.7
521.25946	1.0
522.26575	4.7
523.27515	100.0
524.27783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02967	1.1
55.01891	7.0
57.03457	6.9
58.00602	1.4
59.01385	100.0
61.98835	39.8
71.01382	62.0
71.01775	1.9
72.99324	1.5
73.02945	22.9
75.00878	1.7
78.10859	1.2
82.16053	1.2
83.01388	10.4
84.52534	1.2
85.02949	28.7
87.00887	6.0
88.98814	2.6
89.02442	36.4
92.10112	2.5
93.03452	6.4
95.01372	2.5
96.96021	5.3
99.00851	9.8
101.02445	50.1
101.03100	2.6
109.02956	1.3
111.00891	3.3
113.02449	23.6
119.03504	7.8
123.08118	1.7
135.04533	5.8
135.97971	1.4
137.02461	1.7
149.04567	5.4
153.01897	1.4
155.10765	2.8
159.02902	2.5
161.02469	7.1
161.04495	5.7
163.71948	1.3
169.14539	1.3
169.79109	1.4
173.04538	1.9
179.03603	1.6
179.05478	1.4
184.81880	1.6
191.05623	8.9
215.00760	1.5
289.23773	2.1
343.19315	2.7
361.20407	3.3
361.29520	9.3
451.29025	8.8
523.27295	11.3
523.34875	98.1
547.27527	2.3
583.25372	3.1
583.33624	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.9
57.03465	1.2
58.00618	0.7
59.01387	50.1
61.98835	9.8
69.03466	0.6
71.01383	43.9
72.01723	0.7
72.99327	2.6
73.02945	13.9
74.48687	0.5
75.00874	1.1
78.91880	0.5
80.91684	16.0
80.92117	0.8
81.03436	0.5
83.01390	5.2
85.02951	15.7
87.00898	2.2
87.34799	0.5
89.02445	40.8
90.68415	0.6
93.03407	0.6
95.01389	2.4
97.02966	1.2
99.00891	11.6
101.02446	30.8
102.02814	0.6
111.00922	0.6
113.02458	14.4
113.09762	0.5
115.04029	2.0
116.92861	0.5
119.03497	8.1
125.02458	2.5
131.03549	3.9
135.04568	0.6
137.02460	0.5
141.46184	0.5
143.03505	1.9
149.04582	5.5
159.02995	0.9
161.02498	0.8
161.04553	5.7
168.99898	0.5
173.04414	0.5
175.03931	0.7
175.46893	0.4
182.40356	0.5
191.05637	5.3
228.99692	0.6
229.18100	2.8
233.06870	0.5
267.85260	0.5
293.08884	0.7
312.91031	0.5
391.23462	11.2
522.26361	2.1
523.27618	100.0
524.28021	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	583.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
55.57049	0.6
57.03466	0.8
58.00586	0.7
59.01386	35.1
61.98824	4.3
64.35144	0.6
69.03440	0.5
71.01385	18.1
72.99298	0.8
73.02944	5.3
81.03451	0.6
83.01389	1.4
85.02944	8.8
87.00874	35.3
89.02428	11.8
93.03453	2.7
95.01386	2.6
95.05047	0.7
97.02960	2.7
99.00887	3.3
99.04522	0.7
101.02441	12.1
111.00882	3.2
113.02447	7.1
119.03486	3.1
123.00837	0.7
123.08159	100.0
125.02401	1.2
129.01939	3.5
135.08134	0.9
137.02420	2.5
138.03146	0.8
157.08780	1.2
159.02957	5.7
159.08133	1.1
161.04585	0.9
161.09726	4.2
177.12857	2.8
179.05688	0.7
191.05679	2.7
203.10860	0.9
210.92348	0.7
221.11873	13.7
229.14499	0.9
285.18512	0.8
319.13995	2.2
325.18350	0.8
327.19843	0.9
343.19284	0.9
360.19446	9.0
361.15784	1.1
361.20206	18.6
363.21826	20.9
375.13431	0.8
433.22314	2.8
505.24182	1.4
523.25580	99.6
524.26099	1.1
583.22595	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	583.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94933	11.3
58.01910	11.7
59.01386	100.0
61.98833	61.0
67.87218	11.6
71.01395	31.4
71.75174	11.6
76.58105	14.0
85.02971	66.3
89.02460	26.1
92.10095	39.6
101.02411	19.1
108.08585	12.5
127.90981	13.6
150.03255	67.8
165.05698	17.7
176.04797	20.2
192.26378	13.4
193.59312	12.8
326.95978	14.0
465.28696	14.6
523.77283	14.5
529.28107	27.6
547.29364	31.1
583.27002	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31533	2.2
57.03419	2.6
59.01384	59.4
60.55052	2.5
61.98843	28.9
71.01376	31.5
73.02953	6.0
83.01378	5.1
84.14937	2.6
85.02970	18.1
89.02462	18.2
92.10822	5.5
101.02428	24.3
101.59612	3.5
103.56334	2.6
104.80029	2.9
113.02459	6.9
151.04073	2.8
161.04550	2.6
175.07721	2.6
191.05685	4.1
271.09610	4.4
284.84229	2.9
287.22339	3.9
523.27954	8.2
523.34827	19.7
583.26892	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	583.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02503	0.4
54.02777	0.4
54.42545	0.3
54.45319	0.4
55.01886	0.6
55.16093	0.4
55.62524	0.4
57.03455	1.0
58.00608	0.5
59.01390	100.0
61.98844	6.9
69.03464	0.7
71.01392	20.9
72.99319	1.0
73.02950	3.2
75.00871	0.7
78.95923	1.1
79.72610	0.4
83.01424	1.1
85.02968	8.1
87.00903	2.6
87.04511	0.6
88.98829	0.6
89.02454	21.6
92.10135	1.8
95.01396	1.1
96.96004	0.5
96.96970	0.8
99.00890	2.3
101.02448	12.0
109.06583	0.9
113.02457	8.9
119.03508	6.1
131.03519	1.7
135.04532	1.0
143.03535	0.9
148.01949	0.5
149.04590	1.2
159.03026	0.6
161.02422	0.9
161.04579	3.7
175.04027	0.5
179.03555	0.4
179.05618	5.2
187.54715	0.5
191.05568	3.5
209.11827	0.8
218.09836	0.5
281.72031	0.6
315.91324	0.5
333.17429	1.0
343.19168	2.1
361.20142	2.9
371.17081	7.7
399.16895	0.9
409.75696	0.5
505.24579	3.4
523.25830	29.4
583.27216	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	583.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.19180	0.1
64.00139	0.1
65.15189	0.1
78.95908	7.2
79.03983	0.1
79.95734	1.6
92.10220	0.2
96.96016	100.0
96.96920	9.9
108.02201	0.7
109.03043	0.2
152.01205	0.4
223.06595	0.2
315.07312	0.3
316.07718	0.5
438.78262	0.2
493.76205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96485	1.5
55.01902	2.8
57.03466	2.1
58.00607	1.3
59.01393	96.4
61.98587	1.6
61.98849	15.9
71.01389	54.6
72.99339	2.4
73.02949	22.9
73.31393	1.4
83.01454	1.9
85.02969	13.7
87.00903	3.2
88.98830	2.6
89.02454	100.0
93.03473	2.4
96.96027	9.7
97.02975	1.6
99.00887	28.0
101.02443	42.4
106.03004	1.5
113.02483	12.7
116.92870	9.3
119.03510	3.6
125.02444	6.1
129.12885	1.5
131.03490	10.5
134.03696	1.6
135.04517	2.0
143.03539	2.9
149.04579	43.0
151.59758	1.7
160.01688	1.9
161.04565	3.5
168.62241	1.8
173.04596	1.9
175.03944	2.0
191.05687	19.7
203.23523	1.8
221.06648	7.9
227.33743	1.5
233.76266	1.5
238.06151	1.6
241.04932	1.6
250.57529	1.5
259.29742	1.7
266.05835	3.1
278.05832	14.9
293.08481	2.1
306.05365	11.4
307.06100	7.4
311.09747	1.7
320.06833	2.5
321.07730	36.5
322.05072	1.9
322.08389	9.7
336.10037	12.6
337.07214	21.0
337.10736	2.5
343.19290	2.3
352.09695	3.4
361.29507	2.4
367.11908	67.6
523.27057	11.4
523.35016	18.9
565.53729	1.7
583.21716	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	582.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82490	0.2
55.01881	0.2
57.03448	0.2
59.01384	4.8
60.01698	0.2
61.98833	100.0
66.62652	0.2
71.01379	2.9
71.97051	0.2
72.01707	0.2
72.99290	0.2
73.02948	1.0
85.02948	1.0
86.03256	0.2
89.02446	3.1
90.02796	0.2
99.00884	0.6
101.02425	2.0
102.02792	0.4
113.02455	1.2
116.92842	0.8
117.92850	0.2
118.99982	0.2
119.03463	0.4
129.44952	0.2
134.03737	0.2
149.04417	0.2
150.03229	0.4
150.15379	0.2
161.04489	0.3
165.02036	0.2
165.05602	0.4
166.05914	0.2
191.05569	1.1
213.38248	0.2
420.14188	0.2
521.26086	1.5
522.26276	3.6
523.24994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18881	0.2
59.01392	2.9
61.98838	100.0
71.01389	2.6
72.01706	0.2
73.02954	1.1
83.01392	0.3
85.02958	0.9
87.76447	0.2
89.02457	2.2
91.32871	0.2
92.56311	0.2
93.03423	0.2
99.00879	0.3
101.02429	1.8
113.02449	1.0
119.03504	0.2
134.03757	1.8
135.04144	0.3
137.02460	0.2
149.02449	0.3
149.04594	0.3
150.03195	1.1
151.03630	0.3
153.04410	0.2
160.01680	0.3
165.05574	0.8
166.05817	0.2
173.04562	0.2
175.03949	1.0
175.45740	0.2
191.05644	1.0
193.05080	0.8
195.06502	0.4
198.13345	0.2
208.18105	0.3
223.06122	0.2
224.06421	0.3
232.90712	0.2
260.97961	0.2
265.07144	0.3
269.02969	0.2
419.13571	0.3
420.14206	0.5
521.25305	1.4
522.26440	4.4
583.23767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03456	1.6
59.01387	16.6
60.01717	0.8
61.98836	100.0
71.01382	16.7
72.01722	1.5
72.11052	0.3
72.99298	1.2
73.02943	4.6
74.03305	0.6
75.81375	0.4
78.74079	0.4
78.82993	0.3
82.40289	0.4
83.01390	2.6
85.02966	5.2
86.03287	1.5
87.00871	1.7
89.02440	9.0
90.02715	0.4
93.03462	0.6
95.01383	1.5
97.02964	0.8
99.00891	4.4
101.02451	13.2
102.02772	1.6
113.02449	5.3
114.02757	1.4
115.04018	0.5
119.03506	2.1
125.02444	0.8
125.09669	0.4
131.03557	0.7
149.04547	0.5
155.10791	0.4
161.04584	2.6
162.04871	0.6
175.03802	0.5
191.03787	0.4
191.05585	1.4
197.14539	0.4
336.04346	0.4
389.21497	1.3
390.22083	2.3
520.24609	0.5
521.26105	8.5
522.26398	32.2
523.26752	0.6
582.22687	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	582.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44424	0.2
59.01384	3.9
60.01726	0.4
61.98833	100.0
63.28832	0.2
71.01392	2.5
71.66816	0.2
72.01722	0.3
72.99312	0.3
73.02956	0.6
81.48608	0.2
85.02930	0.4
89.02441	4.8
90.02761	0.4
91.02874	0.5
92.58088	0.3
96.96007	0.4
99.00890	1.4
101.02438	1.2
116.92839	0.3
119.05095	0.2
131.03510	0.3
149.04578	1.7
150.04848	0.4
151.05058	0.3
168.61577	0.3
173.53392	0.3
191.05615	1.4
206.77383	0.3
241.63300	0.3
520.24695	0.4
522.25708	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	582.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11765	0.2
56.33090	0.3
59.01388	5.4
60.65490	0.3
61.98839	100.0
64.34570	0.3
66.29665	0.2
71.01390	3.5
72.74282	0.3
73.02953	0.7
75.00887	0.4
83.01399	0.3
85.02950	0.7
87.00867	0.5
89.02459	3.5
90.02761	0.4
93.03458	0.7
96.96008	0.4
99.00893	1.2
101.02438	2.5
113.02438	0.7
116.92890	3.6
117.92881	0.7
119.03521	0.4
120.99711	0.3
121.02990	0.3
132.02142	0.4
134.03741	0.4
135.04477	0.4
137.02420	1.7
149.02449	0.3
149.04530	0.4
155.10814	0.6
160.01691	2.7
161.04666	0.3
164.04771	0.3
165.01923	1.9
175.03989	1.8
176.04321	1.4
179.03445	0.3
180.04201	1.1
181.04704	0.3
191.05656	2.5
194.05446	0.4
195.06584	2.1
196.07024	1.4
199.09821	0.5
199.35600	0.3
214.12050	0.3
243.06433	0.3
285.56549	0.3
337.09158	0.5
338.09653	1.3
521.25421	1.1
522.26306	3.2
582.23712	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	582.241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42688	0.3
51.88049	0.4
59.01382	2.8
61.98836	100.0
62.73143	0.4
71.01370	1.6
72.99311	0.4
73.02940	0.5
78.79376	0.4
84.78474	0.4
88.99164	0.4
89.02439	3.0
91.52718	0.4
101.02520	0.4
184.42113	0.5
191.05658	0.4
230.86189	0.4
326.41885	0.4
522.25507	3.2
596.14624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72168	1.0
51.85312	0.8
52.43686	0.9
55.84108	1.0
57.18026	1.1
63.47241	1.0
64.34789	1.0
67.45995	0.9
67.46362	1.0
71.01392	7.9
73.02953	1.3
78.98579	5.4
79.95747	12.3
80.96514	83.1
85.02959	2.8
87.00914	1.1
94.98085	18.2
101.02454	2.3
106.98106	2.0
107.71161	1.1
122.97597	2.9
125.02447	4.9
125.37025	1.2
134.97592	5.6
148.99174	5.4
152.98647	7.8
153.65509	1.4
163.09698	1.4
164.98636	14.5
182.99808	1.4
206.99779	2.1
225.00764	21.0
243.01752	1.4
281.24905	6.8
299.04395	4.4
376.99399	1.3
411.83142	1.3
581.30145	100.0
582.29932	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	581.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02752	1.2
55.01879	7.1
57.03450	5.8
59.01390	65.2
61.98839	23.6
69.03455	2.1
71.01383	61.2
72.99292	5.3
73.02942	23.4
75.00884	2.5
76.94237	1.4
79.97191	1.8
83.01386	16.4
85.02959	33.8
85.11496	1.4
85.40178	1.6
86.00076	1.3
87.00867	7.5
88.98792	2.6
89.02449	31.1
93.03455	2.2
95.01362	2.2
96.96003	5.7
99.00888	10.8
101.01796	2.2
101.02448	57.3
109.02893	1.7
111.00876	6.2
113.02461	22.7
115.03959	2.7
116.92857	2.3
117.05508	1.5
118.54240	1.3
119.03510	7.2
125.02427	5.8
129.01875	1.8
131.03477	5.1
135.04494	2.7
143.03543	1.9
159.02997	1.8
160.01648	6.2
161.02406	3.1
161.04515	7.6
173.04593	1.5
175.03926	2.8
191.05582	10.2
287.22357	3.0
323.62872	1.4
359.19699	1.6
389.21951	2.2
447.25760	1.8
449.27637	22.5
521.25482	22.0
521.33234	8.6
545.26300	1.9
581.24292	5.6
581.31744	100.0
582.30542	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	581.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	3.2
55.69649	0.6
57.03458	1.5
58.00608	1.2
58.79288	0.8
59.01393	74.4
61.98846	1.7
64.93439	0.7
69.03468	1.4
71.01395	53.7
72.99315	4.1
73.02962	18.8
75.00908	1.1
78.95923	1.8
83.01412	3.8
85.02963	16.6
87.00883	1.3
89.02454	70.9
92.10858	1.0
93.03472	1.8
95.01384	1.8
96.96024	1.4
96.96966	0.8
97.02962	2.0
99.00887	23.0
101.02458	35.7
109.02982	3.3
110.11376	0.8
111.08177	4.1
113.02454	12.9
116.92851	1.1
119.03501	6.0
125.02463	5.2
128.90182	14.0
129.01935	3.2
129.05615	1.3
131.03476	6.9
134.03778	1.9
135.04533	1.5
141.09242	1.1
141.66615	0.8
143.03499	1.6
149.02544	1.2
149.04585	14.0
150.03226	5.4
150.52252	0.8
152.62720	1.0
153.09221	4.9
155.10724	1.2
159.03004	1.1
159.04507	1.1
161.04623	5.8
165.05612	4.4
174.79861	0.8
175.04002	1.3
191.05615	12.1
195.06659	3.1
196.84178	0.8
209.15564	2.0
223.06113	3.5
233.06718	1.1
241.05074	1.6
265.07138	1.3
281.08545	1.1
311.09311	3.6
313.10944	1.2
326.11850	1.3
329.10504	1.1
341.13992	1.6
344.12726	8.0
359.15057	14.3
359.18713	1.1
389.21875	3.9
392.03210	0.8
419.13412	1.8
503.25208	0.9
520.24945	1.4
521.20087	24.8
521.26117	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	581.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
58.00603	1.0
59.01390	66.4
61.98836	6.1
69.03454	0.7
71.01388	44.6
72.55405	0.5
72.99297	3.0
73.02954	20.0
74.33167	0.5
85.02953	5.0
87.00899	0.7
88.98811	2.1
89.02448	100.0
90.59289	0.5
93.03463	0.9
96.96013	6.2
97.02943	0.6
99.00887	33.8
101.02449	31.0
113.02451	6.1
119.03471	2.1
125.02444	4.9
131.03517	11.6
135.04434	0.5
137.02472	1.1
143.03500	1.9
147.74440	0.5
149.04579	50.1
150.03192	0.5
161.04596	3.7
179.03412	0.7
190.37968	0.5
191.03949	0.8
191.05635	17.4
221.05009	0.5
221.06735	6.8
222.61479	0.5
251.07802	8.1
293.08829	3.1
311.09875	6.5
336.80862	0.6
353.87875	0.7
496.88733	0.7
521.26263	9.5
548.59174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82753	0.9
55.01902	2.2
58.00599	0.9
59.01390	70.9
69.03490	1.2
71.01386	58.2
72.99316	1.7
73.02954	21.5
83.01418	4.7
85.02960	13.4
87.00895	4.0
89.02449	87.1
92.10795	1.6
96.96014	15.0
97.02990	2.4
99.00883	29.6
101.02451	45.4
111.75831	0.9
113.02456	12.1
116.92829	7.4
119.03510	5.1
121.02938	1.7
125.02460	5.6
131.03491	11.9
131.19890	1.0
133.43437	1.0
135.04538	7.2
143.03601	1.4
145.55006	1.1
149.04578	32.5
149.05672	1.8
150.58363	1.2
152.17314	0.9
154.13405	0.9
161.04597	8.8
168.07846	1.0
173.04625	1.2
191.05640	16.6
221.06717	4.3
251.07712	6.9
284.73123	1.3
311.09924	2.0
336.79266	0.9
389.21918	4.5
423.25696	1.0
521.19373	4.0
521.26141	100.0
522.26819	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	581.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11974	1.5
55.01898	4.3
57.03465	2.4
58.00612	3.0
59.01389	91.5
59.63637	1.6
59.78728	1.7
61.98830	22.3
71.01387	57.6
72.99332	3.1
73.02950	18.6
74.03677	1.8
75.00909	9.0
78.59220	1.7
79.50659	2.0
79.56356	1.6
80.82764	1.8
83.01389	14.9
83.77063	1.8
85.02951	23.1
87.00908	7.9
89.02452	39.6
92.10107	3.7
93.03492	2.5
95.01469	1.8
97.03014	2.2
99.00896	16.4
101.02443	41.2
101.02993	2.2
113.02451	21.3
115.04032	3.3
116.92921	2.8
118.52934	1.9
119.03562	8.1
121.02971	33.1
123.00917	14.6
124.01700	3.2
125.02465	2.8
131.03490	2.1
132.02180	3.0
134.03775	10.1
137.02470	6.9
138.03230	31.4
139.04039	4.6
153.05583	14.3
154.49083	1.9
155.10854	7.5
157.35793	1.9
160.01688	29.3
161.04591	4.0
165.01935	37.2
175.04066	21.4
180.04298	17.7
181.05099	2.4
187.04034	3.9
191.05675	3.2
193.05136	12.7
195.06694	20.4
202.06352	2.1
203.07300	3.0
221.08235	2.3
233.08333	7.6
313.07318	2.9
327.08899	7.9
330.89764	2.1
337.09354	18.7
340.09619	3.4
341.10526	2.9
344.09039	2.5
355.12131	4.0
358.10693	13.8
359.11496	14.8
359.15430	3.5
371.11581	12.1
373.13068	26.6
386.14044	2.5
389.12921	4.1
389.22037	3.3
404.15170	8.8
405.15402	2.5
419.17178	42.6
521.19720	4.8
521.26306	56.4
566.19855	4.6
581.22662	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	581.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25280	0.5
55.01880	2.5
57.03458	2.9
58.00613	0.9
58.94374	0.5
59.01385	62.6
60.01708	0.8
61.98832	4.3
66.15461	0.5
68.90041	0.7
69.03452	0.8
71.01379	44.0
72.99316	2.9
73.02948	13.9
83.01379	4.7
85.02955	12.5
87.00891	3.4
89.02444	47.6
95.01411	1.5
97.02939	2.4
99.00879	21.9
101.02442	32.2
109.73895	0.7
113.02460	15.5
119.03500	10.3
125.02456	3.3
131.03519	5.0
135.04549	1.0
143.03548	0.9
149.04576	5.7
151.00395	1.0
161.02641	0.7
161.04552	3.9
166.02695	4.7
167.03061	0.9
173.04524	1.2
175.03816	0.7
176.31851	0.7
179.05579	1.2
181.05061	2.7
182.05351	0.7
183.05521	0.7
191.05661	8.9
196.74699	0.7
227.16515	3.4
233.06862	1.3
269.17584	3.8
389.21814	4.1
401.21857	8.5
417.15710	0.9
419.16296	2.8
483.12827	0.7
503.24365	1.4
521.26117	100.0
522.26465	1.2
545.25720	0.7
581.34937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.2
59.01384	77.3
61.98837	24.7
71.01395	51.6
72.99281	10.3
73.02959	13.7
83.05049	10.1
85.02983	15.2
85.30743	11.0
89.02464	16.5
101.02477	16.8
107.43320	10.0
109.02965	16.6
127.04037	18.4
144.88901	10.8
145.05121	100.0
150.74696	10.0
153.33557	11.8
165.48001	11.9
232.45932	12.7
260.70465	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	581.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58791	0.8
55.01904	2.3
58.00608	1.7
59.01382	100.0
67.34304	0.9
71.01376	44.8
72.99310	2.3
73.02956	2.3
78.79712	1.1
83.01398	1.9
85.02944	10.7
87.00882	1.7
89.02440	54.4
91.46025	1.1
95.01387	2.5
99.00872	1.4
101.02442	26.8
113.02473	17.0
119.03499	20.8
125.04583	1.3
137.02518	2.0
138.03198	2.2
139.03877	1.2
143.03535	2.0
149.04587	2.0
151.04031	4.7
159.04453	1.1
161.04597	4.2
175.03967	6.2
177.05600	2.1
179.05659	6.8
180.38762	1.1
187.03964	7.8
188.04697	1.5
189.05548	2.4
190.06369	1.9
191.05588	1.3
191.07158	1.3
202.06462	1.8
205.05028	8.2
205.08832	1.7
208.07408	1.3
220.07416	5.8
235.09792	4.1
291.09003	1.1
341.10373	8.7
356.12704	1.8
359.20898	2.1
371.15256	1.5
401.16083	35.9
439.06265	1.2
491.25070	10.8
496.75287	1.1
509.57675	1.3
521.01794	1.2
521.26251	7.8
581.22192	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	581.2251
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
51.43090	1.3
55.01914	3.7
57.03458	3.6
58.00625	1.9
59.01395	78.5
61.98845	20.1
68.80753	1.5
70.16261	1.7
71.01391	46.5
73.02956	9.8
75.07264	1.8
77.39680	1.5
77.76882	1.6
78.95943	1.5
83.01408	7.3
85.02941	18.4
89.02450	31.8
93.75168	1.7
95.01402	2.7
96.96948	1.8
99.00893	10.5
101.02451	30.0
113.02448	13.6
119.03497	9.3
123.00916	9.0
124.01672	4.3
125.02393	2.2
138.03247	29.9
146.25194	1.8
149.04578	2.8
150.03270	2.3
153.05569	18.3
161.04539	1.8
165.05655	1.8
175.07626	2.2
187.04007	3.8
202.06435	4.0
203.07167	6.6
221.08376	2.2
227.16605	2.2
231.50166	2.0
233.08188	8.6
241.46846	2.1
313.07196	3.5
327.08698	3.5
329.14035	6.3
343.12314	2.1
344.09152	2.4
355.12213	3.1
358.10638	7.7
359.11252	17.9
359.15198	2.0
371.11536	12.5
373.13037	20.8
377.19904	2.4
386.13751	7.0
389.12329	6.8
404.14828	10.9
405.15656	3.2
419.17288	23.9
519.24585	2.3
520.25323	11.8
521.25574	44.1
566.20581	2.8
581.13312	3.7
581.22522	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	581.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55315	0.9
54.82623	1.1
55.01885	4.7
57.03471	5.3
58.00608	1.2
59.01389	62.8
59.75863	1.0
61.98840	31.2
65.49342	1.1
71.01392	58.0
71.01776	1.9
72.99336	1.6
73.02951	19.3
75.00896	5.2
75.41891	1.3
80.38056	1.1
81.03501	1.6
83.01391	9.7
85.02958	26.3
87.00877	2.4
89.02452	42.1
93.03464	8.3
95.01432	2.0
96.96016	2.4
97.02968	5.1
99.00884	16.0
99.04556	1.3
101.02449	38.2
111.00881	2.0
113.02462	16.7
116.92870	11.0
119.03518	2.3
121.02972	18.6
123.00869	1.3
125.02468	4.9
131.03593	1.7
132.02190	15.2
133.02930	2.4
134.03757	29.1
135.04535	1.9
137.02448	19.2
139.04007	1.8
147.04532	1.4
149.02481	1.6
149.04558	2.5
149.06104	6.6
150.03221	2.9
151.00404	5.6
155.10797	2.7
160.01675	88.0
161.02386	1.5
161.04581	8.6
165.01949	93.3
165.05548	1.7
166.02744	16.2
171.40654	1.2
175.04016	81.5
176.04762	2.3
178.02705	2.2
179.03506	1.4
180.04314	65.3
181.05130	12.4
183.06659	1.2
187.04016	1.9
191.05638	5.5
193.05089	19.2
195.06651	90.0
203.03404	1.2
205.05110	1.6
217.05075	1.5
227.12837	1.3
228.57016	1.2
252.04578	1.2
293.04504	1.4
323.09250	2.5
337.09360	71.8
369.09570	2.2
369.13626	2.1
376.10635	1.3
384.12491	1.6
387.14590	7.1
389.21735	7.1
399.14633	22.9
419.15936	1.5
520.24591	7.7
521.26044	100.0
581.18579	24.0
581.25885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56366	0.8
54.14176	0.6
54.82398	0.9
55.01888	4.1
57.03452	3.4
58.00594	1.1
59.01386	72.4
61.98843	5.3
69.03463	5.4
70.94224	0.9
71.01383	62.0
71.05050	1.6
72.99317	3.4
73.02938	14.3
75.00887	1.8
79.71223	0.8
81.03472	1.5
83.01384	8.1
85.02962	14.5
87.00916	1.5
89.02447	61.7
95.01410	2.1
97.02939	8.1
97.06592	4.8
99.00881	10.3
99.04554	0.8
101.02449	26.7
110.75641	0.8
113.02460	15.4
115.04029	6.6
119.03484	4.5
121.02958	100.0
123.67284	1.0
125.02455	22.6
131.03517	4.7
143.03523	3.7
149.04579	7.7
161.04596	3.4
166.95741	0.9
171.13890	7.6
173.04524	0.9
191.04073	1.0
191.05583	6.1
195.16798	0.9
206.41457	1.0
215.05771	0.9
227.07162	3.8
231.02550	1.0
233.06721	17.8
266.68051	0.9
293.08838	64.1
341.95590	1.0
359.28046	1.7
415.12494	3.6
521.17084	1.6
521.33411	61.2
545.29938	6.7
581.26947	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	580.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	10.6
61.98837	30.1
63.99264	1.2
69.57990	0.5
78.95914	4.1
79.91344	0.6
80.96522	1.0
81.22247	0.7
84.08354	0.7
98.18826	0.6
98.36633	0.6
101.66560	0.6
108.33875	0.6
117.03487	1.3
119.05015	0.9
145.03000	5.7
146.03345	1.4
168.04250	0.9
257.29419	0.7
281.24908	100.0
282.25204	0.9
506.32544	26.5
580.30084	1.4
581.30042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.4
60.39273	1.4
61.43359	1.7
61.98847	8.3
64.34657	1.4
65.07909	1.6
67.70964	1.5
68.41422	1.6
78.50570	1.6
78.95908	16.3
80.96535	4.3
82.10062	1.6
145.02977	2.7
152.99673	3.8
224.07045	3.5
279.78351	1.9
281.24905	100.0
492.26083	2.1
506.32587	51.5
553.28540	2.2
581.30127	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	581.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56366	0.8
54.14176	0.6
54.82398	0.9
55.01888	4.1
57.03452	3.4
58.00594	1.1
59.01386	72.4
61.98843	5.3
69.03463	5.4
70.94224	0.9
71.01383	62.0
71.05050	1.6
72.99317	3.4
73.02938	14.3
75.00887	1.8
79.71223	0.8
81.03472	1.5
83.01384	8.1
85.02962	14.5
87.00916	1.5
89.02447	61.7
95.01410	2.1
97.02939	8.1
97.06592	4.8
99.00881	10.3
99.04554	0.8
101.02449	26.7
110.75641	0.8
113.02460	15.4
115.04029	6.6
119.03484	4.5
121.02958	100.0
123.67284	1.0
125.02455	22.6
131.03517	4.7
143.03523	3.7
149.04579	7.7
161.04596	3.4
166.95741	0.9
171.13890	7.6
173.04524	0.9
191.04073	1.0
191.05583	6.1
195.16798	0.9
206.41457	1.0
215.05771	0.9
227.07162	3.8
231.02550	1.0
233.06721	17.8
266.68051	0.9
293.08838	64.1
341.95590	1.0
359.28046	1.7
415.12494	3.6
521.17084	1.6
521.33411	61.2
545.29938	6.7
581.26947	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	580.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	56.9
60.01720	7.4
60.07274	0.2
61.01810	6.5
61.02094	0.3
61.98837	100.0
62.02172	0.3
73.26636	0.3
74.01308	0.2
93.29682	0.3
123.03061	0.2
208.23787	0.3
247.30104	0.3
283.76553	0.3
315.81238	0.3
358.62421	0.3
519.31732	0.3
520.31903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61895	0.2
53.80558	0.2
55.47658	0.2
59.01386	8.7
60.01729	0.9
61.01818	1.1
61.56627	0.2
61.98836	100.0
71.07079	0.2
72.99311	0.3
89.49001	0.2
91.32974	0.2
102.88040	0.3
109.43971	0.2
133.69327	0.2
137.64578	0.2
400.36612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.9
60.01714	0.7
61.01833	0.5
61.98836	100.0
66.37728	0.3
67.22437	0.3
78.22664	0.3
80.55685	0.3
89.73640	0.3
105.12801	0.4
119.19270	0.3
151.28809	0.4
165.79527	0.3
306.74997	0.4
442.66013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39933	0.3
51.62523	0.3
57.81789	0.4
59.01389	100.0
60.12705	0.3
61.98843	0.9
69.69666	0.4
71.01397	0.9
73.02940	0.8
77.48860	0.4
81.03484	0.6
81.07471	0.3
82.95431	0.7
84.36052	0.4
85.02972	0.9
89.02447	0.5
92.10878	1.0
125.02439	0.4
150.80167	0.4
209.62071	0.4
272.48529	0.4
373.23819	3.7
384.36456	0.5
390.26712	0.4
398.42557	0.4
519.29657	9.4
579.31750	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	580.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.1
59.01387	4.9
60.01720	0.2
61.98838	100.0
68.03689	0.1
69.03442	0.2
71.01387	3.7
71.33325	0.1
72.01743	0.3
73.02969	1.3
75.00889	0.2
83.01424	0.2
85.02950	0.7
89.02449	6.0
90.02789	0.6
97.02956	0.2
98.48975	0.2
99.00886	1.7
100.01192	0.3
101.02470	2.1
101.03059	0.2
102.02801	0.3
113.02462	0.7
125.02442	0.7
131.03514	0.7
132.03821	0.2
141.35695	0.2
149.04587	2.4
150.04921	0.2
161.02563	0.2
161.04535	0.3
170.54066	0.2
178.02705	0.2
191.05603	0.7
251.07768	0.3
293.08850	0.3
294.09012	0.2
295.09393	0.3
321.47388	0.2
383.60928	0.2
465.95529	0.2
519.24402	0.9
520.25525	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	580.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22583	0.2
55.74519	0.2
57.03468	0.2
59.01389	4.3
60.01707	0.2
61.98838	100.0
67.42318	0.2
71.01388	3.7
72.01741	0.4
73.02952	0.9
85.02965	0.5
88.63982	0.2
89.02444	4.8
89.40846	0.2
90.02763	0.4
90.29833	0.2
90.30396	0.2
92.10454	0.8
97.02966	0.2
99.00905	2.0
101.02441	1.5
102.02780	0.3
113.02433	0.3
116.43789	0.2
123.08163	0.4
125.02444	0.2
131.03500	0.4
135.54628	0.2
147.95171	0.2
149.04556	1.2
160.01671	0.2
164.11610	0.2
191.05623	0.5
191.51018	0.2
304.37140	0.2
519.23938	2.2
520.24701	6.4
580.22687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25982	39.7
53.45642	41.6
54.82916	41.2
56.09853	37.9
57.52490	37.8
59.01389	100.0
63.02132	36.6
65.85831	40.5
66.27889	40.5
68.80145	42.5
69.45788	38.9
76.23846	41.9
83.57314	47.1
154.63965	48.3
158.31511	44.6
169.97354	47.0
170.08879	57.4
247.12805	39.9
429.51794	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86443	5.2
54.61221	5.2
55.50060	6.7
57.03449	5.9
60.95758	5.5
85.02962	31.8
92.10802	18.3
96.00924	30.4
99.05678	7.4
102.46818	8.0
111.29001	6.4
121.51265	6.3
141.06694	7.4
145.21931	8.7
189.07085	8.1
204.78423	7.1
215.66524	7.4
265.63483	6.8
304.65762	8.0
356.03745	7.7
500.54468	7.1
533.31335	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	579.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	11.4
61.98840	100.0
72.99309	1.6
85.02972	8.6
92.10148	3.1
102.45225	1.5
106.46832	1.2
107.51363	1.3
121.02872	1.3
122.03769	1.3
157.94717	1.4
163.03786	1.5
226.54088	1.5
290.45087	1.5
348.11334	1.4
361.43436	1.4
371.22305	1.6
501.30042	2.7
515.30206	10.6
519.33093	1.9
520.89618	1.4
533.31256	12.2
562.31488	1.8
566.27191	1.8
579.31421	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	579.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60331	0.8
59.01383	100.0
59.67163	0.8
61.98837	1.1
71.01389	3.8
77.59402	0.8
85.02958	1.5
89.02440	1.0
96.86916	1.0
96.95973	1.6
101.02496	1.1
148.39709	1.0
150.70503	1.0
188.77649	1.0
262.57941	1.0
295.42203	0.9
519.29840	10.1
548.74536	1.5
579.31616	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	579.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39933	0.3
51.62523	0.3
57.81789	0.4
59.01389	100.0
60.12705	0.3
61.98843	0.9
69.69666	0.4
71.01397	0.9
73.02940	0.8
77.48860	0.4
81.03484	0.6
81.07471	0.3
82.95431	0.7
84.36052	0.4
85.02972	0.9
89.02447	0.5
92.10878	1.0
125.02439	0.4
150.80167	0.4
209.62071	0.4
272.48529	0.4
373.23819	3.7
384.36456	0.5
390.26712	0.4
398.42557	0.4
519.29657	9.4
579.31750	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	579.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98837	1.3
71.01380	11.3
78.98602	7.3
79.95748	13.0
80.96514	85.8
82.91628	1.6
83.77924	1.3
85.02950	5.6
87.00892	1.8
94.98090	21.2
95.01431	1.4
101.02471	2.1
106.98056	2.1
122.97591	2.7
125.02404	1.5
134.97581	9.0
148.99150	9.1
152.98650	7.1
164.98613	15.5
171.10423	1.4
225.00804	16.6
299.04330	1.8
579.28497	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	579.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75651	0.4
55.01894	2.6
55.15861	0.4
55.28613	0.3
57.03455	2.4
58.00599	0.9
59.01388	38.6
63.86943	0.4
64.34422	0.4
69.03466	1.1
70.28792	0.4
70.50803	0.4
71.01383	36.3
72.99303	1.9
73.02945	16.1
75.00883	0.6
76.73125	0.4
83.01389	5.8
85.02950	16.7
85.55183	0.5
87.00880	2.2
89.02443	27.8
89.03989	0.5
92.10786	1.5
95.01395	2.9
97.02947	2.7
97.45782	0.4
99.00861	11.3
101.02438	33.4
105.05672	0.4
113.02458	16.0
115.04001	3.0
119.03488	4.5
125.02442	3.6
131.03493	2.7
143.03513	0.9
147.99939	0.5
149.04553	4.6
159.02982	1.0
161.04565	9.3
181.43904	0.4
191.05626	2.1
195.60674	0.6
225.14955	0.5
233.06718	1.0
293.08862	0.7
307.87228	0.5
337.63205	0.4
387.20364	6.8
519.24567	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	579.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10549	0.8
55.01891	3.9
57.03461	5.0
58.00590	1.4
59.01387	100.0
61.69656	0.9
61.98838	9.1
69.03469	1.8
71.01383	56.7
72.06567	1.0
72.72962	1.0
72.99321	2.3
73.02949	21.0
74.83615	1.0
75.00865	25.0
83.01408	5.3
85.02942	14.2
87.00871	8.9
89.02450	74.3
93.03468	1.4
95.01360	1.4
96.96008	5.8
97.02955	2.2
99.00880	24.9
101.02445	32.6
111.00893	1.2
113.02434	13.2
115.04012	1.5
119.03493	5.2
121.02953	1.3
125.02446	7.3
129.01950	1.5
131.03511	6.5
149.02455	4.1
149.04572	25.2
149.05746	1.6
149.06210	1.1
150.03214	8.9
159.41273	1.0
160.00354	1.2
161.04576	5.0
162.05647	1.0
165.05583	11.1
174.78926	1.1
179.05620	1.1
191.01903	1.1
191.05650	15.4
195.06668	1.9
204.69395	1.2
204.73581	1.3
207.13974	1.9
221.06639	1.5
233.06575	1.2
251.07686	1.5
293.08664	4.3
297.07770	2.4
309.07599	5.7
309.10977	1.5
311.09821	1.3
312.10034	2.6
324.10107	2.6
327.12323	11.5
338.08023	1.3
339.12512	13.2
387.20398	1.6
399.14417	4.6
417.15439	1.3
519.25006	58.7
579.17657	5.3
603.79980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74932	0.1
59.01400	1.0
67.01905	0.3
69.03499	0.2
71.01403	0.3
72.99345	0.7
73.02950	0.3
78.86430	0.1
85.02965	7.1
85.03457	0.3
87.00869	1.7
91.11601	0.1
93.03463	2.8
96.96036	0.8
99.04528	0.2
107.05067	0.2
109.02953	0.3
111.04540	0.9
116.92860	0.7
119.05070	1.0
127.04032	2.3
132.79062	0.2
133.02953	0.9
134.12253	0.2
135.04535	1.8
151.04060	0.2
155.30991	0.2
161.01346	0.2
161.02457	1.9
163.04036	0.5
171.03024	0.3
173.04568	1.2
178.36357	0.1
179.03529	1.0
189.07628	0.2
191.05643	100.0
192.05991	0.9
193.05226	0.2
207.02998	0.8
219.57443	0.1
220.27942	0.2
225.04121	1.8
235.54111	0.2
274.65152	0.2
282.25784	0.1
286.81720	0.2
353.08835	8.6
580.00208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2229
Annotation	Pterocellin F
Peak:m/z	Relative Intensity
54.60731	1.8
57.03471	2.3
59.01389	54.2
61.98841	15.8
71.01385	28.8
72.99297	2.6
73.02960	11.8
75.00901	3.4
75.24052	1.9
85.02974	13.5
87.00897	9.5
89.02445	53.7
93.03423	2.7
93.71559	2.0
96.96029	10.3
98.06652	2.1
99.00891	11.6
101.02451	25.4
107.49485	1.9
113.02438	8.5
122.47219	2.2
131.03502	4.5
133.72826	2.0
135.04523	2.8
137.02397	2.4
149.04567	24.7
155.10849	2.2
160.01682	2.8
166.02768	4.0
181.05128	4.0
191.05656	15.2
293.08878	8.6
491.19434	2.3
519.24506	13.1
519.31708	4.1
543.24628	13.3
579.22168	100.0
579.33502	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82695	0.6
55.01898	2.7
57.03474	2.9
58.00604	0.8
59.01388	100.0
61.98849	1.6
71.01385	42.3
72.99329	3.6
73.02947	12.8
75.00871	5.6
83.01411	4.1
85.02950	10.9
87.00875	5.2
89.02448	53.9
93.03504	1.2
95.01396	1.2
96.96035	4.3
97.02962	1.4
99.00887	16.4
101.02439	25.1
111.00918	0.9
113.02463	8.2
114.93469	1.1
116.92899	3.6
119.03500	5.0
121.02961	1.1
125.02447	3.3
131.03513	6.5
135.04578	1.1
137.09685	0.7
143.03569	0.9
149.02591	2.5
149.04568	19.9
150.03230	8.4
161.04585	3.0
163.04013	1.0
165.05598	6.7
175.04036	1.6
191.05576	9.3
193.04893	0.8
195.06662	1.4
221.06705	2.7
222.05377	0.9
233.06680	1.5
251.07594	2.5
253.08873	0.8
267.06644	0.8
269.08279	1.4
281.08371	1.4
281.92361	0.8
293.08749	3.7
297.07761	7.5
308.10605	0.7
309.07785	10.8
309.11148	1.2
312.10156	6.9
323.05670	0.8
323.09106	1.6
324.09958	7.8
327.12460	25.0
339.12421	20.2
387.20422	2.8
399.14453	1.1
519.25049	40.3
531.15466	1.2
579.19910	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	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98003	0.3
53.60179	0.2
56.42831	0.3
59.01387	15.7
61.98845	1.3
74.39659	0.3
78.95900	5.6
93.11419	0.3
116.44719	0.3
116.92857	0.6
120.26220	0.3
127.32490	0.3
152.99596	1.5
168.04285	1.5
224.06926	0.4
242.08063	2.2
263.24551	0.3
279.23318	100.0
280.23660	1.1
504.31036	25.6
548.83942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	95.4
71.01394	7.2
73.02956	2.1
78.44006	1.2
78.95895	1.8
79.95752	1.6
83.01351	1.2
85.02943	1.2
89.02456	6.5
91.10356	1.2
96.96011	100.0
96.96988	7.3
99.00877	1.6
101.02454	5.5
116.92868	6.3
126.46484	1.5
126.90377	1.7
141.01729	29.6
183.78697	1.2
191.05528	2.2
194.45203	1.3
373.15552	1.5
387.11761	2.3
437.16672	28.4
459.14969	2.7
519.16107	7.1
520.73572	1.4
579.25903	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	579.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74268	0.4
59.01409	0.8
67.25763	0.5
71.01393	1.3
73.02979	0.6
74.22230	0.4
82.37843	0.5
85.47848	0.6
89.02496	0.5
97.02967	0.5
106.57800	0.5
109.02989	2.9
114.20615	0.5
114.86572	0.5
121.02932	0.6
123.00877	3.8
124.01681	0.9
125.02452	0.8
135.04582	0.8
137.02455	15.1
139.00490	0.6
149.02440	1.1
149.30765	0.5
151.00392	26.1
151.01558	1.1
151.04054	2.5
152.01199	3.2
152.04811	4.1
161.02487	1.3
164.04698	0.6
165.01935	0.8
166.02736	89.1
167.03522	3.0
175.03952	0.8
177.01959	5.8
178.02663	0.6
179.03540	1.1
181.05101	91.0
184.03828	0.9
190.02713	0.6
191.03473	0.8
192.04317	1.2
193.05060	2.1
195.03038	0.7
205.05171	0.8
207.06688	3.0
219.06673	0.6
359.11526	4.0
387.10959	19.6
402.13254	10.1
417.15671	100.0
418.16013	1.1
519.24646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12549	0.4
58.43550	0.4
59.01380	0.7
60.26666	0.4
61.98835	100.0
69.41081	0.5
71.70158	0.4
75.92831	0.4
92.10072	0.7
93.76608	0.4
95.83278	0.4
100.00092	0.4
117.03500	1.0
118.56462	0.5
119.05056	0.9
145.02995	7.4
241.08899	0.5
280.23694	1.8
281.23929	0.7
282.24380	0.7
291.11743	0.5
442.41882	0.6
473.35394	0.5
555.38312	0.5
579.29797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57740	0.4
59.01385	18.2
61.98837	3.2
63.99249	0.5
65.20470	0.4
78.95899	19.4
80.96526	2.0
84.10164	0.5
91.80514	0.4
152.99615	3.1
159.11475	0.5
159.34071	0.5
168.04250	4.1
224.06973	7.1
226.10643	0.5
242.07971	2.1
279.23322	100.0
441.38126	0.5
504.31055	54.4
579.28510	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.3
60.41672	0.7
61.98834	100.0
62.11696	0.7
63.65284	0.7
70.97104	0.8
88.98827	0.9
98.94988	0.7
164.20894	0.8
334.07855	0.9
486.32886	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	578.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
61.07574	0.2
61.98836	100.0
63.18341	0.1
77.26141	0.1
78.00461	0.1
80.63502	0.2
86.75817	0.1
92.10796	0.2
116.92870	1.0
117.92883	0.2
145.02963	0.2
255.09837	0.2
279.23279	1.2
280.23740	2.3
281.23920	1.2
282.24255	0.9
358.89499	0.2
384.00977	0.2
418.33514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.3
59.45197	0.1
60.01724	2.0
61.01813	1.5
61.98836	100.0
63.96600	0.1
72.81536	0.1
76.88551	0.1
82.16328	0.1
85.02949	0.2
87.68150	0.2
90.64524	0.1
113.37976	0.2
237.20538	0.2
275.18665	0.2
393.96301	0.2
397.20496	0.2
484.26544	0.2
497.29453	0.3
498.29550	1.1
499.29977	2.2
500.30075	3.5
517.30646	0.3
518.31384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38809	0.1
56.36416	0.2
58.31308	0.2
59.01385	13.7
60.01714	1.9
61.01807	1.5
61.98836	100.0
82.67426	0.2
86.27963	0.2
92.97043	0.2
116.32215	0.2
129.41544	0.2
446.63397	0.2
472.66702	0.2
493.28064	0.2
538.51074	0.2
548.30286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03001	0.3
57.26094	0.3
57.87089	0.3
59.01388	57.9
60.01720	6.4
61.01807	4.4
61.98837	100.0
68.03516	0.4
75.46363	0.4
80.46814	0.4
84.43193	0.3
128.87625	0.4
131.90309	0.4
146.56131	0.5
499.29898	0.9
500.30026	2.3
517.30914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08310	0.1
57.21887	0.1
59.01387	23.5
60.01722	3.2
61.01812	2.3
61.98835	100.0
62.02145	0.2
70.50528	0.1
101.55020	0.1
103.35967	0.1
110.32098	0.1
140.52643	0.1
156.94313	0.1
334.74063	0.2
498.29269	0.2
499.29782	0.6
500.30188	0.6
517.30792	0.2
518.31177	0.8
581.90479	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	578.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	29.2
60.01723	2.8
61.01821	1.6
61.98842	100.0
62.02166	0.2
64.43993	0.2
86.79660	0.2
92.66525	0.2
120.55904	0.2
174.29449	0.2
195.92537	0.2
224.34317	0.2
517.31061	0.2
518.31396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75480	0.6
59.01388	12.8
71.01391	1.2
74.99763	0.8
89.02458	1.7
89.77630	0.7
101.02438	2.6
118.44697	0.6
161.04544	0.8
184.01945	0.7
243.26439	0.7
253.09268	7.6
262.56250	0.7
281.24902	100.0
552.66083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01389	11.9
60.99308	0.4
61.98831	3.4
67.01894	4.0
69.03467	0.7
71.01382	9.2
73.02951	2.3
81.03474	1.9
83.01371	0.6
83.05042	0.6
83.79820	0.4
85.02954	5.9
87.00889	1.9
89.02441	7.4
93.03461	24.8
97.02957	0.3
99.00898	2.0
99.04501	0.6
101.02438	4.2
109.02982	0.7
111.00889	1.6
111.04533	6.3
113.02460	2.2
117.03426	0.4
119.03497	1.7
121.18536	0.4
125.02437	0.7
127.04025	2.0
131.03438	0.7
131.58580	0.4
132.02223	1.5
133.02950	17.2
134.03746	1.7
135.04527	77.6
136.04857	0.4
137.02432	6.4
143.03505	0.4
149.04559	2.9
155.03491	5.4
161.02452	47.6
162.02821	2.8
166.76120	0.4
173.04562	100.0
174.04984	0.9
175.03923	0.5
176.04008	0.8
179.03514	70.4
180.03850	0.9
191.05640	45.7
203.03572	2.1
203.16830	0.3
205.49738	0.4
247.55251	0.4
251.07829	0.5
257.05679	2.8
299.05679	0.5
339.12393	0.5
353.08850	66.7
354.09332	2.2
476.75510	0.4
492.57721	0.4
515.12054	18.5
585.69019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04128	0.4
56.45074	0.4
59.01385	100.0
61.98838	0.8
65.57761	0.6
67.57925	0.5
73.44089	0.5
103.78647	0.5
134.21031	0.6
146.39888	0.6
216.79681	0.6
312.86823	0.6
517.31525	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	577.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00579	0.8
59.01385	15.9
71.01400	1.4
81.23147	0.7
83.07495	0.8
87.00868	0.9
89.02439	1.8
101.02425	1.6
111.12427	0.7
115.08190	0.8
116.92834	1.1
253.09358	9.8
281.24887	100.0
494.05612	0.8
503.39047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58660	0.3
54.82705	0.4
59.01389	100.0
61.98846	0.7
64.34533	0.4
71.01390	1.9
73.02946	0.7
78.94476	0.4
85.02962	1.7
89.02457	0.8
89.07351	0.4
92.93003	0.4
96.96001	0.7
101.02450	2.1
105.19530	0.3
123.04493	2.1
136.81195	0.4
226.74495	0.6
328.08075	0.4
341.23080	0.4
371.22232	1.0
517.27985	7.8
518.37128	0.5
524.27423	0.5
577.30731	0.8
587.49573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
67.01916	0.6
83.05043	0.5
85.60779	0.5
101.91013	0.5
114.21353	0.5
265.80316	0.6
267.53372	0.5
403.29678	0.5
435.94403	0.6
517.32080	5.5
582.56879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47106	2.3
53.81095	2.4
54.48304	2.5
56.48934	2.3
56.60351	2.4
56.93486	2.4
59.01385	85.8
60.38793	2.6
61.98840	2.9
62.29806	2.9
71.01402	18.5
73.02964	7.0
83.01430	4.6
83.05080	3.3
85.02959	22.0
89.02457	7.2
96.96017	5.2
98.56085	3.1
101.02463	6.4
105.80460	3.1
111.04577	4.7
113.02489	3.9
135.04573	3.5
161.04659	4.0
206.23679	3.0
210.85268	3.2
321.18756	4.3
457.29901	6.6
483.27628	100.0
501.29303	5.3
513.28607	6.8
517.26300	27.2
531.29181	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	577.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01839	0.6
52.06931	0.5
59.01388	3.1
69.03448	0.8
71.01394	8.7
73.02960	4.0
78.95921	0.9
78.98602	6.0
79.95744	14.7
80.44773	0.5
80.96525	88.0
85.02969	3.5
87.00897	2.3
91.61803	0.5
94.98090	21.1
96.96030	1.0
97.02954	1.4
101.02460	3.9
106.98090	5.2
122.97579	7.2
125.02445	4.8
134.97594	6.4
136.99130	1.3
148.99167	8.0
152.98634	8.4
164.98613	14.2
182.99670	3.0
206.99702	3.8
225.00768	18.0
243.01828	1.3
274.29568	0.6
277.21774	6.1
278.22098	2.5
288.02881	0.6
299.04474	2.4
502.29495	0.8
503.29907	2.4
559.20319	0.7
577.26978	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	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20512	0.6
59.01381	5.1
63.47490	0.7
63.96259	0.9
68.62776	0.7
69.21134	0.8
71.01390	8.0
73.02953	1.5
78.98598	8.3
79.95737	11.7
80.96519	86.8
82.95406	1.8
85.02959	4.4
87.00875	3.7
87.88094	0.7
88.98757	1.2
94.98092	18.2
96.96049	1.2
97.02972	1.3
101.02428	1.1
106.98080	4.1
115.35473	0.9
115.36333	0.8
116.92847	1.8
122.97577	5.3
125.02455	3.7
134.97585	7.0
136.77216	0.9
136.99194	1.4
148.10146	0.9
148.99159	8.2
152.98676	7.3
164.98625	13.7
206.99603	2.0
223.99368	0.9
225.00769	15.6
277.21802	0.9
299.04465	3.5
327.44296	0.8
329.19269	0.8
462.74823	0.9
471.34872	1.1
577.27008	100.0
578.27039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72959	37.5
59.01397	100.0
92.10800	98.6
150.64500	46.5
182.87210	45.7
192.32506	56.5
237.92560	51.9
240.56378	45.9
464.41367	51.1
525.70892	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11638	0.6
55.01901	1.1
57.03457	0.7
58.00626	0.9
59.01391	72.7
69.03480	1.7
71.01395	52.7
72.99327	1.4
73.02954	17.9
75.00893	0.7
83.01415	3.1
84.68933	0.6
85.02974	8.5
87.00900	1.8
89.02457	100.0
91.72045	0.9
91.77486	0.8
95.01396	0.9
97.02979	4.3
99.00889	30.5
99.01524	1.1
99.04546	0.8
101.02451	31.7
101.03093	1.3
113.02449	8.9
115.04010	1.6
119.03552	1.3
121.06628	1.0
125.02445	13.5
125.54420	0.9
131.03505	13.9
136.16309	0.7
143.03560	1.8
143.87065	0.7
147.08211	1.8
149.04582	38.1
149.09741	1.0
160.08961	1.1
161.04573	5.2
163.11299	16.1
175.11298	10.5
177.12801	1.0
187.11325	4.6
190.10013	1.1
191.05623	14.2
205.12375	25.5
221.06699	9.1
226.02531	0.8
233.06726	7.0
251.07742	4.3
283.02823	0.8
293.08859	44.2
311.09912	3.6
353.10965	15.5
499.21902	3.7
517.22485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75748	0.5
55.01901	0.8
57.03473	1.4
58.00624	2.6
59.01396	74.4
68.21780	0.6
69.03487	1.3
71.01392	49.2
72.99332	3.7
73.02957	21.2
75.00884	0.9
83.01420	1.5
85.02969	9.9
87.00900	2.9
89.02451	100.0
93.03438	0.5
95.01406	1.2
97.02987	2.3
99.00887	38.5
101.01786	1.4
101.02450	31.4
113.02464	9.7
115.04015	1.4
119.03472	4.9
125.02449	4.8
131.03508	12.8
137.02512	0.8
149.04572	38.9
161.02539	0.8
161.04530	1.2
165.09230	0.7
176.08430	0.8
181.04993	0.6
187.11336	3.2
190.10069	0.9
191.05641	12.8
205.12373	5.0
221.06752	4.1
233.06654	0.8
251.07739	5.4
271.05753	0.6
293.08902	3.4
311.09851	3.1
351.71854	0.6
385.18951	1.0
517.23029	64.9
518.23358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54634	0.5
59.01103	0.8
59.01389	12.1
61.98846	3.7
71.01385	9.3
72.19128	0.4
72.90952	0.4
73.02949	3.1
73.03326	0.6
77.19309	0.4
83.01414	0.6
85.02950	3.9
89.02450	6.6
93.03446	0.8
95.01394	0.6
96.96014	3.5
99.00877	2.6
101.02431	6.1
113.02449	3.6
117.03503	1.1
119.03510	0.7
119.05006	0.8
125.02542	0.6
135.04550	2.0
137.02403	0.9
145.02966	4.7
149.04524	0.6
160.01704	0.7
161.02483	2.0
161.04543	0.6
162.03201	1.0
175.04002	0.8
177.05603	1.9
179.05588	0.8
191.05566	4.1
206.07251	1.0
207.08185	2.1
210.70709	0.5
223.07672	3.2
223.13425	0.6
233.06212	0.6
234.06853	2.0
235.07687	7.8
237.05579	1.1
250.06384	0.8
251.07196	9.4
257.14209	0.6
261.05597	1.9
262.06265	0.7
263.07239	5.4
264.07867	0.7
266.09399	3.8
271.79630	0.6
278.05832	1.0
279.06668	61.4
290.05917	2.5
291.06702	29.3
292.07455	8.1
293.08466	2.5
294.09103	6.4
294.58090	0.6
305.08270	2.8
306.05527	1.1
306.09015	20.3
307.06198	86.5
307.09546	3.0
321.07739	7.7
322.08511	32.2
337.10889	100.0
338.11258	0.8
398.52975	0.7
517.26434	3.4
531.12244	0.6
577.19397	1.1
577.27966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49943	0.5
58.00605	0.8
59.01393	63.3
59.65372	0.4
69.03477	0.7
70.90008	0.4
71.01388	38.1
72.99325	2.3
73.02946	16.3
83.01395	0.9
83.54874	0.5
85.02959	5.8
87.00835	0.4
89.02446	100.0
92.10084	1.0
97.02919	0.8
99.00880	25.1
101.02438	30.4
113.02471	6.0
119.03490	2.3
125.02393	2.2
131.03494	13.8
134.59364	0.4
143.03482	2.2
149.04561	50.8
153.09230	0.7
161.04515	4.2
191.05626	15.3
221.06682	8.8
221.20064	0.6
251.07732	5.1
251.93810	0.5
275.07684	0.8
281.08627	0.5
293.08774	4.7
311.09937	9.5
339.25116	0.5
368.23999	0.6
517.23285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46567	20.1
53.78279	17.7
56.09643	18.5
59.01399	100.0
61.98841	36.9
66.73315	27.2
82.62951	24.5
101.02452	23.7
135.58150	27.2
196.60616	22.6
268.33575	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	577.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81583	1.5
59.01384	100.0
60.95765	1.8
71.01389	11.1
73.02950	2.1
73.41974	1.9
81.87048	2.0
85.02982	2.6
89.02457	8.8
92.10241	4.1
96.96027	20.8
96.96957	3.6
97.06597	21.8
116.92857	31.5
134.03783	3.6
141.01694	34.3
141.05588	7.2
160.01630	3.5
175.04152	6.0
193.05103	7.9
258.85498	2.0
261.89862	2.1
274.83270	2.1
293.08826	11.7
300.89529	1.9
307.14481	1.9
339.16785	2.2
355.10315	2.8
386.26056	2.1
435.15088	26.9
500.05627	2.2
517.14001	3.5
541.21210	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	576.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78886	0.2
54.82785	0.2
57.03466	0.4
59.01392	38.6
59.88946	0.2
60.01728	4.4
61.01822	2.7
61.98841	100.0
85.02947	2.9
86.03316	0.4
86.81474	0.3
98.63400	0.3
102.86698	0.3
118.07140	0.3
138.14317	0.2
161.06017	0.3
235.78160	0.3
295.60910	0.3
309.34125	0.3
367.98834	0.3
419.18259	0.3
434.06119	0.3
497.28967	0.5
498.29291	0.4
499.28140	0.3
515.29199	1.7
516.29639	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	576.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69181	0.2
59.01385	10.3
60.01717	0.4
61.98834	100.0
62.60008	0.2
63.92406	0.2
77.54195	0.2
92.01312	0.2
92.10139	1.0
94.11818	0.2
120.08121	0.2
121.72774	0.2
121.82322	0.2
122.61596	0.2
125.10377	0.2
125.56651	0.2
225.09235	0.2
240.09843	0.2
286.49088	0.2
318.64105	0.2
497.29019	1.1
498.29645	3.1
516.30035	0.4
527.37714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78954	0.3
51.21853	0.3
59.01416	0.6
61.98842	100.0
68.90231	0.4
71.66529	0.3
73.47363	0.4
92.10062	0.9
162.33539	0.4
181.35684	0.5
198.32219	0.4
277.21539	0.7
278.22049	1.7
279.22372	0.8
283.53824	0.4
420.08429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31900	0.3
56.78838	0.3
60.21156	0.3
61.98841	100.0
75.04465	0.3
104.90563	0.3
122.93843	0.4
150.91789	0.4
222.46196	0.3
248.38559	0.3
277.21762	1.1
278.22104	1.7
279.22391	0.5
297.59583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07865	3.2
59.01392	100.0
61.98844	47.1
77.01096	4.0
85.82410	3.7
100.86494	4.1
101.75433	4.6
120.79432	3.8
204.65198	4.5
204.83418	3.9
314.23676	4.2
465.18140	4.7
467.34967	4.6
498.29370	7.9
533.31427	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	576.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	22.1
60.01727	0.8
61.98838	100.0
71.01401	0.9
80.66380	0.5
80.84749	0.6
84.81078	0.6
87.39557	0.6
114.20981	0.7
131.99428	0.7
150.56091	0.7
181.01793	0.7
278.03677	0.8
307.09177	0.7
448.63416	0.8
497.29224	1.1
498.29376	5.6
516.29492	1.2
547.14954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04241	0.1
54.13425	0.1
56.14861	0.1
57.63951	0.1
59.01104	0.3
59.01387	5.7
60.01722	0.3
61.01815	0.3
61.98837	100.0
64.34742	0.1
65.95637	0.1
72.62370	0.1
77.13114	0.2
83.91029	0.1
85.02950	0.2
111.71780	0.1
112.33843	0.2
176.89383	0.2
183.22874	0.1
224.75267	0.1
243.24411	0.2
266.86853	0.2
352.20184	0.2
385.53635	0.2
498.29370	0.3
515.29694	0.2
516.29596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.8
59.34654	0.2
61.98841	0.6
69.69939	0.2
69.83611	0.3
71.01392	2.3
73.02961	0.4
76.98276	0.3
83.01389	0.4
83.30350	0.3
85.02964	0.5
87.00893	0.3
89.02436	2.4
101.02450	2.3
113.02473	1.4
116.92849	0.3
119.03500	0.5
133.57307	0.3
161.04578	1.4
162.15012	0.3
181.79944	0.3
235.08305	0.7
253.09325	8.5
279.23328	100.0
280.23724	1.4
414.42419	0.3
497.29147	0.5
576.72040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3233
Annotation	Cerberin
Peak:m/z	Relative Intensity
55.23905	0.2
59.01392	100.0
76.37318	0.3
83.05037	0.5
86.11883	0.3
92.10819	0.6
99.31492	0.3
108.39739	0.3
121.02966	0.4
179.64650	0.3
185.43864	0.3
208.06451	0.3
384.95169	0.3
445.34497	0.3
497.29044	1.9
515.29907	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	575.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51197	0.5
59.01384	23.1
65.85659	0.5
66.19482	0.5
70.74355	0.7
71.01392	3.1
73.02962	0.9
89.02462	3.2
92.10651	0.7
101.02434	3.5
113.02428	0.8
114.09560	0.6
114.39755	0.6
121.02960	0.7
126.28381	0.5
162.11411	0.6
218.34563	0.6
253.09293	9.0
263.35077	0.6
279.23318	100.0
359.41672	0.6
447.33499	0.7
460.03574	0.7
497.29337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58455	0.3
51.83658	0.3
52.29284	0.3
54.38402	0.4
59.01384	100.0
61.06370	0.4
61.98825	0.7
87.37895	0.4
99.92605	0.5
116.92865	11.7
129.35321	0.4
225.75635	0.4
365.93414	0.5
497.29401	5.2
549.76636	0.5
575.52344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76651	0.3
53.11088	0.3
54.56770	0.3
59.01385	100.0
61.98837	2.1
65.11803	0.4
83.05027	0.6
111.04493	0.4
116.92808	0.6
125.09720	2.0
155.71227	0.4
170.09616	0.4
187.09648	0.5
202.34442	0.4
244.99126	0.5
250.77432	0.4
261.62103	0.4
281.64117	0.5
497.28912	3.1
515.29858	3.9
575.38092	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	575.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88684	4.2
55.39073	4.6
59.01399	20.6
61.98857	12.9
71.01398	22.0
72.66683	5.3
72.99352	5.2
73.02983	6.8
76.57035	6.1
77.56100	5.5
81.03470	22.8
83.01418	7.1
83.05054	11.0
85.02963	67.5
88.26252	4.9
91.71246	5.2
99.00885	8.3
99.04527	9.4
109.02961	23.7
127.04053	57.3
145.05090	41.1
161.06104	7.7
242.57150	6.0
277.41025	5.5
279.05161	5.6
529.28192	100.0
535.39020	7.0
599.28003	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	575.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75682	0.4
55.99321	0.5
59.01388	100.0
61.42922	0.5
61.62596	0.4
93.94221	0.5
95.14526	0.5
112.14794	0.5
118.56821	0.5
121.02953	0.7
121.69409	0.5
128.92332	0.5
137.88321	0.5
225.09251	2.3
481.26022	2.8
497.29196	44.3
506.95374	0.6
515.30365	7.8
531.29614	1.1
557.30762	0.8
575.32288	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	575.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	9.4
65.07258	1.2
71.01402	2.8
73.39007	1.4
83.68943	1.4
85.02972	2.0
89.02462	5.9
93.03437	11.2
96.96045	7.3
101.02472	2.5
109.03061	1.7
121.02927	12.5
122.03787	12.4
123.00909	6.4
133.02948	3.3
134.03720	2.6
135.04538	8.7
137.02464	2.6
138.64113	1.9
147.04538	2.1
149.02467	58.9
150.03244	100.0
151.00377	36.5
159.81277	1.6
161.02463	3.1
163.04089	2.2
164.04814	28.0
165.01971	9.1
165.05585	76.0
166.02734	71.3
167.03558	9.2
167.10306	1.5
173.04617	2.3
179.03577	2.1
179.07129	11.7
180.04338	14.3
181.05096	77.8
182.05858	3.4
183.87202	1.7
191.05602	15.3
195.06667	32.8
197.08336	2.1
243.02921	7.4
258.05350	3.6
271.02493	3.3
271.06195	6.6
273.07870	2.5
281.04599	3.5
286.04874	2.2
286.08505	3.8
301.07333	53.5
301.10873	10.5
315.08923	2.8
316.09552	30.2
329.10474	3.9
331.11978	61.5
379.13934	8.1
383.07709	5.9
411.88721	1.6
527.19049	13.0
575.21100	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	575.2538
Annotation	O,N-Dimethylapateline
Peak:m/z	Relative Intensity
54.52843	0.3
54.83292	0.2
55.01876	0.4
58.72910	0.2
59.01387	4.9
64.76013	0.2
65.05771	0.3
66.12570	0.3
71.01382	2.6
72.64178	0.3
72.99309	0.6
73.02961	0.7
79.95733	10.1
80.96516	5.6
83.01389	0.6
85.02960	1.3
87.00877	2.3
89.02435	0.7
89.22466	0.3
96.96005	85.2
99.43490	0.4
101.02437	3.9
113.02444	1.3
118.36397	0.3
137.96278	0.5
138.97070	5.7
150.97037	1.7
166.96542	0.7
176.34889	0.3
186.02420	0.3
240.97902	0.6
241.00262	12.2
387.97745	0.4
491.16254	0.3
546.46002	0.3
555.04517	0.3
575.25415	100.0
576.25671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74673	0.2
52.40448	0.2
57.31797	0.2
59.01389	2.7
60.45241	0.2
63.21436	0.2
71.01388	19.4
85.02950	4.4
87.00890	1.3
88.98823	0.2
89.02456	1.6
93.02968	0.2
93.03485	2.0
93.43356	0.3
96.96026	0.9
99.04509	0.2
101.02427	0.8
109.02960	0.3
111.00890	1.6
111.04520	0.8
113.02448	0.4
115.00374	9.1
119.03506	0.3
119.05009	0.3
121.02956	100.0
127.03972	0.9
129.01936	2.2
143.03494	0.2
145.02960	0.5
147.54340	0.2
158.08867	0.2
160.01642	0.2
163.04051	0.4
165.01883	0.3
171.02951	0.2
173.04587	1.2
179.05679	0.3
191.05635	43.3
237.04053	9.3
337.09344	7.5
337.13110	0.4
341.11008	0.4
413.10770	0.4
453.12555	0.5
575.16162	2.2
575.24103	0.3
575.68054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82856	0.6
59.01385	7.3
61.98845	3.2
71.01394	3.1
72.99311	6.8
73.02965	2.5
81.03447	0.7
83.05023	0.8
85.02953	13.9
87.00893	2.7
89.02455	5.7
93.03477	4.2
95.70101	0.6
99.00855	0.7
101.02426	0.7
104.11902	0.7
108.22433	0.6
109.02965	2.5
111.04526	1.1
120.99684	1.5
127.04025	2.7
135.04585	0.9
143.03549	0.8
146.03738	1.3
147.04578	1.3
149.04572	1.0
149.66653	0.6
153.05536	0.9
157.02925	1.2
161.02409	2.5
173.02425	1.3
175.04042	2.4
181.06705	0.9
185.02402	0.8
191.05638	57.4
197.06000	0.8
209.06146	3.2
225.05643	4.2
228.00693	1.0
229.01436	12.1
235.04001	1.0
237.05585	6.4
239.03488	0.8
244.00070	2.7
253.05098	9.9
263.03485	6.0
264.04187	2.1
265.05057	7.5
267.02902	0.8
269.04352	0.8
270.05344	0.8
279.06686	1.0
280.03897	1.3
280.07153	0.8
281.04578	55.2
282.05356	3.1
291.02988	1.3
292.03882	1.3
293.04636	3.8
295.06070	1.4
296.06931	22.3
297.07770	6.6
307.06061	0.8
308.03308	0.8
309.04120	11.5
310.38354	0.6
311.09320	18.6
313.10773	0.8
323.05652	1.3
324.06415	8.1
329.10321	0.7
335.02121	1.0
339.08820	13.6
352.05496	0.8
353.03207	0.9
368.05466	3.3
383.07785	100.0
384.07947	1.1
464.34067	0.7
517.59900	0.7
574.23572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09156	0.5
54.44170	0.4
59.01388	8.1
61.98841	4.4
67.01879	0.5
71.01389	4.2
73.02974	1.0
75.00874	0.7
82.88068	0.4
83.05072	0.6
85.02958	15.1
87.00907	3.1
88.98802	0.5
89.02446	2.1
93.03478	4.3
96.96018	0.9
99.00901	0.9
101.02475	1.2
109.02941	1.8
111.04548	1.2
116.92835	0.7
119.05016	0.6
121.02932	1.0
122.03757	2.3
123.00922	0.7
123.04474	0.5
127.04035	2.7
133.02994	0.7
135.04533	2.1
137.02483	1.3
141.40399	0.5
145.02992	1.2
146.03767	3.0
147.04520	2.9
149.02502	4.4
149.06174	0.9
150.03244	17.1
151.00398	3.6
157.03001	1.2
160.01649	0.7
161.02498	0.7
164.04832	2.4
165.01949	0.8
165.05591	11.1
166.02734	4.5
173.04497	2.2
175.04019	2.7
180.04295	1.1
181.05063	5.0
183.06520	0.6
185.02505	0.5
191.05646	58.6
195.06657	6.0
203.10747	1.0
209.06076	3.1
221.11617	0.6
225.05551	3.4
225.07515	0.7
228.00645	1.2
229.01442	14.5
235.04033	2.5
237.05646	4.6
239.03352	0.6
243.02911	1.0
244.00218	4.5
253.05092	8.9
257.30066	0.6
263.03510	4.6
264.04291	2.6
265.05054	4.7
267.03143	0.6
270.05319	0.7
271.02667	0.8
271.05872	0.7
279.06741	0.8
280.03809	2.4
280.07306	0.8
281.04578	45.6
282.05295	4.9
291.03079	0.9
292.03683	0.9
293.04572	4.1
295.06165	1.2
296.06937	19.0
297.07608	5.5
301.07202	4.6
308.03568	1.0
309.04123	7.9
311.09341	16.5
313.10721	2.5
316.09457	3.1
324.06442	6.5
331.11935	6.5
339.08862	12.4
352.22305	1.2
353.03091	0.9
368.05365	2.9
383.07800	100.0
384.08035	1.1
450.51837	0.6
548.73792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03459	1.1
59.01389	100.0
63.37007	0.5
63.91041	0.6
64.19458	0.6
66.61015	0.6
69.03456	0.8
71.01386	6.5
73.02941	1.2
74.28362	0.6
81.03457	0.8
83.05045	2.8
84.02171	2.4
85.02951	5.5
89.02450	6.4
100.28515	0.6
101.02444	5.0
108.02159	0.7
111.04529	1.4
113.02447	0.9
114.39187	0.6
119.03493	0.6
131.03506	3.8
149.04564	4.9
153.11208	0.7
191.05595	2.4
208.26093	0.6
243.40811	0.7
326.08871	0.7
338.90506	0.7
419.22131	1.0
427.57272	0.7
447.22449	0.7
463.25220	5.2
479.24509	10.9
480.25262	1.1
481.22137	0.7
495.27658	72.1
496.28278	1.0
513.27875	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	573.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03459	1.1
59.01389	100.0
63.37007	0.5
63.91041	0.6
64.19458	0.6
66.61015	0.6
69.03456	0.8
71.01386	6.5
73.02941	1.2
74.28362	0.6
81.03457	0.8
83.05045	2.8
84.02171	2.4
85.02951	5.5
89.02450	6.4
100.28515	0.6
101.02444	5.0
108.02159	0.7
111.04529	1.4
113.02447	0.9
114.39187	0.6
119.03493	0.6
131.03506	3.8
149.04564	4.9
153.11208	0.7
191.05595	2.4
208.26093	0.6
243.40811	0.7
326.08871	0.7
338.90506	0.7
419.22131	1.0
427.57272	0.7
447.22449	0.7
463.25220	5.2
479.24509	10.9
480.25262	1.1
481.22137	0.7
495.27658	72.1
496.28278	1.0
513.27875	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	574.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82661	44.0
55.44273	49.4
56.56797	39.5
61.74310	48.5
63.72446	40.5
66.74791	44.3
92.10828	100.0
100.70332	60.1
111.91448	52.5
188.81969	50.4
198.50424	54.8
209.97823	53.7
408.96893	52.4
590.99261	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43163	0.4
57.87479	0.3
59.01389	8.4
61.98840	3.7
67.01914	0.4
71.01390	4.1
72.99342	0.4
73.02961	0.7
75.00864	0.8
81.74046	0.4
85.02959	13.2
87.00890	2.8
88.98827	0.6
89.02449	3.1
93.03461	6.7
96.96039	0.9
97.06416	0.4
99.00855	0.9
99.04503	0.7
101.02466	2.8
104.03572	0.4
108.54204	0.5
109.02971	2.3
111.04540	1.6
113.02442	0.7
121.02973	2.4
122.03738	2.8
125.02458	0.7
127.04003	3.7
128.39577	0.4
133.02960	0.8
135.04518	2.6
136.01700	0.7
137.02478	1.7
137.07967	0.4
138.03235	0.5
141.61859	0.5
145.02989	0.9
146.03767	1.6
147.04535	2.1
149.02463	5.1
149.04565	0.6
150.03249	18.6
151.00412	3.5
157.02974	1.5
158.03558	0.4
160.01700	0.8
161.02483	1.8
163.04082	0.4
164.04813	2.5
165.01952	2.5
165.05592	14.0
165.06865	0.8
166.02715	5.5
168.04318	0.5
173.02411	0.6
173.04602	2.1
175.04041	2.4
179.03506	0.8
180.04320	2.4
181.05083	5.1
181.06529	0.7
185.02518	0.6
191.05650	62.7
192.05994	0.6
195.06653	7.3
197.06146	1.9
197.08032	0.5
203.10831	0.8
204.79008	0.5
207.04465	0.5
207.50699	0.4
209.06129	2.2
221.11899	0.5
225.05698	5.1
228.00677	1.8
229.01451	14.7
235.04085	2.9
236.04727	0.4
237.05602	4.5
239.03528	0.5
243.03049	0.6
244.00182	4.3
253.05109	10.8
255.03072	1.5
259.02551	0.5
263.03549	5.2
264.04221	3.3
265.05136	6.3
269.04654	0.6
270.05313	1.0
271.02667	0.6
278.06085	0.5
279.06763	1.6
280.03864	1.6
280.07410	0.8
281.04608	49.1
282.05405	5.0
283.05887	0.5
291.03180	0.9
292.03870	1.9
293.04645	3.1
295.06021	1.6
296.03610	0.9
296.06964	24.7
297.07684	7.0
300.02679	0.6
301.03799	1.0
301.07071	6.4
306.05405	0.7
307.05917	0.7
308.03339	0.7
309.04150	9.5
311.09326	20.0
316.09470	3.5
323.05508	1.6
324.06458	7.5
329.10349	0.7
331.11969	6.6
335.17435	0.7
339.08820	12.4
351.21884	0.8
352.22034	2.2
353.03131	0.9
355.08270	0.5
368.05508	2.1
379.13901	0.4
383.07825	100.0
384.08295	0.6
531.15674	0.5
575.21558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2922
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
50.40382	0.7
53.47404	0.6
55.01892	4.7
58.00603	1.3
59.01385	100.0
66.13553	0.8
67.69478	0.9
69.03455	1.1
71.01379	62.3
72.99307	1.9
73.02944	22.8
83.01374	6.0
85.02947	12.0
87.00900	1.0
89.02439	95.8
89.13640	0.8
95.01410	1.4
97.02948	3.7
99.00876	31.6
101.02437	48.0
101.03092	1.6
113.02448	15.6
115.03974	1.3
119.03488	14.0
125.02457	4.4
131.03517	10.6
143.03485	1.9
149.04561	44.0
151.58411	0.9
161.04581	4.4
181.09334	0.8
191.05659	13.5
207.02350	1.0
221.06712	3.3
251.07779	6.1
293.08936	1.2
381.22665	3.3
433.89618	1.0
450.07187	1.0
513.27118	90.4
533.84607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3077
Annotation	(+)-Ganoderic acid K
Peak:m/z	Relative Intensity
57.03442	4.4
59.01386	100.0
63.19159	0.5
84.02195	0.7
85.02952	11.8
117.07162	0.6
161.06068	3.4
175.07674	0.9
200.97107	0.7
250.86578	0.7
305.19241	0.8
309.37085	0.6
351.19757	2.4
513.28668	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	573.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.7
59.01394	100.0
71.01418	0.4
74.38712	0.4
75.19469	0.4
81.92900	0.5
83.05033	0.6
85.02952	4.6
89.02457	0.7
92.65004	0.4
104.68153	0.4
121.02976	0.7
123.04530	0.5
133.06589	0.8
172.50284	0.4
176.04837	0.5
177.05656	0.6
188.24661	0.5
201.96619	0.5
235.41556	0.4
244.75507	0.5
263.10687	0.9
319.16928	0.8
389.22742	0.7
407.88989	0.5
479.24509	8.8
480.25244	8.2
493.25922	2.6
495.27618	44.8
513.28589	15.7
573.30493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89252	0.7
59.01385	100.0
61.98839	5.0
71.01365	0.9
85.02966	1.0
89.02452	1.0
92.10123	3.7
96.96040	1.1
123.96494	0.9
136.71175	0.9
139.69418	0.9
173.04555	0.9
191.05693	1.5
243.45494	1.0
249.09148	1.4
256.87866	1.1
327.30869	0.9
451.28372	1.3
484.27924	2.2
560.25128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.0
61.94022	0.5
61.98837	9.4
65.99833	0.5
68.23677	0.5
71.01393	3.2
73.02972	0.7
79.95734	10.7
80.96528	6.2
81.63905	0.5
83.01401	0.8
85.02967	3.5
87.00888	2.6
89.02449	1.2
93.03446	0.6
96.96013	77.8
101.02442	4.2
102.46746	0.5
113.02450	2.7
121.02981	0.7
123.78452	0.6
137.96272	0.8
138.97089	5.8
149.61563	0.6
150.97081	0.9
161.02454	0.8
166.96518	0.7
191.05585	0.6
240.97937	0.7
241.00270	15.3
388.11557	0.5
513.23657	0.6
573.23846	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	573.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81138	0.5
57.26628	0.5
59.01379	1.5
61.98838	0.8
62.84568	0.5
70.61840	0.5
71.01384	2.9
79.95740	12.6
80.96513	5.4
83.01414	0.9
85.02952	2.3
87.00888	1.5
96.96008	82.9
101.02442	2.3
113.02438	1.1
138.11662	0.7
138.97063	6.6
150.97023	0.6
152.01181	0.8
166.96523	0.9
180.98209	0.6
241.00241	13.7
243.06659	2.9
473.13516	0.7
537.16235	1.1
573.23834	100.0
574.24115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34078	0.3
56.67413	0.3
66.95054	0.3
68.99586	1.3
72.24536	0.3
76.57021	0.3
86.20113	0.3
92.10789	0.6
99.92587	10.7
112.98579	1.6
116.92861	100.0
117.92854	0.5
277.21887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19410	0.3
56.35505	0.3
57.03452	0.4
59.01382	0.7
62.54030	0.3
65.13667	0.4
69.19737	0.3
70.51028	0.4
71.01382	3.0
71.37666	0.4
78.32725	0.4
79.95742	10.9
80.96519	7.7
81.32851	0.5
83.01400	0.6
84.00257	0.3
85.02955	1.8
87.00880	2.4
96.96011	91.9
99.00931	0.7
101.02434	3.5
106.25069	0.4
113.02464	1.6
122.97548	0.5
132.81526	0.4
137.96306	0.7
138.97090	7.0
150.97031	1.3
166.96547	1.5
241.00278	15.4
300.01086	0.4
340.75458	0.4
573.23859	100.0
574.24152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
57.62426	0.4
59.01389	4.0
61.98840	3.9
71.01377	3.3
72.99299	0.5
73.02940	0.5
74.23689	0.4
79.95735	8.9
80.96521	6.3
82.95425	2.1
83.01395	0.5
85.02949	2.6
87.00872	1.9
89.02455	0.9
92.10724	0.6
93.03455	0.6
96.96010	81.7
99.00879	0.6
101.02457	4.4
109.02995	0.5
113.02456	1.9
122.97567	0.5
127.03918	0.4
137.02496	0.5
137.96288	0.7
138.97063	6.2
150.97070	0.6
159.44470	0.4
166.96532	0.4
173.04514	2.2
180.98131	0.6
184.82875	0.4
191.05632	1.8
241.00273	13.5
304.49176	0.4
335.23868	0.4
372.50763	0.4
469.62921	0.5
565.44586	0.5
573.23816	100.0
574.24188	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	572.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73935	10.8
59.01384	14.9
61.98851	100.0
88.44122	11.2
92.10802	31.2
97.67089	12.4
100.25494	11.9
115.01012	12.7
139.24579	12.7
180.78401	12.3
207.18098	13.7
232.04655	13.2
408.47836	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	573.2335
Annotation	Kadsuphilol J
Peak:m/z	Relative Intensity
50.44962	0.8
51.71700	0.8
59.01391	22.3
63.52877	1.0
68.23914	0.9
71.01388	13.6
73.02965	6.5
78.83844	0.9
81.62780	1.1
83.71812	1.1
84.86332	0.9
85.03003	1.1
89.02458	32.4
92.10107	3.2
96.96058	1.5
99.00890	10.6
101.02451	9.0
104.01974	1.1
111.97697	1.0
119.05001	1.8
131.03462	4.3
146.55544	1.1
149.04613	9.4
191.05627	6.9
324.34052	1.1
458.63190	1.1
492.21878	1.0
537.25623	79.1
573.23303	100.0
574.23010	1.2
597.12671	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	571.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40371	0.8
51.45469	0.6
55.01885	7.5
55.97820	0.7
57.19942	0.9
61.98837	4.1
66.06830	0.7
71.01389	1.9
73.02943	10.0
82.95468	0.9
96.96031	1.4
99.00878	82.6
103.24944	0.8
104.54569	0.8
117.01942	18.1
133.58667	0.8
140.21147	0.9
164.89130	0.9
164.90604	0.8
168.25551	0.9
251.37865	0.8
338.71326	0.9
387.08426	1.1
402.28528	0.9
403.19815	1.0
441.33823	84.0
442.34430	1.5
453.34195	1.0
471.34863	100.0
571.35815	3.7
579.07648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	7.0
61.98842	100.0
62.32952	0.4
62.57347	0.4
69.41228	0.4
71.01400	3.1
71.78468	0.4
73.02963	0.8
85.02938	0.6
85.47581	0.4
87.00909	0.8
89.02463	0.9
93.03440	1.6
96.96027	1.0
101.02458	0.9
108.59633	0.5
110.90130	0.5
113.02393	0.4
120.57286	0.4
161.04546	0.5
180.07605	0.5
181.24432	0.4
191.05602	2.8
424.83157	0.6
428.49896	0.5
512.29028	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	572.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	100.0
78.37159	8.7
85.02948	12.4
85.13738	9.0
86.07552	9.3
92.10868	23.6
96.95991	15.3
152.62363	10.0
286.52359	10.9
335.58313	9.5
517.24725	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	571.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42727	0.4
55.01908	0.5
57.03486	0.7
58.00624	0.8
58.10048	0.5
59.01395	100.0
61.98861	2.6
63.67867	0.5
65.89520	0.5
69.03478	0.8
71.01393	6.8
73.02970	3.2
81.03460	5.7
83.01422	2.7
83.05042	4.6
84.47926	0.5
85.02962	11.1
86.00118	1.0
87.00893	1.1
89.02477	2.3
92.10861	0.8
92.65273	0.6
93.03495	3.1
95.01387	0.8
96.96045	3.6
97.02957	0.9
99.00916	2.4
99.04543	4.3
101.02463	2.9
103.04023	1.0
109.02971	5.7
111.04585	0.5
113.02458	0.7
119.03452	0.6
126.03261	0.8
127.04021	11.6
135.04555	0.7
137.02512	0.6
138.36241	0.5
138.94769	0.5
145.05113	2.6
191.05666	4.4
246.05536	0.5
250.61317	0.5
253.05357	0.6
266.05942	0.6
276.92340	0.6
277.45291	0.6
291.23386	0.7
297.22406	0.7
331.22772	0.8
333.24426	1.0
349.23953	8.7
351.25510	10.9
485.29874	0.6
509.31061	2.1
511.33002	74.5
512.32928	0.8
571.21075	4.3
571.71368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
59.01387	100.0
61.98822	4.6
71.01389	11.2
72.99315	0.8
73.02954	3.0
83.01406	0.9
85.02969	6.7
85.18208	0.5
87.00893	2.0
89.02451	11.1
93.03465	2.9
93.53325	0.4
95.01395	0.7
95.85207	0.5
96.96011	1.0
99.00896	0.8
99.94691	0.7
101.02449	9.1
103.04019	0.6
104.83321	0.5
106.02363	0.5
113.02456	3.8
119.03489	3.6
148.41756	0.5
153.05562	0.7
157.02989	0.8
161.04547	0.7
179.05624	0.7
191.05629	10.2
229.01486	6.7
230.01849	0.7
302.15164	0.5
349.23856	4.7
383.07834	1.0
495.46008	0.6
511.29187	58.8
512.29358	1.2
571.20435	7.2
571.70752	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	571.3133
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
55.01888	0.7
57.03450	0.7
58.00599	0.4
59.01385	100.0
61.59927	0.3
61.98827	0.9
71.01384	9.7
71.60085	0.3
73.02945	3.3
73.95360	0.3
75.14354	0.4
83.01405	1.8
85.02950	5.4
87.00862	0.4
89.02457	2.6
92.10765	0.8
92.88245	0.4
93.48523	0.3
94.14105	0.3
95.01432	1.4
99.00885	0.8
101.02445	7.4
104.13289	0.4
113.02449	3.7
119.03493	0.5
122.77397	0.4
133.89301	0.4
141.17506	0.4
146.64391	0.4
159.02959	0.8
161.04588	3.2
164.04895	0.4
165.05518	0.4
191.05690	0.6
219.06654	0.4
249.76843	0.4
258.27057	0.4
349.23938	7.2
350.24283	0.4
373.18643	0.7
508.49234	0.5
511.29196	34.3
512.29468	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	571.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42318	0.3
55.01873	0.6
57.03471	0.6
58.00603	0.7
59.01387	100.0
61.98842	5.1
68.21854	0.4
71.01389	8.6
71.38406	0.5
72.99329	0.5
73.02612	0.4
73.02952	3.7
75.17236	0.4
77.18815	0.4
81.43062	0.4
83.01400	2.4
85.02955	5.7
87.00883	0.7
87.04556	0.4
89.02452	3.0
92.10116	0.4
93.03461	0.8
95.01373	0.6
96.96018	1.5
99.00870	2.1
101.02456	8.9
106.36544	0.4
113.02456	4.4
119.03519	0.6
121.02970	0.8
132.02139	0.4
134.03693	0.9
135.04556	0.9
137.02454	0.7
145.02966	1.5
150.03207	0.7
151.11320	0.4
160.01714	3.2
161.02440	0.5
161.04555	1.9
164.04781	1.9
165.05583	2.0
171.44156	0.4
175.04033	3.3
179.07193	0.6
191.05583	2.7
266.68561	0.4
277.98892	0.4
281.75961	0.4
323.44534	0.4
337.09161	0.4
349.20157	0.7
349.23914	7.8
355.17130	0.4
373.18689	1.7
388.42783	0.5
470.56973	0.4
511.29144	38.7
535.18439	2.1
571.21515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
57.03458	0.7
59.01392	100.0
60.01727	0.5
60.44439	0.4
61.98840	4.2
71.01393	9.4
71.54710	0.4
73.02946	3.4
78.95471	0.4
83.01409	0.7
85.02972	4.3
87.00893	6.8
89.02464	2.8
93.03465	0.6
95.01407	0.5
96.96014	2.8
99.00885	1.0
101.02453	7.1
113.02472	3.9
125.31731	0.5
129.01900	0.6
139.23778	0.5
159.02977	2.1
161.02452	0.5
161.04584	2.6
163.20505	0.5
191.05650	0.9
201.38681	0.4
224.36032	0.6
290.76575	0.4
342.71994	0.4
347.22485	0.5
349.23892	6.8
351.25543	0.5
400.10699	0.4
421.26230	0.6
441.25183	0.8
493.27927	0.8
511.29156	26.9
571.21820	3.0
571.30884	2.0
590.77820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03445	0.7
59.01389	100.0
61.98839	1.6
71.01384	7.6
73.02948	2.4
75.00903	0.3
81.97964	0.3
83.01392	1.2
85.02956	4.5
87.00870	0.4
88.98794	0.5
89.02450	1.6
92.10818	0.6
93.03448	0.5
95.01406	0.5
96.96043	0.4
99.00887	1.8
101.02437	5.9
113.02444	3.1
116.92870	1.6
125.02423	0.4
146.41234	0.3
151.04190	0.3
153.05621	0.4
159.02943	0.5
161.02460	0.5
161.04591	2.7
175.04018	0.4
191.05717	2.5
287.20084	0.7
316.79202	0.3
331.22784	2.6
349.23990	5.1
464.71729	0.3
493.28137	4.3
511.29242	24.7
571.20795	0.5
571.30939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3132
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
51.25113	0.4
55.01893	0.6
57.03446	0.4
59.01387	100.0
60.01731	0.7
61.98851	0.9
71.01383	7.6
72.35942	0.4
73.02946	2.5
83.01414	0.8
85.02946	5.0
87.00875	0.8
89.02451	1.8
92.10781	1.0
96.96045	0.6
99.00858	0.7
101.02448	6.3
113.02458	2.3
122.51075	0.4
159.02979	0.9
161.04643	3.5
168.90941	0.4
349.23834	5.9
511.29230	33.4
512.30048	0.5
571.31830	0.6
589.35852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07101	0.3
59.01387	39.4
60.19206	0.2
62.28853	0.2
66.04210	0.2
66.50102	0.2
71.05032	0.3
80.02695	0.7
81.03471	0.6
83.01394	0.3
83.05025	5.0
84.02173	1.3
85.02946	0.4
92.10113	0.6
93.03443	0.3
95.05054	0.3
96.96049	0.4
109.06597	0.3
118.31364	0.3
122.69648	0.4
125.06101	0.4
129.50603	0.3
135.08180	0.7
163.11311	4.5
165.12894	3.1
171.10292	4.5
191.10785	1.4
205.94148	0.3
209.11864	100.0
210.12198	0.5
227.12927	10.4
247.13351	1.1
265.14413	0.5
380.92419	0.3
449.25131	0.4
475.27133	0.6
493.28107	0.6
511.29364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2897
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
54.02561	0.9
55.48138	1.0
55.59233	0.9
61.56119	0.9
63.25832	0.9
65.20491	1.0
78.95901	67.7
92.10159	1.9
96.96973	20.6
97.06585	0.9
106.37243	1.0
112.80285	0.9
115.92058	1.8
120.45837	1.1
140.09621	1.1
152.99611	58.0
158.64964	1.0
173.51721	1.0
184.32709	1.0
190.53880	1.1
213.94379	1.1
223.00105	1.8
241.01233	34.5
243.60783	1.2
245.98985	1.1
255.23340	96.0
261.47308	1.0
287.22281	1.1
294.22745	1.1
305.92642	1.1
315.04898	9.8
322.52399	1.3
391.22595	4.2
471.34607	1.3
568.35333	1.1
571.28979	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	571.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29884	1.6
52.68706	1.8
56.60976	1.7
56.82424	1.6
62.09894	1.9
67.65741	2.1
78.95908	82.0
84.38654	2.1
92.10043	2.5
96.96960	21.4
99.92587	15.1
115.92078	18.3
116.92845	24.7
119.04955	2.0
152.99608	55.5
157.31631	2.0
221.19107	2.8
241.01205	29.1
255.23323	97.5
315.05014	8.8
469.34341	2.6
473.36279	33.6
571.28723	100.0
571.42389	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	571.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40623	2.4
53.29807	2.7
57.14347	2.4
61.54374	2.7
61.98849	5.1
62.65408	2.8
69.36216	2.7
79.96907	2.9
82.95428	3.4
97.87058	2.8
98.39535	2.7
99.00912	3.3
99.92583	23.0
100.93380	6.9
102.43634	2.6
112.82358	2.7
115.92089	100.0
115.92908	4.3
116.92875	5.5
126.49520	2.6
128.33109	2.6
135.12657	2.7
145.02928	5.6
199.17470	2.7
211.06180	4.0
233.02576	3.1
262.89709	3.0
310.51932	2.9
423.73480	3.2
441.33765	4.7
471.35211	5.5
541.26385	4.4
571.27368	56.0
571.35529	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	570.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73039	0.2
61.74296	0.2
61.98835	100.0
64.34125	0.2
64.52164	0.2
72.65673	0.2
72.83649	0.2
79.11661	0.2
105.93967	0.3
145.02939	0.6
176.85501	0.2
488.34717	1.0
507.29587	0.5
570.35059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23974	0.3
59.01390	6.2
61.98843	0.8
71.01395	5.7
71.57990	0.4
72.99306	0.6
73.02965	0.8
79.95734	26.2
80.38668	0.4
80.96511	8.1
81.05456	0.4
82.12753	0.4
83.01387	0.6
85.02940	3.2
87.00876	2.3
89.02444	2.5
92.10042	0.9
93.03440	3.8
94.03943	0.5
96.96008	86.7
99.00940	0.5
101.02425	5.9
113.02431	2.8
120.98788	0.5
122.97594	0.9
137.02434	2.3
138.97079	6.6
141.49577	0.5
150.97063	1.8
166.96547	1.6
173.04573	1.0
227.85472	0.4
240.97949	0.8
241.00276	16.6
282.82974	0.4
349.23712	0.5
359.60037	0.4
423.22610	0.8
511.28909	3.0
548.93396	0.5
557.13019	0.7
571.22302	100.0
572.22961	2.4
585.27728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52747	0.3
51.66000	0.3
53.71216	0.4
54.83206	0.4
57.42517	0.3
59.01349	1.0
61.98791	2.5
61.99070	0.4
62.62358	0.4
80.91676	3.6
82.95435	0.4
101.23554	0.4
118.98397	0.4
179.82713	0.4
189.01773	0.4
212.56599	0.4
224.31461	0.5
347.10532	0.4
391.30389	0.6
409.31152	2.2
487.34381	100.0
488.34882	2.3
569.34747	48.8
570.35187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08786	2.0
61.98833	35.2
71.01392	34.1
73.76120	2.6
80.91718	2.4
115.00381	77.2
117.03430	3.3
145.02948	5.5
230.41351	2.7
280.63702	2.5
351.69754	2.9
439.31970	19.6
441.34274	3.3
453.33658	21.3
487.34589	20.1
533.31305	14.6
569.26263	3.6
569.34869	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	570.205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62664	0.4
63.73014	0.3
63.85864	0.4
70.03019	0.6
71.01400	0.7
72.99334	1.0
73.02300	0.4
73.02967	1.7
84.04580	0.4
85.02980	0.4
86.67998	0.4
92.10803	0.5
94.06660	0.5
95.05042	3.1
96.96016	4.8
96.96952	0.4
98.02486	5.5
104.03648	0.4
108.04584	2.2
109.03001	0.5
110.02494	10.3
110.06170	0.9
111.04546	1.8
112.04073	2.5
112.07716	2.8
112.12193	0.4
113.06084	0.6
116.92840	0.5
117.01971	1.0
123.03291	0.8
124.04031	1.0
126.05622	0.6
136.04048	3.3
138.05630	8.4
151.13382	0.4
154.05119	12.1
155.03503	2.6
156.06693	8.5
172.06169	1.7
182.04623	14.0
200.05681	100.0
212.70570	0.4
228.98239	0.5
397.08572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46297	0.1
59.01395	1.7
61.98834	100.0
64.34696	0.1
65.50200	0.1
69.19120	0.1
71.01397	0.3
85.02930	0.2
87.00877	0.8
89.02435	0.2
93.03472	0.2
99.01987	0.2
101.02457	0.2
112.09270	0.1
113.02474	0.2
123.08130	0.2
124.08456	0.2
173.34401	0.1
212.14647	0.2
346.20999	0.7
347.21738	0.3
508.26593	0.3
508.86411	0.2
509.26776	1.2
510.26944	1.5
570.19049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82938	2.7
59.01387	52.7
59.98527	3.7
61.98839	61.3
71.05030	3.5
77.29354	3.0
78.95922	13.6
96.96975	28.6
99.00639	17.5
106.35049	2.9
115.00153	16.1
121.59550	2.9
197.01784	3.1
373.27515	32.4
405.31546	3.7
407.33295	97.1
409.34918	4.4
411.32758	8.0
423.32846	7.3
425.34561	7.3
427.36160	5.9
449.30310	5.4
453.34189	5.7
455.27753	26.2
467.31665	18.9
469.33319	74.4
471.34808	61.1
487.34390	20.9
509.32489	3.7
513.32452	5.7
533.32507	3.4
569.26605	5.1
569.34723	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	569.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46733	1.1
55.40174	1.3
59.01389	2.2
61.98836	25.6
63.43805	1.2
71.01388	8.5
80.91698	2.5
82.95413	1.9
86.51175	1.3
96.99297	12.0
115.00372	18.5
387.27109	1.5
411.32443	1.8
423.32684	12.7
441.33841	16.2
469.33316	78.6
471.35046	2.9
487.34488	72.0
503.48608	1.6
569.34698	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	569.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52016	1.1
54.82885	1.3
56.68127	1.5
60.76971	1.4
61.98843	9.8
62.69968	1.7
64.34621	1.2
73.67719	1.7
80.91689	1.7
96.95989	2.3
97.06611	1.6
115.94109	1.4
145.03006	2.2
155.70517	1.4
178.06779	1.5
184.36942	1.8
236.33545	1.5
305.21176	3.3
469.33011	5.4
471.34979	11.2
487.34378	100.0
569.34778	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	569.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
60.09601	0.4
61.98841	29.6
63.99271	4.4
64.27267	0.3
71.01384	8.4
73.02966	0.8
79.68243	0.4
83.01409	0.6
85.02956	3.3
87.00893	0.7
89.02455	8.0
93.03449	0.6
96.96020	0.7
99.00900	0.7
101.02442	4.4
101.35548	0.4
103.59760	0.4
113.02453	2.6
119.03490	2.9
119.26835	0.4
131.18060	0.5
149.04666	0.4
161.04599	2.1
162.03259	0.5
179.05655	2.3
191.05571	1.6
238.24481	0.6
347.22366	0.7
372.58401	0.4
509.26913	5.7
569.30554	0.8
582.24249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81532	0.7
54.82912	0.6
55.73475	0.6
59.01386	100.0
61.98834	8.0
63.99280	0.9
67.01922	0.6
71.01383	10.7
72.99334	1.2
73.02951	1.6
73.95885	0.7
85.02948	6.6
87.00913	0.7
88.98815	0.7
89.02449	8.1
93.03477	1.6
95.01422	0.7
99.00902	1.3
101.02445	5.3
113.02486	3.8
119.03461	1.5
119.05020	1.0
119.61587	0.7
120.08862	0.6
135.04572	1.0
143.03592	0.9
148.79706	0.7
161.02429	0.8
161.04596	1.1
164.04745	1.0
173.04553	1.5
175.04199	0.7
179.05634	1.5
191.05602	11.9
229.01369	0.9
339.08801	1.1
509.27325	7.7
569.18323	0.9
569.29712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98834	22.2
63.99260	4.5
68.45242	0.4
71.01384	7.4
73.02949	1.7
85.02964	2.6
87.00906	0.3
89.02457	5.8
89.37772	0.4
101.02425	4.1
113.02452	2.4
119.03505	1.7
149.16226	0.4
161.04541	1.9
179.05602	2.0
179.88014	0.4
191.05669	0.6
347.22250	1.9
392.26434	0.5
409.49469	0.5
509.27533	9.9
569.29413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62650	0.3
54.82638	0.4
55.01890	1.6
57.03460	1.0
58.00601	0.8
59.01388	92.7
60.91544	0.4
61.98854	4.4
67.05936	0.3
71.01385	22.7
72.99320	2.7
73.02940	3.8
83.01405	1.0
85.02954	9.1
87.00868	1.0
89.02445	22.2
95.01398	1.9
96.96001	0.6
99.00888	1.8
101.02448	18.6
113.02454	10.3
119.03493	8.3
131.03514	0.6
134.85085	0.5
149.04477	0.5
159.02928	0.8
161.04568	2.0
179.05632	1.9
191.05576	1.6
225.03081	0.4
225.05345	0.4
259.17062	0.7
282.67166	0.4
327.19806	6.7
329.21268	1.9
347.22348	13.9
509.27631	100.0
510.27774	3.0
569.20190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15782	15.0
59.01373	18.2
61.98840	100.0
67.72586	15.4
69.40812	15.9
77.43298	14.6
89.12764	15.5
96.96034	18.5
111.04523	22.8
122.55848	16.8
202.09926	17.3
207.24968	16.9
221.04601	19.2
411.22079	20.6
436.46494	19.7
515.30219	20.8
516.19348	19.6
521.62103	19.0
533.31042	65.5
537.31329	20.4
549.89905	17.8
590.07574	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	569.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.56236	0.4
61.82230	0.4
61.98834	11.4
64.99554	0.4
67.39342	0.4
71.01377	7.3
73.02964	0.7
83.01415	0.4
85.02959	2.6
87.00877	0.9
89.02451	5.5
94.57191	0.4
96.95997	0.5
101.02435	4.5
113.02460	2.6
119.03494	3.0
119.05009	0.7
131.03482	0.4
157.58444	0.6
161.04567	1.0
168.16055	0.5
179.05650	1.9
191.05588	0.9
347.22357	3.9
509.27646	24.0
510.54230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82441	14.9
62.15364	17.1
74.64368	22.3
100.41328	23.5
174.61104	21.7
285.53998	23.0
569.28882	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	569.2911
Annotation	CHEBI:69281
Peak:m/z	Relative Intensity
52.93655	19.7
59.01397	92.2
61.98843	39.9
63.38996	18.2
67.19125	15.2
71.01380	23.9
84.42242	18.6
85.20922	19.7
87.78281	20.2
101.02423	21.5
232.99380	23.0
493.11777	23.5
569.28711	100.0
584.33990	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2894
Annotation	CHEBI:69281
Peak:m/z	Relative Intensity
59.00063	9.4
65.50279	10.2
67.42417	10.5
92.10797	25.1
244.68224	13.3
386.54953	15.3
394.10950	13.7
569.29010	100.0
585.01538	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	569.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46570	60.0
54.39122	63.7
56.51466	63.0
95.82446	73.6
96.61845	90.0
103.10536	81.2
114.01150	82.5
170.45273	84.8
260.60004	85.1
262.27603	73.9
372.74689	79.6
408.66449	81.4
421.87872	97.1
439.00803	88.7
599.11121	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	569.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03474	0.4
59.01390	13.3
59.55161	0.5
61.98827	1.0
63.00365	0.5
69.03500	0.7
70.53990	0.6
71.01384	13.8
73.02946	6.3
83.01417	2.6
85.02944	6.5
87.00883	0.9
87.04515	100.0
89.02464	3.7
97.02972	0.8
99.00896	3.8
101.02454	12.6
113.02467	4.6
115.04041	1.0
116.70646	0.5
125.02477	1.2
131.03539	0.8
158.59641	0.5
161.04573	2.2
190.08257	0.7
233.06721	0.7
377.22018	4.1
394.74884	0.6
421.20755	3.7
509.26108	64.7
569.27759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31257	0.6
57.03464	0.9
59.01390	10.8
60.93051	0.6
61.98828	7.0
69.03443	0.7
71.01381	12.2
73.02951	5.5
75.74990	0.7
83.01392	2.5
85.02960	4.3
87.04515	100.0
89.02470	5.1
95.08275	0.6
95.90626	0.7
97.02965	0.9
99.00893	3.1
101.02441	8.5
113.02448	3.8
125.02458	1.1
131.03511	0.9
143.03474	0.7
161.04645	1.1
211.30862	0.7
233.06569	0.9
377.22006	0.9
421.20770	5.6
509.26154	52.0
509.76974	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	569.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52959	1.2
52.93138	1.3
54.82640	1.8
61.98827	14.7
71.59795	1.3
78.95898	10.8
82.95435	1.7
96.96956	15.9
97.06580	1.9
99.92585	20.3
100.93351	14.1
113.92618	2.9
115.03971	1.6
115.92085	100.0
116.92120	1.8
116.92868	9.5
145.02971	2.9
208.81323	1.7
235.20236	1.5
333.26450	2.0
405.31696	3.7
407.33414	2.7
421.31265	9.4
423.32739	2.4
451.32596	3.8
453.33859	24.9
454.34549	1.9
455.34476	1.8
471.34860	47.8
472.35068	2.7
473.36023	2.2
487.34515	38.4
507.26135	3.1
521.23541	2.3
539.25012	2.8
569.25934	60.4
569.34668	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	569.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22881	0.1
51.53288	0.1
59.01387	3.0
59.38469	0.1
61.93903	0.1
66.26607	0.1
71.01381	1.7
73.02940	1.6
77.78738	0.1
83.01395	0.2
85.02975	0.9
89.02435	1.0
96.96033	0.2
99.00881	0.6
99.92588	5.7
101.02445	1.3
105.10575	0.1
113.02461	0.7
114.93427	0.2
116.92866	100.0
117.01949	1.6
117.92860	0.6
119.03357	0.1
119.05015	0.2
125.02448	0.2
158.85458	0.1
168.14420	0.1
191.05730	0.3
193.77130	0.2
196.07346	0.1
215.16704	0.1
232.37936	0.1
246.26929	0.1
377.21945	0.3
509.26056	0.7
520.40057	0.1
523.05511	0.1
569.11725	0.2
569.28461	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	569.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91048	16.2
58.92388	20.3
59.01405	30.8
61.98831	29.9
76.12679	20.9
84.45100	20.9
99.73227	21.0
101.84812	20.8
104.66919	19.4
192.70491	24.3
569.27429	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	569.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91048	16.2
58.92388	20.3
59.01405	30.8
61.98831	29.9
76.12679	20.9
84.45100	20.9
99.73227	21.0
101.84812	20.8
104.66919	19.4
192.70491	24.3
569.27429	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	569.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77515	0.9
59.01386	41.9
59.01652	1.9
63.04087	1.0
67.01927	1.0
69.03477	1.8
71.01399	8.1
73.02966	2.5
75.14600	1.1
81.03478	1.3
83.05049	1.3
85.02944	16.8
89.02451	4.7
93.03490	2.0
95.01412	7.1
96.96034	7.1
99.00957	1.3
99.04523	2.5
99.92620	2.9
101.02432	2.0
109.02984	4.9
111.00893	4.7
113.02472	5.2
116.92860	100.0
116.97258	4.8
119.03465	1.4
127.04032	6.0
133.01465	1.5
137.02498	1.4
137.61600	1.5
139.00392	6.4
145.05084	2.0
155.03514	1.6
156.26109	1.2
178.55769	1.1
179.03574	1.2
191.05600	1.8
199.02473	8.9
234.52090	1.3
244.20592	1.4
295.41815	1.5
305.81021	1.1
334.65173	1.4
345.08374	6.1
350.56964	1.3
387.09387	5.9
405.10413	2.9
465.12219	1.8
499.88788	1.3
551.16315	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	569.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08338	2.0
55.01899	3.5
59.01389	100.0
61.98841	35.4
63.90284	2.1
70.29095	2.1
71.01385	52.2
71.01736	3.4
73.02961	9.1
75.00883	9.3
79.47812	2.1
79.95795	2.4
83.01386	3.5
85.02968	19.8
87.00918	8.6
89.02451	50.9
92.92721	2.4
96.96008	31.2
99.00951	3.1
101.02464	29.4
113.02443	18.4
113.27628	2.7
116.92923	2.5
117.03468	4.3
119.03504	14.1
135.04529	2.8
143.03471	2.7
145.02939	19.4
161.02429	2.7
161.04565	4.9
171.22302	2.5
179.05656	5.1
191.05653	9.9
241.00354	2.9
347.22180	16.8
509.27512	73.9
533.29785	17.4
569.20264	24.6
569.28296	39.9
597.62695	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	569.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04461	1.3
61.98834	1.6
64.34024	1.3
68.99570	2.1
78.34867	1.3
78.95912	1.6
80.54710	1.3
92.10770	1.8
95.97466	1.7
96.96960	2.0
99.92582	11.0
100.93341	11.2
103.10721	1.6
112.98547	2.1
113.35022	1.5
115.92075	100.0
117.27885	1.4
193.47050	1.4
223.57912	1.7
280.11960	1.5
300.29370	1.9
368.06125	1.6
471.34906	19.8
569.25824	49.5
569.34155	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	568.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.6
60.01719	0.4
60.24747	0.2
61.98835	100.0
66.84621	0.2
67.92352	0.2
69.56272	0.3
71.01384	2.7
73.02970	0.6
85.02956	1.4
87.00874	0.3
89.02436	3.0
92.66721	0.3
93.03463	0.5
99.00869	0.3
99.79166	0.2
101.02444	1.8
105.64685	0.3
113.02454	0.4
119.05029	0.6
131.03496	0.3
135.04503	0.3
145.02870	0.3
149.02452	0.5
150.03226	1.0
161.02419	0.3
161.04515	0.3
163.03954	0.3
164.04724	0.3
165.05492	0.3
179.03468	0.4
191.05635	3.7
193.30191	0.3
229.01384	0.4
245.04506	0.3
454.13187	0.3
508.26459	1.4
568.26715	0.5
569.09399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82298	0.5
59.01385	10.6
61.91047	0.4
61.98838	100.0
64.33945	0.4
71.01379	3.9
73.02963	0.7
83.01416	0.6
83.29208	0.4
85.02981	0.7
89.02441	3.5
101.02448	1.0
113.02453	1.1
119.03507	0.7
120.99679	0.5
161.02359	0.6
191.05537	0.7
346.20987	0.8
495.58127	0.5
507.25510	0.6
508.26370	5.6
568.31372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98839	100.0
85.68877	0.8
130.05626	0.6
145.03003	1.0
152.22652	0.5
155.15009	0.5
210.77681	0.6
229.35797	0.5
233.08598	0.5
233.38673	0.5
236.69930	0.6
251.31868	0.5
253.86774	0.5
278.31995	0.6
316.29724	0.6
469.33118	0.7
505.28156	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	568.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98835	100.0
63.87032	0.6
74.32938	0.6
82.71722	0.5
94.99211	0.6
119.05059	0.7
145.02953	0.9
207.47508	0.5
439.32224	1.0
440.32901	1.1
486.33139	3.2
505.28214	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69835	0.5
58.62546	0.5
59.01395	0.9
61.98843	1.0
71.01436	0.5
73.02985	0.6
92.64841	0.5
96.96033	2.6
99.00891	0.7
99.92607	6.1
115.00406	1.1
115.89036	0.5
116.92873	100.0
116.97274	2.8
117.01975	0.6
117.92879	0.8
137.02469	0.5
175.02507	0.8
191.03661	0.5
193.05072	2.1
233.39284	0.6
307.08459	1.0
373.98471	0.5
413.75992	0.7
469.13321	0.8
513.12854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25605	1.9
51.72284	2.5
59.52343	2.1
61.98831	28.9
66.71416	2.3
92.10796	7.0
96.95995	3.4
96.96956	2.9
100.94252	2.7
106.75518	2.5
116.92844	11.6
193.98073	3.2
266.92133	2.7
441.33817	90.6
469.33167	21.7
471.34918	100.0
472.35495	3.7
473.35242	3.6
485.32416	4.6
567.33099	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	567.3676
Annotation	Integracin C
Peak:m/z	Relative Intensity
53.83807	2.1
57.83010	2.3
61.58731	2.1
61.83608	2.1
61.98845	2.9
65.04585	2.4
78.95941	2.6
97.06587	9.0
115.92091	5.5
178.19421	2.6
196.25401	2.3
210.08447	2.4
344.80920	2.8
391.30203	10.7
392.37445	3.1
405.31784	5.3
407.33176	18.1
441.33911	11.5
447.52924	2.7
451.32275	45.9
453.33804	74.9
485.36600	10.1
497.32959	3.3
567.36829	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	567.376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58169	0.7
55.01886	4.1
56.47005	0.8
57.03460	4.1
57.04428	0.8
59.01390	58.1
59.95328	0.8
60.50494	0.8
61.78529	0.8
61.98836	1.0
62.33241	0.8
64.34897	1.2
67.41624	0.9
71.01384	30.4
71.13424	1.0
73.02953	11.4
83.01411	4.5
85.02966	19.3
89.02451	9.8
89.02933	1.1
95.01392	2.4
99.00887	3.8
101.02446	21.3
111.00854	1.2
113.02453	12.8
119.03457	1.3
125.02405	1.0
157.15599	1.0
159.03027	2.0
161.04562	6.1
236.82178	1.1
243.19644	1.0
345.29996	3.9
414.91669	1.0
434.41266	1.1
507.28909	4.0
507.35461	100.0
567.30267	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	568.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
61.98837	100.0
62.55928	0.2
71.01390	1.3
73.02960	0.4
75.00893	0.2
85.02968	0.8
89.02477	0.3
101.02435	0.4
113.02507	0.3
147.30356	0.2
150.82433	0.2
161.04659	0.2
187.35475	0.2
258.43765	0.2
282.72174	0.2
283.54370	0.2
327.19632	0.3
416.90121	0.2
490.25159	0.3
505.15189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13610	0.6
51.45946	0.5
54.10320	0.5
55.01884	2.9
56.45280	0.6
56.94165	0.6
57.03456	3.9
58.21082	0.6
59.01385	51.0
61.98835	17.8
71.01382	19.7
72.99297	0.8
73.02944	5.8
75.00869	1.6
81.58813	0.6
83.01408	2.9
85.02950	11.1
87.00863	1.4
89.02430	9.6
99.00876	3.8
101.02435	14.8
113.02453	8.7
119.03471	1.5
123.08204	0.7
125.02453	0.8
131.03514	0.7
149.02432	0.8
151.81311	0.6
152.48186	0.7
155.10786	0.7
159.02878	0.8
161.04596	4.9
179.05699	0.8
208.03833	0.9
223.06265	1.4
228.06372	0.9
269.15417	1.1
270.16309	2.8
285.18637	4.3
309.18692	1.3
327.19708	100.0
328.20065	1.4
329.21286	1.4
489.25034	70.5
507.27515	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	567.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.82941	0.3
61.84128	0.3
61.98839	0.6
71.01387	0.7
80.26343	0.3
85.02968	0.6
93.03429	0.3
101.02465	0.5
102.47778	0.3
105.45493	0.3
115.73903	0.3
125.34132	0.3
127.38519	0.3
133.71237	0.2
168.44655	0.3
252.68681	0.3
292.27118	0.3
336.82831	0.3
391.15073	0.3
432.42618	0.3
507.28433	0.4
567.25256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3313
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
59.01388	4.2
61.98832	11.9
65.31519	0.9
76.90143	1.0
78.91890	2.2
80.91712	0.9
84.31155	1.1
102.70405	0.9
146.91832	1.0
158.91553	1.0
161.42854	1.2
232.32227	1.1
237.04750	1.1
304.16348	1.0
407.86682	1.2
439.31723	1.4
485.32779	100.0
567.33179	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57597	70.5
72.30702	78.7
153.68359	85.6
182.89238	100.0
215.15567	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82988	20.5
56.02483	18.6
59.01390	100.0
71.01408	41.8
76.32755	21.5
90.06757	19.2
101.02471	29.1
106.44881	23.1
111.68426	20.5
126.31562	24.2
235.16203	21.1
243.08051	46.0
255.38585	20.5
269.89566	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42430	4.8
59.01384	84.8
61.98831	7.8
63.77796	7.0
71.01374	26.1
73.02959	5.7
83.01388	6.1
85.02985	12.4
101.02459	29.8
113.02412	11.8
138.31769	6.6
146.27692	7.1
162.87099	6.3
189.08620	6.1
218.93448	6.6
231.46802	6.3
269.92270	7.2
395.46957	7.4
507.35339	100.0
567.26715	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	4.8
59.01393	34.4
61.98832	44.0
69.01269	4.1
71.01419	5.4
75.22748	4.4
78.36519	4.6
79.07657	4.6
83.05042	21.4
111.04513	8.7
117.55631	4.7
125.84206	4.3
231.36433	5.0
409.43341	5.6
487.30930	39.8
531.29602	100.0
567.27679	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	567.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50303	2.2
54.82561	2.9
55.01898	2.8
57.03459	4.3
59.01398	84.7
61.98852	4.9
62.95304	2.4
71.01400	47.1
73.02961	12.7
75.00915	3.7
83.01418	6.1
85.02952	22.0
89.02438	5.9
99.00879	5.1
101.02455	33.1
111.74921	2.4
113.02463	14.7
116.92867	4.4
119.03542	3.8
144.14102	2.7
204.05220	2.6
213.57823	2.7
215.97459	2.8
310.81720	2.7
397.63712	3.2
435.25897	3.1
468.92923	3.5
477.24744	3.1
507.28391	9.4
507.35367	100.0
531.28778	2.9
538.69580	3.6
567.30908	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	567.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
56.92883	1.0
57.03463	1.1
59.01389	88.3
61.98834	23.5
61.99117	1.2
71.01387	42.7
72.99320	1.9
73.02959	9.2
83.01399	5.1
85.02967	13.9
87.00880	2.2
89.02446	38.7
95.01393	2.3
98.25810	1.0
99.00881	2.4
100.54271	0.9
101.02444	37.2
110.37528	0.9
113.02466	17.0
115.92099	1.1
116.02991	0.9
116.92934	1.1
119.03508	10.1
130.01935	0.9
135.04536	1.7
143.03452	1.3
153.92082	1.1
161.04567	5.6
179.05649	1.7
181.75854	1.0
191.05696	1.8
203.10771	5.3
273.20837	1.0
285.18417	1.3
327.19775	4.9
343.19208	6.3
345.20767	18.4
363.21854	4.2
507.26108	100.0
508.25778	1.5
521.33813	1.4
528.93335	1.3
529.26624	1.6
530.47345	1.1
531.28088	2.4
567.25769	6.1
567.33099	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	567.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25185	2.3
55.79287	1.9
56.82213	2.2
59.01389	100.0
64.34234	2.6
68.99594	9.7
69.03458	3.1
71.01385	63.0
72.99333	3.3
73.60785	2.3
81.03449	3.3
83.01405	5.9
85.02975	16.1
87.00887	5.9
88.29021	2.0
89.02454	57.3
90.35377	2.5
92.10877	2.3
96.96009	32.0
97.02963	11.3
98.95606	4.1
98.96517	2.3
101.02459	37.8
112.98600	4.6
113.02447	22.9
116.92844	3.4
119.03519	24.5
123.04503	2.4
125.02428	25.9
131.03459	3.4
143.03481	4.8
150.03192	3.8
153.01956	16.0
153.05618	4.0
161.04498	3.8
168.04312	22.1
179.05659	24.5
183.06638	44.7
221.06671	10.3
224.10823	2.8
254.28229	2.5
261.00726	2.7
263.07755	4.0
264.15131	2.3
273.49072	2.9
323.09949	55.2
451.56119	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	566.246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05475	0.1
59.01392	0.9
61.98836	100.0
64.34976	0.2
71.01386	0.9
73.02950	0.2
81.95429	0.1
85.02969	0.7
89.02474	0.2
92.10796	0.4
101.02459	0.7
113.02477	0.2
137.43336	0.1
154.57982	0.2
242.08240	3.0
379.67117	0.2
504.25513	0.2
505.25623	0.7
506.25931	1.7
566.18927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30375	0.2
59.01385	1.1
61.98835	100.0
71.01388	1.2
73.02970	0.2
85.02937	0.3
89.02454	0.3
90.57550	0.2
101.02447	0.9
102.02780	0.4
179.91701	0.2
186.71120	0.2
339.37881	0.2
505.25589	1.0
506.25842	2.5
507.21286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16613	0.5
59.01387	11.4
61.98836	2.9
64.85708	0.5
69.14940	0.6
71.01391	10.4
72.99305	0.9
73.02918	2.6
75.00890	0.6
79.26970	0.5
83.01373	0.9
85.02954	3.8
87.00876	1.1
89.02443	7.6
93.03475	0.8
96.96005	5.9
99.00873	1.4
101.02435	4.8
105.03474	0.7
107.05009	1.0
109.02927	1.0
109.28804	0.7
113.02466	4.5
114.93373	1.3
117.03458	0.6
119.03509	0.8
119.04887	0.8
121.02959	15.1
123.04493	0.9
125.78565	0.6
131.56941	0.7
132.02138	1.2
133.02965	37.6
133.03984	1.3
134.03748	4.4
135.04523	44.8
136.01653	1.2
137.02415	4.9
147.04527	1.1
149.02522	1.0
149.04544	1.2
149.06096	1.6
150.03247	0.8
151.03993	2.5
161.02452	100.0
162.92947	0.6
163.04031	1.0
165.01936	32.2
165.04028	1.3
165.05553	0.7
166.02678	3.6
175.04030	1.5
177.01971	0.9
177.05576	3.2
179.03516	21.1
180.04297	18.8
181.05017	4.0
191.03928	0.6
191.05600	5.5
195.06627	20.5
203.03505	0.8
213.05548	2.8
221.04601	3.7
241.05119	15.7
243.98656	0.6
256.07465	10.5
263.05487	1.1
271.09790	16.4
278.06003	0.7
293.08548	0.9
319.11935	1.5
323.07794	34.2
369.13406	3.8
507.20557	1.0
521.26239	1.3
567.17175	43.3
579.57800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.0
61.01810	0.2
61.65826	0.2
61.98837	100.0
67.52295	0.2
70.23901	0.2
71.01380	1.3
72.01735	0.2
73.02937	0.4
85.70718	0.2
89.02435	2.0
90.02780	0.2
93.03429	0.2
99.00905	0.4
101.02428	0.4
149.04568	0.3
150.04872	0.2
165.93872	0.2
170.86220	0.2
191.05606	0.4
238.85303	0.2
305.76959	0.2
517.96759	0.2
531.12561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.4
57.03452	3.7
59.01385	19.3
59.18256	0.7
61.98832	3.1
65.03963	1.7
69.03470	4.2
71.01379	19.7
71.04990	0.9
72.99323	3.4
73.02943	10.0
75.00881	1.4
81.03461	16.0
83.01390	13.2
83.05038	6.7
85.02953	23.8
86.00099	6.7
87.00893	5.2
87.04509	1.3
88.01662	3.5
89.02437	7.6
92.10133	3.5
93.03463	1.5
96.96033	3.6
97.02943	3.2
98.95608	1.3
99.00857	6.4
99.04523	9.2
100.01691	0.9
101.02450	14.2
101.06083	4.6
103.04025	3.1
109.02959	15.9
113.02470	6.0
115.04090	0.7
119.03559	0.8
121.06564	1.2
123.08112	0.9
125.02431	0.9
126.03193	3.3
127.04016	21.7
131.03503	0.9
133.02881	0.8
134.03807	0.8
135.04515	0.9
137.02388	1.4
144.04305	1.2
145.05130	1.0
149.04568	1.3
161.02443	0.9
161.04536	1.5
191.05589	1.4
211.07613	2.6
313.18210	0.8
317.24908	3.0
325.18039	0.9
343.19122	9.8
373.22485	1.6
436.58377	0.9
505.26474	27.5
521.31213	19.6
565.30316	100.0
566.30713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.9
57.03469	3.8
58.00628	1.0
59.01389	57.6
61.98835	9.0
69.03471	2.2
71.01385	44.5
72.01752	0.6
72.99314	2.5
73.02950	17.5
73.03346	0.6
75.00868	0.9
81.03462	0.9
82.00268	0.5
83.01392	7.6
85.02956	18.3
87.00893	3.2
89.02441	41.6
92.10101	1.6
94.54967	0.6
95.01403	2.9
96.96011	0.9
97.02955	3.2
99.00874	12.4
99.04537	0.8
101.02442	34.9
111.00876	0.8
113.02451	14.7
113.03156	1.0
115.04036	2.4
116.92847	0.7
119.03506	8.7
121.38038	0.5
125.02424	2.4
127.04017	0.8
129.01985	0.6
131.02652	0.6
131.03473	4.7
134.03754	0.7
137.02419	0.8
138.87663	0.7
143.03505	2.1
149.04584	5.7
159.03032	0.8
161.04535	5.2
173.04478	0.6
175.04080	0.7
179.05646	0.7
191.05624	6.0
193.05135	0.7
197.75349	0.6
233.06685	0.7
293.08841	1.3
373.22366	12.7
380.53677	0.6
505.26645	100.0
506.26822	1.0
565.31024	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	565.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01674	0.6
55.01882	5.4
56.53972	0.5
57.03458	2.3
58.00617	1.0
59.01387	67.3
61.98842	11.1
69.03471	1.1
70.49535	0.5
71.01384	48.6
72.99335	3.0
73.02950	17.4
73.03350	0.7
75.00874	1.0
81.03462	0.8
83.01392	6.0
83.19371	0.6
85.02953	16.6
87.00898	3.3
89.02448	44.7
93.03455	0.8
95.01399	3.1
96.96027	1.3
97.02978	3.1
99.00879	12.6
101.02447	30.6
111.00903	1.1
113.02469	16.9
115.04035	2.6
116.92834	0.8
119.03513	7.4
125.02462	2.6
131.03523	4.2
143.03560	1.1
149.04568	6.0
149.05911	0.8
159.03105	0.6
161.04533	5.9
179.05659	0.8
191.05742	4.7
191.07133	0.6
193.05040	1.1
199.46548	0.6
233.06708	1.0
373.22437	11.8
505.26645	100.0
565.30896	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21652	0.3
55.01884	0.6
57.03450	2.3
59.01394	40.4
60.44836	0.4
61.98845	3.6
62.43206	0.4
69.03460	0.5
71.01015	0.4
71.01390	10.0
72.99288	0.6
73.02952	3.7
75.00881	0.7
81.03455	4.7
83.01393	2.9
83.05051	1.3
85.02966	7.5
85.68771	0.3
86.00108	0.7
87.00867	1.6
87.04474	0.5
88.01659	0.5
89.02445	3.8
95.01358	0.5
95.04996	0.5
96.96010	0.9
97.02957	0.6
99.00871	2.3
99.04545	2.6
101.02445	6.7
101.06080	0.6
107.05004	0.6
109.02970	3.4
109.06645	0.6
113.02444	2.9
114.02642	0.4
119.03440	0.7
121.06559	0.5
123.08167	24.4
125.02412	0.5
125.06019	0.4
127.04012	4.9
135.04515	0.4
137.02419	0.5
139.07751	0.4
144.04288	0.4
159.02962	0.6
161.04604	4.0
161.09805	0.5
187.11234	0.4
189.09218	7.7
191.05611	0.8
201.09250	15.6
325.18140	100.0
326.18396	2.0
343.19183	6.0
385.20334	1.5
427.21252	0.4
487.23315	2.8
505.25943	4.5
521.31439	4.6
535.20215	0.5
565.22125	0.8
565.30408	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	565.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21652	0.3
55.01884	0.6
57.03450	2.3
59.01394	40.4
60.44836	0.4
61.98845	3.6
62.43206	0.4
69.03460	0.5
71.01015	0.4
71.01390	10.0
72.99288	0.6
73.02952	3.7
75.00881	0.7
81.03455	4.7
83.01393	2.9
83.05051	1.3
85.02966	7.5
85.68771	0.3
86.00108	0.7
87.00867	1.6
87.04474	0.5
88.01659	0.5
89.02445	3.8
95.01358	0.5
95.04996	0.5
96.96010	0.9
97.02957	0.6
99.00871	2.3
99.04545	2.6
101.02445	6.7
101.06080	0.6
107.05004	0.6
109.02970	3.4
109.06645	0.6
113.02444	2.9
114.02642	0.4
119.03440	0.7
121.06559	0.5
123.08167	24.4
125.02412	0.5
125.06019	0.4
127.04012	4.9
135.04515	0.4
137.02419	0.5
139.07751	0.4
144.04288	0.4
159.02962	0.6
161.04604	4.0
161.09805	0.5
187.11234	0.4
189.09218	7.7
191.05611	0.8
201.09250	15.6
325.18140	100.0
326.18396	2.0
343.19183	6.0
385.20334	1.5
427.21252	0.4
487.23315	2.8
505.25943	4.5
521.31439	4.6
535.20215	0.5
565.22125	0.8
565.30408	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	565.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.4
57.03450	1.0
58.00590	0.7
59.01389	100.0
60.64879	0.6
66.68476	0.5
71.01386	21.7
72.99312	0.8
73.02959	3.5
83.01382	2.3
83.05836	0.6
84.33694	0.6
85.02949	8.0
87.61599	0.6
89.02442	14.9
92.10043	0.6
95.01382	1.0
97.02985	0.6
99.00858	0.9
101.02436	15.8
113.02458	8.0
119.03512	4.9
123.08183	1.3
123.93922	0.7
143.03510	1.0
159.02936	0.6
161.04523	6.1
204.08481	0.6
258.26575	0.7
272.98203	0.6
283.17169	0.7
287.20129	3.0
315.19659	1.0
325.18164	6.7
343.19186	10.8
345.20847	1.1
349.52002	0.6
361.20261	23.2
415.21463	1.5
505.24527	68.7
506.25015	1.4
565.26605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66610	14.7
57.11814	15.9
59.01387	100.0
61.98847	20.9
67.46266	15.1
69.18884	17.4
71.01398	39.9
82.29121	19.1
85.02984	23.2
89.02443	21.7
92.66014	18.3
99.93104	19.4
101.02432	40.5
113.02446	25.6
129.47275	16.8
229.40506	16.3
266.91940	18.8
483.27664	71.6
505.34238	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03458	2.0
58.08200	0.3
59.01389	100.0
59.12006	0.3
60.56096	0.3
61.98841	0.3
69.03443	0.5
71.01383	12.7
73.02948	4.6
83.01398	1.9
85.02947	10.5
87.00864	2.1
89.02450	0.8
89.74755	0.3
95.01369	0.7
95.05035	0.6
97.02927	0.8
97.06599	5.1
99.00880	1.9
101.02430	8.0
113.02451	5.6
113.50267	0.3
116.92859	2.1
123.08157	6.6
130.84300	0.3
134.58362	0.3
135.08151	1.6
139.53795	0.3
143.03621	0.6
153.48517	0.3
159.02997	1.9
161.04584	12.4
172.38547	0.4
245.15488	0.4
267.54153	0.4
269.19064	1.8
285.18579	0.5
287.20209	14.0
315.19788	9.0
325.17905	0.5
327.15726	0.4
343.19205	32.1
345.20804	0.5
359.18686	0.5
361.20383	0.7
385.20010	0.6
505.24573	4.6
565.26508	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06555	55.5
51.82970	63.6
59.01385	100.0
61.98844	68.3
65.94238	69.5
76.58315	78.0
134.72514	76.2
136.70122	78.6
147.12805	76.9
192.08121	91.4
264.94568	99.2
288.61279	85.3
317.03894	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.1
59.01399	55.3
61.98856	5.4
64.99120	6.6
68.52699	5.8
70.63362	4.8
71.01392	45.9
73.02953	21.6
74.72148	5.8
85.02959	27.0
89.02464	44.3
99.00882	10.4
101.02467	44.3
108.46779	6.3
113.02480	8.5
136.01620	6.3
151.04004	7.7
258.45334	7.8
289.91373	7.1
505.22983	7.2
507.83759	8.1
519.24524	100.0
565.15991	8.6
565.27777	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90026	3.1
59.01391	58.3
71.01379	62.4
73.02957	24.2
83.01353	4.8
85.02959	17.8
89.02442	39.1
99.00904	7.7
101.02442	42.2
113.02465	14.6
123.08156	5.3
131.03433	5.4
136.01665	8.3
139.33655	3.7
151.04008	6.3
161.04593	8.7
191.05583	7.9
330.96176	4.1
507.09207	5.1
519.24384	100.0
565.16895	4.4
565.28723	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	565.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30107	0.7
55.01897	0.7
57.03463	1.6
57.67381	0.7
58.00600	2.9
58.65553	0.7
59.01389	100.0
61.41266	0.6
61.98830	6.5
63.15215	0.6
64.70649	0.7
69.03475	0.8
71.01390	34.1
71.01778	1.3
72.99330	1.8
73.02953	11.5
76.57532	0.8
81.03465	1.1
82.81792	0.7
83.01418	3.9
85.02962	12.8
89.02451	29.2
95.01411	0.9
95.68230	0.8
96.96035	1.0
99.00888	4.0
101.02451	16.1
103.04050	1.5
109.02928	0.7
113.02467	5.8
115.03954	0.9
119.03487	4.5
123.00893	1.5
125.02437	3.4
127.04023	3.0
131.05031	1.0
137.02446	4.7
138.03242	4.3
146.03539	0.7
149.02475	1.3
149.04568	3.0
151.04047	6.5
152.04843	1.7
153.05559	3.1
159.04510	1.9
161.04572	4.0
163.06108	3.9
174.03091	1.3
175.04013	9.4
176.04715	0.9
177.05550	4.6
187.04053	12.1
188.04758	4.0
189.05507	3.8
190.06393	5.9
191.05630	1.3
191.07181	1.5
202.06332	4.8
203.07172	5.1
204.04297	1.3
204.07797	0.9
205.05083	18.7
205.08598	0.9
211.13512	1.5
217.08694	1.4
218.05789	1.5
219.06686	6.0
220.07411	15.6
229.19456	0.8
232.07465	0.9
234.08951	1.2
235.09790	8.3
293.08728	4.2
309.07758	1.2
311.09088	1.1
313.10846	1.2
325.07230	1.1
325.11295	1.1
339.12875	1.0
340.13406	0.9
341.10355	13.4
355.12012	2.5
356.12677	8.6
361.20230	5.5
371.10880	2.2
371.15112	4.6
373.22122	3.3
386.14047	1.1
401.16110	89.5
504.25668	1.1
505.26398	22.8
565.23169	4.9
565.30963	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	565.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15330	0.5
59.01384	31.8
71.01397	1.4
82.82787	0.6
87.00884	0.9
88.98813	0.6
89.02444	1.3
96.96008	8.6
101.02460	1.0
113.02524	0.8
137.02455	3.8
149.02444	1.2
151.00337	1.5
163.04024	0.8
165.01933	55.9
166.02759	5.5
180.04301	45.6
180.05968	0.8
181.03600	0.6
181.05080	4.4
183.06654	0.8
191.05682	0.9
195.06644	100.0
205.04988	0.8
222.90700	0.7
225.04323	0.8
243.08739	17.0
547.16736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39935	1.1
55.01894	5.6
55.28649	1.1
55.67336	1.1
57.03443	4.2
59.01106	2.5
59.01389	47.4
60.40889	1.0
60.57349	1.2
61.98832	2.9
63.28790	1.2
69.03468	1.6
71.01382	65.3
72.99323	2.6
73.02945	26.7
75.00871	1.7
81.97256	1.3
83.01398	8.5
85.02951	32.1
87.00885	5.4
89.02444	34.4
93.03466	7.4
95.01369	2.9
96.96024	13.4
97.02957	5.0
99.00870	16.7
101.02443	50.1
101.03101	2.6
111.00912	1.4
113.02449	25.0
114.38477	1.3
115.03987	1.9
115.37053	1.4
119.03508	1.5
121.02942	5.2
125.02457	2.9
131.03511	1.8
135.04532	2.1
137.02443	7.4
145.05161	2.1
148.23257	1.3
149.02441	7.8
149.04572	5.3
150.22525	1.2
159.02979	2.5
161.04596	14.3
163.04051	1.6
164.04831	2.3
173.04465	1.4
179.07179	1.8
184.08629	1.4
189.35216	1.2
191.05707	11.0
205.07207	6.4
233.06651	1.4
285.12482	1.8
367.04605	1.3
373.14999	17.3
387.20297	2.5
505.19281	100.0
519.24420	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	564.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
60.01708	0.1
60.51173	0.1
61.98834	100.0
62.34539	0.1
69.14761	0.1
70.37695	0.1
71.01380	0.9
72.01755	0.1
73.02946	0.1
85.02953	0.1
89.02448	1.4
90.02775	0.2
91.02860	0.2
91.66763	0.1
99.00880	0.6
101.02449	0.5
110.30667	0.1
120.51100	0.1
131.03525	0.1
149.04550	0.8
150.04865	0.2
191.05646	0.1
198.15221	0.1
217.63432	0.1
234.01405	0.1
288.85147	0.1
346.54028	0.1
439.28842	0.1
504.25174	0.1
518.47473	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	564.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.3
57.03486	0.2
59.01386	12.8
60.01719	1.6
61.98836	100.0
65.80331	0.2
71.01385	8.1
72.01730	0.9
72.99326	0.3
73.02935	3.4
83.01405	0.4
85.02962	2.2
86.03291	0.3
87.00893	0.3
89.02444	16.0
90.02763	1.7
90.14118	0.2
92.10161	0.5
95.65600	0.2
96.96010	0.6
99.00877	4.6
100.01217	0.5
101.02441	5.5
102.02788	1.3
104.70111	0.3
113.02465	1.8
116.75558	0.3
119.03518	0.6
125.02427	0.4
131.03499	1.6
132.03882	0.2
135.67052	0.2
141.70250	0.2
142.79572	0.3
149.04582	8.4
150.04890	1.6
161.04562	0.5
166.92917	0.2
174.32890	0.2
191.05653	2.8
221.06566	0.2
222.07068	0.4
251.07642	1.0
252.08057	0.4
263.29773	0.2
311.09515	0.3
312.10336	0.3
376.90182	0.3
503.24863	0.4
504.25320	3.0
564.95966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
62.91663	0.3
65.80384	0.3
67.72183	0.3
70.27185	0.2
71.01351	0.2
71.85320	0.2
78.95907	5.2
79.95737	1.4
87.22999	0.3
96.96007	100.0
96.96901	6.1
97.72929	0.3
135.04523	0.5
141.01749	0.3
149.44284	0.3
159.30951	0.3
179.03531	0.4
230.11790	0.3
318.87793	0.3
323.02841	0.4
446.84894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76555	0.2
59.01382	1.1
60.40306	0.2
61.98835	100.0
63.63239	0.2
71.01369	0.3
85.57768	0.3
89.02451	1.2
90.42606	0.3
91.02838	0.3
96.59058	0.3
99.00881	0.4
109.18497	0.3
118.15173	0.3
126.51365	0.3
149.04581	0.5
539.56812	0.3
572.25513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70614	22.7
59.01388	100.0
61.98834	22.8
73.87124	18.1
78.40080	20.5
89.49361	21.8
94.87759	21.8
175.49844	25.2
178.44646	21.8
503.34219	46.5
517.32007	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	563.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27804	1.3
53.76958	1.6
59.01386	100.0
61.98838	3.0
63.20725	1.4
66.67254	1.4
68.99621	1.7
74.89565	1.5
118.64181	1.6
174.67389	1.9
181.00130	1.8
243.01262	1.8
481.34793	1.9
503.34155	18.0
563.36084	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	564.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29576	0.2
59.01387	3.3
61.87946	0.2
61.98835	100.0
71.01389	2.0
73.02946	0.3
85.02953	0.4
89.02438	2.0
96.96000	0.4
97.02888	0.2
99.00835	0.3
101.02446	1.1
113.02482	0.2
126.02853	0.2
149.04517	0.4
191.05714	0.3
284.99911	0.2
306.34369	0.2
360.19019	0.3
418.43622	0.2
471.95703	0.2
504.25500	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	563.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.3
57.03455	2.4
58.00611	1.8
58.03832	1.3
59.01387	100.0
61.98830	16.4
64.33611	1.4
69.03494	1.6
71.01384	62.6
72.99313	2.6
73.02950	23.4
83.01409	6.8
83.37740	1.3
85.02953	20.0
87.00883	2.2
89.02448	52.7
93.03482	3.4
96.96009	2.2
97.02937	2.9
99.00903	14.5
101.02451	34.6
113.02452	18.5
115.04021	2.3
119.03490	5.2
119.05051	1.5
124.05293	1.6
125.02437	6.7
131.03517	7.4
133.03033	2.3
134.03790	1.8
135.04546	2.1
145.02933	1.9
149.04582	9.3
151.03992	2.1
161.02419	1.6
161.04565	6.4
165.12863	8.9
168.95769	1.7
173.04628	3.1
173.57542	1.4
174.67865	1.6
178.02760	2.3
179.03386	1.5
191.05612	12.5
191.14397	5.3
209.15436	5.8
222.21815	1.5
233.06694	2.5
293.08719	6.1
313.17960	1.7
359.18756	36.2
371.20865	2.5
413.19763	1.6
503.25076	96.8
505.92209	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	563.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74238	1.8
59.01382	30.6
59.01601	1.7
71.01379	22.9
72.99331	2.8
73.02959	4.1
75.34869	1.9
82.95412	2.7
85.02950	8.0
87.00892	4.1
89.02435	21.1
93.03499	14.1
96.96014	23.5
99.00863	4.1
101.02439	4.9
103.23939	2.3
111.04535	4.0
113.02463	4.3
116.92946	2.5
119.03504	5.2
121.02991	3.3
122.03748	5.2
133.02985	3.5
134.03751	66.9
135.04541	4.5
137.02458	11.3
149.02470	15.2
149.06091	15.3
150.03239	75.7
151.04080	2.5
155.03525	3.3
160.01674	9.5
164.04808	40.1
165.05565	65.6
173.04529	16.3
175.04024	8.9
178.02724	41.2
179.03404	7.1
179.05620	3.6
179.07132	30.7
191.05638	10.1
193.05077	100.0
194.05696	3.2
195.06668	29.1
209.08192	3.3
244.71513	2.2
263.14801	2.4
301.57877	2.3
316.41937	2.3
369.74588	2.3
389.12549	8.8
536.90283	2.0
563.17810	9.0
563.25854	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	563.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.29228	0.5
57.03446	0.8
58.00602	1.1
59.01387	58.1
61.98830	0.9
64.64607	0.4
70.74094	0.5
71.01381	39.0
72.99306	2.8
73.02943	15.1
76.56922	0.6
78.43315	0.5
79.45158	0.5
83.01389	1.1
85.02946	6.7
85.03341	0.5
87.00874	0.7
89.02443	100.0
90.48216	0.7
93.03473	0.8
99.00878	29.8
99.69733	0.5
101.02440	31.9
113.02454	4.8
114.84548	0.5
115.04047	0.6
116.45232	0.6
119.03477	2.3
125.02421	3.0
131.03520	11.5
143.03487	2.1
149.04567	46.1
161.04605	3.8
191.03947	0.7
191.05605	15.3
221.06705	8.9
251.07686	2.8
275.08044	0.5
293.08740	2.4
311.09879	5.6
478.71667	0.5
503.25055	3.7
563.21100	0.6
590.28680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
57.03459	1.7
59.01385	100.0
61.98835	1.4
64.34194	0.9
69.03451	0.9
71.01381	27.2
71.05032	1.3
72.99325	1.0
73.02950	11.0
83.01388	4.1
83.05037	1.2
85.02955	17.0
86.00107	1.5
87.00867	11.1
87.04521	1.4
89.02442	29.8
97.02935	1.7
97.11176	0.9
99.00864	8.6
99.04540	3.8
101.02443	14.5
111.00902	4.2
111.04510	1.6
113.02467	7.5
114.03287	0.9
115.04015	3.9
118.26042	0.9
119.03510	2.0
121.06644	1.3
123.08163	6.2
125.02431	0.9
129.01956	6.2
131.03477	3.6
135.04527	1.2
139.03998	3.6
143.03529	1.0
145.06572	1.2
147.04616	0.9
149.04546	6.6
159.03008	1.5
161.04529	1.7
174.81116	0.9
185.09636	3.5
191.05618	3.9
194.11769	0.9
199.11296	1.2
221.06642	1.1
227.10770	1.2
238.09819	1.1
241.12390	24.8
243.13980	3.6
251.10718	0.9
253.12492	1.3
269.15497	19.0
281.15588	1.7
290.13010	1.0
293.08875	1.2
305.15585	1.5
308.14236	2.0
311.16370	0.9
323.16571	57.2
337.53171	0.9
338.54678	1.1
341.17618	5.0
348.20554	1.2
365.17715	1.5
379.13864	1.8
381.63095	1.0
413.19791	7.5
503.23230	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69401	0.9
58.00615	1.1
58.74605	1.0
59.01387	43.9
63.27009	1.0
64.90308	0.9
69.03471	1.7
71.01384	38.4
72.99345	1.0
73.02944	15.3
85.02962	8.0
87.00919	1.3
89.02447	51.5
92.10498	5.4
95.92517	1.1
97.02971	2.3
99.00893	20.1
101.02447	14.2
113.02462	6.3
115.03996	1.9
119.03443	1.8
123.08257	1.2
125.02444	10.9
131.03523	6.1
134.03748	11.0
137.02498	1.1
138.06909	4.5
149.04565	9.0
149.06030	1.3
150.03290	1.8
151.07697	2.6
152.08476	13.2
153.09254	15.2
160.01688	6.8
161.04547	2.2
163.11244	1.5
164.19815	1.1
167.01422	1.0
175.04076	8.4
191.05664	5.2
191.75679	1.1
193.05115	9.7
205.12375	24.4
232.17427	1.0
233.06761	1.9
293.08832	4.2
341.10489	1.3
403.35251	1.3
517.15747	10.8
517.22968	100.0
518.15222	1.2
518.23456	1.2
580.73315	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	563.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	1.2
59.01385	75.9
60.99312	2.4
61.98836	1.9
71.01379	43.7
71.52739	1.1
72.99308	1.8
73.02941	17.3
75.00893	1.7
83.01385	1.8
83.67628	1.0
85.02940	8.7
87.00868	2.2
87.22740	1.2
88.98833	2.6
89.02437	100.0
93.03468	6.5
96.95995	14.0
97.02962	2.0
99.00873	24.6
101.02435	35.6
108.97452	1.3
113.02469	7.7
125.02412	2.5
131.03532	9.3
134.03735	11.8
137.02434	1.9
143.03535	2.6
147.04533	1.5
149.04559	45.2
149.05875	1.8
150.03221	5.9
160.01639	20.2
161.04518	1.6
165.05540	8.9
173.04552	2.0
175.03993	20.1
176.04788	1.2
191.05614	19.4
191.07153	1.9
193.05009	13.4
221.06650	7.2
235.06097	2.3
251.07753	6.0
293.08789	5.4
311.09839	7.1
503.17871	26.1
517.23029	1.5
563.14203	1.2
563.23932	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	562.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
60.01719	0.2
61.98835	100.0
71.01376	1.9
73.02949	0.8
75.73622	0.1
79.94421	0.2
81.16839	0.2
89.02443	4.1
90.02763	0.3
91.02844	0.2
93.64423	0.2
99.00883	1.3
101.02449	1.0
131.03452	0.4
131.48698	0.2
149.04601	1.7
150.04953	0.2
152.95938	0.2
191.05620	0.3
221.06638	0.2
359.26169	0.2
359.63165	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64775	1.1
51.56564	1.1
55.01877	1.4
55.73684	1.0
57.03466	1.7
59.01389	7.1
60.07840	1.0
71.01394	10.3
73.02946	5.8
75.31662	1.5
83.01390	2.2
85.02974	7.2
87.00876	37.5
89.02455	2.4
93.61012	1.7
95.01375	2.2
96.96005	10.9
99.00893	7.0
101.02467	1.7
111.00904	16.5
112.98843	6.3
113.02452	2.8
123.00898	7.0
125.02402	1.4
129.01903	1.5
134.87068	1.4
135.04646	2.1
138.03236	7.4
142.99846	2.9
145.01416	2.7
153.05603	11.7
161.02440	9.0
163.03992	13.6
164.04857	6.0
164.30513	1.3
166.02812	4.6
173.00935	15.8
174.01703	2.9
175.03992	2.1
176.04814	8.3
177.01955	2.1
178.06384	14.6
179.03539	16.7
179.07164	11.4
181.05084	9.8
190.02803	2.9
191.01962	8.9
191.03580	10.4
191.07188	7.5
193.08713	17.3
194.05821	20.1
203.03488	7.1
205.05141	7.8
206.05869	9.4
207.06711	2.2
209.08226	23.9
218.05983	1.8
219.03038	7.0
221.08215	8.4
233.08299	1.5
234.05415	5.1
247.02515	13.0
247.06076	2.0
249.07799	12.7
261.04001	5.3
262.04877	17.2
265.07178	12.6
276.06351	5.2
277.07230	41.3
279.08325	1.4
291.08963	2.6
337.09360	31.2
383.09647	2.0
395.07663	2.0
439.12701	1.8
488.32300	1.6
563.16315	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	561.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71535	0.5
59.01390	100.0
67.96174	0.5
68.13007	0.4
82.50594	0.6
114.96463	0.5
183.29306	0.7
199.08678	0.6
213.07097	0.6
217.00308	0.7
407.29422	0.7
426.80975	0.7
483.31717	0.8
501.32416	12.3
515.28937	0.7
561.34143	2.7
573.04346	0.6
574.80963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50319	0.7
55.78415	0.8
59.01388	17.3
61.98844	1.3
67.72042	0.9
68.49509	0.8
72.99311	100.0
77.35153	0.9
91.00379	4.4
94.72333	0.8
96.96013	1.7
151.71916	0.9
157.98456	0.9
174.90187	0.8
187.11182	1.0
191.05705	1.0
391.21246	1.0
439.32391	1.1
469.33224	5.5
483.27652	4.4
501.32840	1.4
561.34711	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	562.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
61.98834	100.0
71.01389	2.5
73.02945	1.5
74.01116	0.3
85.02954	2.2
89.02425	3.0
93.03423	0.5
99.00892	1.4
101.02437	2.0
118.39693	0.3
121.02953	2.0
121.34753	0.3
122.03278	0.5
128.33646	0.4
149.04552	0.4
161.02390	0.8
171.19794	0.4
175.03821	0.5
186.13960	0.4
191.05626	3.6
192.05956	0.5
205.23071	0.4
236.14131	0.5
278.88342	0.4
339.03983	0.5
355.59338	0.4
502.23877	0.7
510.93933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30144	0.8
57.53795	0.7
59.01388	100.0
60.88891	0.7
71.01405	5.5
73.02962	1.5
85.02974	1.6
90.04829	0.7
96.96080	0.7
98.95594	4.2
101.02463	4.6
111.59662	1.0
113.02490	1.2
119.08688	0.9
161.04527	0.9
239.95705	1.0
313.80362	1.0
333.22144	0.9
369.23029	1.3
435.29306	1.6
436.33563	0.8
461.27097	1.7
497.29150	19.8
501.32587	85.2
529.17694	0.9
561.24530	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	561.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44493	4.2
59.01389	100.0
91.68942	4.2
92.88242	4.3
137.86200	4.7
143.31625	5.6
176.33163	4.7
217.00348	6.6
249.34209	4.7
298.41492	4.8
379.80542	5.5
501.32196	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30272	0.6
57.20544	0.5
57.25363	0.7
59.01390	100.0
61.98843	0.8
72.97211	0.7
83.05069	0.7
92.93301	0.8
273.20038	0.8
296.89178	0.7
305.48465	0.9
356.38864	0.8
358.27710	0.8
440.31549	1.1
501.28665	4.8
546.96997	1.0
561.29346	1.2
566.23956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
64.33630	1.4
65.60207	1.6
71.01385	7.0
71.30301	1.5
73.02977	2.3
80.00246	1.8
82.34791	1.4
85.02979	3.0
87.44623	1.6
92.10056	4.9
96.96011	2.2
98.95606	6.3
101.02460	3.3
113.02466	1.5
461.26932	1.9
497.29141	28.9
501.26862	14.7
501.32846	71.8
561.24408	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	561.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.2
57.03458	1.3
58.00610	0.7
59.01390	65.1
61.84399	0.6
64.34449	0.6
69.03453	0.7
69.26270	0.6
71.01390	47.9
72.99305	1.4
73.02946	15.8
75.00884	1.4
75.85965	0.6
83.01405	3.3
85.02965	10.7
87.00894	3.2
89.02450	70.2
91.85345	0.6
92.10801	0.7
95.01401	3.5
97.02939	1.3
99.00888	21.6
99.04532	0.7
99.76534	0.6
101.02444	30.4
109.51405	0.7
113.02460	15.6
114.35674	0.6
114.89565	0.7
115.04025	2.6
119.03502	10.4
119.62323	0.6
125.02450	4.8
131.03505	8.1
143.03542	1.5
149.04559	16.8
151.73453	0.8
159.09398	0.6
161.04541	4.2
189.12895	6.6
191.05630	9.5
207.08179	1.1
207.43439	0.7
233.06673	3.3
251.07722	3.2
293.08707	5.4
346.50085	0.7
369.19107	3.4
501.23529	100.0
502.23795	2.9
551.01459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01169	0.6
54.43537	0.6
59.01387	7.6
59.84731	0.7
61.98834	3.2
65.28924	0.8
71.01393	1.7
72.99281	0.7
79.95731	9.3
80.96533	3.7
85.02976	1.2
87.00870	1.0
96.96012	76.6
101.02435	3.5
103.70433	0.7
113.02497	1.2
119.48575	0.8
120.00628	0.8
135.25188	0.7
137.96370	0.8
138.97054	3.5
241.00330	8.2
280.83099	1.0
287.09073	0.9
323.08347	0.9
430.76837	0.9
483.27588	1.0
561.27527	100.0
562.27576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44677	0.7
59.01385	69.1
64.04172	1.0
65.63164	0.7
71.01382	42.0
72.99334	1.2
73.02946	18.6
73.64001	0.8
83.01374	1.0
83.49664	1.0
85.02982	3.5
89.02442	100.0
99.00878	26.1
101.02443	25.7
103.72355	0.9
111.98264	0.9
113.02496	6.7
118.45326	0.8
119.03508	1.5
125.02467	1.9
131.03506	13.8
137.09703	1.4
143.03510	2.0
149.04565	48.6
161.04562	4.1
168.60655	0.9
191.05650	15.4
210.57947	0.8
221.06670	6.1
227.12935	0.9
251.07719	4.1
293.08878	2.1
311.09906	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	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66888	0.3
55.01885	1.5
55.90918	0.3
57.03454	1.6
58.00595	4.0
59.01384	13.3
61.98845	2.6
68.99821	0.5
69.03468	0.4
69.85419	0.4
71.01384	15.8
72.99317	2.0
73.02949	11.1
79.95736	0.6
81.03465	0.5
83.01399	2.0
83.05027	0.6
83.75127	0.4
85.02953	6.6
86.00124	1.6
86.74413	0.4
87.00877	3.1
89.02437	2.8
91.71066	0.4
95.01382	0.7
96.96021	4.9
97.02951	0.9
98.95611	2.8
99.00878	9.1
100.01675	4.8
101.02447	8.0
112.01672	0.8
113.02451	3.2
115.31155	0.3
121.03004	0.4
122.29129	0.4
125.02435	2.4
131.03477	1.8
135.04526	3.0
137.09706	1.6
151.11295	1.6
151.19205	0.4
159.03041	0.5
160.03777	9.3
161.09743	0.4
163.11284	2.5
175.11241	3.5
177.12839	0.6
179.03531	0.6
179.14423	0.6
187.11302	0.7
189.12846	2.4
190.10028	0.4
191.14377	0.8
193.12320	1.8
205.12355	7.5
207.13925	7.6
213.12846	0.5
223.13431	33.5
231.13962	7.1
233.06633	0.5
249.14993	12.7
263.63147	0.4
267.16074	8.2
276.31387	0.4
369.19247	29.2
483.27649	2.7
501.23514	100.0
502.23804	2.5
561.26007	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	561.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94967	0.5
57.03434	0.5
59.01387	23.4
60.99317	1.0
61.98846	1.1
63.78237	0.4
67.01894	5.9
69.03474	2.7
71.01384	14.8
72.99332	0.6
73.02937	6.1
81.03443	0.7
81.46375	0.4
83.01419	0.5
83.05040	1.1
85.02953	13.6
87.00880	9.9
88.98780	0.7
89.02445	24.5
93.03458	33.9
96.21864	0.5
96.96037	2.7
99.00871	8.9
99.04538	1.2
101.02435	9.4
103.00387	0.5
105.03472	1.9
109.02999	3.5
111.00905	0.5
111.04523	4.5
113.02471	3.2
116.92874	0.6
117.03471	0.5
121.02898	0.5
123.04423	0.6
125.02414	0.9
127.04037	2.6
129.01978	0.7
131.03513	2.5
132.02185	4.2
133.01422	0.6
133.02969	17.7
134.03760	2.5
135.04527	15.3
135.05499	0.9
137.02463	1.0
139.04010	0.8
149.02469	2.4
149.04561	9.9
150.02794	0.5
151.04050	2.0
155.03520	1.9
160.01685	8.8
161.02461	20.0
161.04549	0.9
164.04807	1.1
173.04579	10.3
176.96953	3.3
177.01981	4.8
177.05547	1.0
178.02745	1.1
179.03526	8.6
191.05644	100.0
208.58597	0.5
215.03874	0.5
215.05589	4.3
221.06717	1.2
223.06053	1.2
224.06436	0.9
225.06718	0.6
251.07640	0.6
308.08582	0.5
351.07327	10.0
369.09866	17.8
381.19022	0.6
385.35818	0.7
387.10925	0.8
444.94833	0.6
445.11325	1.1
501.23636	5.3
561.16370	2.4
561.24847	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	561.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94967	0.5
57.03434	0.5
59.01387	23.4
60.99317	1.0
61.98846	1.1
63.78237	0.4
67.01894	5.9
69.03474	2.7
71.01384	14.8
72.99332	0.6
73.02937	6.1
81.03443	0.7
81.46375	0.4
83.01419	0.5
83.05040	1.1
85.02953	13.6
87.00880	9.9
88.98780	0.7
89.02445	24.5
93.03458	33.9
96.21864	0.5
96.96037	2.7
99.00871	8.9
99.04538	1.2
101.02435	9.4
103.00387	0.5
105.03472	1.9
109.02999	3.5
111.00905	0.5
111.04523	4.5
113.02471	3.2
116.92874	0.6
117.03471	0.5
121.02898	0.5
123.04423	0.6
125.02414	0.9
127.04037	2.6
129.01978	0.7
131.03513	2.5
132.02185	4.2
133.01422	0.6
133.02969	17.7
134.03760	2.5
135.04527	15.3
135.05499	0.9
137.02463	1.0
139.04010	0.8
149.02469	2.4
149.04561	9.9
150.02794	0.5
151.04050	2.0
155.03520	1.9
160.01685	8.8
161.02461	20.0
161.04549	0.9
164.04807	1.1
173.04579	10.3
176.96953	3.3
177.01981	4.8
177.05547	1.0
178.02745	1.1
179.03526	8.6
191.05644	100.0
208.58597	0.5
215.03874	0.5
215.05589	4.3
221.06717	1.2
223.06053	1.2
224.06436	0.9
225.06718	0.6
251.07640	0.6
308.08582	0.5
351.07327	10.0
369.09866	17.8
381.19022	0.6
385.35818	0.7
387.10925	0.8
444.94833	0.6
445.11325	1.1
501.23636	5.3
561.16370	2.4
561.24847	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	560.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
97.39948	43.5
101.02359	47.1
122.95565	44.8
147.55643	49.4
174.03670	52.5
379.50339	49.7
501.62195	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83345	91.2
59.01403	100.0
66.29262	68.1
66.59923	80.3
71.87704	76.5
91.64097	78.1
112.97002	80.2
136.31844	83.1
170.91289	80.6
186.10089	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82545	0.2
57.02285	0.2
59.01392	0.3
74.35203	0.2
74.37592	0.2
89.03964	0.9
92.10161	0.5
92.23232	0.2
96.96024	1.4
99.63020	0.2
102.45125	0.2
105.03447	2.2
133.02963	5.8
145.36490	0.2
148.01637	0.4
163.10181	0.2
176.01195	1.6
177.01953	100.0
178.02185	0.2
182.76883	0.2
289.87741	0.2
339.07281	28.3
340.07852	0.3
501.73242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	14.5
60.17192	1.8
61.98846	3.8
66.55489	1.7
72.99310	100.0
75.83878	1.9
105.01950	2.9
110.71185	2.2
116.92863	2.3
145.02995	3.8
412.40027	2.4
453.33890	20.1
477.12369	2.6
505.28159	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	559.3802
Annotation	(+)-Strempeliopidine
Peak:m/z	Relative Intensity
51.74239	2.0
58.65982	2.0
59.01398	2.9
61.38858	2.3
61.98866	2.4
80.68439	2.3
90.55772	2.0
92.66022	2.3
105.51004	2.3
150.01016	2.4
219.47255	2.4
269.58432	2.5
423.95663	2.8
492.76025	2.6
559.29437	5.9
559.37982	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	560.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.8
71.01378	11.4
72.00913	17.7
73.02943	6.0
73.66280	0.6
83.01408	1.3
85.02965	5.6
88.23651	0.6
89.02445	8.3
91.05540	0.8
96.96041	1.5
99.00905	3.8
100.71798	0.7
101.02455	9.0
101.06124	3.3
113.02479	3.8
116.92871	1.2
143.03494	0.8
147.04539	61.3
149.04602	3.7
161.04573	4.7
164.07190	100.0
191.05618	0.8
228.43295	0.7
233.06978	0.7
263.11337	3.1
280.11389	0.8
316.62750	0.7
395.15631	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85028	0.2
54.97955	0.2
55.01879	0.3
55.41499	0.2
58.46494	0.2
59.01390	2.3
71.01377	2.4
72.88896	0.3
72.99322	0.3
73.02941	0.5
74.41671	0.2
79.95737	9.9
80.96513	5.0
83.01392	0.5
85.02972	1.3
87.00861	1.3
89.02480	0.3
92.10142	0.6
96.44833	0.3
96.96008	75.4
97.27990	0.3
99.00912	0.3
101.02419	2.8
113.02438	1.9
114.10669	0.3
122.97540	0.5
126.33606	0.2
137.96283	1.4
138.97073	4.7
150.97041	1.5
166.96521	1.1
241.00264	12.1
343.05573	0.3
496.67957	0.3
513.45715	0.3
559.25903	100.0
560.26404	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	559.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97334	0.2
56.12870	0.2
59.01382	1.5
61.98832	1.9
71.01376	2.6
73.02934	0.6
78.55510	0.2
79.95730	9.5
80.96513	5.5
82.45754	0.2
83.01376	0.5
85.02962	1.2
87.00874	1.3
89.02430	0.3
95.01364	0.3
96.96006	74.8
101.02439	3.3
106.49551	0.2
110.19224	0.3
111.00832	0.3
113.02448	1.8
121.51553	0.3
122.97561	0.6
135.04520	0.3
137.96301	0.6
138.97070	5.2
150.97063	1.3
162.87215	0.3
166.96532	1.3
179.90308	0.3
179.92029	0.2
187.55238	0.3
191.05630	0.4
241.00285	11.5
241.02756	0.6
250.06874	0.3
258.64578	0.3
410.56079	0.3
559.25873	100.0
560.26013	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	559.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
64.92462	12.6
85.02972	32.7
116.55334	12.0
145.02956	19.3
161.06001	16.7
183.12770	12.8
435.78891	14.3
513.28723	80.2
559.34851	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	559.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07441	3.2
59.01385	14.6
60.07973	2.6
61.98840	14.1
87.36115	3.4
99.92577	78.6
100.93362	6.6
115.92059	44.0
116.92871	86.9
117.03444	4.4
119.05028	6.2
145.02953	16.6
222.25552	3.7
238.05367	3.9
257.88208	4.0
265.72168	3.8
271.27939	3.7
351.95563	4.1
356.96024	4.3
360.04138	4.2
486.36804	5.1
525.18384	4.0
541.19031	4.0
559.20209	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	559.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13650	0.5
52.43524	0.5
57.03462	0.8
58.00628	1.0
59.01385	65.9
71.01382	41.0
72.99317	1.1
73.02945	14.8
80.15252	0.5
83.01424	1.2
85.02933	4.6
89.02443	100.0
89.84194	0.5
97.02972	1.1
99.00882	31.6
100.46621	0.6
101.02446	31.6
113.02472	5.8
119.03528	1.1
119.92503	0.6
124.11068	0.6
125.02432	2.5
127.50871	0.6
131.03491	12.1
143.03516	3.4
149.04564	43.2
161.04553	3.9
191.05649	14.7
221.06731	10.2
226.58838	0.7
251.07707	4.0
258.13351	0.6
281.08994	1.1
293.08786	3.3
311.09912	7.9
541.40784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57337	19.6
52.68081	17.9
59.01389	38.8
59.25239	23.1
61.98835	100.0
96.96043	24.6
126.61150	24.1
139.77800	25.2
153.05653	21.8
156.66035	23.8
189.69658	22.0
194.35915	25.7
410.05643	26.4
560.10724	29.3
585.23016	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53986	0.3
57.03440	0.6
57.90234	0.3
59.01372	2.7
59.66721	0.3
60.99306	0.3
67.01880	4.3
69.03448	0.6
71.01360	3.0
81.03466	0.6
81.06511	0.3
83.05018	0.7
85.02927	0.5
92.10747	0.7
93.03437	29.3
109.02957	0.8
111.00843	0.5
111.04513	6.3
113.02424	0.5
121.02934	1.4
131.56329	0.4
131.90930	0.4
133.02956	0.9
137.02426	5.8
147.04517	1.7
149.02438	18.8
155.03506	5.2
161.02435	0.7
164.04799	17.4
173.04544	100.0
174.04854	0.6
179.07112	0.8
191.05582	1.7
223.06149	20.5
397.11429	31.4
559.32458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23864	33.5
61.72554	36.3
61.98846	47.4
70.52661	35.1
70.78874	40.0
72.48183	39.3
92.10170	100.0
121.19431	42.7
141.16255	51.5
173.42336	47.5
193.64822	50.3
272.77609	42.6
338.10852	45.6
427.14496	43.6
485.32956	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87402	64.0
52.98568	68.1
55.51726	76.0
55.55058	67.1
57.17772	70.4
59.01400	86.0
70.41792	76.3
74.19946	100.0
75.32337	74.1
83.85609	95.1
128.61810	84.9
185.14304	98.4
314.65018	89.2
319.06064	92.4
326.80096	99.6
377.13885	80.2
382.13327	83.9
542.31720	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23864	33.5
61.72554	36.3
61.98846	47.4
70.52661	35.1
70.78874	40.0
72.48183	39.3
92.10170	100.0
121.19431	42.7
141.16255	51.5
173.42336	47.5
193.64822	50.3
272.77609	42.6
338.10852	45.6
427.14496	43.6
485.32956	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78654	0.3
57.83172	0.3
59.01386	100.0
61.98834	4.2
65.83439	0.3
79.18040	0.4
80.29666	0.3
85.83733	0.4
87.38499	0.4
115.92076	0.6
125.09760	3.3
166.71814	0.3
187.09822	0.6
255.33359	0.4
259.62665	0.4
313.23969	1.6
389.51389	0.4
463.95053	0.4
471.35938	0.4
471.84232	0.5
540.83185	0.4
557.33246	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	558.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57337	19.6
52.68081	17.9
59.01389	38.8
59.25239	23.1
61.98835	100.0
96.96043	24.6
126.61150	24.1
139.77800	25.2
153.05653	21.8
156.66035	23.8
189.69658	22.0
194.35915	25.7
410.05643	26.4
560.10724	29.3
585.23016	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53619	0.8
55.01897	1.5
57.03445	1.0
59.01389	43.9
61.98841	3.8
64.34402	1.0
68.43986	0.9
69.03432	0.9
71.01385	41.8
72.99299	1.4
73.02944	16.2
75.00905	4.2
81.03455	1.1
83.01419	6.2
85.02966	14.8
87.00907	4.3
87.04538	1.1
89.02444	39.4
95.01392	1.7
96.96002	16.1
97.02959	2.1
99.00883	15.6
101.02454	31.0
107.04990	0.9
110.06146	1.7
113.02464	14.2
115.04050	1.9
116.92838	1.1
119.03487	4.7
122.06103	4.3
125.02465	4.9
131.03494	5.0
135.04521	1.3
141.01820	1.1
143.03490	2.0
149.04584	8.7
153.01982	2.1
159.02995	1.4
159.10283	1.6
161.04533	6.6
162.05617	1.2
168.04286	1.0
191.05637	4.2
203.12802	1.2
233.06705	1.3
285.12451	3.8
365.18161	9.7
497.22543	100.0
557.22198	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	557.3111
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
52.06656	2.7
53.62294	3.0
59.01386	26.7
60.05784	2.7
60.97499	2.3
61.98832	25.4
71.01387	19.0
73.02970	4.2
84.01669	3.0
84.63388	2.4
85.02975	5.5
87.00875	3.4
89.02461	5.5
93.03479	15.4
101.02480	4.9
111.00883	2.8
113.02507	6.6
129.79221	2.5
133.03026	3.2
149.02469	4.9
164.04704	4.5
166.94687	2.9
173.04543	13.4
180.52037	2.8
184.84151	3.1
191.05583	5.9
202.07715	2.7
223.06177	3.8
291.78247	3.7
401.09525	2.8
521.33337	69.9
557.22418	11.9
557.30945	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	557.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74544	0.2
55.01882	0.4
59.01389	0.7
62.75078	0.3
68.34977	0.3
70.47443	0.2
71.01370	2.2
79.95737	9.1
80.96517	5.9
83.01383	0.6
85.02955	0.6
87.00882	1.9
96.96010	76.6
97.30538	0.3
101.02445	3.7
110.69658	0.3
113.02456	1.7
122.97478	0.3
137.96298	0.5
138.80000	0.3
138.97070	5.1
150.97096	1.6
162.32445	0.3
166.96527	0.7
234.77310	0.3
240.97926	0.6
241.00287	12.0
290.97748	0.3
553.53778	0.3
557.24365	100.0
558.24567	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	557.2433
Annotation	Atorvastatin
Peak:m/z	Relative Intensity
59.01397	0.8
67.45589	0.3
70.28577	0.3
71.01394	1.9
72.99305	0.4
79.95750	9.6
80.96531	6.6
85.02953	0.4
87.00888	2.3
87.84332	0.4
96.96013	78.8
97.23000	0.3
101.02453	3.2
113.02441	1.4
122.97591	0.5
133.41238	0.3
133.83667	0.4
137.96317	0.7
138.97087	5.9
150.97086	1.6
166.96480	0.6
240.97920	0.7
241.00247	11.6
557.24341	100.0
558.24786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98056	3.8
59.01382	71.8
61.98847	31.1
71.01401	28.7
73.02962	9.0
85.02953	9.0
87.00880	10.3
88.98817	5.1
89.02436	46.2
96.96006	100.0
96.96943	6.0
99.00910	11.1
100.15299	4.3
101.02463	25.5
103.00394	6.8
109.02956	5.8
116.92879	9.3
121.02963	20.2
130.99911	4.7
134.03752	24.4
135.99754	4.6
149.04594	23.9
153.01936	10.1
157.03285	5.0
160.01639	38.2
173.04529	5.8
175.04039	46.2
191.05563	32.9
193.05032	32.9
235.06105	8.0
253.03790	16.5
254.42180	5.3
285.58701	4.7
497.22678	7.4
519.17468	50.1
519.24274	8.5
557.23492	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
55.33537	0.9
57.03468	1.6
59.01105	1.5
59.01386	27.7
61.98828	4.7
62.02235	0.9
62.23364	0.9
71.01387	23.9
72.99309	5.9
73.02954	10.7
73.38418	0.9
83.01402	5.7
85.02967	13.5
87.00876	2.0
88.98817	1.5
89.02453	7.2
92.29752	1.0
93.03471	2.2
93.34635	1.2
99.00877	6.1
101.02452	28.7
113.02458	9.0
117.03471	5.3
121.02864	1.2
126.66167	1.2
129.01952	1.3
129.09184	2.5
132.02190	10.1
133.02974	15.2
134.02733	1.3
134.03745	38.5
135.04518	9.5
143.03476	1.4
149.04568	2.4
149.06065	2.0
155.10831	2.7
160.01666	57.5
161.02466	45.2
161.04475	7.6
170.10382	1.3
173.04526	1.9
175.04022	38.3
179.03455	4.8
191.05606	3.7
193.05086	20.6
193.60887	1.0
199.09727	1.4
201.11382	1.2
219.12372	2.1
232.04668	1.0
291.14594	10.6
317.16086	15.3
328.11292	1.1
338.95697	1.3
339.08893	1.4
363.16693	26.1
381.17697	93.4
390.70996	1.2
518.52362	1.3
521.25928	1.7
525.19763	15.2
539.21265	9.0
557.22479	100.0
558.22003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09740	1.5
55.01897	3.3
57.03451	3.0
59.01385	73.6
61.98833	15.3
70.41612	1.4
71.01382	39.7
72.99306	2.7
73.02953	15.2
81.50502	1.5
83.01404	6.8
85.02950	16.1
87.00893	8.0
88.98798	1.6
89.02444	29.1
93.03458	10.7
95.01406	1.6
96.96012	7.9
97.02959	1.6
99.00879	8.6
101.02443	30.0
108.09846	1.6
111.00861	2.2
113.02446	15.4
116.92840	3.6
117.03460	19.7
119.03516	2.8
119.05034	14.9
120.79510	1.8
121.02951	3.3
127.04028	3.2
133.02919	2.4
135.04494	6.3
143.03470	1.9
145.02962	100.0
149.04520	3.3
150.03253	30.7
160.04068	13.7
161.02473	2.0
161.04556	6.5
161.05933	1.8
163.04013	14.1
165.01889	1.7
165.05571	44.4
173.04620	2.7
191.05658	13.0
225.14966	3.4
243.77454	1.9
300.50510	1.7
307.08270	22.7
318.88916	1.8
387.20551	5.9
435.22192	2.4
460.16302	1.8
497.24829	17.0
497.73715	3.5
519.24536	73.9
521.16656	43.4
521.25220	18.9
557.22180	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38581	0.9
53.19696	0.7
59.01387	1.5
61.62580	0.9
61.79240	0.8
61.98837	100.0
63.30642	0.8
63.96526	0.9
76.01553	0.8
79.79508	0.8
84.00925	1.1
92.10108	2.0
95.65634	0.9
104.16768	0.9
126.65118	1.1
156.81998	1.0
193.32880	1.2
255.70392	1.0
277.21777	1.4
352.49756	1.1
471.35049	15.7
474.35736	1.6
490.97577	1.3
512.61829	1.3
556.32660	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62645	0.7
58.00617	2.0
59.01395	100.0
61.60900	0.7
61.98846	6.4
63.15869	0.7
65.29615	0.8
66.25895	0.8
69.03476	0.8
71.01395	4.8
72.99318	1.9
73.02948	1.0
73.78337	0.8
85.02967	1.9
87.00892	47.5
89.02475	8.2
96.96026	16.9
99.00904	1.5
101.02454	4.6
103.00382	42.0
115.23967	0.9
116.92872	1.4
117.08862	0.8
121.02965	77.8
126.96590	0.9
130.99873	35.0
131.03522	1.0
134.03737	5.8
147.04532	2.1
149.04532	1.6
153.01881	1.8
160.01645	6.4
165.01826	1.6
170.26855	0.8
175.03996	7.2
176.04631	1.1
191.05647	11.5
191.07164	1.7
193.05052	3.9
195.06708	1.1
252.88231	0.9
253.03587	60.3
278.44540	1.0
312.07578	0.9
316.64926	0.9
401.02386	1.2
411.69690	0.9
496.55630	1.1
505.01123	1.1
519.17133	5.8
519.24323	1.0
521.17303	1.3
557.24011	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	556.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.87078	0.9
84.00941	1.8
160.56461	1.4
173.19868	1.0
176.55878	1.1
212.00043	1.1
259.12943	1.3
328.73413	1.1
407.33194	6.8
409.30957	1.3
411.32761	2.5
471.34940	21.2
556.32587	97.4
557.32813	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	556.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54061	0.6
61.98836	100.0
76.06844	0.6
77.17886	0.6
82.43560	0.7
82.95409	2.7
84.00908	2.8
92.10874	1.2
106.83617	0.7
139.71793	0.7
187.72888	0.7
334.10162	0.7
441.33765	11.1
442.34055	1.2
471.34857	1.1
526.31165	1.0
556.32593	59.5
557.33392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.52778	1.0
73.54189	1.0
84.00906	1.4
90.36509	1.0
92.10169	2.5
94.28825	1.1
101.18047	1.0
121.87930	1.1
141.79065	1.0
168.15399	1.0
169.05925	1.1
170.49861	1.0
262.53711	1.3
263.27795	1.1
396.09860	1.1
407.33188	2.3
451.32501	1.8
453.33908	8.4
471.34985	8.7
537.69873	1.2
556.32568	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.6
61.98843	9.0
67.74768	1.9
71.01401	2.2
73.04852	2.2
79.02399	1.9
83.57923	2.2
85.47307	2.0
92.10105	8.0
94.71950	1.8
128.03653	2.0
190.17743	2.4
233.41678	2.2
253.09225	12.3
277.21799	100.0
524.81580	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	556.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.6
61.98857	1.2
71.01394	1.9
73.02950	1.0
89.02448	3.2
92.10190	1.1
92.20270	0.7
92.65538	0.9
100.32066	0.9
101.02426	1.8
104.81455	0.8
113.02477	1.3
119.03501	1.1
170.84285	0.9
247.07071	0.8
253.09314	12.7
258.27124	1.0
277.21747	100.0
574.34772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86027	0.8
57.03464	6.8
60.99289	1.2
61.98836	100.0
65.36908	1.1
65.37307	0.9
84.00900	4.8
89.08852	0.9
97.06572	1.3
101.02419	0.9
105.50249	0.9
106.52348	0.9
225.38879	0.9
407.33084	2.2
441.33710	2.1
453.33667	10.2
454.34116	2.1
471.34854	18.0
472.34433	1.0
473.35535	1.5
474.36768	12.6
555.36322	1.4
556.32324	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24780	0.3
58.00599	0.4
59.01386	100.0
61.98821	2.9
71.01401	3.9
73.02946	0.9
81.03481	0.6
81.20154	0.4
81.59014	0.4
85.02954	5.4
87.00858	0.5
88.98816	1.6
89.02449	2.8
92.10813	0.8
96.96039	0.4
97.02959	0.8
101.02431	3.9
111.00459	0.4
112.21008	0.4
112.83455	0.4
113.02461	0.7
117.03476	0.5
119.03509	0.6
119.45515	0.4
122.39803	0.5
134.03766	2.2
135.04539	4.5
145.02988	0.6
161.02480	1.7
161.10387	0.4
175.04022	1.6
179.03452	3.2
191.05655	0.7
193.05072	0.8
276.06802	0.4
349.23834	4.6
443.29541	0.5
463.95163	0.5
495.29749	38.6
519.24475	0.5
555.21503	2.2
555.30286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87782	30.4
59.01391	100.0
61.98837	44.4
89.90186	40.9
100.76811	41.3
118.20541	37.8
136.25255	39.0
155.78479	40.8
169.48196	42.4
217.00311	96.7
221.02837	41.2
513.28809	87.8
580.59503	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.86085	0.9
61.98831	9.5
76.57668	1.2
77.67378	1.0
81.95200	1.0
163.25371	1.3
189.36526	1.2
192.41341	1.1
356.08221	1.2
473.35892	2.8
495.27771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43834	0.3
55.01883	0.3
59.01386	100.0
61.98834	0.4
71.01385	5.6
73.02951	1.3
81.81499	0.2
83.01392	0.4
85.02943	3.0
87.49612	0.2
89.02470	0.5
90.67071	0.3
95.01395	0.3
96.95998	0.4
99.00870	0.5
101.02433	3.8
113.02445	2.4
124.77781	0.3
159.03040	0.4
160.63124	0.3
161.04575	4.1
196.83344	0.3
262.91928	0.3
269.63293	0.4
333.24487	1.0
360.03986	0.3
495.29755	11.2
555.32159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90487	0.9
53.70763	1.2
54.67184	1.1
55.78062	1.2
59.01385	100.0
61.92934	1.2
61.98832	2.5
71.01384	2.6
73.02938	1.6
73.55924	1.6
85.02987	1.8
85.65913	1.3
333.24417	7.6
495.29144	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	555.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.7
59.01374	1.0
61.98846	1.3
63.00055	0.5
63.96258	0.7
69.03462	0.7
69.51433	0.6
71.01399	10.0
73.02963	1.4
78.98589	7.0
79.95737	11.0
80.96528	85.9
82.95445	1.2
83.01443	0.7
85.02985	5.0
87.00902	4.1
89.15966	0.6
92.86787	0.7
94.98085	17.6
96.95970	0.8
97.02944	1.1
101.02459	2.8
106.98100	4.7
122.97593	3.2
125.02456	3.7
125.09724	6.4
134.97597	6.7
136.99132	1.1
138.00803	0.5
148.99170	7.7
152.98636	7.8
164.98628	14.1
173.83583	0.6
187.09782	2.3
206.99680	3.7
225.00755	18.7
239.03183	0.6
255.23216	4.7
259.66107	0.6
299.04324	4.9
313.23914	1.3
349.38354	0.6
369.36438	0.6
483.33310	5.4
555.28528	100.0
556.28864	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	555.2848
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01389	4.2
61.98857	0.6
63.06916	0.3
69.03465	0.5
69.31969	0.5
71.01386	7.0
73.02959	2.5
77.90289	0.4
78.95930	1.8
78.98604	6.6
79.95750	9.6
80.96528	74.7
81.03484	1.6
83.01440	0.4
85.02965	3.7
87.00887	3.3
90.63094	0.4
94.98094	17.0
96.96029	0.8
97.02946	2.3
99.00875	0.5
101.02483	3.3
106.98112	4.2
122.97579	5.4
125.02458	3.7
127.03984	0.8
134.97601	6.6
136.99184	1.9
138.53378	0.4
146.97604	0.5
148.99142	7.6
152.98628	7.7
152.99719	0.6
164.98633	13.2
182.99673	1.6
187.27103	0.5
206.99788	3.3
224.06924	0.5
225.00800	17.0
255.23317	10.9
256.23718	6.3
268.35590	0.5
299.04489	3.3
348.45334	0.5
363.10999	0.4
411.33130	0.6
453.12869	0.4
455.31927	0.6
480.31241	2.6
481.31531	6.4
481.38077	0.8
555.28534	100.0
556.28552	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	554.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.8
61.98839	1.6
71.01389	0.3
78.95904	16.7
80.96497	2.1
88.55916	0.2
103.30400	0.2
112.46858	0.2
122.98472	0.4
128.35420	0.2
152.99596	2.6
164.98589	0.3
168.04312	3.3
224.06984	8.0
225.00789	0.3
232.67271	0.3
242.08040	1.1
255.23338	100.0
256.23688	0.6
298.71802	0.3
460.28665	0.3
480.31049	48.8
481.31454	0.4
555.28436	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25821	7.3
54.82567	9.8
59.01391	100.0
61.98847	98.9
71.01382	14.7
73.02978	9.3
94.97988	9.2
101.02454	11.9
142.13896	9.6
169.18880	9.2
189.24574	9.3
199.00143	9.1
555.27557	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	555.2788
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
59.50059	0.5
67.02766	0.6
92.10143	0.6
92.36170	0.6
99.92595	33.7
100.93366	9.1
104.21593	0.6
109.62484	0.6
115.92084	66.7
116.92877	2.5
122.39345	0.6
125.45359	0.6
129.01053	0.6
229.53737	0.7
267.12375	0.6
276.91440	0.6
320.51709	0.7
386.82935	0.6
396.35510	0.7
455.35449	2.1
455.42865	0.5
456.35675	1.4
457.35849	1.2
537.26898	0.9
555.27930	100.0
556.28491	3.8
569.25769	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	555.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23394	0.3
53.22326	0.3
54.68528	0.2
85.74318	0.3
99.92583	21.6
100.90514	0.3
100.93353	9.5
104.30987	0.3
113.01884	0.3
113.92606	0.3
115.92074	100.0
116.92073	0.6
116.92860	4.0
117.92421	0.3
127.80167	0.3
132.92313	0.7
145.09740	0.3
198.46266	0.3
250.30215	0.3
277.21786	7.6
455.35629	0.6
482.55292	0.3
527.09363	0.3
537.26971	0.6
555.27911	43.1
556.28192	0.7
569.25745	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	553.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52159	0.5
59.01386	20.8
60.99311	4.2
61.98837	4.2
69.03451	1.1
69.28182	0.6
71.04969	0.6
74.21690	0.5
80.02686	1.2
92.10208	0.7
92.64814	0.6
99.00648	10.2
116.29018	0.5
123.61097	0.5
137.09720	1.4
142.99658	0.7
149.09767	0.8
160.57567	0.6
335.39099	0.6
375.26917	2.4
377.28650	1.3
391.30197	14.4
393.31601	1.1
405.31815	2.4
407.33261	100.0
408.33426	1.0
409.34891	5.5
423.33191	0.8
427.35965	8.7
437.30811	0.9
441.33777	3.1
445.30124	0.7
453.34003	5.4
471.35010	10.6
485.32846	1.3
491.34961	4.1
535.34045	1.2
553.35223	71.5
554.35687	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48615	1.4
61.98838	48.8
68.18938	1.4
78.70980	1.4
78.95924	8.4
125.86960	1.8
151.08777	1.6
180.48311	1.4
185.52727	1.3
279.23346	100.0
312.27072	1.5
469.33298	1.9
472.35214	8.3
504.31125	28.2
554.31055	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	554.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31451	1.1
61.98842	100.0
76.13792	1.3
76.36386	1.3
80.96513	1.9
84.00932	12.1
121.54948	1.4
144.10559	1.4
153.57750	1.3
156.16078	1.5
163.18079	1.4
165.51778	1.7
219.96875	1.6
226.09840	1.8
284.27768	1.6
393.27869	1.7
400.85828	1.5
407.29395	2.9
423.32739	55.1
424.32657	1.8
425.34055	1.9
440.85419	1.5
469.33344	26.3
472.35147	12.6
554.30957	80.5
555.28558	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	553.352
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01390	1.1
60.99309	0.8
61.98824	3.8
68.02190	0.7
71.01404	0.6
72.02171	0.6
74.25704	0.5
83.05048	3.6
97.06593	0.9
102.78825	0.5
115.00386	0.9
208.30595	0.6
213.61905	0.7
270.59860	0.6
301.07367	0.5
311.12244	0.6
391.30307	3.1
397.31363	0.7
399.32990	1.3
407.28329	0.9
407.33298	20.3
409.31113	5.2
411.32681	8.8
417.38654	0.7
423.32639	1.2
425.34293	6.6
427.36261	5.5
429.29562	0.9
441.33838	0.8
451.32346	0.7
453.33795	2.1
454.99203	0.6
471.34885	100.0
472.34991	1.0
473.32666	5.6
553.35229	73.8
554.35687	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	553.3522
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01392	0.8
60.21001	0.4
61.98838	3.5
62.05748	0.4
68.99596	0.7
74.57531	0.4
87.38938	0.4
92.10105	0.6
471.34863	100.0
472.35733	0.8
553.35217	50.4
554.35583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54473	0.5
55.29159	0.5
57.97210	0.6
59.01391	1.3
61.98846	5.3
68.99578	1.0
80.96553	0.9
82.95371	0.6
83.80653	0.6
87.62837	0.6
96.95998	1.1
112.98590	1.2
137.74008	0.8
151.92163	0.7
166.76669	0.7
171.25040	0.7
179.34035	0.7
247.01711	0.7
277.10495	0.8
423.32874	1.2
430.64191	0.7
471.34891	100.0
472.34860	0.9
553.35217	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84976	0.7
57.78449	0.7
59.01385	0.9
60.99304	0.8
61.52792	0.6
61.98832	12.8
71.01327	0.8
71.05041	0.8
77.86619	0.7
85.89507	0.9
87.97605	0.7
97.05996	1.1
97.06562	8.1
97.63142	0.8
129.66899	0.9
133.14958	0.8
150.93265	0.8
156.04863	0.8
165.75876	0.8
197.33794	0.8
267.53403	0.8
324.46622	0.9
337.39188	0.8
380.63272	0.9
389.28775	1.2
391.30267	8.0
405.31863	8.0
407.33273	14.7
411.32669	1.4
420.19308	0.8
423.28787	0.9
425.34363	1.7
451.32254	16.4
453.33850	68.0
454.33911	0.9
455.32016	1.1
471.34869	97.5
472.35046	1.5
553.35211	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	553.3522
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01376	1.0
61.98823	3.1
62.98351	0.5
65.44018	0.5
68.29741	0.5
72.95409	0.5
73.58904	0.5
78.95895	1.3
109.80543	0.5
114.61286	0.5
116.92839	2.4
135.65398	0.5
177.25563	0.6
186.30185	0.6
237.97395	0.5
276.59274	0.5
279.23288	3.5
365.51636	0.6
393.31711	0.8
471.34866	100.0
472.35187	3.1
504.31085	2.6
553.35217	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.3
60.99308	2.1
61.98837	3.9
80.91707	0.8
80.96540	0.6
97.06585	3.2
119.53782	0.6
130.07430	0.5
276.80963	0.6
389.28659	0.7
391.30112	5.3
405.31757	4.9
407.33224	11.8
427.32397	1.3
437.30606	0.8
439.32520	1.1
441.33795	48.0
451.32172	10.8
453.33795	46.0
453.40250	1.0
454.34061	1.0
471.34869	65.1
507.31171	0.6
523.34241	2.1
553.35193	100.0
554.35266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61899	0.4
58.03156	0.5
59.01307	1.5
59.01562	0.5
60.99223	0.7
61.98731	3.9
75.80682	0.4
87.76933	0.5
90.62403	0.5
96.95903	0.6
97.06496	0.4
108.37813	0.5
109.22727	0.5
407.33420	2.9
409.31113	4.1
427.32111	1.8
441.34033	0.7
455.24438	0.6
457.33295	2.0
471.34933	100.0
472.35394	2.6
493.39188	1.9
530.66315	0.6
553.35400	54.1
554.35822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.352
Annotation	Muscanone
Peak:m/z	Relative Intensity
53.05629	0.5
54.82892	0.5
59.01374	0.8
61.98834	4.9
64.34585	0.7
69.78770	0.7
79.57796	0.7
80.91687	2.7
113.25170	0.6
116.02039	0.6
138.83910	0.8
183.75270	0.6
311.44412	0.8
441.33841	100.0
442.33945	1.1
471.34863	41.0
475.73007	0.7
553.35217	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56562	80.4
61.98837	94.0
62.80454	57.6
76.58006	69.4
114.63356	71.7
124.80549	70.0
134.37604	69.8
161.91118	88.7
280.94928	80.4
326.66830	79.5
375.10309	92.0
471.34665	99.8
553.34381	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	553.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76850	0.4
59.01392	100.0
60.01700	0.4
61.98839	4.7
69.74815	0.5
209.64896	0.4
282.46927	0.4
401.34131	0.7
490.04044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43488	10.5
59.01389	66.9
59.39669	10.5
61.98834	100.0
70.20382	12.2
73.52633	13.4
77.58381	14.9
81.65366	12.6
87.81595	12.6
102.98515	14.0
109.02615	14.8
184.01466	12.7
227.12917	13.8
416.21802	13.9
517.31500	19.3
584.97229	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	553.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78623	0.3
55.01881	0.6
56.98466	0.3
57.03450	0.3
59.01384	100.0
61.98835	0.5
65.73735	0.2
71.01377	5.3
73.02948	1.6
73.22768	0.3
80.48945	0.2
83.01407	0.6
85.02959	2.9
86.71130	0.3
89.02446	0.5
92.10145	0.7
99.00883	0.4
101.02445	3.7
113.02440	2.1
115.66345	0.3
128.85371	0.3
145.68633	0.3
150.26520	0.3
159.02982	0.3
161.04562	3.2
167.46562	0.3
179.03583	0.3
191.05566	0.5
210.82199	0.3
222.88521	0.3
331.23157	0.4
338.52118	0.3
340.63568	0.3
370.54471	0.3
416.91040	0.4
493.28009	7.0
539.02307	0.3
553.30035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.1
57.03455	0.8
58.00594	0.3
59.01389	100.0
61.98835	1.4
71.01389	12.7
73.02949	3.6
75.43692	0.3
77.01278	0.3
83.01402	2.5
85.02968	8.2
87.00877	0.7
87.58939	0.3
89.02456	3.4
92.10779	1.4
95.01407	1.3
99.00880	1.6
101.02452	10.1
113.02457	6.0
119.03500	0.4
159.02980	0.7
161.04575	5.7
165.52902	0.4
329.21301	0.8
331.22885	1.8
493.28125	24.1
553.30414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78623	0.3
55.01881	0.6
56.98466	0.3
57.03450	0.3
59.01384	100.0
61.98835	0.5
65.73735	0.2
71.01377	5.3
73.02948	1.6
73.22768	0.3
80.48945	0.2
83.01407	0.6
85.02959	2.9
86.71130	0.3
89.02446	0.5
92.10145	0.7
99.00883	0.4
101.02445	3.7
113.02440	2.1
115.66345	0.3
128.85371	0.3
145.68633	0.3
150.26520	0.3
159.02982	0.3
161.04562	3.2
167.46562	0.3
179.03583	0.3
191.05566	0.5
210.82199	0.3
222.88521	0.3
331.23157	0.4
338.52118	0.3
340.63568	0.3
370.54471	0.3
416.91040	0.4
493.28009	7.0
539.02307	0.3
553.30035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98028	67.8
54.09444	66.5
59.97054	85.0
66.24981	71.8
137.22279	74.8
235.05467	81.6
251.96788	87.7
326.67596	81.8
576.43219	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	553.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	1.0
59.01389	20.7
59.60312	0.6
61.98833	1.8
69.03487	0.9
71.01397	19.4
72.99346	1.0
73.02971	6.3
85.02989	3.7
89.02457	33.7
92.10767	1.0
97.02953	1.9
99.00892	13.6
99.46083	0.7
101.02459	10.3
113.02485	4.2
114.46290	0.8
115.03988	1.0
119.03519	1.3
125.02443	4.3
131.03514	2.1
132.02188	2.0
133.35692	0.8
134.03752	15.7
138.06854	1.1
143.03474	0.9
149.04596	6.2
149.06125	1.4
151.07687	1.8
152.08453	7.7
153.09248	6.5
159.04495	1.0
160.01678	16.7
161.04582	1.0
163.11244	1.2
175.04033	21.2
176.04805	1.7
191.05658	4.9
191.07207	1.1
193.05110	14.0
205.12352	13.4
233.06754	1.7
233.27853	0.8
235.06172	5.2
262.23538	0.8
265.07144	1.1
272.07208	0.9
293.08844	4.7
295.08395	1.2
297.23688	0.9
385.18427	2.8
470.76999	0.9
517.15741	20.5
517.23065	100.0
518.16211	1.3
518.23230	1.0
553.20764	66.4
554.20282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.2
60.99337	1.6
61.98826	1.6
63.96255	1.9
64.47679	1.3
65.99827	1.0
71.01376	16.2
72.99324	2.4
73.02954	4.7
85.02960	2.6
87.00834	1.3
88.98814	8.0
89.02440	19.3
92.10123	2.9
93.02861	2.5
93.03452	71.7
96.96026	1.9
99.00896	2.5
101.02431	10.4
113.02435	2.2
117.97381	1.9
124.30043	1.3
131.03497	4.6
134.85846	1.4
135.04514	1.3
135.98404	5.7
137.02449	100.0
149.04567	9.8
160.67610	1.2
161.02051	1.2
161.04590	1.6
163.11215	3.8
175.04135	1.2
175.11308	1.8
191.05627	6.0
205.12355	5.6
205.86757	1.3
233.06711	2.7
293.08810	22.3
308.65057	1.7
353.10953	5.3
493.22998	5.2
499.22186	2.1
553.20557	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64290	1.4
56.35183	1.3
59.01392	35.6
61.98841	100.0
63.96257	9.4
71.01395	28.1
72.99329	9.4
73.02964	9.3
73.98345	1.7
74.99127	3.3
78.78709	1.4
84.84670	1.6
85.02989	6.5
87.00908	1.6
88.98815	2.7
89.02451	41.4
93.03480	2.8
93.87383	1.5
95.01421	1.5
96.96052	7.3
97.02976	2.0
99.00881	10.8
101.02460	16.6
113.02457	6.4
117.74852	1.4
117.97336	7.7
121.02920	1.9
125.02454	2.9
125.56348	1.7
131.03572	6.9
134.03731	10.4
135.52408	1.6
135.98380	21.3
137.02446	6.9
149.04555	17.7
149.06070	6.6
152.04831	3.4
153.05592	2.2
155.10825	6.2
161.04558	3.2
165.05699	2.5
179.05644	1.7
182.02205	2.3
191.05667	16.8
193.05095	1.8
197.04637	2.7
221.06691	3.6
251.07732	8.1
293.08810	8.1
311.09875	3.6
341.08939	4.0
420.34409	1.9
491.15912	3.0
493.22638	8.3
509.16412	3.7
517.22894	5.9
553.20581	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27315	0.1
54.82816	0.1
59.01379	0.3
64.34722	0.1
65.03956	0.3
70.95887	0.1
71.01379	0.2
72.27164	0.1
89.02437	0.1
93.03460	77.1
94.03790	0.5
101.02473	0.2
134.03734	0.7
135.00981	0.2
136.01671	0.7
137.02457	100.0
138.02803	0.5
148.01633	0.1
149.06104	0.5
151.04034	0.5
153.02051	0.1
153.05573	0.1
163.03976	0.2
166.02768	0.2
170.16127	0.1
181.05083	0.5
197.04556	0.3
211.06184	0.2
218.82039	0.1
260.07913	0.1
273.15128	0.1
327.07263	0.2
341.08908	0.5
535.14655	0.2
553.15363	0.2
553.23407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2064
Annotation	Physalin V
Peak:m/z	Relative Intensity
53.84858	4.7
56.14273	4.5
56.20369	3.7
59.01383	59.2
60.99323	6.6
61.98860	4.4
69.56181	4.5
71.01379	38.2
73.02959	16.9
85.02963	9.4
88.98807	41.9
89.02443	67.6
91.28949	4.3
93.03432	5.5
96.95980	4.6
99.00883	18.5
99.63646	5.2
101.02474	26.2
113.02459	5.0
116.92867	6.9
135.04565	7.8
143.03552	4.8
149.04552	24.7
173.04495	7.7
176.36295	4.1
179.03575	5.2
191.05641	45.2
249.01466	4.7
293.08710	7.3
328.62506	5.2
361.15521	5.9
493.22659	9.2
515.11682	6.5
517.23096	58.6
553.21057	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	553.2068
Annotation	Physalin V
Peak:m/z	Relative Intensity
52.88036	1.2
54.83406	1.1
59.01387	42.9
61.98834	36.6
71.01385	31.2
72.99297	1.7
73.02962	9.1
85.02966	3.3
89.02442	74.9
89.38581	1.3
96.95985	1.5
97.02958	1.4
99.00874	18.7
101.02436	26.7
108.12931	1.3
113.02396	2.6
119.03514	1.9
125.02499	1.5
129.55605	1.6
130.84177	1.2
131.03508	8.6
135.98320	2.3
149.04576	48.9
160.01665	1.5
161.04584	2.4
168.54175	1.4
191.05621	14.5
206.69286	1.4
220.04379	1.4
221.06725	11.1
233.84421	1.4
251.07799	12.9
257.13379	1.4
293.08762	6.8
311.09949	21.1
380.55615	1.4
450.52594	1.4
451.81311	1.7
493.23022	2.0
517.22961	3.2
553.20703	100.0
554.21082	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	553.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33382	0.5
54.61519	0.5
56.07338	0.5
58.59865	0.6
59.01393	1.1
71.01403	1.5
71.93105	0.7
73.02958	1.3
86.27055	0.6
89.02449	1.3
94.33526	0.6
96.96019	10.0
96.96998	0.7
97.00577	0.7
99.92606	6.1
114.93391	5.1
116.92870	100.0
116.97281	3.7
117.01947	2.6
157.64789	0.6
191.05641	1.3
452.49777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.6
59.76769	1.1
61.98832	9.3
64.53576	1.0
65.63774	1.0
71.01374	15.9
73.02943	63.8
73.03356	2.2
83.05051	1.4
90.26103	1.2
131.07158	1.8
157.22514	1.2
213.13470	1.3
359.29178	1.7
439.31982	2.1
461.36407	7.0
467.95389	1.3
469.33286	100.0
491.37558	2.7
551.33728	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69145	0.1
59.01386	4.6
60.01715	0.7
61.01822	0.3
61.98837	100.0
69.88641	0.1
71.01392	0.3
83.10388	0.1
83.68937	0.2
84.02203	0.1
85.02966	0.9
85.93059	0.1
86.03309	0.2
87.84650	0.1
89.02450	0.3
89.39223	0.1
101.02401	0.3
107.10713	0.2
113.02464	0.2
128.44252	0.1
129.38623	0.2
136.67422	0.2
208.42883	0.2
328.19965	0.8
329.20325	0.6
330.20401	0.2
420.90103	0.2
483.50012	0.2
491.25864	0.2
492.26059	0.6
551.32697	0.2
552.33209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49868	0.2
55.85531	0.2
60.05541	0.2
61.98834	100.0
77.03551	0.3
90.15422	0.3
95.13860	0.3
101.53169	0.2
160.01712	1.0
169.88168	0.3
175.03929	1.6
181.17224	0.3
346.43039	0.3
387.79269	0.3
396.34534	0.3
408.57166	0.3
433.31662	0.3
443.76569	0.3
469.32983	0.3
470.33621	1.8
489.28665	1.3
552.33929	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	551.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53703	0.4
55.38139	0.4
55.91208	0.4
58.80230	0.4
59.00341	0.5
59.01388	1.1
59.03819	0.5
61.98841	8.3
66.26606	0.5
78.91898	0.9
91.91582	0.6
95.20245	0.5
156.51903	0.5
181.94034	0.5
192.19547	0.6
208.47647	0.5
214.08093	0.6
228.53777	0.6
231.46123	0.5
400.98111	0.5
405.31863	0.9
423.32443	1.1
461.36191	0.8
469.33304	100.0
470.33789	2.7
551.33679	44.3
552.33936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45384	0.3
53.52478	0.3
59.01386	17.0
61.98817	0.3
67.75198	0.3
71.01386	2.1
73.02945	0.7
78.91883	3.8
83.01384	0.4
85.02961	0.4
89.02457	2.9
101.02425	2.5
113.02453	1.2
119.03463	0.7
120.55901	0.3
123.62838	0.3
143.03523	0.3
155.30721	0.4
161.04607	0.7
191.34958	0.3
235.08282	1.3
253.09322	7.6
255.23332	100.0
256.23654	1.1
261.16879	0.4
284.87015	0.3
317.13034	0.3
323.27032	0.3
326.55838	0.3
367.97540	0.4
455.31754	0.7
469.33432	4.9
491.31949	0.5
551.33472	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	551.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.2
61.98845	1.8
71.01376	2.7
73.02959	0.5
83.01417	0.3
85.02951	1.1
88.98802	0.3
89.02452	1.6
91.03925	0.3
92.24380	0.2
98.45902	0.3
101.02422	2.5
113.02464	1.1
119.03470	0.4
161.04585	1.4
235.08214	2.1
237.12006	0.3
253.09308	9.1
255.23326	100.0
256.23743	0.6
257.75128	0.3
291.54291	0.3
321.80972	0.3
385.47897	0.3
453.33917	0.4
469.33743	1.1
491.32242	1.3
547.90308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.3
61.98837	9.6
62.23681	0.6
65.00638	0.7
78.85207	0.8
83.41543	0.8
96.35432	0.8
96.96034	1.4
99.92623	0.9
116.92866	4.9
117.92898	1.3
118.92689	1.7
150.25304	0.8
153.38907	0.8
197.61955	0.8
368.03815	1.0
425.34293	0.9
456.29462	0.8
457.33279	1.3
461.36337	1.6
469.33286	100.0
551.33698	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70245	0.7
57.47365	0.8
59.01391	1.2
61.98835	3.7
67.42094	0.7
75.85070	0.8
92.10831	2.2
114.44850	0.9
133.02884	0.9
135.04495	0.9
136.78940	0.9
163.86696	0.8
267.85361	0.8
315.22107	0.8
393.27975	1.9
405.31686	1.0
407.29605	4.6
409.31036	4.9
421.31195	1.1
423.32788	94.0
425.34238	10.0
469.33310	100.0
551.33679	58.9
579.83191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91210	1.1
53.33109	1.0
59.01392	6.9
61.98839	9.3
82.11472	1.2
91.96972	1.1
103.30173	1.2
116.92818	2.1
117.92899	1.3
125.80302	1.3
145.03078	1.6
170.58920	1.2
179.65593	1.2
425.34106	2.1
457.33234	1.9
469.33301	100.0
479.52002	1.4
551.33685	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	551.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
56.53922	0.3
57.03456	0.7
58.00620	0.3
59.01390	100.0
59.24726	0.3
61.55579	0.3
62.76502	0.3
64.41859	0.3
71.01392	7.5
73.02974	1.5
83.01407	1.1
83.65163	0.3
85.02963	3.7
89.02467	3.4
92.10783	1.0
95.01420	0.6
95.05051	0.4
99.00890	0.6
101.02446	6.8
105.20842	0.3
106.80321	0.4
109.02982	0.4
113.02463	4.1
119.03526	1.3
123.08173	36.1
153.02020	0.4
153.30687	0.3
161.04575	4.1
163.49525	0.3
165.65524	0.3
193.12274	0.4
227.11279	0.3
257.08261	0.3
327.19421	0.7
329.21283	9.3
355.71808	0.3
367.17743	1.4
491.26614	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28902	4.2
59.01378	10.0
59.75810	4.7
61.98838	100.0
67.26665	4.6
96.10002	4.7
180.79568	4.7
184.96043	5.5
191.37033	5.3
197.89059	5.4
279.23251	6.6
469.33243	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	551.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63248	3.4
57.46407	3.6
59.01384	8.7
61.98828	8.3
67.34828	3.7
79.45137	4.0
109.50982	4.7
110.80956	4.2
136.70605	4.1
153.62242	3.6
204.21896	4.1
279.23431	5.2
423.32608	40.4
437.30627	8.9
468.99213	4.8
469.33466	100.0
551.33765	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3236
Annotation	Sanjoinine G1
Peak:m/z	Relative Intensity
52.59175	1.2
54.82684	1.3
55.01887	6.3
57.03461	5.8
58.00615	5.0
59.01388	59.3
61.98820	1.7
69.03474	1.4
71.01385	33.3
71.05040	1.7
72.12963	1.1
72.99320	3.0
73.02946	19.6
79.75584	1.2
81.03456	19.7
83.01389	13.4
83.05023	14.5
85.02958	49.4
86.00111	3.2
87.00896	2.5
87.04504	1.7
88.01667	5.2
89.02455	8.1
91.08134	1.3
95.01377	2.2
97.02984	3.1
99.00887	8.2
99.04523	15.1
101.02448	17.9
101.06061	2.4
103.04008	2.8
108.02220	1.4
109.02966	22.0
113.02454	8.2
122.63201	1.5
125.02482	1.6
126.03188	2.3
127.04023	38.2
144.04366	1.5
145.05086	7.9
161.04575	5.2
209.80739	1.4
271.20642	1.9
291.23352	5.4
329.21313	2.3
331.22916	1.7
349.23907	28.1
373.24030	9.4
402.59760	1.6
477.28180	2.2
491.26614	39.3
495.29642	2.9
509.31351	100.0
510.31970	1.8
523.32996	5.2
533.31342	77.0
551.32446	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.0
60.04709	0.6
61.98836	100.0
80.51065	0.7
99.04455	0.8
100.15785	0.8
140.25516	0.7
267.59625	0.7
439.33310	0.9
469.33319	1.0
491.37473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82687	7.9
55.39194	7.1
56.90447	7.9
59.01385	83.6
61.98830	64.2
107.29508	7.3
121.02975	100.0
122.03288	32.4
128.51178	7.4
160.56007	7.2
165.01979	16.8
166.02299	10.0
222.86679	7.5
224.77155	7.4
285.25189	9.1
441.19812	8.7
551.11359	18.5
551.30176	9.1
563.55090	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	551.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	100.0
61.45831	17.3
76.02751	15.4
94.10833	17.9
104.74462	18.0
246.31299	20.6
425.08496	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	551.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	100.0
61.98843	74.4
71.89278	5.8
77.21827	4.9
77.74970	5.7
83.45386	5.1
85.39648	5.1
96.65283	4.9
115.17055	5.4
118.63813	5.1
175.46439	5.3
192.70862	6.2
305.10693	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	551.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40432	5.6
59.01392	100.0
61.98834	15.8
62.77985	6.7
67.98575	7.5
111.12258	6.1
191.05597	7.7
253.77307	7.7
301.27789	7.1
443.32083	9.3
491.37341	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	551.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82959	12.2
59.01391	100.0
61.98847	34.0
74.33562	8.5
89.52951	8.8
99.19220	9.3
104.45344	7.3
182.98613	9.3
221.11288	8.6
271.18533	9.2
302.23557	9.2
389.19336	9.9
451.37820	9.2
515.31342	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	551.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82364	11.2
55.76134	13.9
59.01390	100.0
67.59666	13.8
75.92995	14.6
92.10171	29.5
116.90594	13.6
118.77913	12.3
123.76135	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	551.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.7
56.71177	1.8
57.03459	8.4
59.01385	100.0
61.98837	10.2
69.46310	1.7
71.01382	61.0
72.99307	13.4
73.02944	25.7
74.99093	9.0
83.01414	11.1
85.02960	20.3
87.00883	7.6
88.98833	3.3
89.02443	76.1
92.10167	4.0
93.03468	10.4
95.01413	3.2
96.96010	15.8
97.03005	2.9
99.00884	39.4
99.04510	3.1
101.02433	43.3
102.07951	1.7
109.02935	3.0
111.00901	7.3
113.02467	14.2
119.03511	7.1
119.05027	4.2
121.02943	17.1
123.04571	3.2
123.08136	2.9
125.02460	4.4
131.03506	9.4
132.02226	2.3
133.02969	9.3
134.03696	12.9
135.04527	11.8
135.98325	2.5
137.02455	7.9
137.09641	1.9
139.07671	2.1
143.03548	2.1
147.04526	7.6
149.02493	2.0
149.04555	18.4
149.06085	3.2
150.03275	7.4
151.03957	3.2
155.10753	2.7
157.08705	22.7
160.01656	10.6
160.82452	1.6
161.02495	20.2
161.04576	10.1
163.04005	3.4
164.04781	37.2
165.05554	15.3
173.04588	3.2
175.03998	17.4
176.04851	2.7
177.05649	2.4
178.02719	2.1
179.03510	7.9
179.07167	18.2
179.10814	2.1
191.03537	13.6
191.05641	23.6
191.07184	4.8
193.05103	17.3
194.05751	3.4
195.06635	3.4
197.11790	2.3
205.05074	2.9
209.04526	4.3
233.04645	2.1
235.06129	8.0
323.07928	3.0
327.08353	2.0
359.17294	2.3
377.18127	3.1
389.12418	3.4
411.15036	10.2
451.18167	8.2
459.35672	2.2
467.12137	4.3
485.12692	2.0
491.21094	37.3
509.22479	6.4
515.13910	10.4
515.21741	2.3
551.24359	74.9
552.23260	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	551.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.2
64.34510	4.5
65.21505	5.4
85.02966	27.3
86.12930	5.8
90.21466	5.7
92.10240	8.9
97.02939	22.7
162.55380	5.5
193.53203	5.5
313.99396	6.5
383.50354	6.0
549.25287	8.7
550.31421	11.8
551.31360	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	551.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15671	0.7
54.82825	0.8
55.01880	3.8
55.08828	0.8
57.03445	1.3
58.00599	1.5
58.83094	0.9
59.01385	67.3
61.98836	22.3
68.99565	1.1
69.03466	2.0
69.70644	0.9
71.01381	48.3
72.99314	6.6
73.02944	21.4
83.01411	4.6
85.02965	15.9
87.00875	4.9
89.02440	61.6
89.26828	0.9
93.03466	1.3
95.01391	4.4
96.96006	10.1
97.02979	2.4
98.95589	7.1
99.00877	34.6
99.04526	1.2
101.02439	36.6
112.76006	1.0
113.02448	16.3
116.92848	1.3
119.03518	8.4
121.02921	3.7
125.02428	6.1
126.12473	1.0
131.03491	6.5
133.02968	1.2
134.03738	1.5
137.02390	1.4
143.03461	1.1
147.04485	1.1
149.02489	2.3
149.04568	8.8
149.05951	1.5
150.03273	2.1
160.01669	2.2
161.04581	5.4
165.05554	2.5
169.12326	1.7
173.04573	1.1
175.04012	2.3
176.04547	1.0
177.04570	1.4
179.10840	1.2
191.05626	14.7
193.05028	5.4
195.13905	13.1
210.17200	1.0
213.14940	7.6
221.06757	1.2
233.06686	1.6
257.27390	1.0
293.08737	1.2
299.07587	1.0
300.76706	1.2
353.10977	12.2
357.19360	1.6
359.17044	1.6
375.20166	10.5
489.23376	1.4
491.21619	39.6
507.24435	18.8
551.23560	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	551.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40794	0.6
51.88216	0.6
53.55087	0.6
55.01896	2.8
56.55505	0.6
57.03452	3.0
58.00610	1.0
59.01385	59.4
61.98830	25.1
63.95579	0.6
67.33890	0.7
67.76184	0.6
69.03452	1.0
71.01380	46.8
72.99321	5.6
73.02938	20.7
83.01393	4.6
85.02948	15.3
87.00878	6.3
89.02442	46.3
89.03005	1.4
93.03479	1.2
95.01379	2.9
96.95999	7.5
97.02961	3.8
98.95620	3.2
99.00876	28.7
101.02440	30.2
112.23238	0.7
112.98595	0.8
113.02455	17.0
115.03974	1.0
119.03513	7.6
125.02447	4.5
131.03525	7.0
133.02870	0.7
134.03734	3.9
135.04518	1.3
137.02438	0.8
137.09727	1.7
143.03506	1.5
149.04597	7.6
149.05611	1.0
150.03223	3.9
155.55966	0.7
160.01614	4.0
161.02010	1.0
161.04547	6.4
163.41655	0.7
165.05576	1.5
169.12331	3.0
175.04008	3.4
176.04529	0.7
177.12755	1.1
178.02744	0.8
179.05643	0.8
191.05602	11.1
193.05118	1.7
195.13919	15.6
201.75607	0.7
208.01872	0.8
213.14928	8.1
221.06703	3.0
233.06604	1.6
235.06039	1.4
293.08960	1.0
349.27237	0.8
353.10913	12.4
359.17145	1.6
375.20352	10.3
389.12949	0.8
389.18088	1.8
489.23215	1.3
491.21744	27.4
501.89514	1.1
507.24557	19.6
551.23572	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	551.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.3
57.03469	1.7
58.00623	1.5
59.01392	60.6
61.98839	2.0
68.13726	1.0
68.99838	0.9
71.01390	31.3
72.99325	2.3
73.02959	5.3
75.00883	1.2
80.12653	0.9
83.01407	5.2
85.02963	14.5
87.00906	4.6
88.98822	1.0
89.02441	17.4
92.65707	1.0
95.01379	1.5
96.96006	23.2
98.15428	0.9
98.95602	2.1
99.00884	4.7
101.02437	18.1
108.02179	25.7
109.02959	6.4
113.02454	9.3
115.03960	1.1
116.92837	1.3
119.03507	5.8
121.21136	1.0
123.04527	13.0
124.32574	0.9
128.93785	0.9
143.03552	1.6
145.03036	1.5
160.01692	4.6
162.47504	1.0
174.03230	1.2
175.04037	5.2
180.04369	1.7
187.03932	6.9
189.05672	1.1
191.05605	1.4
193.05031	1.3
201.05655	1.1
202.06281	4.4
203.07141	4.1
205.04999	1.7
221.08263	1.8
233.08131	7.4
259.79321	1.0
271.06351	1.0
279.06586	1.4
283.06100	5.1
295.06192	2.0
296.06836	1.3
297.07724	4.6
298.08450	1.1
310.08472	2.0
311.09256	1.3
313.07285	2.3
313.10861	1.0
314.07785	3.6
325.10843	6.2
326.08093	1.3
328.09592	12.5
329.10339	19.0
341.10397	8.9
343.11938	24.1
356.12790	2.1
359.11423	6.1
371.15295	2.3
374.13684	15.9
375.14453	4.0
389.16086	37.7
491.21213	2.4
536.19067	2.4
551.21497	100.0
563.09650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46626	0.8
54.82828	1.0
55.01881	1.5
55.93779	0.8
57.03459	1.8
58.00579	3.1
59.01385	100.0
65.52463	1.0
71.01379	46.8
72.99320	4.6
73.02955	1.7
73.74268	0.9
85.02958	10.0
87.00876	2.5
89.02441	62.0
95.01402	3.9
99.00863	1.3
101.02442	26.1
113.02452	24.2
119.03481	24.9
121.02981	1.8
131.03586	1.3
137.02509	1.4
143.03539	6.7
149.04575	2.2
159.04529	1.6
161.04547	7.1
173.06065	2.3
175.04013	8.3
176.04845	1.2
177.05608	1.6
179.05620	10.2
180.04201	1.1
187.03983	5.5
188.04970	1.3
189.05609	1.6
190.06406	1.9
191.05646	1.1
202.06433	1.8
205.05067	6.9
205.08679	1.7
208.07536	1.3
219.06628	2.3
220.07486	8.4
235.09756	4.5
236.66602	1.2
283.09650	1.3
311.09262	10.9
326.11731	4.3
341.14017	2.6
343.42435	1.4
359.15302	1.8
371.15054	27.9
457.07874	1.4
499.45258	1.5
505.26486	7.9
551.20978	5.2
551.30145	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	551.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61995	0.5
55.01911	1.2
57.03452	1.2
58.00608	2.2
59.01392	100.0
59.74337	0.5
60.99321	0.6
61.98845	0.7
62.77522	0.6
71.01388	49.6
72.99318	4.7
73.02962	2.9
82.58751	0.5
83.01418	3.9
83.49646	0.6
85.02956	13.6
86.99857	0.6
87.00893	2.9
88.98829	3.1
89.02446	58.8
92.10104	1.1
93.03472	1.3
95.01404	2.6
96.96027	0.8
97.02948	0.7
98.68829	0.6
99.00916	1.0
101.02441	26.8
101.03090	1.2
108.02157	1.4
109.02988	2.5
113.02457	18.7
119.03500	24.3
121.02986	0.9
122.03799	0.8
123.04518	3.4
131.03499	1.3
133.02983	0.9
134.03737	3.3
134.18410	0.7
135.04538	18.5
136.01685	2.7
137.02396	0.7
138.03207	0.7
139.04022	0.8
143.03523	2.8
147.04509	1.2
149.02467	1.0
149.04562	1.3
149.06102	1.0
151.03954	5.9
156.82964	0.6
159.04572	3.2
160.01770	0.7
160.05316	7.2
161.02342	3.6
161.04568	3.2
161.06079	2.7
162.03261	0.7
172.05325	5.1
173.04594	1.3
173.06039	1.3
175.04034	3.7
175.07652	3.8
179.03516	17.6
179.05617	10.8
187.03984	0.8
187.07608	0.9
188.04781	1.0
189.05612	7.9
190.06367	8.6
191.05629	29.9
191.07341	1.0
193.05107	0.8
197.11780	1.4
202.06395	1.0
203.07219	2.9
205.08727	4.8
241.05040	0.9
279.06647	1.1
280.07428	0.7
295.09781	0.8
296.06934	1.0
311.09296	2.8
325.10959	0.9
326.11682	5.2
339.12689	1.1
341.10391	0.9
341.14069	4.4
353.08914	15.8
359.15036	0.8
371.15060	30.3
491.23608	0.6
551.21265	6.2
551.30487	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	551.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77966	0.7
54.78957	0.7
55.01912	0.9
57.31881	0.6
59.01397	9.2
61.98860	0.7
69.59949	0.7
71.01402	7.4
71.50439	0.7
73.02973	1.4
85.02985	3.1
85.84296	0.7
87.00911	0.7
89.02459	3.5
93.03459	3.5
96.96034	1.0
99.00858	1.2
101.02466	4.1
105.03445	1.0
113.02463	1.2
118.03439	0.7
121.02965	3.7
122.03749	8.6
123.04539	1.3
132.02196	21.0
133.02971	4.8
134.03760	28.8
136.01668	1.2
137.02417	1.3
147.04475	0.9
149.02505	1.3
149.06105	3.6
150.03250	73.5
151.04036	1.6
153.05627	1.3
160.01682	100.0
161.02370	1.6
165.05594	99.0
166.05103	1.8
167.05418	0.9
175.04027	93.8
176.04816	1.5
178.02759	0.8
180.04306	1.7
189.05453	0.8
190.06406	1.3
191.05658	3.5
191.07205	1.4
193.05093	20.6
195.30029	0.7
213.07872	0.7
217.05170	1.0
234.82010	0.7
235.06248	1.0
337.09363	64.0
359.15213	4.6
425.81122	0.8
432.83551	0.9
491.21576	4.3
551.17731	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32006	1.0
56.58808	0.9
59.01394	21.2
65.08115	1.0
68.99583	16.9
73.02966	1.7
87.77811	1.2
88.98814	1.3
89.02448	12.9
90.56705	1.3
92.10796	3.0
93.35840	1.2
96.96019	14.1
109.58427	1.2
112.98573	17.7
130.07341	1.3
132.72002	1.4
133.05046	2.4
137.02481	4.7
150.03230	24.8
165.01933	55.5
165.05577	47.6
166.02399	1.5
180.04280	45.6
191.05656	1.5
195.06651	100.0
213.07785	8.0
243.08768	14.7
267.13693	1.3
303.65530	1.5
522.20911	1.4
551.11041	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	551.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	1.2
59.01395	21.6
61.98808	2.1
62.10672	1.3
71.01383	15.6
72.99317	2.4
73.02963	7.6
81.38117	1.7
83.01409	1.5
85.02967	7.5
87.00903	2.6
89.02444	11.6
96.96011	34.1
99.00903	3.0
101.02451	7.4
103.47346	1.9
113.02476	6.9
117.03473	23.4
119.05045	20.4
121.02969	14.4
122.03735	3.5
123.00895	10.2
125.02452	2.0
133.02968	3.9
134.03760	24.5
135.04523	13.2
137.02472	8.4
138.03223	2.6
141.30836	1.6
145.02979	100.0
146.03520	2.2
147.04544	13.2
149.02477	14.5
149.06053	11.6
150.03236	58.2
151.04008	2.2
153.05606	2.1
160.01697	14.4
161.02519	1.9
161.04581	1.7
163.04047	11.4
164.04865	3.9
165.01955	40.8
165.05574	54.8
166.99896	12.1
175.04071	18.5
176.04849	14.4
177.02051	2.3
177.05614	2.5
178.02733	12.3
180.04309	33.2
181.05072	2.0
182.02249	30.2
184.52501	1.8
191.03532	3.6
191.05667	5.1
191.07111	14.0
193.05095	35.9
195.06659	59.7
197.04572	28.2
205.05023	3.1
209.04723	3.0
235.06053	23.7
282.08990	7.6
295.08331	3.8
307.08310	41.5
311.09332	3.5
341.10474	14.9
353.08618	3.0
383.11615	11.5
389.12555	20.8
431.13602	13.0
491.21768	2.7
551.18158	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	551.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75341	1.9
59.01386	100.0
60.01736	2.5
61.20328	2.1
61.98823	3.7
71.01386	42.6
72.99332	3.3
73.02958	14.5
74.99105	2.2
75.20480	2.4
83.01369	2.4
84.78911	2.0
85.02953	17.0
87.00904	4.2
88.98820	2.5
89.02444	42.4
90.82883	2.0
93.03467	10.4
95.01418	2.9
96.43845	2.2
96.96001	18.2
99.00917	4.8
101.02444	32.4
109.02938	3.3
111.00873	2.5
113.02445	20.2
117.03466	9.3
119.03490	4.8
119.05043	9.2
121.02978	23.7
122.03740	4.9
125.02445	4.3
133.02957	10.0
134.03748	35.0
135.04524	14.7
136.01666	4.2
136.99155	3.4
137.02449	12.1
145.02965	34.8
147.04536	13.4
149.02440	27.1
149.04626	2.9
149.06056	9.4
150.03242	83.5
151.04030	4.6
160.01636	16.1
161.04573	8.4
163.04034	4.8
164.04828	4.4
165.01921	13.1
165.05583	84.1
175.04051	26.7
176.04836	24.5
177.01949	3.9
177.05478	2.5
178.02711	17.2
178.12807	2.4
179.05621	2.8
180.04326	16.4
182.05902	8.2
191.03529	9.0
191.05586	22.5
191.07184	31.0
193.05083	48.6
195.06664	49.0
197.08179	4.3
201.05492	2.5
202.02736	2.3
227.12860	3.8
235.06129	31.1
265.07123	2.5
282.08978	5.1
295.08066	3.0
307.08246	14.0
341.10413	21.3
355.12259	2.8
383.11404	10.2
385.17587	2.3
389.12537	29.1
431.13504	16.8
490.72452	3.2
491.21173	19.2
507.24271	9.6
507.31372	2.6
513.28986	2.6
532.11871	2.7
551.17816	14.6
568.40729	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	550.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96037	0.3
59.01384	4.6
61.98837	100.0
63.99246	0.4
66.21127	0.4
74.09011	0.4
76.20866	0.5
88.04733	0.4
216.52927	0.5
244.01157	0.4
284.98904	0.4
297.62216	0.5
300.18039	0.5
473.30948	0.6
488.34683	4.3
489.34851	2.2
490.35257	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	550.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
61.93719	0.4
61.98835	100.0
87.71366	0.5
88.39628	0.5
92.10776	1.6
96.96027	0.6
165.48196	0.5
195.35780	0.5
240.79753	0.6
255.23283	2.0
469.33212	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	550.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60736	0.5
59.01401	4.9
59.39112	0.5
61.98844	100.0
92.10082	1.1
140.25981	0.5
146.42822	0.6
215.81302	0.5
237.79105	0.7
273.04596	0.5
304.29828	0.6
488.34760	2.2
489.34869	1.0
490.35046	3.1
514.63916	0.6
550.36670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61319	0.1
59.01390	0.7
65.58025	0.1
78.95906	3.2
79.95731	1.6
84.20123	0.2
89.02441	0.2
92.10768	0.2
96.96014	100.0
96.96904	6.3
98.95609	0.4
150.03203	0.9
165.01941	0.3
165.05611	1.8
191.05681	0.7
195.06606	0.8
213.07729	0.3
260.24304	0.2
394.82263	0.2
515.19250	0.2
551.13953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91504	0.3
59.01384	1.5
60.88611	0.3
60.98188	0.3
61.98834	100.0
62.66219	0.3
66.66436	0.3
67.31367	0.3
68.34122	0.3
68.56182	0.3
79.89443	0.3
83.11629	0.4
87.84964	0.3
100.92565	0.4
116.92857	2.3
117.92842	0.8
127.16026	0.3
133.06526	0.3
138.19917	0.4
490.35345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.9
60.01720	0.5
61.01805	0.3
61.47947	0.2
61.98836	100.0
63.19612	0.2
72.92427	0.2
78.90936	0.2
90.59909	0.2
92.10147	0.3
99.65968	0.2
132.69476	0.2
161.43306	0.3
213.20879	0.2
300.45544	0.3
309.96887	0.2
486.54587	0.3
490.35071	0.3
499.14487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19619	0.5
54.82368	0.6
55.01888	4.1
57.03456	18.0
59.01386	11.9
61.98844	3.3
68.99830	1.3
69.03479	0.5
71.01386	1.5
73.02966	0.6
79.05532	7.2
81.03468	3.0
83.01402	3.8
83.05030	6.4
84.02165	7.3
85.02951	62.7
92.10075	0.9
94.04218	0.7
95.05021	0.7
97.06590	1.1
105.07137	0.6
107.04995	4.3
109.06609	0.9
111.04530	4.1
116.92902	0.8
120.05811	6.4
123.08174	9.4
124.05282	1.1
133.06590	4.4
134.07390	0.7
135.08168	31.6
137.09749	1.2
149.09714	7.2
153.09290	0.6
156.42197	0.6
206.24889	0.7
232.88660	0.6
325.21671	4.9
343.22745	3.9
414.25790	0.8
474.74124	0.7
475.30759	2.8
487.30737	100.0
488.31201	2.5
505.31885	14.5
549.30780	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36480	0.6
57.30938	0.6
59.01385	100.0
60.66651	0.6
61.98827	5.5
79.22552	0.6
79.70562	0.6
92.10101	1.3
97.02960	2.8
111.50111	0.7
117.80193	0.6
121.02997	2.6
127.58714	0.7
171.87938	0.7
174.99257	1.4
217.00378	1.0
248.71675	0.7
269.07010	1.0
309.10263	1.3
407.17569	7.1
413.34439	1.2
425.34515	1.2
441.33908	1.5
489.36130	30.1
545.97870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32404	0.1
59.01379	1.3
61.98837	100.0
71.22098	0.1
108.38186	0.2
116.92906	0.2
122.34105	0.1
152.57858	0.2
159.90764	0.2
160.85016	0.1
459.34055	0.2
460.34067	0.2
463.81250	0.2
469.33304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3076
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
55.01891	1.6
55.31158	0.3
57.03455	5.6
59.01382	2.7
59.22268	0.2
59.66019	0.3
62.31569	0.3
67.01907	1.2
69.03455	3.7
71.01380	1.2
73.02942	0.5
74.14968	0.3
80.18186	0.3
81.03457	2.6
83.01389	2.5
83.05035	5.3
84.02173	3.9
85.02950	25.3
92.10182	0.9
93.03471	0.4
95.04951	0.3
97.02946	31.8
102.72841	0.3
109.02961	0.6
109.06617	0.3
111.04544	1.9
119.08678	3.8
121.06553	0.3
125.06073	0.5
133.10251	0.4
153.89520	0.3
157.07365	0.3
207.13972	0.4
213.83363	0.3
214.57581	0.3
224.19334	0.3
284.09772	0.3
302.09592	0.3
307.20792	0.6
325.21722	0.7
343.22809	0.7
361.23886	0.7
469.29568	1.9
487.30600	1.5
495.27859	0.6
497.25803	0.4
505.31729	4.3
521.31348	2.7
549.30804	100.0
550.30988	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	549.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.3
57.03475	8.2
59.01387	48.7
61.98841	2.8
67.05247	2.1
69.03465	8.5
71.01376	17.6
71.05043	2.1
72.99314	3.9
73.02960	10.3
74.34842	1.8
81.03460	21.7
83.01392	16.1
83.05048	10.3
85.02952	33.2
86.00114	5.1
89.02455	8.4
97.02975	3.1
97.43685	2.0
99.00902	3.4
99.04529	8.8
101.02435	8.7
101.06068	2.2
102.74498	2.4
109.02936	18.8
109.56276	2.1
112.24841	1.9
119.08677	3.3
125.06081	2.4
127.04029	36.3
145.05061	3.6
159.59964	2.1
191.05789	2.4
199.07637	2.3
257.36392	2.4
317.24887	2.8
327.19528	9.4
327.23209	2.8
345.24478	15.0
471.53351	2.8
489.25067	11.2
505.31857	20.0
513.29083	8.0
549.30811	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	549.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67990	1.2
55.01883	2.5
57.03450	17.2
59.01378	14.7
61.98813	1.2
65.47533	1.5
67.01892	2.0
69.03448	1.4
71.01386	6.6
73.02952	1.9
81.03466	6.3
83.01385	1.9
83.05045	10.4
84.02164	6.9
85.02952	83.1
85.84823	1.2
87.00879	1.6
88.02702	1.0
90.65434	1.2
93.03455	6.6
95.01377	5.1
97.02952	15.9
101.02425	2.3
109.02919	1.4
109.06657	1.3
111.04505	6.7
115.92081	1.5
123.08150	1.5
161.06062	9.2
175.07654	2.7
191.05586	4.6
205.12389	2.4
317.24796	1.2
351.19492	4.1
469.29535	1.4
487.30762	2.0
505.32172	25.4
513.28741	19.8
531.29712	19.7
549.20825	5.7
549.30835	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	549.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82007	0.1
59.01377	0.2
62.97165	0.1
71.01384	0.2
78.52748	0.1
78.95904	1.8
79.95740	1.3
89.02503	0.1
96.96015	100.0
96.96893	2.9
101.02445	0.1
177.57283	0.1
191.05632	0.2
199.76857	0.1
270.59772	0.1
311.55307	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.2
57.03452	3.5
59.01389	39.0
61.98841	2.2
64.73640	1.2
65.03958	2.8
69.03467	9.5
71.01377	18.4
72.99331	1.8
73.02952	7.6
81.03455	26.5
83.01392	10.0
83.05022	15.1
85.02948	35.9
86.00098	6.6
87.00870	2.8
87.47935	1.5
88.01660	2.0
89.02483	5.9
95.01392	2.2
95.05048	1.8
99.00881	7.7
99.04517	11.7
101.02439	11.7
101.06116	1.9
103.03985	1.9
109.02969	21.5
113.02469	2.3
118.15314	1.4
119.08665	9.0
126.03201	1.6
127.04012	28.2
145.05101	3.3
149.04608	1.6
151.34015	1.4
158.42488	1.6
160.61795	1.6
173.04593	1.7
191.05644	2.4
193.06577	1.5
206.63379	1.5
317.24863	6.6
327.19672	12.2
327.23169	2.3
340.72672	1.7
343.22852	2.6
345.24457	18.8
377.77127	1.6
487.30417	1.8
489.24960	10.0
504.13284	1.7
505.31741	28.7
513.29230	5.7
549.30890	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	549.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32853	2.4
59.01389	100.0
61.98839	18.6
80.27045	3.2
101.02412	3.4
123.50729	2.8
178.77330	2.9
191.05684	2.9
213.07620	3.1
261.96179	2.8
489.26862	3.9
489.35681	17.3
549.30847	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	549.2719
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
53.48035	0.2
55.01892	1.1
55.89422	0.2
57.03453	0.8
57.99058	0.2
59.01388	100.0
71.01383	6.3
73.02959	1.6
83.01393	0.8
85.02961	3.2
87.00878	0.3
89.02452	2.1
92.10803	0.5
97.06601	0.4
99.00900	1.1
101.02449	4.9
113.02463	1.9
119.03503	0.5
120.47363	0.2
123.08158	0.8
135.14301	0.2
161.04585	1.6
174.41792	0.2
202.11800	0.2
255.13908	0.3
269.15436	0.4
270.16165	1.2
285.18671	0.5
297.14801	0.5
309.18695	0.5
327.19730	38.0
328.20221	0.5
329.21362	1.3
489.25058	20.7
575.69141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53619	3.0
54.82859	3.6
57.03460	5.1
57.91686	3.2
59.01386	100.0
59.01690	3.5
61.98852	15.2
63.48021	3.5
66.68296	3.2
68.26566	3.6
71.01403	8.7
85.02956	41.8
86.03309	7.7
89.02464	23.6
97.70833	3.1
99.00954	4.7
101.02446	6.2
137.09726	7.0
149.04601	6.0
178.06375	6.1
292.34726	4.7
489.32504	5.4
511.67273	4.6
513.27161	41.8
548.29504	15.6
549.23688	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82752	4.9
59.01389	91.7
61.98838	100.0
75.00866	5.9
83.35432	4.8
134.28476	6.5
214.63680	5.4
284.91171	5.3
325.00925	6.4
393.01279	5.6
452.32898	6.6
489.35471	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	549.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03732	0.4
55.01884	2.0
55.07864	0.4
56.47112	0.4
57.03459	2.3
57.34025	0.4
58.00616	0.9
58.29070	0.4
59.01387	27.6
61.98847	0.7
64.33933	0.4
69.03475	2.4
71.01384	37.5
73.02943	15.8
75.00887	1.7
81.03462	0.6
83.01394	6.0
85.02956	16.7
87.00891	2.5
88.98871	0.4
89.02448	23.0
93.03439	0.5
95.01399	2.5
96.96039	0.6
97.02969	3.7
97.88992	0.5
99.00877	14.0
99.04531	0.9
101.02448	27.1
101.29337	0.5
105.04285	0.5
111.00847	0.5
111.08145	3.1
113.02452	13.2
115.04042	3.8
119.03526	0.8
121.02985	2.1
125.02472	5.7
127.03996	0.7
131.03537	3.7
139.07666	31.0
141.80156	0.5
143.03526	2.4
149.04585	3.8
150.79108	0.5
157.08250	0.5
159.03011	2.5
161.04576	13.6
179.86008	0.6
191.05568	3.7
195.10223	1.8
233.06703	4.2
293.08875	2.0
334.18298	0.5
357.15735	5.4
489.19873	100.0
490.20944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03732	0.4
55.01884	2.0
55.07864	0.4
56.47112	0.4
57.03459	2.3
57.34025	0.4
58.00616	0.9
58.29070	0.4
59.01387	27.6
61.98847	0.7
64.33933	0.4
69.03475	2.4
71.01384	37.5
73.02943	15.8
75.00887	1.7
81.03462	0.6
83.01394	6.0
85.02956	16.7
87.00891	2.5
88.98871	0.4
89.02448	23.0
93.03439	0.5
95.01399	2.5
96.96039	0.6
97.02969	3.7
97.88992	0.5
99.00877	14.0
99.04531	0.9
101.02448	27.1
101.29337	0.5
105.04285	0.5
111.00847	0.5
111.08145	3.1
113.02452	13.2
115.04042	3.8
119.03526	0.8
121.02985	2.1
125.02472	5.7
127.03996	0.7
131.03537	3.7
139.07666	31.0
141.80156	0.5
143.03526	2.4
149.04585	3.8
150.79108	0.5
157.08250	0.5
159.03011	2.5
161.04576	13.6
179.86008	0.6
191.05568	3.7
195.10223	1.8
233.06703	4.2
293.08875	2.0
334.18298	0.5
357.15735	5.4
489.19873	100.0
490.20944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76827	0.6
54.49924	0.7
55.01893	3.3
57.03461	3.3
59.01389	70.0
59.69949	0.7
61.98840	3.7
69.03461	3.8
71.01388	54.2
72.99308	1.5
73.02952	24.8
73.94139	0.9
75.00896	1.9
81.03474	1.8
82.95446	0.8
83.01406	5.8
85.02954	19.5
87.00892	2.1
88.98836	3.5
89.02446	35.1
92.43318	0.8
93.03459	1.4
95.01387	1.9
96.96012	30.2
96.96977	1.2
97.02971	5.0
99.00888	23.8
99.04645	0.8
101.02450	33.4
111.08169	6.7
113.02469	15.3
115.04026	4.1
116.92871	1.2
125.02459	8.1
131.03511	5.3
135.04538	2.1
137.02444	3.5
137.21469	0.9
139.07669	38.2
143.03516	1.7
145.80496	0.8
147.53990	0.9
149.04544	3.8
152.04811	3.5
154.36659	0.9
159.03024	1.6
159.54218	0.8
161.04581	12.5
172.76285	0.8
175.96410	0.8
178.54634	0.9
183.23785	0.8
191.05626	12.8
193.12405	7.8
195.10283	1.9
211.13338	1.2
212.06931	5.7
217.45836	0.9
227.09300	14.5
233.06650	4.7
237.11328	5.0
293.08969	1.9
357.15579	3.3
489.19901	100.0
505.23203	1.6
549.14825	1.2
549.22205	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62407	0.3
55.01879	2.8
57.03462	1.8
57.82641	0.3
58.00616	0.5
59.01389	25.4
59.44634	0.3
61.98834	0.4
69.03457	2.1
71.01386	39.0
72.99325	0.7
73.02951	16.6
75.00873	1.4
81.03480	1.4
83.01398	5.3
85.02956	14.3
87.00890	1.9
89.02446	22.7
89.03004	0.7
93.03454	0.5
95.01393	2.8
96.96042	1.7
97.02945	3.7
99.00883	13.3
99.04531	0.7
101.02450	29.0
111.00893	0.6
111.08170	2.7
113.02463	13.9
115.03990	3.7
119.03521	1.7
121.02956	1.7
123.68317	0.4
125.02457	6.2
127.04084	0.7
131.03543	3.1
135.04535	0.6
139.07669	31.0
143.03500	2.2
149.04587	3.4
159.03009	2.6
161.04572	14.7
167.03531	0.4
173.04633	0.4
191.05629	4.5
195.06757	0.4
195.10306	2.0
199.14290	0.3
227.09282	0.7
233.06664	3.2
249.74408	0.4
262.78928	0.4
284.38977	0.4
293.08813	1.5
352.84048	0.4
357.15628	4.7
367.12555	0.4
456.39618	0.3
489.19901	100.0
490.20233	1.4
549.16522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82266	1.3
54.82550	1.0
55.01885	2.1
57.03468	2.5
58.00603	1.2
59.01387	58.0
61.98843	3.0
66.37191	1.1
69.03461	2.4
71.01384	61.8
72.99329	1.3
73.02946	19.5
75.00898	1.6
81.03467	1.4
83.01411	6.5
85.02953	21.9
87.00887	5.6
88.98817	6.2
89.02448	41.9
93.03459	1.5
95.01433	1.7
96.96012	13.0
97.02945	2.9
99.00888	14.5
101.02450	34.3
111.08173	5.7
113.02473	20.5
115.04009	5.4
117.03467	1.6
119.03497	5.4
125.02449	8.5
127.05629	1.2
131.03514	5.2
132.02167	11.5
133.02991	1.9
134.03751	48.2
135.04512	2.3
137.02451	2.6
137.06107	6.8
139.07664	40.4
143.03503	2.8
147.04541	2.4
148.05305	1.8
149.04634	1.2
149.06091	7.1
150.01553	1.4
151.04033	1.8
151.06166	5.7
151.11223	1.5
159.03014	2.0
160.01680	97.5
161.04593	14.5
164.04771	1.4
165.44804	1.3
175.04030	100.0
176.04790	12.1
177.01929	2.1
177.05586	1.4
178.02736	2.8
179.03505	1.5
191.05606	14.0
191.07195	12.2
193.05081	53.2
193.12364	9.0
195.10233	1.6
207.06697	7.4
215.05786	1.6
220.03687	2.1
233.06613	6.6
235.06157	48.8
237.11266	4.6
265.07040	1.7
293.08749	5.2
295.08243	8.3
317.82770	1.4
355.10150	2.4
357.15543	3.0
489.15848	57.7
489.20001	66.7
510.56396	1.4
549.22333	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	549.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03453	1.7
59.01385	41.8
60.99320	1.6
61.98846	2.4
69.03497	1.2
71.01380	42.7
72.99315	1.3
73.02952	12.9
74.29517	0.9
79.37201	1.0
83.01406	5.2
85.02950	19.2
87.00872	2.7
88.98835	7.1
89.02439	26.9
92.10764	2.5
93.03472	4.5
95.01405	1.3
96.96036	7.9
97.02969	2.4
99.00881	8.6
101.02438	28.2
111.08151	1.2
113.02451	14.3
115.04029	2.5
117.03454	4.5
119.03525	6.2
121.03031	1.3
125.02455	7.1
127.04006	1.5
131.03487	1.3
132.02193	14.9
133.02971	2.2
134.03748	52.9
135.04527	1.6
137.02435	1.5
137.06155	4.5
139.07643	19.4
143.03539	1.2
147.04558	4.6
148.05301	2.2
149.04633	1.2
149.06071	8.3
151.04022	2.0
151.06149	5.6
160.01666	99.0
161.02132	1.2
161.04584	9.3
164.04839	1.6
173.02507	1.2
173.04547	1.1
173.06090	1.6
175.04007	100.0
176.04793	13.7
177.01973	2.4
178.02730	6.3
191.05612	11.0
191.07184	22.5
192.04266	1.5
193.05080	53.1
193.12300	2.6
207.06613	9.5
220.03903	1.9
233.06618	5.1
235.06136	56.0
237.11388	2.4
265.07220	6.8
293.08777	2.3
295.08334	8.7
355.10159	2.7
357.15244	2.3
489.16339	85.1
489.20129	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46847	1.3
54.29132	1.3
54.82479	1.4
58.00621	3.5
59.01389	100.0
64.60731	1.7
69.03471	8.4
71.01385	81.3
72.15162	1.4
72.99314	2.3
73.02958	16.7
75.00873	2.2
77.80067	1.6
81.03453	1.7
83.01395	4.1
85.02966	18.4
87.00877	2.4
88.75995	1.5
89.02451	88.9
91.02913	1.7
93.03497	2.0
95.01401	1.9
97.02950	11.8
99.00901	20.3
101.02456	26.3
101.18554	1.5
107.05054	17.7
107.48075	1.7
107.88334	1.5
111.00911	2.5
113.02466	14.0
115.04021	10.4
115.67274	1.6
119.03521	7.2
121.02998	1.8
125.02454	31.4
131.03534	8.4
133.02966	4.2
135.04590	2.5
137.02480	1.9
143.03551	3.1
149.04585	16.2
149.06094	38.3
160.01653	4.0
161.02402	13.3
161.04558	2.4
173.04593	7.0
174.82324	1.6
179.03380	2.7
179.07173	3.0
181.12331	3.7
191.05644	9.8
222.06839	2.4
225.11334	3.4
233.06778	19.4
240.08037	3.9
255.10292	16.8
268.04919	1.9
268.07391	14.2
279.06726	2.4
280.07538	8.5
283.09689	8.4
293.08810	61.3
296.06857	8.5
308.07053	10.4
309.07767	7.3
311.09299	3.0
321.07907	2.3
322.08426	2.6
323.09268	21.2
324.06406	8.9
324.10086	9.5
336.88138	1.8
338.11679	8.0
339.08795	65.0
353.10568	2.5
354.11224	15.8
369.09006	2.3
369.13544	52.6
489.24194	2.9
503.24933	21.3
549.19849	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	549.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.6
57.03450	1.5
58.29030	0.9
58.71206	1.0
59.01389	36.8
60.99319	2.7
61.98845	5.4
66.44405	1.0
71.01383	35.0
72.97529	1.3
72.99303	1.2
73.02960	9.9
76.57066	1.3
83.01415	2.6
85.02965	11.5
85.17628	1.0
87.00896	2.6
88.98808	18.6
89.02437	25.0
93.03489	6.2
95.01380	2.9
96.96032	5.7
97.02962	2.7
99.00881	8.0
101.02446	20.7
111.81403	1.2
112.52484	1.1
113.02480	13.2
117.03460	1.2
119.03487	4.2
121.02972	2.2
125.02474	4.6
131.03490	1.3
132.02159	15.0
133.02975	2.8
134.03745	47.2
135.04564	2.4
137.02437	2.7
137.06117	4.9
139.07677	14.2
147.04498	4.0
148.05345	2.2
148.48721	1.3
149.06136	8.7
151.06155	7.6
151.11299	1.4
158.37886	1.2
159.02971	1.8
160.01672	100.0
161.02467	2.1
161.04559	7.8
163.04083	1.5
164.04776	1.8
173.04535	5.0
173.06007	1.4
175.04018	95.8
176.04790	12.1
177.01933	4.7
178.02698	2.6
191.05595	13.0
191.07191	15.9
193.05074	55.4
193.12276	6.3
195.06528	1.1
201.43062	1.2
207.06619	6.7
211.86009	1.2
220.03790	2.0
225.07831	1.4
227.08954	1.4
233.06665	1.6
235.06154	45.6
255.83727	1.2
265.07211	6.5
295.08337	8.3
337.09338	2.3
355.10559	2.7
357.15564	1.8
367.10400	1.8
489.16394	86.0
518.29834	1.4
549.22803	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	549.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74937	0.1
52.04950	0.1
55.92653	0.1
56.67813	0.1
57.29789	0.1
59.01386	1.1
62.33200	0.1
67.47485	0.2
68.02693	0.1
78.95901	3.0
79.95744	1.4
90.47697	0.1
92.10886	0.3
92.66460	0.2
92.76447	0.1
94.15726	0.2
96.96007	100.0
96.96892	4.7
97.72946	0.1
98.95599	0.7
103.00396	0.2
112.36459	0.1
116.92867	0.2
119.05017	0.2
121.02950	0.3
135.04501	0.7
163.04015	0.2
300.60199	0.2
323.13525	0.9
464.15814	0.2
514.20795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15559	0.2
59.01402	0.2
60.30034	0.1
64.63662	0.2
67.56047	0.1
78.95908	3.1
79.95751	1.3
82.95432	0.2
84.80772	0.1
87.52414	0.2
92.10078	0.2
96.96014	100.0
96.96899	4.8
119.05035	0.7
120.05379	0.2
163.04013	0.3
164.04247	0.2
165.05659	0.2
266.65173	0.2
282.58124	0.2
366.86722	0.2
433.43176	0.2
549.15802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62066	0.3
59.01384	23.4
59.50328	0.3
61.98835	5.6
76.90829	0.3
77.03983	1.4
82.09729	0.3
111.78530	0.4
121.02953	100.0
122.03300	0.7
137.09766	0.3
145.58371	0.3
148.37814	0.4
165.01936	28.4
180.05885	0.5
181.06599	3.2
197.06038	2.4
207.04553	0.7
225.05550	2.0
257.09964	0.7
313.07288	0.8
373.10217	0.5
383.07669	0.7
404.38968	0.4
407.17627	0.4
417.09857	1.6
430.54199	0.4
459.34302	0.5
488.34329	0.4
489.35904	1.6
505.11453	0.8
549.10468	23.6
549.37842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95041	0.3
54.61303	0.3
59.01390	1.7
60.01758	0.3
60.19651	0.3
61.98836	100.0
63.76705	0.3
159.71600	0.4
185.78827	0.5
187.79333	0.4
253.21802	1.4
260.58557	0.4
355.97952	0.4
387.08307	0.4
528.33521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91423	0.5
55.01891	0.9
57.53062	0.6
58.14866	0.5
58.25573	0.6
59.01386	11.6
59.08837	0.6
60.62432	0.5
61.98833	22.3
70.79430	0.5
71.01377	11.9
72.00903	16.2
73.02948	5.0
73.27585	0.6
75.00892	0.7
83.01397	0.7
85.02945	6.8
87.00902	1.0
89.02438	7.4
91.05552	0.9
94.13570	0.6
96.96005	12.4
96.96947	1.1
99.00921	2.9
101.02439	11.4
103.95737	0.6
113.02445	5.3
115.13440	0.6
119.03532	0.8
125.02475	1.1
131.03456	0.9
135.04846	0.7
140.41754	0.6
143.03442	0.9
147.04535	66.0
149.04532	0.9
159.03032	0.9
161.04535	7.4
164.07181	100.0
191.05663	0.9
251.11404	10.7
383.15668	55.3
414.88272	0.7
556.88672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82953	0.3
59.01395	32.3
60.99323	0.7
61.98862	2.7
62.76777	0.3
68.99600	0.6
70.07610	0.3
75.00870	0.6
85.06682	0.3
154.68616	0.3
158.90416	0.3
178.30690	0.3
184.48274	0.4
278.35544	0.3
325.70761	0.4
377.28165	0.5
391.30157	6.6
393.31760	9.4
405.27914	0.5
411.32672	2.8
413.34543	0.6
416.24396	0.4
423.29074	0.5
425.31058	1.2
427.32147	0.7
437.30734	3.6
439.32291	14.6
443.35196	0.5
457.33344	100.0
458.33658	2.6
487.34399	10.0
547.30176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89406	0.5
59.01388	100.0
60.99290	0.6
61.98828	0.8
92.41048	0.6
128.18636	0.6
136.59529	0.6
153.51039	0.6
169.99480	0.6
378.13553	0.9
393.27917	4.1
409.31216	8.7
423.32886	5.5
425.34329	12.6
443.35599	3.6
469.33276	7.4
487.34418	24.5
547.36456	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	547.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02321	0.8
59.01387	18.6
59.16734	0.8
61.75459	0.8
61.98841	0.9
66.99310	0.8
68.18452	0.7
71.05048	3.6
72.99325	7.1
75.00898	0.9
79.21440	0.9
86.80487	0.8
114.38682	1.1
156.43225	1.0
359.29608	1.0
387.29056	1.2
389.28824	1.3
391.30045	1.5
397.30881	1.6
405.31464	6.8
407.33325	1.7
409.31357	3.4
413.34134	4.0
423.32745	2.1
425.34335	28.2
427.14429	1.1
427.32300	5.1
441.33887	5.7
443.35492	12.2
471.34567	4.0
486.88589	1.0
487.34409	100.0
488.34866	3.6
521.88599	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	547.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67445	0.1
54.44405	0.2
56.04431	0.2
57.03441	0.2
59.01389	100.0
61.98838	0.7
73.02962	0.2
83.96914	0.2
87.04552	0.2
111.12367	0.2
134.04366	0.2
141.89650	0.2
278.72009	0.2
405.31564	1.0
407.28775	0.3
407.33374	0.9
425.34613	3.6
439.32492	0.4
443.35483	0.4
457.33200	0.4
487.34500	16.1
488.34671	0.2
501.36041	0.3
547.36731	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	547.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53421	2.2
59.01394	100.0
61.98853	15.9
65.03983	2.7
77.56539	2.4
83.05051	11.2
93.03465	28.7
97.02985	3.2
98.30083	2.4
111.04539	3.9
114.18111	2.3
116.92902	2.2
124.01648	10.9
137.02428	30.4
139.38292	2.5
149.06038	2.5
152.12370	2.4
275.83856	2.6
403.94156	2.7
465.81393	2.5
469.33063	3.1
469.64685	2.6
487.34149	30.3
515.30206	3.2
532.30499	85.0
546.28638	4.0
547.32947	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2922
Annotation	Paliurine E
Peak:m/z	Relative Intensity
50.97646	1.8
51.47715	1.8
52.04285	1.8
55.01890	2.8
56.28285	2.0
57.03465	19.2
58.15111	2.2
59.01394	48.8
61.98863	3.0
68.11588	2.5
73.86647	2.0
83.01423	4.4
84.02182	4.5
85.02953	79.7
92.10842	5.5
95.05064	2.7
97.02969	2.5
98.13931	2.4
134.08855	2.2
135.08171	9.4
137.06094	3.0
137.09760	23.1
140.96034	2.2
149.06142	3.1
149.09731	4.7
175.07602	3.8
178.06355	36.4
189.09407	2.8
341.21222	5.3
365.19815	13.4
385.20218	4.9
487.30762	14.4
503.30185	14.2
505.37604	3.2
547.29156	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	547.2926
Annotation	20-Hydroxyganoderic acid G
Peak:m/z	Relative Intensity
50.53441	1.5
55.01886	3.7
57.03461	10.3
59.01386	29.3
61.30011	1.4
61.98844	8.4
62.28575	1.5
63.89034	1.6
65.03942	1.9
67.01903	4.1
71.01384	10.2
72.99300	2.1
73.02945	3.9
81.03455	18.5
83.01418	7.2
83.05034	26.4
84.02188	8.2
85.02958	45.6
93.03466	7.3
95.01385	1.9
95.05042	3.6
96.96027	11.3
99.00900	4.2
99.04512	2.8
101.02424	3.5
109.02972	12.5
109.06597	3.1
111.04547	15.2
111.12605	2.1
113.02402	2.4
115.56554	1.6
123.04506	1.7
127.04019	6.5
133.06604	3.2
135.08171	3.1
137.05978	1.9
147.08188	4.2
156.73244	1.6
223.13370	3.2
249.18727	3.9
273.78708	1.8
313.21622	2.2
315.23367	10.1
333.16055	2.1
343.22952	3.7
369.19366	2.5
459.31351	7.1
467.28464	1.7
485.29245	21.0
501.23178	12.6
503.30249	66.1
529.28235	2.1
547.29272	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	547.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.9
57.03463	15.3
59.01380	12.4
61.98840	2.3
64.09761	1.1
65.03973	1.9
67.01902	5.1
69.03463	8.1
69.37446	0.9
71.01397	5.0
73.05490	0.9
81.03460	9.9
83.01410	2.5
83.05032	23.3
84.02155	10.1
85.02953	63.3
89.02448	1.3
92.64931	1.0
93.03442	3.9
95.01400	1.1
95.05046	1.9
109.02957	1.8
109.06597	2.4
111.04536	27.0
118.00074	1.1
121.06604	1.7
123.08183	2.6
133.06516	1.1
145.06615	2.1
147.08157	4.4
149.06116	1.4
151.07640	5.2
173.06082	4.6
175.04016	5.2
176.04797	53.7
177.05576	4.9
191.07132	1.9
229.29289	1.0
241.15950	1.4
243.13803	1.2
246.65392	1.2
306.33926	1.1
308.47028	1.1
311.19916	1.2
323.20145	2.3
331.22546	1.6
359.21994	1.3
453.26633	1.1
483.27985	2.0
485.29233	16.9
487.31061	1.9
503.30325	9.2
528.68359	1.1
529.28149	68.5
537.44415	1.3
547.29260	100.0
548.29669	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	547.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03455	0.9
58.00595	1.0
59.01387	65.2
70.72815	0.4
71.01386	38.2
72.99312	1.9
73.02947	17.1
83.01393	0.7
85.02965	5.1
86.46324	0.4
87.00903	0.5
89.02450	100.0
93.03478	0.4
97.02938	1.6
99.00886	28.0
101.02450	30.6
102.91071	0.4
110.79340	0.4
110.94867	0.4
113.02480	6.2
119.03496	1.8
125.02436	2.2
131.03505	13.0
137.09735	1.8
140.31787	0.4
143.03488	2.5
149.04573	50.6
161.02345	0.6
161.04530	3.5
173.04552	0.8
191.05649	16.3
193.05014	0.4
221.04735	0.6
221.06696	7.2
251.07756	4.7
275.07635	0.9
293.08823	2.3
311.09885	4.7
333.34149	0.5
467.79144	0.4
484.39014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62635	1.3
55.77069	1.0
57.68483	1.1
58.00600	1.2
59.01387	83.8
60.57797	1.1
61.98839	2.4
67.26596	1.1
71.01382	45.9
71.42652	1.4
72.97551	7.1
72.99328	1.8
73.02943	16.6
82.95439	6.5
83.01395	1.9
85.02953	11.7
87.00877	1.9
89.02443	100.0
92.66609	1.4
93.03464	1.9
96.96030	12.0
97.02981	2.0
99.00881	23.9
101.02445	35.8
104.74134	1.3
113.02457	12.0
116.92848	1.7
119.03560	6.3
125.02451	5.2
131.03510	11.2
134.03717	1.4
135.04494	2.0
137.09692	1.8
145.03073	1.6
148.05328	5.7
149.04579	43.9
161.02483	3.3
161.04578	5.5
173.04581	2.0
179.03468	2.3
191.05638	22.4
221.06635	9.7
251.07692	6.1
293.08789	1.7
311.10086	2.4
523.21515	1.4
540.08997	1.5
547.26947	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	547.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20059	1.1
59.01389	19.5
61.98852	4.9
71.01387	7.9
73.02970	4.4
80.66281	1.1
85.02973	5.2
89.02481	7.1
93.03472	2.1
96.96039	2.5
99.00914	1.2
101.02470	5.6
101.49274	1.2
108.36774	1.0
113.02502	1.9
114.29356	1.1
116.92950	1.4
123.91882	1.2
131.03520	1.3
133.03003	2.0
134.03773	1.5
135.04562	6.4
145.03015	2.2
150.11862	1.0
152.44937	1.1
161.02458	7.1
162.03249	2.5
163.04068	1.1
173.04523	1.2
175.12500	1.2
177.05606	8.7
191.05609	5.2
193.05055	1.2
221.06078	2.1
222.06935	8.1
234.06862	1.5
238.06401	11.0
241.05171	7.8
242.05876	6.0
249.05650	5.9
250.06343	8.9
251.07256	2.2
255.03055	1.3
264.08099	1.3
265.05194	2.0
266.05896	16.7
270.05231	1.4
277.05035	9.6
278.05878	53.8
279.06622	8.9
281.08197	7.4
291.06702	2.4
292.07458	5.5
293.04745	1.3
293.08072	2.6
294.05414	11.4
305.04712	2.5
306.05420	37.8
307.06192	25.3
309.07733	2.3
315.15222	1.2
319.06113	1.8
320.07056	8.5
321.07758	92.4
322.04889	11.6
322.08545	15.4
335.09232	9.3
336.10074	34.6
337.07269	68.2
337.10947	10.1
338.07269	1.9
341.16690	1.1
351.08911	5.5
352.09604	16.2
367.11929	100.0
406.96744	1.3
411.11755	1.3
517.21405	2.1
547.26306	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	547.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82136	0.3
59.01392	11.4
61.98843	3.3
66.56374	0.3
71.01385	8.7
73.02946	0.9
83.01410	0.8
85.02956	3.2
87.00883	4.1
87.32515	0.4
88.98820	0.6
89.02452	6.2
92.10104	0.8
93.03477	2.3
96.96019	3.0
99.00878	0.4
99.92576	0.7
101.02454	5.2
113.02460	3.1
116.92889	4.6
117.03474	19.8
119.05038	36.0
120.99682	0.4
121.03001	0.4
133.06624	2.4
134.03745	1.5
135.04594	0.6
137.02477	0.6
139.62895	0.4
145.02979	100.0
149.06126	0.5
160.01688	0.8
161.02408	0.4
161.04753	0.8
161.06093	6.1
163.04030	37.9
168.00200	0.4
168.38602	0.4
173.04568	0.6
175.04037	0.6
177.05579	2.4
179.05659	0.5
184.99307	0.4
191.04036	0.6
191.05615	4.9
191.07140	0.5
192.06056	0.4
193.05040	1.5
205.05103	6.0
235.06145	3.5
265.07248	6.6
285.11679	0.5
304.56134	0.4
307.08359	2.0
325.09375	2.1
397.11789	0.5
429.12851	0.4
487.14709	56.1
488.14801	1.0
547.16943	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	547.1671
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
58.92554	0.8
59.01390	14.1
59.99862	0.8
66.61295	0.9
71.01382	4.5
72.99306	29.4
73.02937	1.0
74.22648	0.9
75.39473	0.8
78.95910	1.5
79.95752	1.0
85.02943	2.3
87.00878	4.0
88.25328	1.1
89.02445	5.0
93.03465	1.6
96.96007	100.0
96.96982	3.9
99.00880	1.3
101.02461	2.2
113.02427	1.3
119.05019	16.4
121.02975	4.0
125.02474	1.7
134.03758	1.4
135.04517	7.4
136.07701	1.3
147.04535	41.2
149.02478	8.1
149.05984	1.2
152.01151	1.4
159.04538	1.8
161.02481	1.8
161.04567	3.8
161.06075	7.7
162.05612	4.9
163.04005	14.2
164.04823	8.0
165.05530	2.0
176.04811	1.2
177.05545	3.8
179.08348	1.1
189.05571	1.5
191.03535	47.2
191.05504	5.0
192.72015	0.9
193.01407	5.2
193.05066	4.4
205.04956	7.9
208.03813	8.8
209.04565	20.9
223.06152	23.8
233.04590	14.0
236.43791	1.2
251.05638	10.2
311.07629	1.9
385.11597	5.0
547.16821	96.6
548.17316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98304	0.4
54.82666	0.5
59.01388	5.2
62.22948	0.5
64.74226	0.4
65.07030	0.4
67.82553	0.5
71.01357	0.5
73.23601	0.5
80.82310	0.5
93.03467	0.6
96.95996	5.3
116.92876	1.3
119.05027	99.6
136.62564	0.6
141.01736	0.8
145.02940	6.1
161.06096	0.9
163.04021	100.0
164.04362	0.6
271.05844	0.8
278.20859	0.6
280.89621	0.6
301.10971	0.7
325.09323	29.6
395.33124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08582	0.9
59.01388	14.5
60.66653	0.8
61.14157	0.8
62.97298	0.8
66.72176	1.0
71.01392	5.9
72.99313	25.6
73.02927	1.3
78.95914	1.6
79.95735	1.1
85.02962	1.5
87.00883	4.1
89.02437	4.2
92.10170	2.2
92.65442	1.0
93.03484	1.3
96.96015	100.0
96.96967	3.4
99.00885	1.4
101.02439	1.5
116.92912	1.0
117.03469	1.3
119.05038	16.0
121.02969	4.8
133.06587	1.5
134.03760	2.0
135.04579	7.4
136.07697	1.7
147.03357	1.6
147.04552	39.3
149.02449	6.6
149.06120	2.1
152.01187	1.2
159.04527	1.8
161.04684	2.3
161.06104	6.0
162.05573	2.1
163.04041	17.8
164.04857	8.3
165.05617	1.4
179.07008	1.8
179.08383	1.5
190.02678	2.4
191.03540	44.1
191.05554	5.3
193.01421	3.9
193.05154	2.2
205.04939	8.2
208.03822	13.1
209.04599	18.6
219.86450	1.0
223.06145	19.3
233.04611	13.9
251.05690	9.8
253.03513	1.1
279.92966	1.1
293.06329	1.0
311.07874	1.9
385.11508	2.6
386.75024	1.1
400.34766	1.5
403.04730	1.2
519.02832	1.2
547.16815	94.7
548.17456	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	546.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67719	0.9
51.52685	0.7
54.76139	0.9
55.73882	0.8
59.01389	4.3
61.98834	100.0
79.48556	0.9
81.88692	1.1
84.60413	1.2
89.91508	1.1
92.65440	1.1
99.89301	1.0
105.28344	1.0
125.09661	1.3
158.62547	1.1
173.99635	1.2
179.34572	1.0
371.58371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19009	0.2
54.42349	0.2
57.66393	0.3
59.01385	2.4
61.98833	6.0
66.86652	0.2
71.01398	0.5
75.55208	0.3
77.43091	0.2
78.00890	0.3
83.01411	0.3
85.02981	0.6
89.02457	0.6
92.10136	0.5
93.03445	0.6
96.95992	0.6
98.26482	0.2
99.00885	0.3
101.02414	0.5
109.02988	0.3
116.05069	4.5
121.02980	1.1
132.04474	0.3
137.02470	0.5
137.16887	0.3
149.02454	0.4
153.05602	0.4
159.03264	1.2
160.04054	100.0
161.04410	0.6
165.05656	0.4
183.02824	0.3
188.52563	0.3
191.05669	2.7
197.04539	0.5
204.03043	3.5
218.04536	2.1
297.11472	0.3
327.07275	0.3
341.08923	1.4
366.08301	1.6
475.05185	0.3
483.16483	0.3
546.12640	8.7
573.44775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3493
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
54.27335	0.5
54.96946	0.4
59.01388	100.0
59.37948	0.4
62.87395	0.5
64.05859	0.5
72.99314	31.6
73.02955	0.7
73.47739	0.5
79.51849	0.5
84.02052	0.5
91.00371	4.4
93.62634	0.5
117.03484	3.6
119.05042	7.0
145.02963	23.7
146.03310	0.9
151.58095	0.6
163.04002	4.9
190.87318	0.5
217.00349	1.0
287.22247	1.0
405.17538	0.6
415.24905	3.7
433.26218	1.2
467.33099	0.6
485.32935	8.5
507.29666	13.8
509.30347	3.0
545.35309	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3491
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
50.45761	0.3
54.54329	0.3
59.01386	100.0
61.98838	0.8
75.00874	0.3
88.98788	0.6
94.80627	0.3
104.20158	0.4
116.34013	0.3
410.81012	0.4
423.32883	0.4
457.33478	4.6
472.35114	0.7
485.33304	0.4
545.34869	2.6
546.78235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3494
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
53.38515	0.4
56.88156	0.5
57.52144	0.4
57.52557	0.3
59.01386	100.0
61.98834	0.7
67.80343	0.4
73.66618	0.4
74.04795	0.4
91.97055	0.4
121.58106	0.4
145.01985	0.4
145.02931	3.2
198.27446	0.4
388.62082	0.6
407.33347	1.1
408.33713	0.7
419.29639	2.2
445.27567	1.6
465.30267	2.0
467.32275	0.7
485.32843	68.5
486.33310	0.8
507.29852	0.6
545.28265	2.1
545.36243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3491
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
54.33319	1.4
54.83122	1.6
56.77991	1.2
59.01393	100.0
61.75513	1.4
61.98835	2.3
69.33664	1.5
70.41244	1.4
70.45325	1.4
72.99323	1.9
73.12443	1.7
73.67687	1.6
75.77869	1.4
80.25439	1.5
83.63615	1.7
96.37327	2.0
129.18733	1.6
139.46594	1.5
145.02878	2.0
153.29556	1.6
215.40160	1.7
405.31738	2.5
411.32672	2.1
423.32761	16.0
425.30460	2.0
439.32138	2.4
441.33743	6.5
485.32370	52.2
568.53760	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	545.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
58.00603	1.5
59.01387	65.9
60.03162	0.5
61.06717	0.6
69.03435	0.6
71.01383	36.0
72.99315	0.9
73.02950	17.6
78.71725	0.6
85.02979	3.9
87.00889	0.9
88.16540	0.6
89.02445	100.0
91.66532	0.5
92.65282	0.6
99.00888	29.2
101.02446	27.7
101.03097	1.0
113.02443	5.2
119.03507	1.0
125.02459	5.1
131.03502	12.6
131.38420	0.7
149.04572	46.3
159.54247	0.7
161.04623	1.0
175.02866	0.7
176.04849	0.9
185.28946	0.7
191.05634	16.0
221.06709	5.7
221.08691	0.7
251.07825	8.6
293.08768	1.3
306.49036	0.6
311.09943	5.2
448.24704	0.7
485.24042	17.2
545.27142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2769
Annotation	CHEBI:70545
Peak:m/z	Relative Intensity
53.10181	0.3
57.03540	0.6
57.44508	0.3
59.01483	1.0
60.99121	0.4
60.99403	0.7
61.98938	0.4
67.01982	0.6
71.01466	0.7
73.03053	0.8
81.03613	2.3
83.04636	0.7
83.05173	4.0
84.02284	1.6
85.02625	0.7
85.03103	2.4
89.02532	0.7
92.10763	1.4
96.79531	0.3
96.95609	0.4
96.96130	0.8
109.03078	0.5
111.04678	2.3
123.07050	0.4
126.36423	0.4
176.98795	0.5
191.05817	0.9
249.09201	0.4
277.19827	0.9
292.20700	0.4
293.19418	0.7
295.20813	0.7
321.18591	6.1
339.19742	2.8
389.40247	0.5
394.48019	0.4
420.46472	0.4
439.28699	0.6
455.24121	0.5
483.27631	100.0
484.28012	1.9
495.93448	0.4
501.28784	1.9
545.27594	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	545.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.3
56.12382	1.9
58.43497	1.9
59.01385	100.0
60.01086	1.9
69.03458	3.4
70.95385	1.8
71.01383	64.4
72.99332	4.6
73.02953	5.3
78.95911	2.6
81.22704	2.6
81.82151	1.9
83.01403	7.9
83.05026	4.9
85.02953	34.2
87.00900	10.0
89.02443	63.5
96.96007	97.5
96.96959	6.8
97.02963	5.3
99.00860	2.8
101.02429	47.0
111.04523	4.6
113.02444	25.8
119.03515	25.2
125.02460	27.1
131.03542	2.8
143.03450	3.8
149.04575	3.3
161.04561	10.5
179.05608	13.4
191.05687	2.8
221.06744	9.5
263.07779	4.6
323.09912	74.2
323.13617	4.0
409.13571	70.4
435.15381	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	545.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39413	5.7
55.01903	11.9
55.32035	7.6
55.94826	8.0
56.73371	6.5
57.03468	19.2
59.01402	52.7
71.01401	9.6
73.02961	11.7
83.01417	15.2
85.02956	82.6
87.04496	72.4
96.96017	52.9
98.44437	7.1
101.02458	11.2
103.06430	8.4
171.91618	8.0
191.05630	18.1
280.84259	8.4
485.23798	12.5
509.26135	100.0
545.23889	49.1
545.27924	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	20.5
57.32619	4.0
59.01403	36.9
60.50822	3.7
60.98453	3.7
62.16569	4.3
71.01401	23.4
75.85473	4.7
80.29304	4.9
81.03485	5.1
83.01382	10.0
83.70962	4.6
84.02174	7.6
85.02957	100.0
87.04515	39.6
93.03491	5.7
96.96024	28.5
110.39387	4.4
134.03685	5.2
135.08128	7.7
144.77150	5.9
154.59970	5.0
191.05606	10.3
295.36047	5.1
394.05710	5.2
483.27945	5.1
509.25934	38.4
545.28473	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.7
56.53130	1.2
57.03465	3.1
58.00618	1.7
59.01387	100.0
59.24133	1.1
69.03474	7.8
71.01383	70.8
72.99307	2.5
73.02949	12.1
74.07276	1.2
80.71574	1.4
81.03481	6.0
83.01408	3.3
83.05035	3.2
85.02956	38.5
85.03466	2.0
87.00887	5.4
89.02445	73.7
95.01424	6.4
96.96013	9.8
97.02949	10.0
99.00911	7.0
101.02445	53.9
101.03080	2.1
111.00905	2.6
111.04565	8.7
113.02455	32.7
115.00347	1.4
116.92924	1.6
119.03503	34.6
125.02442	25.3
131.03519	7.9
133.01497	2.9
143.03539	7.4
149.04568	1.8
161.04584	13.3
179.05629	14.2
203.05653	1.7
207.60568	1.5
221.06686	12.7
234.43880	1.4
245.06628	1.6
262.21597	1.5
263.07846	5.6
323.09912	69.2
409.13614	82.8
435.15262	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	545.131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29723	0.4
57.03471	0.6
59.01389	17.7
61.24376	0.4
61.98837	2.0
67.01916	0.7
69.03470	0.7
71.01389	11.8
73.02937	4.0
74.02539	0.4
75.21193	0.4
77.56557	0.3
81.03482	0.6
82.86636	0.4
82.95426	1.8
85.02957	12.2
87.00893	2.2
89.02441	23.5
93.03458	6.4
99.00872	5.8
101.02442	7.9
108.02193	0.8
109.02965	2.7
109.79022	0.4
111.04546	1.0
113.02465	2.0
119.03454	0.5
121.02943	3.6
122.03741	0.4
123.04466	0.6
125.02441	0.7
127.04006	2.2
129.03571	0.7
131.03505	2.5
136.01593	0.7
137.02432	0.6
143.07269	0.4
145.02991	2.9
146.03735	4.7
147.04547	5.9
149.02496	0.7
149.04584	8.6
150.03201	1.9
157.02937	2.0
161.02460	0.8
161.04613	0.7
165.05612	0.9
168.51407	0.5
173.02495	0.8
173.04546	2.7
173.69476	0.4
185.02380	0.7
187.11137	0.5
191.05644	61.5
193.06587	0.8
195.06689	0.8
196.05411	0.7
209.06110	3.2
210.06831	0.5
221.06435	2.3
223.04016	0.9
224.04752	0.8
229.01443	13.5
229.03584	0.9
233.06363	0.5
237.05627	4.5
238.06465	3.4
239.03543	1.0
240.04346	1.6
247.04221	0.5
248.04765	2.8
249.05602	8.3
250.06325	3.0
252.04224	3.0
265.05121	19.4
266.05872	59.4
267.06598	6.4
268.07422	0.8
276.04187	0.8
277.02280	0.7
277.04999	4.9
281.08224	25.1
283.09760	2.3
286.08466	0.6
291.06702	0.5
293.04602	8.5
293.08978	0.7
294.05417	14.5
294.08640	0.8
299.09326	0.9
301.10797	0.9
308.06870	0.7
309.07755	18.3
310.39343	0.5
311.09961	2.3
325.07254	0.9
337.03433	0.6
338.04346	2.8
347.46805	0.5
353.06729	100.0
354.07205	0.9
545.12537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87912	0.2
54.41097	0.2
59.01390	0.6
61.98843	0.2
64.66040	0.2
71.01379	0.5
72.11903	0.3
78.95906	3.5
79.19613	0.2
79.95733	1.8
85.02946	0.3
87.00877	0.4
96.96013	100.0
96.96900	5.3
101.02451	0.4
105.23131	0.2
111.00889	1.1
113.46939	0.3
115.33588	0.3
116.92872	0.4
141.01788	0.3
144.53419	0.2
163.83504	0.3
191.01974	0.4
191.05626	1.9
234.11873	0.3
246.55099	0.3
276.37851	0.3
321.13794	0.3
459.47467	0.3
528.18512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.0
61.98836	9.0
63.72851	0.4
67.01900	0.5
69.03442	0.4
71.01389	2.7
71.41724	0.4
73.02961	0.9
81.03446	0.8
82.95428	0.5
85.02957	12.2
85.50300	0.3
87.00888	2.6
88.98811	0.6
89.02461	2.4
89.80058	0.4
93.03434	4.9
96.95993	0.6
99.04526	0.7
101.02481	0.9
108.02208	0.9
109.02964	2.2
111.04558	1.4
113.02459	0.7
113.28718	0.4
121.02979	1.0
123.04512	1.0
127.04013	2.5
134.03743	0.7
135.04532	1.0
137.02451	0.7
145.02969	0.8
146.03767	2.1
147.04520	1.7
151.04042	0.5
155.10809	0.6
157.02956	1.5
158.03731	0.9
158.06741	0.4
159.04539	0.7
160.01741	0.4
161.02419	0.7
161.06093	0.4
171.02963	0.4
173.04573	2.3
175.03969	0.7
185.02394	0.7
191.05646	63.9
209.06152	2.9
210.06966	0.7
213.05737	0.4
215.12892	0.4
221.06071	1.0
223.04095	1.8
224.04890	1.0
229.01443	11.9
233.06204	0.5
237.05634	4.0
238.06342	3.5
239.03526	0.7
240.04285	1.7
247.04022	0.4
248.04858	1.7
249.05605	8.6
250.06516	3.1
252.04355	4.3
265.05121	14.7
266.05884	56.5
267.06702	6.9
269.04568	0.7
276.04266	2.0
277.05136	4.5
279.03067	0.6
281.08224	24.2
283.09766	0.9
287.68933	0.4
291.06833	0.6
293.04645	7.9
294.05389	15.5
299.09326	0.7
304.07321	0.4
308.06934	0.8
309.07755	17.7
310.04947	0.7
319.02362	0.6
325.07333	0.8
337.03674	0.5
338.04123	2.9
353.06744	100.0
466.94336	0.5
545.13098	0.5
545.23767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39919	1.0
53.95456	1.1
59.01383	2.3
61.98828	2.1
70.05233	1.1
72.99318	71.5
85.02969	1.3
88.18376	1.2
88.37660	1.3
88.77954	1.4
96.96006	2.0
112.19632	1.3
141.96829	1.2
191.05573	1.4
194.39758	1.1
207.22307	1.3
441.33801	100.0
469.33212	12.6
543.33759	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	543.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.5
89.02446	100.0
116.92783	0.5
117.03471	0.9
119.05027	3.5
124.96787	0.6
145.02954	9.0
153.92746	0.5
163.04044	2.6
207.67052	0.6
223.60970	0.5
329.40140	0.5
413.23450	0.7
431.24625	0.8
453.33878	30.7
477.40726	0.6
483.31424	7.9
505.28040	6.0
507.28781	1.9
543.28729	1.2
543.37012	21.8
550.88190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.5
89.02446	100.0
116.92783	0.5
117.03471	0.9
119.05027	3.5
124.96787	0.6
145.02954	9.0
153.92746	0.5
163.04044	2.6
207.67052	0.6
223.60970	0.5
329.40140	0.5
413.23450	0.7
431.24625	0.8
453.33878	30.7
477.40726	0.6
483.31424	7.9
505.28040	6.0
507.28781	1.9
543.28729	1.2
543.37012	21.8
550.88190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44517	0.3
51.81885	0.3
52.29010	0.4
54.25261	0.3
58.76294	0.4
58.91757	0.5
59.01386	100.0
62.18368	0.4
62.88309	0.4
68.88890	0.4
69.51601	0.4
73.15582	0.4
74.01528	0.4
75.17721	0.4
174.78741	0.4
226.04192	0.6
261.92401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32086	0.8
59.01385	43.7
61.98842	1.4
66.98131	1.0
70.75085	1.2
73.02964	2.2
79.95754	3.9
80.96532	1.3
96.96010	8.5
117.03468	14.1
119.05015	30.0
121.02945	4.3
133.02974	1.7
137.96228	1.0
145.02963	100.0
163.04021	18.6
200.51492	1.2
225.00763	1.9
241.30502	1.0
287.22488	8.9
303.82562	1.1
415.24963	10.8
433.26120	6.3
437.30679	4.9
439.32419	6.2
483.31281	47.0
485.33160	3.9
507.29709	60.0
508.29663	1.2
543.26794	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	543.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66235	0.2
56.48072	0.2
57.89982	0.2
59.01385	4.7
68.79007	0.2
71.01392	0.3
73.13213	0.2
74.84457	0.2
79.95744	0.8
80.96510	0.3
89.02479	0.4
91.03996	0.5
91.56186	0.2
93.03497	0.4
96.76477	0.2
96.96019	2.1
109.52908	0.3
117.02634	0.5
117.03471	14.7
118.04251	0.4
119.05028	31.0
121.02951	4.1
123.04536	0.6
133.02948	0.4
138.97083	0.2
141.12823	0.3
145.02969	100.0
146.03259	1.0
162.03261	0.5
163.04021	21.1
225.00766	1.2
230.52240	0.2
269.21259	2.0
287.22308	9.4
388.38757	0.3
415.24963	15.4
433.26013	9.2
437.30487	0.3
439.32349	0.4
483.31342	4.0
507.29709	70.9
508.30411	1.7
543.26447	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	543.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98856	2.0
71.01383	7.7
73.02943	0.9
76.57702	0.5
77.87460	0.5
78.17422	0.5
83.01417	0.7
85.02969	2.2
87.00880	1.3
88.17290	0.6
89.02448	7.8
93.03452	1.3
96.96005	5.6
99.00923	0.9
101.02431	3.8
113.02429	3.5
116.92883	1.2
117.98918	0.6
119.03547	2.2
119.05014	1.3
120.43504	0.6
125.02472	0.8
155.92999	0.5
161.04578	0.6
163.04066	1.2
173.38412	0.6
175.64261	0.6
179.05608	1.3
191.05637	7.9
195.06660	1.1
256.63858	0.6
301.65686	0.6
323.97806	0.6
336.30695	0.6
339.05035	0.9
449.60379	0.7
483.23495	2.6
505.19046	0.9
543.16754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2395
Annotation	Morellin
Peak:m/z	Relative Intensity
53.91314	2.7
58.04298	3.4
59.01397	56.8
60.01763	3.2
61.98848	24.6
70.50998	3.6
71.01381	32.6
73.02973	8.6
75.43405	3.6
77.94518	3.5
83.01430	5.8
85.02983	21.9
87.00915	4.7
88.98817	4.7
89.02449	55.8
93.03489	14.0
95.01396	3.8
96.96046	8.5
99.00891	17.3
99.88087	3.8
101.02452	27.6
113.02477	15.3
116.83898	3.3
119.03487	3.8
124.01698	3.8
131.03494	6.8
135.04506	7.7
145.03024	5.7
149.04584	16.4
161.02477	5.8
173.04616	4.5
191.05637	55.5
265.26947	4.4
266.05881	20.9
281.08292	5.9
340.14063	3.3
345.22827	6.5
351.05322	6.6
388.19803	3.4
483.23553	15.8
505.26599	28.6
507.26865	4.5
543.24103	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	543.246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14347	1.0
53.27242	1.0
55.01896	2.0
59.01388	33.7
60.31134	1.1
60.45823	0.9
61.98836	4.6
63.39364	1.2
69.81908	1.2
71.01379	17.0
73.02953	5.2
76.57941	1.1
83.01406	1.6
85.02537	1.2
85.02942	10.4
89.02427	12.3
93.03467	2.0
95.01406	1.2
96.95976	1.8
99.00846	1.9
101.02430	14.1
101.85502	1.3
108.02048	1.3
113.02460	8.2
115.48425	1.2
119.03458	2.1
119.42082	1.2
121.02994	1.3
135.04475	2.1
138.50938	1.2
143.03522	1.2
152.07242	1.2
161.02470	2.2
173.04573	1.4
179.03607	1.4
191.05618	6.5
257.15543	2.5
273.18573	2.1
291.19766	1.7
317.17734	8.8
319.19199	1.4
335.18726	10.3
487.40714	1.3
497.23859	8.3
525.23608	9.8
543.24561	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	541.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54753	0.2
59.01406	1.9
60.99318	17.1
65.07510	0.2
71.01392	0.8
72.99287	0.2
74.89483	0.2
76.57935	0.2
77.33479	0.2
80.72301	0.2
84.82030	0.2
85.02965	0.4
86.86017	0.2
87.00916	0.7
88.00413	1.0
88.98807	100.0
89.02438	2.5
89.25771	0.2
91.17782	0.2
92.10101	0.4
93.03476	0.2
96.96003	0.3
97.41060	0.2
97.43468	0.2
101.02430	0.3
119.05043	0.2
144.40898	0.2
184.40063	0.2
191.05589	0.8
240.40559	0.2
254.96152	0.2
465.64035	0.2
481.22784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24225	1.2
55.83366	0.9
59.01395	4.9
59.44188	0.9
61.98844	1.1
63.48156	1.2
66.09748	1.0
69.55515	1.0
70.34850	1.4
71.40139	1.0
76.57514	1.1
84.84447	1.1
86.50118	1.1
87.00888	100.0
87.43966	1.2
150.68758	1.3
169.05826	1.2
178.53870	1.2
243.57126	1.2
265.79138	1.1
453.33875	22.6
541.27441	1.4
541.35297	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	541.3542
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
52.63420	1.2
53.82766	1.4
59.01387	3.5
60.99321	6.1
61.98837	18.8
63.76315	1.3
70.17088	1.4
71.01381	46.7
71.05030	1.7
72.02175	3.8
73.02951	8.8
76.98845	1.2
85.02987	2.2
87.00878	41.1
89.02455	6.7
92.10699	1.7
95.70997	1.3
97.06597	5.3
97.25124	1.4
98.03749	2.1
123.71410	1.4
155.98332	1.6
158.49672	1.6
160.11771	1.6
163.28778	1.5
169.21013	1.8
176.30292	1.4
193.19005	1.5
197.82222	1.5
244.52460	1.6
291.19855	1.8
349.25464	3.2
375.26953	2.1
377.28424	11.7
379.30212	2.9
385.43307	1.6
391.26184	5.2
391.30460	6.5
393.27484	15.0
393.31961	8.6
396.59927	1.6
397.30853	7.1
409.31714	13.2
411.28729	39.9
414.98083	1.7
423.28674	3.7
423.33542	2.8
427.32571	2.1
437.31012	14.6
439.32251	43.7
453.33774	10.0
459.35092	2.4
467.35547	17.4
469.33215	24.3
497.36514	25.2
503.34122	11.4
511.34396	31.0
513.35785	8.1
541.35468	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	541.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80009	2.6
59.01386	91.5
59.01658	4.5
61.98856	13.3
71.01390	49.3
72.99326	4.1
73.02957	14.9
74.97479	3.3
77.79146	2.9
79.08861	2.5
85.02974	17.0
89.02439	41.7
92.10880	6.7
93.03455	19.9
99.00888	6.0
101.02445	30.0
111.04536	3.6
113.02480	5.2
120.88973	3.2
125.12727	3.3
134.03766	14.9
135.04549	4.5
137.02446	7.7
149.06160	3.7
157.12343	5.3
160.01711	13.2
161.02396	5.5
161.04561	5.2
173.04497	4.7
175.04013	7.2
191.05600	7.5
193.05125	5.8
199.07706	3.9
203.12933	21.8
253.56187	3.2
322.87128	3.7
365.18054	24.5
481.26254	4.6
505.26685	92.6
506.26663	5.3
541.23865	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	541.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71262	2.0
59.01384	65.7
60.08332	1.9
60.91772	1.8
61.98840	13.9
63.56368	1.8
71.01385	32.6
71.31445	2.1
72.99300	3.7
73.02948	12.2
75.00851	3.3
76.74710	2.4
83.01414	2.9
85.02959	9.3
87.00884	3.5
88.19892	2.1
89.02448	32.3
93.03455	10.5
96.96004	3.2
99.00892	5.2
101.02446	29.0
110.47748	2.2
113.02447	14.2
117.03455	3.1
119.03504	11.1
133.02960	4.6
134.03735	17.1
137.02475	8.5
144.52454	2.3
149.04562	4.8
149.06190	2.3
157.12326	4.6
160.01685	12.7
161.02415	9.8
161.04578	3.8
171.53351	2.1
173.04597	2.8
175.04019	11.9
191.05617	9.4
193.05051	10.9
203.12946	20.4
365.18195	37.1
373.22437	3.4
383.89557	2.5
481.26334	4.2
505.26660	81.5
541.23962	100.0
541.33698	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	541.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18454	0.4
59.01404	4.2
61.59682	0.5
71.01406	2.4
73.02975	0.8
85.02975	2.1
87.00892	1.0
88.98841	0.7
89.02463	3.4
90.88945	0.5
93.03465	2.0
96.96030	2.9
99.00890	0.6
101.02435	0.8
103.00398	0.6
104.90038	0.5
121.02967	0.9
131.68480	0.5
133.02974	0.8
134.03784	0.6
135.04547	9.0
136.04916	0.5
137.02493	0.9
149.02481	3.8
151.00392	5.3
152.01144	0.9
161.02412	0.6
163.04015	0.6
164.04849	3.0
166.02733	11.9
167.03491	2.7
179.03497	8.6
179.07161	1.2
181.05122	9.0
191.05640	16.1
192.06023	0.6
201.00217	0.5
215.03531	6.5
225.02049	0.7
226.02609	0.7
227.03604	1.0
229.05171	2.7
230.05864	3.4
233.06775	0.9
240.04379	3.7
241.05016	2.2
243.03012	13.9
257.04599	3.4
258.05353	10.9
269.04495	0.8
271.02591	10.6
273.07745	6.3
283.09689	0.7
286.04910	6.6
300.06360	0.9
301.07239	99.4
302.07556	1.2
315.08731	1.3
316.09583	60.3
317.99353	0.5
331.11954	100.0
332.12332	1.9
341.08942	2.5
342.09378	0.6
373.86749	0.5
375.06995	2.5
379.14050	24.1
443.02066	0.6
481.19199	2.0
497.43549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.222
Annotation	Cochinchinenin B
Peak:m/z	Relative Intensity
56.21130	3.1
58.42170	3.1
59.01390	62.1
59.54108	3.3
61.98844	5.5
71.01405	18.9
73.02979	6.3
85.02948	5.1
89.02461	14.7
101.02468	5.3
113.02435	4.8
134.44099	3.5
161.04573	4.4
191.05725	6.8
207.06250	3.7
212.12363	3.7
216.44844	3.4
410.30725	3.6
541.22174	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	541.2432
Annotation	Swietenin B
Peak:m/z	Relative Intensity
53.91829	3.0
55.72736	2.7
59.01383	68.7
60.33891	3.2
63.61000	3.2
64.19402	3.5
71.01380	52.6
73.02984	16.9
83.01407	3.5
85.02962	7.0
89.02437	65.2
96.96021	14.5
97.79455	3.0
99.00861	25.2
101.02448	34.5
108.54255	3.9
113.02485	12.7
125.02406	4.0
130.26601	3.8
131.03537	6.1
149.04619	28.7
171.55251	4.0
175.04007	4.0
191.05644	20.0
211.84949	4.0
251.07922	4.4
420.83182	4.0
481.22983	57.2
505.26669	41.7
541.24115	100.0
553.97089	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	539.3152
Annotation	Panduratin B
Peak:m/z	Relative Intensity
61.98832	30.1
71.01396	2.3
92.66286	2.4
110.02084	2.5
145.03050	2.8
202.97363	2.3
231.76892	2.4
265.82327	2.9
282.56805	2.4
367.56161	2.4
441.33661	3.0
457.33295	48.9
503.33923	9.2
520.10889	2.7
539.31909	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	540.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40427	0.5
58.81292	0.4
61.55780	0.5
61.98837	100.0
63.49268	0.4
79.54883	0.5
100.16795	0.5
193.98468	0.5
312.86145	0.5
316.15869	0.6
431.88077	0.6
455.35303	8.2
504.13913	0.6
540.33154	49.4
541.33972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37440	0.3
58.66262	0.3
60.07888	0.4
61.98837	100.0
64.23512	0.4
65.80648	0.4
84.00906	5.3
90.62312	0.4
115.92039	1.0
297.86444	0.4
398.49374	0.4
442.34155	0.9
455.35437	22.6
456.35968	0.5
540.33228	79.0
541.26367	0.9
541.33661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83242	1.0
53.55191	0.9
55.52053	1.0
55.69611	0.9
59.01388	6.7
60.99311	19.0
65.15520	1.0
71.01393	4.5
77.58106	0.9
87.00867	1.3
88.98804	100.0
89.02443	12.1
96.96023	7.5
101.02445	2.6
102.94020	1.0
119.03461	1.1
121.26029	1.0
122.89411	1.3
139.83987	1.2
148.90952	1.4
149.04607	1.2
161.02464	2.0
203.68269	1.0
222.90688	1.2
241.05069	9.4
243.03006	1.8
255.11136	1.3
256.07391	6.0
258.05136	1.8
271.02652	1.6
271.09930	9.5
301.07288	15.2
316.09412	8.3
316.35645	1.2
331.11899	19.9
379.14230	1.8
395.70435	1.3
451.18045	1.7
481.19125	1.7
501.19333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.5
57.03471	1.8
58.00628	1.0
59.01397	81.5
69.03471	2.1
71.01392	51.6
72.99297	3.2
73.02942	7.1
75.00885	1.4
77.56816	0.8
77.75320	0.9
81.03468	1.1
83.01408	6.3
85.02963	14.9
86.77790	0.9
87.00881	11.7
89.02451	46.5
92.01334	1.0
93.03490	3.7
95.01405	5.6
95.05054	1.0
96.96034	3.8
97.02930	1.0
99.00887	5.3
101.02448	34.4
111.00901	1.3
113.02462	19.5
115.00373	4.1
119.03509	17.0
121.02961	35.9
121.06596	4.6
123.08170	55.8
125.02483	1.9
129.01973	1.1
131.03517	5.7
131.05026	2.0
134.03810	1.5
135.04544	6.2
135.08156	1.9
137.02423	2.2
141.07172	1.0
145.06670	0.9
149.02379	0.9
149.04608	1.4
151.07719	0.9
153.05550	1.2
159.03033	3.5
159.08160	17.9
159.11188	1.0
161.04564	9.2
161.09691	1.9
166.99870	1.1
177.09227	4.3
179.03563	1.1
179.05515	1.7
182.02223	1.4
182.05862	3.7
183.59233	1.0
184.29257	1.0
191.05679	4.3
196.81537	0.9
197.04520	1.2
197.08229	1.6
217.12363	3.8
221.06657	7.6
224.53470	0.9
237.03995	2.2
253.16019	3.9
269.15466	1.3
277.15674	1.1
279.14084	1.8
281.15549	16.0
299.16614	1.7
305.15463	12.8
311.16602	4.7
323.16498	3.8
329.17630	3.8
341.08731	3.9
341.17493	6.6
345.47830	1.0
347.16910	1.9
359.18637	6.4
379.21164	5.1
475.23309	4.0
479.21573	13.8
481.40213	1.0
491.23199	18.5
503.15979	1.4
503.22964	23.9
521.24036	20.3
539.18054	6.1
539.25110	100.0
540.25598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48594	0.4
54.11842	0.4
54.87353	0.5
55.01885	4.6
55.92388	0.5
57.03461	2.6
58.00613	1.0
59.01390	30.4
61.98846	0.6
65.00250	0.4
69.03454	0.8
71.01385	33.8
72.99317	1.2
73.02946	16.3
75.00895	2.9
81.03452	0.5
82.41551	0.5
83.01392	8.0
83.05072	0.5
85.02957	15.1
86.00113	0.8
87.00880	2.6
89.02446	16.9
93.03466	2.1
95.01405	2.8
97.02963	2.8
99.00883	7.4
101.02443	28.7
110.81232	0.5
111.00886	1.3
113.02459	11.8
115.03956	0.9
119.03500	2.6
121.02962	1.1
122.03813	0.9
122.97523	0.7
123.00902	2.8
125.02458	3.4
129.01981	0.7
131.03525	2.4
137.02458	3.1
143.03543	1.1
145.03014	1.1
149.02454	3.4
149.04544	2.2
150.03262	9.4
159.03044	2.0
161.04596	5.4
164.04828	2.6
165.05580	8.4
179.05650	1.1
185.11879	4.9
191.05638	2.5
195.06659	2.1
233.06700	0.8
270.80536	0.6
314.11588	1.9
329.13647	1.9
347.17178	44.9
356.80295	0.5
464.07333	0.5
465.92819	0.5
479.21451	100.0
480.21606	0.9
491.19440	7.0
503.25009	2.4
539.21838	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	539.227
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
51.82053	2.5
55.01890	3.0
59.01388	89.0
60.99324	3.9
61.98842	4.7
71.01385	43.8
73.02965	14.9
74.72381	2.9
83.01389	5.2
85.02972	16.1
87.00871	3.3
88.98804	31.6
89.02444	49.7
93.03461	3.6
99.00893	12.1
101.02433	24.8
104.92194	2.9
110.60941	3.2
112.41476	3.7
113.02458	13.2
114.93424	5.8
119.03513	3.4
131.03450	5.7
149.04582	29.3
161.04549	5.2
173.04619	3.5
191.05615	16.5
230.24106	3.4
262.09903	3.5
444.31528	3.3
479.25232	7.4
479.31494	5.1
479.36780	7.0
490.22327	3.5
503.25027	19.6
539.22888	100.0
539.31793	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	539.2275
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
55.01877	3.3
59.01388	60.7
61.98829	22.8
66.84937	2.3
71.01382	39.9
73.02956	10.6
78.18641	2.9
83.01406	4.8
85.02969	18.6
88.98802	6.6
89.02465	32.9
96.96025	4.5
99.00869	11.5
101.02431	26.6
113.02467	12.1
116.92870	7.1
118.72231	2.7
119.05029	6.4
134.06088	4.0
135.04509	6.6
149.04614	11.8
159.04427	3.0
161.02432	3.7
161.04648	4.0
163.04019	3.2
164.04631	3.0
173.04553	5.6
174.57549	2.9
179.03532	4.6
191.05656	19.5
193.04996	3.0
286.60034	3.3
436.82562	3.3
452.52078	3.3
479.25027	36.7
503.25012	49.8
539.22809	100.0
539.30432	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	539.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
57.03452	1.5
58.00597	1.2
59.01393	22.5
61.98832	14.3
65.00333	1.2
67.01879	1.7
69.03423	0.9
71.01385	23.4
72.99302	1.5
73.02956	6.7
73.03299	0.8
75.00861	3.8
81.03446	4.9
83.01383	5.6
85.02960	9.5
87.00865	4.4
88.98795	4.1
89.02457	13.5
91.01887	0.8
93.03462	3.2
95.01388	13.2
96.96009	8.3
97.02942	2.1
99.00854	4.6
101.02441	14.6
107.01390	11.7
108.02196	1.2
109.02924	5.0
111.00870	5.0
113.02470	7.4
115.03950	0.8
119.03490	3.2
121.02957	24.0
122.00083	1.5
123.00883	55.3
123.04459	1.8
123.84453	0.9
124.01662	10.1
125.02390	5.3
127.00350	1.7
128.67484	0.9
133.02931	1.1
134.03656	1.6
135.04497	2.0
136.98769	1.8
137.01451	1.2
137.02437	27.3
137.99510	1.5
138.03238	30.4
139.00404	6.0
139.04016	16.4
141.01892	2.0
149.02394	1.7
149.04480	2.0
149.06015	1.4
150.03218	1.1
152.01114	1.7
153.01933	7.4
153.04437	1.3
153.05580	27.6
155.03551	6.1
155.10710	1.3
161.02368	1.0
161.04474	3.4
164.11938	0.9
165.01915	6.0
165.05559	1.8
166.02559	1.0
166.99866	50.5
167.03503	4.1
168.00665	14.6
169.01410	1.5
177.01862	1.1
179.03485	2.0
180.04240	4.5
181.01442	23.5
182.02226	100.0
183.02992	46.6
185.05997	3.6
191.05663	6.5
194.05702	1.0
195.02853	1.1
195.06569	3.7
196.03770	24.4
197.04564	98.4
211.06140	13.3
212.06839	1.2
225.07512	1.1
251.05261	0.9
276.01205	1.0
293.08762	0.9
311.07541	1.7
312.04816	1.6
326.06378	4.7
327.07245	51.8
341.08786	30.0
347.16995	3.6
479.21347	24.3
539.13861	47.8
539.26642	2.9
539.34576	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	538.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00157	1.4
53.29745	1.4
53.37513	1.2
56.09275	1.2
61.98837	100.0
62.56916	1.5
65.73463	1.4
72.31001	1.4
81.52261	1.6
130.87440	1.5
217.20326	1.7
331.27481	2.0
453.33960	14.2
456.35422	8.9
538.31415	62.4
544.94910	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	538.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56730	0.4
57.72708	0.4
58.70067	0.4
59.01382	4.6
60.01715	0.5
61.98836	100.0
62.38750	0.4
70.60877	0.4
84.72327	0.4
85.83993	0.5
94.13661	0.5
168.57149	0.5
199.39095	0.5
272.76184	0.5
281.45880	0.5
320.43320	0.5
456.84583	0.5
498.35889	0.6
502.32626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66323	1.2
56.94304	1.1
58.00624	1.4
59.01104	2.5
59.01394	41.5
59.32056	1.1
71.01398	32.8
72.59312	1.1
73.02945	2.5
75.00894	5.1
75.25888	1.1
85.02975	7.7
87.00903	8.9
88.64365	1.1
89.02452	53.1
89.72701	1.4
92.08376	1.3
92.10810	2.8
96.96986	2.5
97.02947	1.3
101.02444	25.2
104.71419	1.3
105.01951	1.3
113.02458	17.6
119.03487	11.0
129.01990	2.3
131.03459	1.6
143.03569	1.8
149.04683	1.5
161.04590	8.1
179.05658	28.5
195.05121	11.5
197.05621	2.6
221.06696	23.9
280.25803	1.4
320.40604	1.4
323.09769	2.6
341.10861	2.9
348.50064	1.3
352.98117	1.4
377.08588	13.1
480.07809	1.5
503.16309	100.0
539.13953	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.3
61.98832	0.7
66.03442	0.3
74.01172	0.3
133.11035	0.3
169.76653	0.3
313.95529	0.3
407.33252	1.7
455.35394	100.0
456.35721	2.0
537.35724	55.4
538.36090	0.7
558.93524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.0
54.66151	0.9
59.01392	1.9
61.98840	4.8
102.22613	1.0
111.52805	1.1
127.28944	1.1
250.81204	1.2
455.35391	100.0
537.35754	59.4
549.46191	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	537.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17411	0.2
52.24950	0.2
52.64975	0.2
53.13748	0.2
59.01406	1.0
61.98845	0.5
83.48358	0.2
91.38228	0.3
125.25100	0.2
127.31287	0.2
154.45647	0.3
225.11014	0.3
238.40834	0.3
251.00514	0.3
261.48877	0.2
455.35382	100.0
456.35889	1.9
530.48663	0.3
537.35712	46.6
538.36353	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	537.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33362	1.5
53.30534	1.3
55.01893	11.1
57.03456	2.6
59.01384	100.0
71.01384	76.2
72.99335	1.8
73.02946	21.2
75.00881	3.2
81.03477	1.9
83.01383	14.8
85.02950	38.9
87.00874	7.5
89.02445	50.9
91.04946	1.9
95.01385	7.7
97.02973	3.2
99.00888	9.3
101.02444	66.3
113.02469	40.1
119.03532	17.3
131.03525	7.2
143.03513	3.2
159.03006	2.6
161.04601	22.1
179.05617	25.8
191.05630	7.2
221.06705	22.7
222.38255	1.9
263.07755	11.8
369.06833	1.6
477.18393	4.6
477.23532	91.1
477.29843	4.8
537.32574	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	537.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	73.0
61.98825	100.0
64.49215	7.6
66.97604	7.8
92.10772	15.1
116.48326	9.6
147.31963	9.7
174.19118	10.3
201.00827	8.7
405.91870	10.5
407.39951	9.7
501.32388	12.5
537.30139	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.66674	0.3
61.98832	1.2
66.83697	0.2
71.55850	0.2
294.76471	0.3
355.90115	0.3
356.93167	0.3
441.33832	2.5
455.35413	100.0
456.35974	1.9
537.35767	46.9
538.35968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96019	1.1
52.89297	1.1
57.03455	1.5
58.00603	1.7
59.01389	65.7
61.98843	3.5
68.99572	1.8
69.03478	2.0
69.23431	1.2
71.01388	47.0
72.99316	1.8
73.02941	20.1
73.03231	1.3
75.00855	1.9
78.95938	2.6
84.95138	9.3
85.02950	10.5
87.00888	2.3
88.98813	8.5
89.02443	93.7
93.03481	2.0
96.96011	100.0
96.96948	3.1
97.02961	1.7
98.95583	2.1
99.00889	31.4
101.02438	25.9
109.02965	9.4
113.02458	5.7
119.03510	3.2
121.02924	11.6
123.04528	2.2
125.02454	7.6
131.03467	12.6
135.04541	2.0
136.01675	10.6
149.04564	32.8
151.03995	6.8
153.05595	14.6
161.04633	2.5
161.05869	1.4
164.04750	2.3
165.01949	3.0
171.04436	1.6
175.03870	1.8
183.10277	19.3
189.05598	1.9
190.06401	1.7
191.05647	22.0
191.07158	2.8
198.80803	1.5
210.88028	1.6
221.06653	1.6
233.06602	1.9
251.07475	3.1
267.06638	19.2
279.06577	1.7
282.08945	15.9
293.08749	10.9
294.08951	2.9
297.11349	29.0
311.09259	1.8
312.10083	3.3
315.10782	2.9
327.12320	15.0
345.13431	9.3
357.13470	3.0
375.14474	11.0
452.50778	1.8
477.19598	2.9
519.24036	1.8
537.25824	44.8
551.50641	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	537.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
56.36351	0.5
57.03447	5.1
57.22678	0.5
58.00597	2.5
59.01385	67.5
59.35323	0.6
61.03197	0.6
61.98840	1.0
69.03466	1.0
71.01385	47.6
72.99331	1.4
73.02953	19.8
81.03455	0.8
83.01431	1.6
83.05067	1.1
85.02956	7.4
89.02452	100.0
92.10874	1.5
96.95991	2.4
97.02945	1.0
99.00882	34.5
101.02451	24.7
109.02986	1.7
112.05335	1.4
113.02464	8.3
119.03479	3.8
125.02471	6.8
129.92004	0.8
131.03487	9.9
134.07381	1.4
135.04607	0.9
135.08176	1.0
136.01660	1.5
139.07639	1.5
145.02975	0.7
149.04565	29.5
149.09732	22.4
151.04001	1.6
153.09258	9.2
161.04509	1.5
167.10773	20.3
173.04782	0.8
191.05626	12.4
221.06683	1.4
232.30736	0.8
233.06680	3.2
250.06476	0.7
251.07675	3.6
267.06702	6.0
279.06625	0.9
282.08908	5.8
293.08859	5.4
297.11331	9.8
314.76559	0.7
319.01297	0.7
327.12381	3.9
330.81104	0.8
345.13422	3.8
375.14468	3.4
405.21271	1.4
477.19879	1.5
494.14029	0.7
537.25598	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50634	7.0
57.47476	6.9
59.01400	55.7
61.07862	8.0
63.32378	7.2
68.68269	7.3
69.41218	7.3
71.01399	16.8
72.36357	7.0
92.10777	26.5
108.02163	14.6
120.45242	8.4
122.51582	7.4
129.61093	9.7
135.00922	11.0
152.01196	13.4
155.03633	8.9
178.71838	7.9
191.05673	41.4
205.36916	8.4
243.06619	100.0
501.23218	12.9
537.21460	91.7
537.29370	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	537.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98853	6.1
67.18949	5.0
68.17776	5.0
68.99571	64.7
71.01387	40.1
73.02962	17.9
85.02969	22.5
88.98817	5.1
89.02449	51.4
99.00900	19.4
101.02447	31.6
112.98569	47.0
113.02516	7.0
121.02945	11.6
125.02289	4.8
131.03520	5.6
132.17030	4.8
135.04535	7.6
149.04602	11.6
173.04607	5.7
186.98720	5.5
191.05591	26.8
192.01898	4.6
257.36896	5.0
287.22183	8.0
311.10007	5.4
347.03662	5.1
360.12750	5.2
430.82971	5.0
537.21655	58.8
537.31543	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	537.2569
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
54.82512	2.4
59.01387	57.5
59.01650	2.5
59.73186	1.7
67.63844	1.9
71.01392	39.0
71.06608	1.6
73.02948	14.6
83.01456	2.2
85.02981	9.8
86.10305	2.0
87.00894	2.2
88.41280	1.8
89.02449	72.0
96.96039	13.4
99.00887	27.9
101.02458	26.8
113.02487	8.8
113.25743	2.0
119.03503	3.4
131.03494	2.7
147.34805	1.9
149.04596	19.2
151.07535	2.0
191.05653	38.1
251.07484	2.5
307.55359	2.3
310.53177	2.3
405.21149	4.7
537.17889	3.4
537.25690	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	537.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61716	2.7
58.46300	2.7
59.01380	25.4
61.54916	2.8
62.89667	2.5
69.07344	2.9
71.01403	19.6
73.02966	7.6
80.87420	3.5
82.13460	2.8
86.43415	3.2
89.02450	63.4
99.00903	6.6
101.02471	14.8
105.31223	3.1
137.06908	3.2
145.09776	3.9
149.04594	33.5
159.40971	4.0
191.05614	7.9
203.05267	3.4
221.06723	6.3
251.07596	5.0
304.50034	3.5
311.09842	6.0
395.83066	3.8
418.27118	4.0
442.87958	3.5
537.21222	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	537.2118
Annotation	11beta,12alpha-Diacetoxycedrelone
Peak:m/z	Relative Intensity
59.01393	25.6
61.76654	1.9
62.39175	1.9
71.01403	15.8
73.02966	5.2
78.17960	2.5
89.02455	48.1
92.10776	5.4
99.00893	11.2
101.02461	12.0
131.03548	2.7
132.43153	2.2
149.04587	36.9
184.31689	2.6
185.16522	2.4
191.05595	10.4
212.53471	2.4
221.06673	10.8
251.07671	9.3
311.10007	5.2
537.21155	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	537.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69673	2.0
55.01854	2.1
56.99070	1.9
59.01388	56.5
59.01661	4.1
63.96260	4.9
71.01386	41.7
72.99304	4.7
73.02956	16.4
75.55061	2.2
81.39149	2.1
85.02971	11.5
89.02445	74.5
89.02934	4.2
96.96014	5.9
97.02940	3.8
99.00883	19.7
101.02444	28.8
113.02473	3.9
117.97285	3.3
120.99659	3.7
123.00816	3.4
124.01645	10.8
125.02461	29.3
131.03568	5.4
135.98341	9.7
137.02509	3.1
138.46109	2.3
143.03452	3.6
149.02557	2.9
149.04588	41.6
149.15880	2.7
149.99631	23.5
161.04521	3.1
168.00653	35.6
190.92682	2.6
191.05669	14.2
221.06718	5.7
244.82036	2.6
251.07921	3.3
281.03864	2.5
293.08844	5.2
308.30011	2.4
311.10028	3.5
331.06693	4.7
352.51053	2.4
352.55899	2.4
477.23523	38.5
537.12561	48.7
537.21283	100.0
537.32794	5.2
541.70343	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	537.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
59.10054	0.6
61.98838	1.4
71.01397	5.0
73.02955	1.1
82.95441	1.3
85.02978	2.7
87.00880	0.7
89.02453	7.7
92.10825	0.8
96.96023	9.5
99.00910	2.6
101.02464	2.5
110.00144	1.7
113.00990	1.1
113.02477	2.5
116.92918	1.1
125.02539	0.6
131.03476	0.6
141.01720	36.9
153.00844	0.6
153.01939	5.5
161.04562	0.9
170.73364	0.7
172.95932	0.6
177.02042	1.3
179.05629	3.1
183.01445	0.8
228.68135	0.7
285.08405	4.0
342.81543	0.6
342.97623	0.7
395.15643	14.4
417.12732	0.9
417.29013	0.8
477.14871	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95506	0.3
58.57579	0.3
58.65587	0.4
59.01392	4.7
61.98840	0.5
65.24626	0.4
71.01397	0.8
74.41133	0.4
75.26768	0.4
75.97607	0.4
78.87947	0.4
80.02682	0.5
80.35548	0.4
89.02460	0.6
91.01904	19.7
92.10772	0.6
100.25281	0.4
101.02451	0.6
107.01459	0.4
107.05027	0.8
108.01456	0.8
108.02189	23.2
109.02979	6.1
121.02946	0.6
123.00881	6.6
124.01651	0.5
135.00902	18.3
137.02446	3.1
144.86403	0.4
146.95924	3.3
152.01170	21.3
152.02377	0.9
152.33760	0.5
153.01965	0.7
169.06621	0.5
182.39777	0.5
190.94856	3.3
197.06117	1.8
199.07701	0.5
213.05592	1.7
215.07242	0.7
243.06654	100.0
244.07014	0.8
341.80234	0.5
429.10608	2.1
501.23145	0.6
537.15662	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	537.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55724	0.2
55.25577	0.2
57.03446	0.3
59.01382	0.9
60.33415	0.2
68.16045	0.1
71.01378	0.7
72.99302	0.3
75.00874	4.6
78.95903	36.0
85.02955	0.9
87.00864	1.9
89.02436	0.7
96.96064	6.5
96.96960	100.0
99.00876	0.9
102.79486	0.2
105.01920	1.4
129.01956	2.4
132.99644	0.3
147.02975	0.4
151.00743	1.3
158.92543	1.8
159.02989	0.9
165.04173	0.3
176.93608	8.1
177.04039	0.7
191.05630	0.8
192.05989	0.8
193.03369	0.2
193.06010	0.3
194.94678	8.4
195.03490	0.5
195.05112	12.5
352.80942	0.2
370.82065	0.2
439.08652	10.8
504.09961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94452	0.3
57.20465	0.3
59.01390	3.1
65.00348	0.6
67.58673	0.5
71.01383	0.7
71.31526	0.4
78.61845	0.3
85.02984	0.5
91.01891	19.0
93.03428	0.6
95.01389	0.5
108.02184	23.5
109.02962	6.2
121.02933	0.6
123.00871	7.8
124.01616	0.6
135.00880	16.5
137.02454	4.2
137.03392	0.4
146.95901	1.8
152.01163	22.1
153.01990	0.5
166.89780	0.4
190.94870	2.6
191.05632	0.7
197.06140	1.8
213.05603	1.6
215.07115	0.6
243.06636	100.0
294.98450	0.5
429.10474	2.7
537.15814	8.8
537.29211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	100.0
60.31040	0.3
61.98852	0.5
70.10387	0.3
77.04597	0.3
77.82169	0.3
85.80343	0.3
88.98323	0.3
92.10180	0.4
136.71838	0.3
179.69911	0.3
214.94083	0.4
453.33777	2.2
475.37930	1.2
535.34106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14708	0.9
59.01390	27.1
60.08366	0.9
61.98841	22.0
62.76348	1.0
69.03479	0.9
71.01388	16.9
72.99312	1.6
73.02959	5.6
75.00847	1.6
77.69640	1.0
78.50956	1.0
85.02960	8.0
87.00896	2.1
88.98795	1.4
89.02444	15.3
93.03461	7.1
96.96027	2.3
99.00877	5.4
101.02441	7.5
108.04553	8.8
113.02454	4.4
117.03474	4.7
119.03519	1.6
119.05008	2.1
121.02946	2.4
125.02437	1.2
132.02155	1.6
132.04597	1.8
133.02966	18.1
134.03752	68.1
135.04562	18.2
136.01604	8.1
136.04025	6.7
137.02472	4.1
147.04515	12.7
148.05328	9.1
149.04779	2.9
149.06076	16.7
150.03253	2.1
151.04008	6.6
158.03737	5.5
160.01675	20.9
160.04051	5.8
161.02461	33.9
161.04495	1.7
162.02797	13.3
163.03967	2.4
173.04520	6.5
173.05920	3.1
175.04005	29.5
176.04790	37.0
177.01874	7.7
177.05559	1.2
178.02733	9.2
179.03424	6.5
180.03954	1.5
191.05579	22.9
191.07156	46.4
192.04269	5.1
192.06000	1.5
193.05086	69.1
207.06651	18.2
220.03806	9.3
235.06134	79.3
265.07312	10.9
281.04282	1.1
295.08191	12.9
316.10275	1.8
323.07727	5.8
324.08127	6.7
355.10431	1.3
492.15271	1.8
503.16519	1.2
504.16827	2.1
518.13739	2.1
536.14215	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	535.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98830	4.4
61.99124	0.3
67.26600	0.2
67.49346	0.2
79.53725	0.2
88.03542	0.3
97.06573	1.7
110.45770	0.2
117.33379	0.2
145.02939	1.7
301.54648	0.3
317.57312	0.3
358.52664	0.3
359.29626	1.0
389.57938	0.3
445.37064	0.3
458.40848	0.3
461.25314	0.3
475.38831	4.3
535.32379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.90587	0.3
61.98835	0.6
63.99277	0.3
66.02479	0.3
80.82257	0.3
84.75221	0.3
109.14934	0.3
164.25916	0.3
471.02942	0.4
475.37399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15538	0.5
54.82348	0.5
59.01384	100.0
60.01699	0.5
61.98834	34.2
71.05038	0.9
97.06590	1.0
115.07698	1.2
133.45212	0.6
187.15393	0.7
453.33600	2.8
475.37988	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	535.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16330	0.6
59.01386	100.0
61.98837	14.3
66.31244	0.8
85.11245	0.9
87.65154	0.8
92.10168	1.8
103.00382	4.9
117.03579	0.9
119.05084	0.9
145.02933	1.5
154.38287	0.8
158.54739	0.8
251.42477	0.9
270.59027	0.9
289.09909	1.0
307.33127	1.0
475.33963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80979	0.8
57.03494	0.8
59.01385	100.0
61.98833	15.7
61.99124	1.0
75.45612	0.8
85.06631	1.0
95.05020	1.0
97.06583	19.7
110.01008	0.7
139.16937	0.9
162.88036	0.8
179.36649	0.8
291.23190	1.0
357.28091	1.9
359.29681	6.9
404.55621	1.0
445.36847	4.2
473.32333	1.0
475.38181	51.0
499.30338	1.0
535.29333	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	535.3283
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
54.39734	0.3
55.02000	0.6
57.03305	0.8
57.03593	0.9
58.00429	2.3
58.00757	3.0
59.01215	6.9
59.01548	9.3
59.45916	0.4
65.67015	0.4
67.01704	3.5
67.02124	2.5
69.03327	0.4
71.01244	0.8
71.01576	0.5
73.02752	7.2
73.03213	5.0
80.79871	0.4
81.03247	6.6
81.03790	3.3
83.04820	15.4
83.05376	7.6
84.01962	3.7
84.02531	2.1
85.02732	4.5
85.03308	2.1
87.74810	0.3
88.96504	0.4
93.03218	2.0
93.03861	0.8
95.01203	0.5
97.02768	0.7
111.04254	11.9
111.05117	3.3
146.75537	0.5
188.08899	0.4
249.18304	0.7
249.99158	0.4
271.20383	2.5
289.21448	2.7
291.23300	3.1
311.73340	0.5
313.21426	0.5
317.21152	0.6
319.22470	2.3
327.23337	0.5
349.23685	2.4
369.32895	0.5
461.29025	2.7
463.30798	0.8
475.30609	0.6
479.30185	3.9
493.31802	100.0
494.32135	1.8
507.33279	3.5
517.31787	69.0
518.32117	2.0
535.32837	20.6
536.32782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.1
61.98852	1.8
66.74677	0.2
83.59030	0.2
92.10159	0.4
96.39570	0.2
112.91844	0.3
114.92522	0.2
116.58102	0.2
116.81033	0.2
116.92823	0.3
152.65164	0.2
176.48685	0.2
209.21552	0.2
229.31834	0.2
236.55315	0.2
453.33810	100.0
454.34027	1.5
535.34137	42.8
536.34528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.329
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
51.85427	2.3
59.01387	100.0
60.44748	2.3
61.98874	3.5
73.02975	10.4
81.03461	6.7
83.05031	24.4
84.02200	16.2
84.15762	2.5
87.04556	3.8
111.04544	6.1
125.35442	2.7
178.68202	2.8
199.84035	2.6
214.13042	3.1
271.13623	2.8
301.21844	31.0
349.24066	4.6
389.72006	3.2
459.80142	4.5
461.29285	15.6
475.34451	19.9
493.31754	59.1
517.31873	41.0
535.33014	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	535.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47492	0.2
55.01868	0.3
56.44558	0.2
59.01384	4.1
60.99320	0.6
63.96253	1.1
65.70579	0.2
66.95919	1.4
67.01889	1.4
69.03452	0.4
71.01378	4.0
71.22251	0.3
72.99328	0.3
73.02953	0.7
75.00888	0.3
80.91665	0.6
82.95420	100.0
83.26202	0.3
85.02955	3.0
87.00875	2.3
87.04510	0.5
89.02429	2.4
92.10090	0.9
93.03456	13.3
99.00919	0.5
101.02435	2.2
101.06017	0.3
107.92828	0.3
109.02988	0.5
111.04497	2.2
113.02446	1.7
117.97314	0.5
119.03524	0.4
133.02966	0.4
134.03731	0.5
135.04507	0.4
135.98322	1.3
137.09732	1.7
149.04451	0.4
151.00511	0.3
153.01918	1.7
155.10791	6.4
156.93173	0.3
161.02420	1.6
161.04572	1.2
173.04506	3.0
175.04019	0.4
179.03415	0.6
184.53397	0.3
191.05624	9.2
193.05055	0.4
199.09782	1.8
203.69601	0.3
208.60081	0.3
241.10910	1.2
475.21912	2.9
535.20496	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	535.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03457	1.5
58.00627	1.1
59.01388	62.7
61.98836	10.1
67.01915	1.0
69.03481	1.4
71.01386	44.4
73.02950	16.0
73.03302	0.9
75.00901	3.1
81.03463	0.9
82.95454	1.2
83.01406	1.8
84.95158	0.8
85.02964	7.7
87.00909	5.1
89.02448	100.0
93.03461	11.8
96.96008	7.1
97.03012	0.8
99.00887	29.5
101.02449	29.7
101.03087	1.2
111.04543	1.7
113.02454	7.9
115.04022	1.0
119.03517	1.7
121.02979	5.6
121.06644	1.1
125.02474	5.4
131.03542	10.6
133.02963	11.5
134.03749	6.0
135.04515	10.6
136.01665	1.5
137.02441	1.6
137.09734	1.6
139.07655	1.5
143.03461	1.3
145.03029	1.5
149.04579	31.2
149.05899	2.2
150.03265	0.9
151.04036	1.5
155.09555	0.8
155.10745	6.3
160.01707	0.9
161.02466	31.2
161.04544	2.9
164.04829	1.2
165.05295	0.9
173.04564	13.5
175.04012	1.9
179.03549	5.3
179.05602	0.8
179.07135	1.6
181.08693	1.8
191.05661	20.3
193.05038	0.9
199.09811	3.2
221.06671	7.1
223.13371	1.4
233.06747	1.6
251.07738	5.5
273.20084	0.8
293.08899	9.3
311.09973	9.1
323.07800	5.5
373.14941	1.8
395.70871	0.8
473.14731	5.3
475.18161	33.8
489.19635	3.7
505.13708	1.3
517.13647	3.8
535.14282	1.9
535.24805	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	535.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31267	0.4
59.01390	34.1
71.01377	0.6
73.02987	0.5
79.95747	0.5
85.02966	1.0
89.02463	1.9
93.03477	2.2
96.96013	30.3
98.67597	0.5
99.00912	0.4
117.05605	0.6
121.02972	0.7
122.03743	5.1
133.02946	0.6
136.01726	0.7
137.02460	0.9
149.02458	2.1
150.03256	51.5
151.04033	0.9
165.05598	100.0
173.04614	0.6
177.05547	0.5
182.05882	0.8
191.03796	1.2
191.05655	13.4
197.08234	1.1
207.27730	0.5
209.04637	0.9
213.07758	13.1
213.09656	0.9
227.09377	0.6
277.36508	0.5
294.15973	0.4
353.08951	1.0
535.16724	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	535.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91369	0.1
58.88868	0.1
59.01397	0.5
60.06253	0.1
66.94473	0.1
78.95910	3.4
79.95744	1.6
82.95428	3.7
94.66806	0.1
96.96008	100.0
96.96896	5.2
97.12723	0.1
98.95597	0.3
101.02453	0.2
116.92831	0.2
136.01642	1.0
149.06053	0.6
151.03996	0.7
191.05602	0.3
193.04999	0.2
219.03104	0.2
337.05783	0.2
410.03253	0.2
499.11035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.3
66.02365	0.1
78.95910	3.4
79.95736	1.5
81.79539	0.1
82.95444	0.1
96.96016	100.0
96.96908	5.6
98.95643	0.3
151.04027	4.0
181.45544	0.1
191.05571	0.2
195.42224	0.1
219.16963	0.2
251.38609	0.1
297.26599	0.2
313.09213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1963
Annotation	Gomisin G
Peak:m/z	Relative Intensity
50.55009	2.0
52.45710	2.2
58.13919	2.1
59.01390	50.5
64.98747	2.2
68.22038	2.1
71.01377	24.8
73.02953	10.2
89.02446	73.5
92.10091	5.5
92.65543	2.5
99.00890	17.3
101.02449	22.9
113.02455	2.5
120.99670	4.6
131.03516	5.5
149.04555	61.5
161.04524	3.9
191.05659	19.3
221.06706	16.1
251.07721	9.9
290.31702	2.8
293.08636	2.8
311.09857	16.9
331.29037	2.6
373.18613	5.5
387.64029	3.0
535.19604	100.0
549.00360	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	534.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29718	0.2
58.72495	0.2
59.01388	9.5
60.01721	0.9
61.01810	0.9
61.70524	0.2
61.98837	100.0
66.18694	0.2
84.82320	0.2
95.51063	0.2
113.95587	0.2
126.74364	0.2
166.49225	0.2
232.00111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76118	0.5
53.32436	0.6
53.79601	0.5
56.79284	0.5
59.01387	55.7
60.01463	0.5
60.01734	3.8
60.64855	0.4
61.01826	0.7
61.98837	100.0
63.39729	0.5
78.95900	0.9
80.97623	0.7
92.10121	0.6
117.03485	0.9
125.50532	0.6
132.53587	0.6
145.02992	4.9
146.03323	0.7
226.68542	0.6
279.23361	3.8
283.16016	0.7
354.14862	0.7
411.32791	0.7
418.00946	0.7
456.31790	0.8
460.28104	0.9
471.34949	3.1
472.35159	10.3
473.35834	5.8
474.36819	7.9
476.27954	1.2
532.65790	0.6
534.31586	1.4
558.03326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82135	0.4
59.01386	18.7
60.01728	0.8
61.98836	100.0
69.38254	0.4
96.15366	0.4
108.01532	0.4
116.92886	0.5
123.00539	0.5
133.77994	0.4
426.06155	0.4
470.33563	1.0
474.33047	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	23.1
59.01654	1.2
60.56273	0.6
61.02021	0.7
61.98837	100.0
83.74091	1.0
99.26476	0.8
102.89629	0.8
145.02980	1.4
154.26656	0.9
202.41876	0.8
204.77803	0.9
290.92853	0.9
296.79868	0.9
442.34128	1.5
472.35330	3.4
474.32910	1.5
498.33636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18568	1.5
58.68314	1.5
59.01386	100.0
61.98837	22.8
61.99077	1.4
71.05029	1.5
72.99314	2.0
88.34456	1.9
90.45477	1.6
96.04805	1.8
145.02953	3.2
145.87846	2.1
183.29189	1.6
246.41028	2.0
360.12933	1.9
387.29306	1.9
425.34329	9.5
427.31897	2.6
441.33841	26.9
442.34305	8.5
443.34531	17.3
453.33554	7.4
455.34622	3.3
471.34818	25.0
472.35327	12.2
473.36432	70.0
487.34348	70.9
533.31683	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3857
Annotation	Concentricol D
Peak:m/z	Relative Intensity
59.01386	100.0
59.95494	0.3
60.01722	0.4
60.07883	0.2
61.98829	3.0
73.02940	0.4
83.05063	0.3
88.87330	0.3
92.10147	0.6
137.35423	0.3
189.12920	0.4
191.14401	1.6
260.64795	0.3
359.25699	0.5
399.32596	0.3
411.32755	0.3
429.33890	0.4
443.29944	0.4
443.35483	9.2
455.35730	0.6
473.37183	9.3
533.30670	0.5
533.38379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.386
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
51.01653	0.6
55.64972	0.5
58.21975	0.6
59.01387	100.0
60.01731	0.7
61.18052	0.7
61.98841	7.2
68.90330	0.7
70.86245	0.6
70.86668	0.8
90.95551	0.8
106.11147	0.7
136.98926	0.7
194.12503	0.9
250.94583	0.8
311.10101	0.7
440.57468	0.7
471.34564	3.4
473.36737	17.2
533.31189	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	534.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38284	0.4
52.05655	0.4
59.01393	27.0
59.26504	0.4
59.79769	0.5
60.01716	0.8
61.98842	100.0
70.03185	0.6
78.09753	0.5
94.69701	0.5
117.03497	0.6
119.05013	0.8
145.02989	7.4
146.03273	3.0
382.08939	0.6
399.10846	0.7
409.20465	0.6
419.46503	0.7
473.36176	0.8
534.31909	3.9
534.38885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3131
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
53.60286	1.2
53.64234	1.0
59.01389	75.4
61.98837	50.3
69.72200	1.1
80.49127	1.2
117.03481	23.4
119.05057	13.5
121.02972	2.6
128.04291	1.3
141.21135	1.1
145.02974	100.0
163.04030	6.0
313.23904	8.5
340.65039	1.4
373.27640	7.2
441.26447	21.0
459.27625	10.1
473.32455	2.2
473.36542	2.2
487.34467	2.9
533.31329	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87472	0.5
53.11627	0.6
55.01895	1.3
57.03461	1.1
57.85769	0.5
59.01393	20.6
65.03983	1.4
65.37883	0.5
67.01904	32.4
69.03469	1.1
71.05023	0.7
81.03463	17.1
83.05041	44.8
84.02180	3.1
85.02981	4.8
92.10180	1.8
93.03458	12.9
95.01391	19.6
95.05032	0.9
97.02947	0.7
109.02936	1.2
111.04537	16.3
121.02953	6.8
121.06519	1.2
122.03752	10.1
123.04524	2.7
149.09712	1.2
221.70900	0.8
225.09270	9.9
226.10017	0.8
247.17021	2.6
249.18492	4.7
261.14749	0.9
263.16519	1.0
321.18713	2.9
325.21841	0.8
327.23337	1.2
337.18170	6.2
339.74905	0.6
345.24393	1.1
353.21075	1.1
361.23611	0.7
425.25446	2.6
467.91812	0.7
471.30939	2.8
473.32849	6.0
481.25955	7.3
487.30832	2.6
489.28400	5.3
489.32657	5.8
497.21710	1.5
497.29178	47.8
515.30212	100.0
516.30640	3.1
533.31244	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00096	0.4
55.01885	3.4
57.03453	4.8
59.01389	14.3
61.98836	0.9
62.75190	0.6
65.03961	1.2
65.05882	0.6
67.01904	9.7
69.03458	7.5
69.68359	0.6
71.01387	2.4
73.02944	5.5
74.27940	0.6
81.03458	19.4
83.05031	48.0
84.02172	12.1
84.18473	0.6
85.02957	12.9
93.03457	5.9
95.01412	2.6
95.05035	2.7
97.06560	0.8
101.02439	0.9
108.79694	0.6
109.02967	2.7
111.04531	29.4
113.02465	0.6
119.08658	1.4
121.06644	0.9
122.03718	1.1
123.08192	1.2
245.15373	0.8
247.17038	3.8
249.18669	0.8
297.22250	3.6
315.23364	6.1
317.24921	13.0
325.21793	1.2
327.16425	0.7
327.23532	2.3
335.25818	0.9
343.22781	3.5
345.24380	5.3
389.23627	0.7
415.28842	0.8
429.30280	1.4
457.29715	0.9
471.31281	4.0
487.30679	6.7
489.32382	52.0
497.29639	4.1
515.30310	12.7
533.31323	100.0
534.31274	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	533.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18747	1.0
55.01890	4.7
56.15667	1.0
57.03465	16.9
59.01396	7.3
67.01901	4.9
73.02946	1.4
76.14521	1.2
81.03459	10.0
83.01386	2.5
83.05038	24.2
84.02191	9.3
85.02962	64.7
93.03486	2.8
95.05004	12.3
95.08666	4.4
102.64786	1.2
109.02944	1.5
109.06573	1.4
111.04521	13.1
119.08672	5.1
164.04744	1.7
193.12376	2.6
247.17047	5.6
249.18576	8.0
257.10999	1.4
327.73242	1.5
371.22238	8.3
393.26553	16.3
407.24899	3.9
489.32062	20.0
494.81683	1.3
515.30231	1.8
533.31317	100.0
534.32092	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	533.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03462	5.0
59.01381	3.4
61.62084	0.5
67.01908	2.2
67.51543	0.4
69.03466	3.7
71.01395	0.4
73.02940	0.4
81.03474	3.2
83.01377	0.7
83.05032	9.2
84.02180	3.4
85.02953	21.3
97.02947	37.8
109.02940	0.9
110.28740	0.4
111.04526	4.9
115.22150	0.6
119.08675	3.3
125.06082	0.5
261.18561	0.9
279.19727	1.9
345.24429	1.0
348.72369	0.5
362.56345	0.5
453.30270	2.7
471.31375	2.6
489.32324	4.9
533.31323	100.0
534.31738	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	533.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87064	0.5
55.01884	3.9
57.03455	4.2
57.28975	0.5
59.01387	20.2
61.98840	3.0
65.73770	0.6
67.01891	12.1
69.03461	8.9
71.01389	3.9
71.05031	0.8
73.02959	3.9
79.68835	0.6
81.03454	23.2
83.01405	0.9
83.05029	50.1
84.02180	11.5
85.02951	13.6
89.02436	0.7
89.25523	0.6
93.03452	5.4
95.01401	2.8
95.05041	1.2
96.35786	0.6
97.06578	1.2
98.00101	0.7
101.02464	2.7
105.32603	0.7
109.02996	1.5
111.03813	1.5
111.04532	29.0
119.08647	1.6
121.02995	0.7
121.06608	1.5
122.03775	1.3
123.08195	0.8
198.12535	0.7
221.15639	0.6
225.09201	0.8
247.17110	4.1
249.18489	1.3
263.16553	0.9
263.20325	0.9
281.17676	0.9
297.22217	5.0
315.23337	4.0
317.21414	1.2
317.24890	14.4
325.21725	2.6
327.23441	3.8
343.22818	4.7
345.24500	4.6
385.27350	1.3
429.30069	1.5
457.29919	2.6
471.31287	4.6
487.30563	6.1
489.32410	54.3
490.32599	1.1
492.81027	0.8
497.29187	4.1
515.30518	10.0
533.31317	100.0
534.31714	3.2
538.41559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15632	1.2
59.01387	100.0
61.98836	24.7
71.03155	1.3
104.45821	1.4
116.92881	4.6
117.01570	1.5
202.31656	1.5
234.95605	1.7
471.34903	56.6
472.35208	32.0
473.35876	38.7
533.30658	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	533.1915
Annotation	BGT-226 free base
Peak:m/z	Relative Intensity
55.01881	0.6
57.03453	0.3
58.00599	0.3
58.99590	0.2
59.01387	13.0
61.98833	2.3
64.17837	0.2
66.52406	0.2
69.03419	0.2
71.01385	7.6
72.99303	0.5
73.02943	2.9
79.95728	2.7
80.96526	1.5
83.00951	0.3
83.01382	2.1
85.02962	4.8
87.00867	1.1
89.02453	3.8
92.10793	0.7
93.03455	0.3
95.01370	1.5
95.95223	0.4
96.96011	66.7
97.02981	0.6
99.00908	1.0
101.02440	7.0
111.00941	0.4
113.02482	2.7
119.03517	0.6
119.04997	0.4
122.97565	1.6
125.02406	0.6
131.03511	0.3
135.04510	1.0
137.02490	0.4
138.03252	0.3
138.97083	1.0
160.01691	0.3
161.02429	0.4
161.04520	1.5
165.01833	0.4
174.03204	0.3
176.01184	0.4
179.03520	0.3
180.98151	1.0
184.82170	0.3
190.02684	0.6
191.03577	0.6
191.05630	2.2
195.06772	0.3
205.05022	0.5
224.25804	0.3
225.00801	0.4
241.00192	0.6
249.05753	0.4
266.39923	0.3
267.06628	0.6
282.09033	0.5
291.17950	0.4
323.05618	0.3
338.08078	0.3
341.10480	0.4
353.10394	1.4
371.07571	0.4
371.14255	1.9
380.09201	0.3
395.11295	0.6
401.12555	2.4
403.05612	0.6
409.39166	0.3
443.13367	0.3
473.14877	0.4
473.23047	0.6
473.73676	0.3
533.19189	100.0
534.19580	1.6
550.80505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99060	1.7
59.01386	67.8
59.15261	1.6
61.47662	1.6
61.98837	2.1
69.03456	2.7
71.00818	1.9
71.01389	56.6
72.99323	12.1
73.02947	18.9
78.91859	1.9
82.95436	3.9
85.02975	10.9
85.88271	1.8
87.00874	2.6
88.98824	3.1
89.02447	100.0
93.03516	2.3
96.96037	10.1
97.02955	2.4
99.00888	34.2
101.02448	29.3
109.02950	2.9
109.06596	4.0
113.02450	9.3
117.32089	2.1
119.05050	12.2
121.02954	15.0
125.02458	10.3
131.03540	15.5
133.02962	4.5
135.04504	20.4
146.03773	4.3
147.04501	18.1
149.04567	44.2
159.04495	3.2
159.77550	1.9
161.02444	4.0
161.06061	3.7
163.03996	14.2
164.04744	4.6
164.08537	3.6
166.02740	3.2
168.07964	2.8
173.04594	2.7
177.05598	7.5
179.03525	4.0
179.07173	2.3
179.10837	25.3
191.03540	32.0
191.05617	25.3
203.10863	2.6
209.04590	31.0
219.06502	2.2
221.04573	19.1
221.06566	4.5
221.11836	22.0
233.04596	12.0
234.35786	2.2
251.05598	16.0
293.08942	3.9
311.07495	15.0
371.09875	13.1
473.13141	10.9
533.14905	33.6
557.37628	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83083	0.1
55.66385	0.1
57.03465	0.2
59.01385	1.4
67.01917	0.5
69.03472	0.4
71.01392	1.2
73.02959	0.2
75.66597	0.1
81.03463	0.2
83.05051	0.5
85.02963	11.8
86.37167	0.1
87.00886	2.4
92.92811	0.1
93.03464	3.9
99.00906	0.1
99.04551	0.6
100.77998	0.1
101.02447	0.1
109.02965	0.9
111.04525	1.6
113.02499	0.1
118.61320	0.1
127.04019	3.1
137.02429	0.2
146.03522	0.1
153.01917	0.1
155.03488	0.2
171.03008	0.8
173.04562	1.7
191.05638	100.0
192.05975	0.4
283.62546	0.1
345.88171	0.1
353.11118	0.4
394.74551	0.1
473.68188	0.1
518.60468	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.4
59.01377	1.7
67.01940	0.3
71.01395	1.0
72.09066	0.2
83.05065	0.3
85.02968	11.0
85.03466	0.4
87.00884	3.2
93.03476	3.8
95.17847	0.2
99.04516	0.3
103.92715	0.2
109.02980	0.5
111.00864	1.6
111.04543	1.1
116.65810	0.2
124.27291	0.2
127.04017	2.7
171.03001	0.3
173.04582	1.5
173.31764	0.3
177.11024	0.2
191.05652	100.0
203.45158	0.3
237.77545	0.2
276.81528	0.2
323.69318	0.3
340.20157	0.3
536.77899	0.3
546.21429	0.2
559.46527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01389	55.8
61.98837	10.4
64.20865	1.4
69.03475	2.5
71.01382	39.5
72.99317	8.8
73.02946	11.3
75.00872	44.9
83.01410	8.4
85.02957	12.6
87.00878	25.7
89.02446	24.0
90.29342	1.7
93.03429	3.4
96.96018	20.7
97.02946	7.8
97.97580	1.7
99.00892	7.0
101.02429	19.2
101.60957	1.6
105.01941	77.1
109.02968	2.1
111.00877	15.7
113.02452	10.3
116.92891	2.1
117.03467	12.5
119.03545	1.9
119.05020	19.6
121.02959	2.8
123.04569	1.8
129.01964	2.2
131.03500	1.8
132.02184	3.6
133.02930	2.8
134.02710	2.4
134.03745	65.0
135.04468	6.6
136.89232	1.7
137.02443	2.6
145.02988	45.5
147.04524	3.0
148.01726	6.6
149.06029	8.3
150.03304	2.1
151.03981	2.4
153.05608	9.9
158.03734	1.7
160.01678	47.7
161.02461	12.6
161.04573	3.3
161.06021	3.5
163.04024	25.9
163.26384	1.8
165.05556	2.5
173.04578	1.8
175.04027	57.4
176.04797	16.8
177.01941	2.5
177.05629	2.1
178.02675	2.5
179.03552	6.4
181.05103	15.1
191.05597	16.4
191.07182	19.3
193.05096	54.2
194.05803	2.1
195.02971	7.9
202.08488	1.6
207.06662	6.6
210.05370	7.6
211.06151	18.3
212.93106	1.7
220.03864	3.1
225.07697	10.1
231.98033	1.8
235.06169	32.0
265.07190	12.3
291.07306	8.5
295.08231	9.7
309.51379	1.7
327.09430	2.4
357.10458	23.4
397.11487	12.0
400.44659	1.7
467.12106	13.3
471.57712	1.8
485.13058	10.7
487.14575	29.0
515.13879	15.7
532.65546	2.0
533.15228	100.0
533.22461	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	533.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.4
59.73513	0.1
71.01402	1.7
73.02960	2.5
85.02975	0.7
87.00892	0.3
89.02453	1.8
93.03470	18.9
94.03808	5.3
95.04169	0.2
96.60276	0.2
96.87754	0.1
99.00902	1.5
99.92597	7.6
101.02457	1.0
101.13646	0.1
105.75526	0.2
109.02972	0.2
111.01801	0.1
113.02472	0.7
114.93477	0.3
116.92873	100.0
117.01950	3.5
117.92893	0.6
119.03487	0.2
125.02465	0.4
134.03770	2.1
137.02461	20.0
138.02792	7.1
139.02936	2.0
149.06078	0.8
160.01656	0.2
165.01863	0.2
179.03355	0.2
191.05693	1.2
222.07028	0.2
229.01424	0.2
319.02423	0.2
323.09787	0.3
337.66687	0.2
341.05566	0.2
409.20746	0.2
439.31241	0.2
533.12122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86095	0.1
52.88242	0.1
54.64507	0.1
56.91019	0.1
71.01387	0.2
71.23852	0.1
78.95905	3.4
79.95739	1.5
80.91678	0.3
84.70943	0.1
96.96011	100.0
96.96898	5.0
104.82721	0.1
114.51981	0.1
116.13394	0.2
134.00804	0.2
134.89368	0.2
135.04556	0.3
152.27968	0.2
163.03998	0.2
165.05533	0.2
177.05573	1.2
186.19757	0.2
191.05682	0.3
192.18637	0.2
221.04584	0.6
255.85748	0.2
311.07758	1.0
412.10196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29567	0.2
51.88405	0.2
59.01377	1.3
59.26603	0.3
69.03455	0.3
71.01398	0.4
78.63960	0.2
78.95907	2.7
79.95735	1.4
80.07867	0.2
91.17619	0.2
96.96008	100.0
96.96886	3.8
101.60480	0.3
109.02955	7.0
111.00880	1.2
135.04523	14.1
141.94922	0.3
143.05025	0.4
147.04495	0.6
148.05318	0.4
149.06094	7.6
151.03986	0.3
159.04466	0.5
161.06067	3.5
162.03275	0.6
163.07632	0.5
165.05530	0.4
171.04492	1.1
174.03215	1.0
177.05569	3.7
179.03488	0.5
183.86591	0.3
189.05583	9.6
191.03488	1.2
191.05603	1.8
191.07111	0.3
207.06648	7.6
221.04559	8.4
231.06682	0.3
235.06064	0.6
239.05647	0.5
249.07796	0.3
251.05663	0.5
286.03690	0.3
297.09760	0.4
311.07822	5.5
311.11182	0.7
369.12009	1.1
383.10205	0.5
401.11038	1.0
413.10938	4.9
415.12537	0.5
451.05753	0.4
473.13208	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	531.3698
Annotation	Pouogenin A
Peak:m/z	Relative Intensity
54.20598	0.2
59.01387	12.8
61.98836	0.4
63.91015	0.2
87.46827	0.2
97.45140	0.2
147.99005	0.3
171.80437	0.3
172.23225	0.3
176.48283	0.3
232.74768	0.3
244.59695	0.3
296.37372	0.3
389.16397	0.3
393.31653	0.5
405.31421	0.3
427.32089	1.1
471.34857	100.0
472.35184	2.5
473.35764	1.3
531.30664	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	531.3699
Annotation	Pouogenin A
Peak:m/z	Relative Intensity
59.01391	100.0
61.98843	1.8
62.43254	0.3
68.30266	0.3
71.05011	0.3
84.47767	0.3
96.96030	0.5
97.45486	0.4
99.92593	0.6
116.68264	0.3
116.92845	0.9
119.11349	0.3
127.63223	0.4
247.59012	0.4
283.35361	0.4
284.07257	0.4
363.02930	0.4
407.29443	0.7
409.31116	6.3
425.34271	0.7
449.18832	0.5
453.33847	35.7
471.35025	42.7
525.79700	0.5
531.30103	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	531.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.7
60.10344	0.3
61.69464	0.2
61.98842	1.6
75.00895	0.3
84.88241	0.3
86.25175	0.3
91.60108	0.3
97.06556	0.3
100.06464	0.3
104.01276	0.3
106.04572	0.3
107.51052	0.3
110.92258	0.3
121.57756	0.4
125.99354	0.3
200.06322	0.3
293.78348	0.3
305.33496	0.4
393.31732	0.6
415.24686	0.3
423.32568	0.4
455.66730	0.4
471.34860	100.0
472.34937	2.3
531.30560	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	532.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06473	0.8
59.01390	1.9
60.24442	0.8
61.98832	100.0
71.56365	0.9
73.57785	0.9
78.04002	1.0
84.77673	0.9
92.10803	2.5
170.18686	1.0
177.84888	1.0
205.15163	0.9
410.63632	1.2
472.35178	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	532.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.3
61.98835	100.0
65.22277	0.3
79.50259	0.4
83.47437	0.3
89.28598	0.4
101.01962	0.3
104.36555	0.3
194.55499	0.4
200.32857	0.4
201.34372	0.4
209.89084	0.4
263.55301	0.4
381.05066	0.4
436.16068	0.4
472.35553	0.6
497.19208	0.4
538.01392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69488	0.5
57.86381	0.5
59.01388	100.0
61.98830	1.1
71.95208	0.5
75.99810	0.5
77.47761	0.6
78.95921	0.8
82.95444	1.0
96.96009	13.5
96.96964	1.0
119.05044	3.1
130.40149	0.6
145.02969	2.7
163.04034	0.7
191.14450	17.9
194.71870	0.9
321.13895	1.1
323.15411	2.4
325.16989	3.7
381.28897	0.8
407.29678	4.5
409.31284	4.4
427.32193	2.8
441.30130	1.0
471.20972	3.3
471.31006	27.5
522.86597	0.8
531.22656	1.4
531.33771	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	531.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33344	0.4
59.01387	100.0
61.98832	2.1
72.77888	0.5
76.72471	0.4
78.95918	0.5
98.26372	0.5
101.93651	0.5
117.94053	0.6
117.94891	0.4
164.15948	0.4
175.65834	0.4
180.04843	0.5
182.05638	0.4
192.94093	0.4
219.13933	3.8
280.78433	0.6
309.37582	0.4
317.21121	1.0
409.31235	7.9
427.32056	3.0
453.29984	0.8
469.33386	0.9
471.30780	9.3
471.35153	8.6
531.28857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
78.74083	0.6
82.82945	0.7
108.46875	0.8
112.60666	0.6
148.74156	0.6
151.68301	0.7
241.81096	0.8
243.41200	0.7
370.55423	0.7
390.01117	0.7
471.35114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	3.8
57.03463	5.4
59.01390	52.9
61.98847	2.3
67.01917	2.6
69.03448	2.1
80.04893	2.2
81.03468	19.3
81.76722	2.1
83.05040	37.0
84.02177	31.1
85.02974	18.4
93.03471	12.0
94.49207	2.2
95.05006	4.0
95.47414	2.1
99.92645	2.6
109.02879	2.4
111.04488	18.6
122.03747	4.4
125.09690	2.4
183.90315	2.4
233.29230	2.0
325.21835	3.6
335.24673	3.0
343.22937	12.0
365.24319	2.7
455.28217	14.6
471.31198	10.7
487.30682	100.0
531.29602	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33074	0.7
51.60450	0.7
51.96665	0.6
55.01897	1.4
57.03460	7.6
59.01385	7.0
67.01896	6.9
69.03471	4.1
71.01379	1.2
73.02963	3.1
74.84421	0.9
81.03455	14.0
83.01403	1.6
83.05038	26.2
84.02176	8.1
85.02961	17.3
89.52866	0.8
93.03462	3.5
95.05053	1.5
97.06653	0.8
109.02998	1.0
109.06631	1.8
111.04534	15.0
121.06570	0.7
123.08195	0.8
125.09686	0.8
135.08171	1.6
137.09726	1.6
149.09758	4.0
151.07658	1.7
221.37462	0.8
247.17104	8.4
249.18568	3.0
282.49625	0.9
304.36038	0.8
325.21774	3.5
341.21451	0.9
343.22867	1.8
345.17999	0.8
362.58517	1.0
453.26089	1.0
469.29855	6.1
487.30725	100.0
488.31061	1.4
506.67505	0.9
531.29767	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	531.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	11.6
58.34280	1.3
58.99635	1.2
59.01104	2.8
59.01385	39.4
59.01657	2.2
61.98863	1.4
62.58102	1.2
67.01900	9.2
69.03465	2.3
71.01412	1.4
73.02962	2.5
81.03467	16.4
83.01394	2.0
83.05031	39.0
83.05489	2.3
84.02190	10.1
85.02955	25.1
92.10151	2.4
93.03474	2.6
95.05000	1.5
109.06623	2.4
111.04523	24.3
135.04488	1.4
135.08200	2.3
137.09666	2.7
147.48460	1.4
171.10233	2.9
237.73289	1.6
247.17049	3.1
307.20648	1.7
309.20810	7.4
310.41553	1.4
325.21762	14.5
343.22763	6.5
469.29544	10.0
487.30786	100.0
513.28821	7.8
531.29706	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39657	1.0
55.01898	3.0
57.03445	27.2
59.01387	50.4
60.01709	1.4
71.01039	1.3
71.01369	10.6
73.02943	1.3
81.03490	1.7
83.01397	16.6
83.05039	2.9
84.02179	10.3
85.02958	100.0
89.02458	1.9
93.03449	1.3
101.02451	7.0
111.48411	1.3
117.07114	9.3
124.01614	4.9
147.08202	2.4
161.06104	33.9
162.89355	1.4
175.07671	9.9
333.18564	5.6
351.19742	11.4
471.22830	2.2
485.28003	2.4
487.30899	11.4
503.30286	3.1
513.28656	87.6
531.29596	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.7
57.03460	13.3
57.74132	0.6
57.84887	0.6
59.01382	12.2
67.01891	2.9
70.42586	0.6
71.01389	1.7
81.03446	5.6
83.01404	4.8
83.05020	8.6
84.02168	6.1
85.02955	55.1
93.03478	1.2
94.04264	1.0
95.05041	2.8
97.02956	1.0
97.06586	2.7
111.04559	5.1
120.05795	1.5
121.06571	1.0
123.04544	1.3
128.23999	0.6
133.06621	3.0
134.07414	0.7
135.08177	17.6
137.06113	5.9
140.29793	0.6
147.08167	1.7
149.06085	1.4
149.09744	15.1
151.07704	0.8
152.89275	0.7
161.09822	0.7
175.07657	3.0
176.15495	0.7
177.05553	3.3
178.06367	63.9
193.05046	1.3
193.08711	8.1
245.15514	14.2
263.16486	3.4
309.20868	2.7
325.21979	1.5
343.22858	3.7
369.20798	1.1
407.24500	8.5
447.27783	0.8
455.28149	1.2
485.28540	1.7
487.30795	29.6
513.28894	3.0
516.27307	1.1
517.96344	0.8
531.29749	100.0
532.29498	1.3
534.64496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29815	0.2
54.54365	0.2
55.40563	0.2
56.05667	0.2
57.84160	0.2
58.17356	0.2
58.55801	0.2
59.01385	0.8
61.98801	0.2
62.84608	0.2
65.03970	0.3
69.47636	0.2
77.26595	0.2
90.01560	0.2
93.03458	73.9
103.86368	0.2
109.02944	0.3
121.03096	0.2
137.02457	100.0
138.02708	0.3
147.04604	0.3
148.70392	0.2
151.86446	0.2
175.04028	0.3
191.05602	2.6
206.17493	0.2
229.01474	1.1
245.67329	0.2
267.06699	1.3
277.05231	0.4
295.06348	1.1
339.05072	2.6
455.74265	0.2
480.52097	0.3
531.11188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36662	1.2
54.53729	1.0
59.01385	100.0
61.98835	1.5
78.40498	1.3
92.10910	1.7
125.09657	1.2
131.45496	1.2
131.54164	1.4
136.18701	1.3
140.90475	1.2
145.03070	1.2
149.77936	1.1
169.73763	1.2
222.56065	1.3
247.06187	1.2
276.01416	1.3
409.31198	2.0
464.94452	1.4
469.33383	4.8
470.33798	1.3
471.35703	25.7
485.32739	5.0
526.44073	1.4
531.29895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30999	1.5
50.79559	1.5
54.83410	1.7
59.01388	99.5
60.01716	2.3
61.03893	1.7
61.98845	7.5
71.13719	1.6
96.96031	2.1
97.06621	2.7
99.92596	63.6
100.93374	2.0
112.44608	1.9
115.92085	37.5
116.92871	100.0
117.03497	7.7
119.05038	7.8
134.03748	2.9
145.02965	9.3
154.18097	2.3
163.04066	2.0
217.96735	2.6
218.97603	3.4
222.86948	2.1
275.40833	2.0
293.07715	2.2
367.12271	13.1
409.31277	8.0
423.44730	2.2
427.32150	3.6
441.33569	2.2
469.33429	11.7
470.33899	4.5
471.30392	10.0
471.35040	13.3
513.15771	2.5
531.16986	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98298	0.5
52.92134	0.5
55.01903	0.6
55.70967	0.6
57.03453	0.9
58.00605	0.6
59.01105	1.2
59.01383	21.9
61.98835	4.0
68.01240	0.5
69.03442	0.6
71.01387	15.6
72.99323	1.0
73.02956	5.6
82.95391	0.7
83.01379	1.2
85.02940	7.2
87.00878	1.2
89.02439	13.3
89.77635	0.6
93.03463	3.8
95.01420	0.7
96.96004	0.8
97.02949	0.7
99.00881	3.0
100.89155	0.6
101.02456	10.6
102.02811	0.8
113.02438	6.4
116.92867	1.1
117.03430	5.2
119.03471	3.2
119.05038	0.7
121.02968	0.7
125.02434	3.3
131.03467	0.7
131.23981	0.6
132.02162	20.5
133.02948	2.4
134.03738	44.0
135.04532	1.3
136.01581	0.7
137.02423	2.5
143.03523	0.7
145.02953	4.3
147.04536	2.4
148.05319	0.7
149.04588	3.3
149.06064	5.2
151.04024	0.9
154.52150	0.5
159.02916	0.9
160.01665	100.0
161.02443	0.9
161.04565	7.8
163.04039	1.1
165.01906	0.8
173.04536	0.6
175.04008	92.5
176.04762	5.9
177.01906	0.9
178.02727	2.6
180.04289	1.4
191.05573	4.6
191.07167	9.0
193.03302	1.3
193.05075	36.7
193.07030	2.1
207.06596	2.5
235.06113	18.6
265.07254	2.2
277.07495	0.9
295.08347	3.0
337.09293	1.3
467.75281	0.7
469.22925	1.3
470.23456	5.8
471.16000	4.6
471.23166	6.7
495.14679	1.4
531.17273	68.2
538.39319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51524	1.0
52.18467	1.0
57.34749	1.2
59.01382	21.1
59.01656	1.3
60.06651	1.0
61.98835	35.4
71.01372	10.7
73.02965	2.3
75.00880	1.9
85.02965	8.0
87.00881	2.3
89.02452	7.7
91.49414	1.2
93.03437	10.3
96.96009	2.2
101.02457	9.5
111.04549	1.3
113.02477	2.4
119.05025	100.0
133.02991	1.7
134.03690	2.5
135.04521	2.6
137.02414	7.5
149.02438	4.7
161.04607	1.6
163.04005	58.2
163.19446	1.2
164.04796	2.6
173.04495	2.1
175.00359	13.2
175.03967	2.0
176.01088	1.3
177.05629	1.3
178.49907	1.3
179.03352	1.4
182.06815	1.2
190.02722	33.9
191.03679	1.9
191.05643	6.2
198.22690	1.1
204.04256	7.4
205.05080	27.4
209.53737	1.3
219.06638	2.6
223.05931	1.5
254.43416	1.3
281.06732	2.3
353.08942	2.3
367.10321	17.7
471.06738	10.3
495.31326	1.5
515.42627	1.3
531.14880	13.9
531.29272	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	531.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98916	0.5
58.15017	0.5
59.01390	9.4
61.98841	2.9
63.23920	0.4
71.01390	3.2
73.02970	2.3
78.48768	0.6
78.51078	0.5
83.01393	0.6
85.02985	2.1
87.00894	0.8
89.02460	2.5
93.03468	3.2
96.96014	0.8
99.00909	1.0
99.04545	0.8
101.02464	2.5
102.98623	1.0
113.02488	2.1
117.03477	1.2
119.01365	0.9
119.05031	100.0
121.02956	2.9
135.04562	1.3
145.01909	0.6
145.02965	3.8
147.00951	0.6
148.01704	1.0
149.02483	2.9
150.03268	3.2
161.02455	2.1
162.03172	0.6
163.04022	31.8
164.04790	2.4
165.53624	0.5
173.04579	1.0
175.00398	7.9
176.01178	17.3
177.01831	0.6
177.05615	9.2
190.02734	18.4
191.03546	17.4
191.05554	2.8
194.02222	1.3
205.05113	17.6
209.04559	3.0
223.06137	3.4
316.11032	0.6
353.08878	14.3
367.10425	14.0
471.25925	1.0
531.15009	18.2
531.22473	1.0
531.27985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.7
61.98832	7.1
71.01401	4.6
85.02962	3.6
87.00878	0.8
89.02448	1.1
92.10860	1.2
93.03475	4.0
96.96015	1.0
98.92757	0.8
101.02442	2.9
109.02922	1.0
113.02470	2.9
113.09776	0.7
117.03546	0.9
121.02975	1.8
132.02150	9.7
133.02031	1.2
133.02962	20.3
134.03748	100.0
135.04524	10.5
137.02443	14.9
138.71002	0.7
139.04022	4.2
149.06088	22.3
150.03246	1.0
160.01666	42.8
161.02458	33.9
173.04576	0.7
175.04018	40.9
177.01955	1.1
177.05623	1.1
178.02728	47.1
179.03546	8.5
188.24854	0.7
191.05592	1.6
192.04292	14.7
193.05078	65.0
203.03412	0.9
207.06680	4.4
213.62613	0.7
221.04527	2.8
235.27432	0.8
253.05063	1.5
280.43097	0.7
323.07788	34.3
337.09360	27.6
531.15216	28.5
531.27893	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	531.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70109	0.6
55.48280	0.5
59.01381	5.0
61.42542	0.5
61.98864	0.7
71.01405	2.5
83.76777	0.6
85.02959	12.0
87.00896	3.1
89.02480	1.5
93.03470	6.9
96.96058	0.8
101.02471	0.9
108.02182	0.7
109.02967	20.5
111.04552	1.1
116.92894	1.5
117.03503	0.8
119.05031	0.8
121.02978	2.7
127.04021	2.9
127.79080	0.6
129.03525	0.7
135.04514	0.8
137.02461	3.1
137.09753	1.1
145.03000	10.2
146.03793	1.1
147.04559	11.1
157.02960	8.6
158.03708	1.1
159.04538	14.1
160.01785	0.9
160.50041	0.6
163.04012	0.7
171.03058	0.7
173.02477	4.0
173.04582	3.2
174.03223	1.3
175.04048	5.3
185.02409	5.4
187.04057	1.1
187.84933	0.6
191.05643	76.9
192.05867	0.6
196.05379	0.9
196.81441	0.7
201.01952	1.2
201.11385	15.1
205.06532	0.7
211.07719	0.8
221.06143	4.0
222.06902	0.6
224.04956	1.0
225.05603	1.2
229.01459	48.9
230.02036	1.6
237.05353	0.7
238.06445	1.0
239.07260	5.0
248.04703	2.4
249.05544	10.0
250.06387	4.1
253.04881	0.8
265.05084	1.8
266.05826	4.3
267.06644	26.2
269.08200	2.9
276.04340	0.9
277.05115	17.9
278.05865	3.4
280.03839	1.1
293.04636	7.7
294.05286	5.0
295.06161	35.0
295.09451	1.3
339.05167	100.0
340.05518	1.1
383.15369	0.8
487.12732	1.4
531.11383	17.7
531.18793	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	531.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54583	0.3
56.07940	0.3
59.01394	3.9
61.77485	0.3
61.98835	11.2
64.37489	0.3
68.52428	0.3
71.01385	1.7
71.93532	0.3
73.02956	0.4
75.00864	0.4
78.95901	5.0
79.64844	0.3
79.95739	1.7
84.04430	0.3
85.02951	0.4
88.98790	1.3
89.02435	1.2
96.96010	100.0
96.96905	6.6
99.00908	0.4
101.02423	0.7
115.00329	0.3
116.92859	0.5
134.89510	2.5
138.93176	0.3
141.01752	0.6
157.50352	0.3
174.52139	0.4
528.03229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00750	0.5
54.19197	0.6
59.01385	3.8
61.98833	1.1
63.13333	0.5
65.37523	0.5
66.48732	0.5
67.01895	0.7
71.01388	2.5
73.02935	0.8
81.03471	0.6
85.02948	12.9
87.00888	3.5
87.87145	0.5
89.68369	0.5
93.03449	10.1
99.00906	0.7
101.02424	0.7
102.06650	0.6
109.02955	23.7
111.04552	1.4
114.93397	2.9
117.03475	0.8
119.05098	0.5
121.02959	2.9
124.92860	0.6
127.04009	2.3
129.03490	2.2
131.04993	1.0
135.04533	0.8
135.93912	0.5
137.02454	2.9
145.02957	11.1
146.03728	1.0
147.04521	13.5
157.02945	8.2
158.03697	1.4
159.04518	15.3
161.02454	0.9
163.03970	1.0
171.03006	0.9
173.02419	4.8
173.04549	3.9
174.03201	1.1
175.04031	4.4
185.02432	7.1
186.03214	1.2
187.04001	0.8
191.05632	78.7
193.06575	0.8
196.05281	0.6
197.06172	0.6
201.01971	1.2
211.07764	2.7
221.06133	4.4
223.07503	1.0
224.04782	1.0
225.05576	0.8
229.01433	50.1
237.05528	1.2
238.06422	1.0
239.07213	5.5
248.04901	1.3
249.05592	12.8
250.06322	4.4
253.05093	2.6
265.04996	2.6
266.05847	4.5
267.06671	31.4
269.08270	5.5
276.04263	2.3
277.05115	21.0
278.05862	3.2
280.03778	0.8
285.11139	0.6
293.04626	7.7
294.05396	4.1
295.06171	38.0
313.07236	0.8
339.05157	100.0
340.05377	2.5
487.12430	1.0
531.03522	0.7
531.11407	18.7
531.18848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3542
Annotation	Rubianol b
Peak:m/z	Relative Intensity
52.27168	1.2
57.77717	1.2
59.01389	35.2
61.54823	1.4
61.98832	1.6
62.77160	1.2
64.96337	1.5
69.54749	1.4
72.99319	2.6
75.00871	100.0
79.58704	1.3
81.58513	1.5
125.09725	1.8
216.74265	2.2
280.41357	1.8
302.79944	1.6
439.32712	3.2
453.33777	31.0
511.34238	2.1
529.27643	3.7
529.35480	59.3
558.97375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17693	0.8
59.01389	100.0
61.98857	1.7
72.55127	0.8
97.06604	1.7
158.13603	0.9
162.05141	0.9
183.92717	1.0
279.23300	7.5
407.32983	1.3
447.25449	1.3
469.33282	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	530.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82487	0.4
54.05945	0.4
57.15387	0.4
57.27725	0.4
59.01386	2.3
61.98835	100.0
67.00734	0.4
69.83257	0.4
71.01374	2.0
73.02963	0.6
85.02951	0.4
89.02446	2.1
90.49369	0.7
92.65334	0.7
96.96018	3.8
101.02488	0.7
116.92858	0.6
129.61552	0.5
169.18935	0.5
171.31407	0.6
184.63895	0.5
191.05623	2.2
253.49287	0.5
312.09839	0.6
416.96472	0.7
470.18243	0.5
530.09790	0.7
530.17432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	5.8
59.72535	1.1
61.92289	1.1
61.98841	18.3
70.59805	1.4
78.95908	20.0
94.54931	1.2
101.36129	1.2
105.71803	1.2
152.48448	1.4
152.99632	2.3
168.04390	2.0
191.05582	3.1
224.06934	5.8
250.44296	1.2
255.23346	100.0
283.13330	1.7
480.31030	54.5
515.56042	1.5
530.26862	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	529.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.6
61.98813	2.0
68.30590	1.9
74.96188	62.0
75.00872	42.1
76.57631	1.8
134.99829	2.2
191.05582	2.4
202.69173	2.2
274.74228	2.5
310.70416	2.7
391.30032	2.4
407.33325	43.0
413.47015	2.1
427.35840	2.8
453.33545	15.9
467.30893	3.6
529.30505	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	529.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26031	1.5
59.01387	100.0
61.98843	2.5
73.31110	1.3
80.53435	1.6
87.07303	1.5
96.96017	8.8
104.63305	1.4
109.13691	1.6
115.07029	1.4
142.48004	1.4
323.15475	6.8
380.70575	1.7
409.31204	8.4
441.33728	1.9
469.33554	3.5
471.34930	3.9
522.99957	1.8
529.31519	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	529.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
82.82142	0.3
85.38610	0.3
89.95092	0.3
101.09172	0.3
124.43641	0.3
197.13156	0.4
244.03360	0.3
469.33408	7.0
471.34927	4.8
529.30414	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	529.3542
Annotation	Rubianol b
Peak:m/z	Relative Intensity
57.18577	0.8
59.01387	100.0
59.05056	0.8
62.62318	0.8
63.89016	0.8
65.19209	1.1
92.10121	3.4
103.21525	0.9
104.92844	0.9
128.70093	0.9
177.81740	1.0
207.01398	0.9
249.63611	1.1
293.17865	1.1
425.34381	9.5
448.25101	1.1
469.33344	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	529.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21161	0.7
57.03472	0.7
59.01394	6.0
60.11636	0.7
61.18741	0.7
61.19113	0.7
67.01914	1.0
81.03467	1.6
83.05035	7.9
84.02199	5.8
85.02988	1.1
91.13219	0.8
93.03469	1.0
112.59534	0.9
126.07012	0.9
187.00671	0.9
254.55994	0.9
285.18085	0.8
293.19077	1.0
295.20789	2.1
321.18634	6.8
339.19522	5.5
483.27615	100.0
484.28494	1.3
485.29257	1.2
511.27130	4.9
528.36096	1.0
529.28052	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	529.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12009	1.0
55.01883	7.9
57.03456	25.5
59.01385	7.3
59.58862	1.1
64.37626	1.1
65.03960	2.2
67.01897	11.0
67.48774	1.2
68.99819	1.7
69.03463	7.0
71.01375	2.0
73.02951	2.5
75.67404	1.4
80.55193	1.2
81.03447	16.4
83.01396	4.6
83.05035	39.5
83.05533	1.6
84.02175	18.5
85.02962	100.0
91.15740	1.1
93.03462	2.0
95.05043	2.0
105.07119	7.5
109.06606	2.5
111.04533	13.1
118.04321	1.5
122.69190	1.2
132.05859	2.1
133.06622	17.3
133.65227	1.2
147.08168	7.3
173.58412	1.3
209.02896	1.4
211.25557	1.3
243.13745	2.1
313.22003	1.2
323.20087	5.1
341.20975	2.7
358.42261	1.3
390.13943	1.4
467.27902	11.3
485.29184	49.1
485.39984	1.5
501.28677	24.0
529.28101	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25508	0.3
54.82738	0.3
55.01893	1.7
57.03456	1.6
59.01381	1.7
60.36647	0.3
62.56055	0.4
63.50891	0.3
65.03963	0.5
69.03469	0.9
71.01386	3.9
71.05022	0.6
72.99313	0.6
73.02937	3.0
81.03459	8.2
83.01396	2.5
83.05016	4.0
84.02177	0.4
85.02952	16.6
86.00098	1.0
87.00876	0.6
87.04496	0.5
88.01678	2.4
92.10863	0.8
93.03452	1.7
95.05042	0.5
99.00874	2.3
99.04517	6.2
101.02463	0.9
103.04005	1.6
108.02209	1.7
109.02952	6.3
119.05027	2.1
120.16209	0.4
121.02958	8.8
122.03770	0.7
123.04532	3.8
127.04023	6.1
135.04541	0.5
136.05307	0.4
171.68123	0.4
182.83844	0.4
209.11899	1.8
226.90312	0.4
237.39951	0.4
247.17035	1.6
279.13791	0.6
287.08612	0.5
305.19174	0.6
307.20770	2.6
317.15506	0.6
323.20239	2.1
325.21640	0.7
333.18655	4.2
351.19772	5.8
369.20807	0.6
485.29285	0.8
495.24643	0.8
501.28506	0.7
509.25623	0.9
511.19510	0.7
511.27103	16.1
529.28156	100.0
530.28662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	8.4
57.03461	23.3
57.03716	1.5
59.01395	1.2
67.01901	10.7
69.03472	5.7
69.89848	1.1
71.01375	1.5
73.02966	2.2
81.03458	12.2
83.01392	5.7
83.05038	28.1
84.02174	17.1
85.02964	100.0
86.21333	1.1
93.03471	4.9
95.05044	1.2
105.07127	8.1
110.21606	1.1
110.28138	1.2
111.04559	11.4
117.46094	1.0
118.72704	1.1
121.06649	1.3
133.06609	17.1
133.82387	1.0
146.62602	1.0
147.08185	8.0
249.25586	1.2
262.04700	1.3
285.26605	1.4
323.20166	4.2
341.21210	5.3
457.29623	2.1
467.28116	9.8
485.29169	40.2
501.28564	21.4
529.28094	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.2
57.03457	26.0
59.01389	1.4
60.25679	0.5
60.90261	0.8
61.06877	0.6
61.17982	0.6
68.99822	1.0
69.03448	0.6
71.01398	0.8
83.01389	5.8
83.05051	1.2
84.02172	11.4
85.02954	100.0
95.05032	1.0
111.04501	0.8
116.97939	0.6
138.32057	0.6
159.82550	0.7
183.08199	1.4
187.37166	0.7
196.59526	0.7
197.06027	1.3
211.07713	3.7
213.09282	2.6
244.07542	0.9
253.12392	3.9
321.18640	0.8
331.17023	4.9
349.18167	20.8
483.27734	3.9
511.27194	18.8
529.28180	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85249	0.2
57.03451	0.3
59.01373	0.2
63.15053	0.2
67.01901	1.3
73.02945	0.4
81.03468	1.9
83.05022	3.3
84.02164	1.4
85.02957	1.5
93.03474	0.4
94.71037	0.3
111.04517	1.4
122.13642	0.2
126.53442	0.2
129.07114	0.3
132.87337	0.2
152.27707	0.2
220.13492	0.3
234.61949	0.2
240.60289	0.2
267.13840	0.4
273.76166	0.2
277.19601	1.6
291.17914	0.3
293.19131	1.3
295.20682	2.0
321.18689	7.2
339.19736	3.1
357.48203	0.2
439.28503	0.4
467.28021	0.3
483.27597	100.0
484.27927	1.5
511.27151	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	529.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.5
57.03441	3.0
58.00614	0.8
59.01385	28.7
59.40286	0.3
60.99322	0.5
61.98839	4.1
67.01910	2.5
69.03475	1.6
71.01382	37.1
72.99318	1.8
73.02947	15.8
75.00866	1.5
75.30859	0.4
81.03459	0.7
83.01391	8.6
85.02950	20.8
87.00888	6.3
88.98795	0.8
89.02445	11.9
92.10075	0.6
93.03458	13.3
95.01393	2.3
95.05032	0.4
96.96000	3.6
97.02939	2.5
99.00878	9.2
99.04527	0.6
101.02441	35.1
109.02935	0.5
111.00899	3.4
111.04536	1.7
113.02456	12.7
115.03991	1.5
116.92870	2.0
119.03490	1.7
125.02471	2.1
127.04041	0.6
129.01923	2.1
131.03535	1.5
133.02917	3.5
134.03755	4.7
135.04533	0.7
137.02463	0.4
138.76256	0.4
141.01949	0.6
143.03510	2.4
143.10831	0.8
146.76634	0.4
149.04544	0.6
149.06053	0.5
155.66284	0.4
159.02983	4.0
161.04578	6.0
162.45184	0.3
173.04602	4.1
175.13391	3.2
177.01903	1.5
178.02713	2.5
187.05817	0.4
191.05626	21.8
193.05092	4.5
233.06670	1.6
337.18750	22.1
351.07446	0.8
367.10434	2.1
440.60849	0.4
469.22989	100.0
470.23349	1.7
493.98990	0.4
529.15686	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	529.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69346	0.2
55.01884	5.1
57.03454	3.1
58.00599	0.7
58.57030	0.3
59.01385	40.6
59.95351	0.3
60.26402	0.3
61.98838	4.4
67.01904	0.5
69.03451	0.3
71.01381	43.1
71.20419	0.3
72.99316	2.0
73.02946	12.9
73.03356	0.5
75.00882	1.2
79.55744	0.4
82.95434	0.4
83.01389	8.6
83.22457	0.4
85.02950	24.2
87.00879	3.1
88.98819	1.8
89.02442	18.1
89.03006	0.5
91.00375	0.3
92.10752	0.5
93.03458	2.8
95.01377	4.3
96.96014	2.1
97.02982	1.3
99.00877	6.6
101.02444	37.5
109.03017	0.6
111.00886	1.3
113.02453	21.6
113.59582	0.4
116.92856	1.3
119.03503	6.5
125.02433	2.2
127.04030	0.4
129.01913	0.4
131.03522	1.4
134.03725	1.7
135.04568	0.7
137.02441	0.6
143.03510	2.1
145.12361	0.8
147.04512	0.3
149.04512	0.3
153.55852	0.3
159.02994	2.6
160.01646	0.7
161.02533	0.7
161.04567	13.2
163.04051	0.4
173.04510	3.2
175.04013	1.2
176.04669	0.6
179.05582	0.8
191.05618	4.1
191.07198	1.1
193.05093	1.5
221.06665	0.7
235.06104	0.6
254.09937	0.5
268.12122	0.4
295.62512	0.3
307.17667	17.9
321.52444	0.3
337.03439	0.4
453.18698	0.7
469.22977	100.0
470.23233	1.3
529.15631	4.6
530.16223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	3.6
56.81492	0.5
57.03459	2.5
59.01390	29.8
60.16464	0.5
61.98851	2.8
69.03467	1.3
69.57439	0.5
71.01392	33.2
72.99306	1.7
73.02954	16.4
75.00902	0.8
76.57370	0.5
81.03513	0.7
83.01410	7.6
85.02975	19.1
87.00896	4.2
88.98825	1.0
89.02452	16.9
91.06781	0.6
93.03500	1.4
95.01429	3.1
96.00071	0.5
96.96032	2.5
97.02959	2.2
99.00897	7.9
99.04571	0.7
101.02459	32.0
109.76839	0.5
111.00918	3.5
113.02468	14.8
115.03986	0.6
119.03515	3.8
121.02985	1.1
125.02466	3.7
129.01959	1.0
131.03491	1.3
135.04535	0.7
143.03560	1.3
149.04591	0.7
159.03020	5.1
161.04630	7.1
175.13425	3.8
191.05664	4.3
197.04608	2.1
229.01514	0.6
284.43442	0.7
293.08740	0.6
337.18762	19.8
401.77963	0.6
418.71027	0.7
425.20120	0.7
469.23001	100.0
470.23395	2.3
493.15726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86369	0.6
55.01905	1.0
59.01392	17.2
61.98830	1.1
67.01904	6.0
69.03472	1.3
70.81350	0.8
71.01388	18.5
72.95333	0.7
73.02957	5.4
83.01396	1.4
85.02961	11.1
85.43743	0.8
87.00899	5.7
88.98790	1.3
89.02435	7.0
93.03461	41.6
95.01379	1.4
96.95989	1.0
99.00902	3.6
101.02441	11.9
108.02206	1.2
109.02965	1.4
111.00887	3.7
111.04544	8.3
113.02489	6.9
117.03474	1.1
125.02439	1.1
133.02940	6.7
134.03743	29.4
135.04544	3.4
137.02452	8.6
146.58640	0.9
147.04538	4.3
148.05324	1.6
149.06093	4.9
155.03543	6.8
158.03728	1.0
160.01660	16.4
161.02483	17.1
161.04503	1.8
163.04088	0.9
173.04555	54.6
175.03993	15.7
176.04785	16.5
177.01920	3.9
178.02788	1.2
179.03467	1.5
191.05595	13.1
191.07161	18.3
192.04369	1.5
193.05086	23.5
207.06706	4.9
220.03667	1.7
235.06152	24.5
265.07227	1.4
267.06366	1.1
293.04532	1.3
295.08325	4.7
307.17633	4.5
320.37823	1.0
337.03378	3.1
353.10925	5.2
402.68994	1.0
468.21133	4.4
468.71472	7.9
469.22824	19.3
470.67102	1.0
497.13370	4.7
529.15698	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	528.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82752	0.1
59.01391	1.7
61.98835	100.0
70.67444	0.2
71.01397	0.9
73.02948	0.2
81.88618	0.2
85.02943	0.2
88.98792	0.2
89.02457	1.2
96.95970	0.2
99.00880	0.3
101.02459	0.3
113.02494	0.2
179.28790	0.2
191.05573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91908	1.3
70.88120	1.3
72.87713	1.1
78.32196	1.2
402.90311	1.5
455.35382	100.0
456.35306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.9
59.01384	12.6
61.98837	12.4
65.99470	0.8
71.01398	7.4
73.02952	1.8
75.00831	0.9
78.75800	1.0
79.95747	45.8
85.02959	4.4
88.98840	1.1
89.02444	3.6
93.03461	3.5
95.95243	19.0
96.96018	100.0
99.00861	1.2
101.02449	5.3
102.02765	0.9
110.97581	11.0
113.02416	1.4
119.05067	1.5
123.00912	1.3
133.02974	7.1
135.04539	4.0
137.02426	3.6
138.03250	4.2
149.99893	1.3
151.00378	1.5
152.01120	2.1
153.05573	1.6
166.02763	6.5
167.03471	4.0
173.04616	2.2
177.01939	3.7
181.05074	10.6
188.67355	1.1
191.05640	7.2
361.05978	1.4
467.24841	1.1
468.25290	6.2
469.25256	2.2
483.09656	1.1
497.11404	1.3
529.13904	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79952	1.2
57.21981	1.1
59.01391	40.7
61.98841	17.2
62.10112	1.1
66.60356	1.2
71.01387	26.0
72.99289	1.2
73.02958	3.3
83.01414	1.7
85.02976	9.5
89.02445	18.3
92.10131	1.4
96.96021	2.7
101.02457	13.5
103.87850	1.6
113.02448	6.6
119.03526	6.2
120.99686	2.2
133.10201	1.4
150.88943	1.5
191.05640	2.4
248.60435	1.6
253.09848	1.5
314.35806	1.4
347.22382	24.9
365.23282	7.3
466.24472	1.7
466.74310	2.3
467.25815	2.5
527.28754	100.0
528.29456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82540	36.6
59.01391	70.9
69.16822	26.6
75.64011	29.2
78.63770	26.6
92.10779	100.0
126.15965	30.8
135.83841	29.0
135.90637	30.9
138.58138	31.4
147.72459	33.8
161.03131	33.1
187.67641	29.6
527.28986	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78036	16.8
59.01396	100.0
61.60802	19.1
61.98852	24.7
92.10204	34.2
149.89212	22.5
188.92656	25.0
237.32912	25.0
255.23093	24.5
477.67685	24.0
489.53998	29.9
527.29004	31.3
532.85553	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54372	1.7
55.01891	3.0
57.03448	2.9
58.00584	2.6
59.01382	100.0
61.98832	9.6
69.41521	2.0
71.01383	70.3
71.01772	2.5
72.99318	2.3
73.02946	21.6
75.00900	2.9
83.01405	7.4
85.02954	31.6
86.23187	1.9
87.00900	4.4
87.67270	1.9
89.02443	65.3
90.83755	2.0
95.01387	2.6
96.95988	7.0
97.02975	2.7
99.00889	15.5
101.02444	48.3
113.02462	25.1
119.03512	15.9
119.05023	3.9
125.02448	4.0
130.98775	2.0
131.03551	3.4
145.02925	16.2
149.04533	9.3
151.04073	2.1
153.01877	14.8
161.04587	8.6
163.04021	3.2
165.05542	3.3
168.04272	3.4
191.05629	21.1
203.09143	4.5
240.24658	2.1
317.10236	2.6
319.15732	2.1
365.12772	3.8
401.39786	2.2
449.20343	17.9
467.20660	38.1
481.22922	3.9
489.16208	9.2
527.23749	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.1
57.03452	3.1
57.93875	0.3
58.00601	0.5
59.01383	30.1
59.76748	0.3
60.98811	0.3
61.98840	1.9
69.03458	0.9
69.17928	0.3
71.01380	34.1
72.99299	0.9
73.02944	18.7
75.00873	1.7
75.42834	0.4
77.30843	0.4
81.03445	0.4
83.01385	8.1
85.02949	21.2
86.00091	0.8
87.00864	2.8
88.98813	0.5
89.02437	7.6
95.01402	1.9
96.75042	0.4
97.02961	2.5
99.00879	7.6
99.04517	0.4
101.02440	36.3
109.02941	0.6
110.04571	0.5
111.00879	2.8
111.41539	0.4
113.02443	13.7
113.03146	0.7
115.04010	1.0
119.03467	0.5
119.05009	0.6
125.02442	2.7
129.01994	0.7
131.03508	2.0
135.04538	0.5
141.01881	0.4
143.03545	0.7
145.02971	0.9
159.03017	3.2
161.04572	8.2
163.04016	0.5
170.48416	0.4
171.13924	0.5
173.15419	0.8
191.05635	1.8
233.06783	0.7
257.96442	0.4
293.08856	0.5
307.53098	0.4
335.20782	21.5
375.17532	0.4
381.17761	3.8
381.22644	0.5
467.25043	100.0
468.25320	2.3
527.21014	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	527.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95133	1.0
53.12810	1.3
55.01894	1.2
57.03461	1.5
58.00613	1.8
59.01393	71.4
60.01712	1.0
60.17223	1.1
61.98843	53.0
69.20116	1.0
71.01389	48.5
71.18497	1.2
72.99339	1.3
73.02939	9.7
75.00858	1.8
83.01412	2.2
85.02955	13.8
87.00898	2.8
89.02444	39.9
93.03465	2.9
95.01387	4.9
96.96033	7.4
101.02449	32.0
113.02466	18.1
119.03497	14.0
123.04507	1.6
125.02555	1.3
127.11919	1.1
131.03535	1.9
135.04456	1.9
143.03522	1.4
145.07729	93.4
151.15134	1.4
161.02371	1.8
161.04575	6.9
170.07224	6.2
179.05650	10.4
188.08313	100.0
191.05641	7.8
214.09892	23.1
239.82314	1.2
256.10886	6.5
265.05276	1.6
268.86667	1.2
293.97534	1.5
304.13034	1.7
322.14096	8.2
460.76199	1.4
467.22977	5.7
467.72107	1.8
484.19476	77.2
527.20789	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	527.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38499	2.4
59.01384	79.2
60.99307	2.9
61.98841	11.3
62.86184	2.9
68.36143	3.0
69.03461	5.1
71.01382	72.5
73.02936	28.1
75.00886	3.1
85.02949	26.8
87.00887	5.8
88.49719	2.5
88.98809	16.5
89.02440	100.0
93.03472	3.9
94.02692	3.4
96.96008	32.7
97.02946	6.7
99.00862	26.6
101.02432	28.9
111.00841	3.6
111.08143	35.5
113.02460	13.7
115.04003	5.0
116.92875	12.0
125.02425	27.5
131.03528	3.6
133.03131	2.9
149.04573	14.8
152.07039	2.9
155.07149	21.8
158.79033	2.9
161.04590	6.3
166.50378	2.7
191.05612	57.1
192.06041	3.4
233.06664	16.0
239.05669	2.6
293.08896	43.9
320.41794	3.0
353.08832	3.1
373.28870	3.9
407.15591	3.7
449.16748	87.2
467.17542	49.3
491.17792	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	526.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47652	0.9
76.73404	0.9
82.16195	0.9
101.34032	0.9
121.22870	1.0
129.64070	0.9
216.70021	1.0
301.04248	1.2
453.33844	100.0
454.33908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63745	0.2
54.70955	0.2
59.01381	3.7
71.01380	2.4
73.02932	0.4
75.00872	1.2
78.95905	3.4
79.95736	1.9
82.46802	0.2
83.01454	0.2
85.02968	1.6
87.00887	0.6
88.98793	0.3
89.02431	3.6
93.03421	1.0
96.96008	100.0
96.96893	5.0
98.24474	0.3
99.00868	0.6
101.02462	1.9
101.23349	0.2
113.02443	1.0
121.02974	0.5
126.81843	0.3
135.04524	0.5
144.87425	0.2
149.04567	1.0
153.05579	0.5
154.49023	0.3
173.04483	0.3
191.05647	5.0
195.59323	0.2
197.04581	1.9
199.04134	0.2
203.09166	0.3
255.18126	0.2
293.08835	0.3
333.47546	0.3
353.08893	0.3
430.08139	0.3
451.17984	0.4
467.21997	2.3
510.42999	0.3
527.12042	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	527.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
57.03458	2.1
59.01385	77.0
68.99794	1.6
69.03499	2.6
71.01385	68.8
72.99342	2.7
73.02937	22.1
75.00883	3.3
81.03464	1.8
83.01402	2.9
85.02949	13.2
87.00887	6.5
89.02451	100.0
90.95100	1.8
95.01432	2.2
96.96021	4.0
97.02969	7.1
98.48195	1.7
99.00877	26.6
101.02456	43.4
111.08168	31.0
113.02451	16.3
115.04030	6.7
116.92846	2.8
119.03520	10.8
123.58363	1.7
124.76073	1.5
125.02452	18.6
131.03470	12.0
149.04582	18.4
155.07117	18.3
161.04530	10.2
164.32309	1.7
172.08881	1.7
173.08170	8.3
179.05609	12.5
191.05614	10.8
207.84731	1.6
233.06657	14.7
251.07747	3.8
254.42293	2.0
293.08841	25.5
335.13333	2.5
338.45627	1.8
449.16653	62.4
467.17758	85.7
481.84189	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	526.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82898	0.3
57.03117	0.3
59.01394	5.7
61.98838	100.0
71.01385	3.8
73.00692	0.3
73.02962	0.6
75.00882	0.3
79.73209	0.3
83.01393	0.3
83.29659	0.3
85.02960	1.5
87.00904	0.4
89.02468	2.6
93.03423	0.5
99.00897	0.3
101.02437	2.6
113.02434	1.7
113.74001	0.3
116.92867	0.6
119.03468	0.6
145.07741	2.9
155.10806	0.3
161.04599	0.8
188.08289	2.1
191.05585	1.4
210.12149	0.5
214.09898	0.5
253.67609	0.4
329.15118	0.8
384.68127	0.4
418.05280	0.3
465.23428	0.5
466.23853	2.9
484.19345	1.6
526.19635	0.4
526.28052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82898	0.3
57.03117	0.3
59.01394	5.7
61.98838	100.0
71.01385	3.8
73.00692	0.3
73.02962	0.6
75.00882	0.3
79.73209	0.3
83.01393	0.3
83.29659	0.3
85.02960	1.5
87.00904	0.4
89.02468	2.6
93.03423	0.5
99.00897	0.3
101.02437	2.6
113.02434	1.7
113.74001	0.3
116.92867	0.6
119.03468	0.6
145.07741	2.9
155.10806	0.3
161.04599	0.8
188.08289	2.1
191.05585	1.4
210.12149	0.5
214.09898	0.5
253.67609	0.4
329.15118	0.8
384.68127	0.4
418.05280	0.3
465.23428	0.5
466.23853	2.9
484.19345	1.6
526.19635	0.4
526.28052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58271	0.5
55.01891	0.5
57.03484	0.6
58.00603	1.0
59.01389	76.2
59.23351	0.5
61.98841	1.2
66.43472	0.5
68.95470	0.6
69.03481	0.5
71.01386	45.0
72.99322	2.4
73.02951	18.6
81.03552	0.5
83.01401	0.5
85.02958	6.2
87.00895	0.9
89.02454	100.0
91.19107	0.5
99.00887	30.5
101.01781	1.3
101.02452	33.7
104.96844	0.5
111.30899	0.5
113.02452	5.8
115.03979	0.6
118.20457	0.6
119.03513	2.6
125.02448	3.2
127.41489	0.5
129.29327	0.5
131.03517	10.7
134.47653	0.5
136.01572	0.6
143.03496	2.2
149.04578	48.5
161.04582	2.2
191.05655	14.5
221.06708	6.4
241.03641	0.6
251.03938	0.6
251.07770	5.1
257.36890	0.6
268.19873	0.6
281.09045	0.6
293.08841	2.5
311.09952	3.7
389.95178	0.6
465.23257	2.2
465.73889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.9
61.98848	17.4
67.61280	6.8
68.58514	6.0
71.01383	100.0
92.76763	6.6
101.79827	7.4
111.79712	6.3
128.05426	6.5
160.01691	15.2
161.10786	7.7
175.03999	36.6
199.95300	6.8
291.24887	7.3
453.33823	94.6
489.28754	35.7
503.80746	8.2
525.36279	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.22165	0.9
59.01384	20.6
59.72598	0.8
61.98837	56.6
71.01383	13.8
72.59197	0.9
73.02965	5.9
81.03354	1.0
83.01408	5.3
84.47574	1.2
85.02961	6.4
87.00892	1.1
88.98824	1.6
89.02457	2.4
93.03479	1.3
99.00890	1.6
101.02448	13.7
107.01385	1.6
113.02463	4.9
119.03507	1.5
121.02947	4.3
129.76532	1.2
135.04549	1.4
144.04527	10.9
148.01735	2.1
151.00391	10.7
155.10719	7.5
156.11134	2.3
159.03081	1.1
160.01714	3.5
161.02504	1.4
161.04564	2.1
163.00377	1.2
164.00995	1.0
175.04007	1.1
178.99884	5.1
188.03566	3.9
191.05627	6.1
199.09830	2.0
200.10159	1.3
206.27635	1.2
211.04016	1.8
227.03505	4.2
243.03009	10.9
245.04576	1.1
254.02232	1.2
255.03027	28.2
257.90894	0.9
270.99628	2.0
271.02536	60.1
282.49905	1.2
300.02808	100.0
301.03564	36.7
333.19211	2.0
361.14902	1.1
363.22226	1.2
408.92404	1.1
463.08920	82.4
465.23132	10.0
466.24136	9.3
525.21497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1755
Annotation	Physalin F
Peak:m/z	Relative Intensity
55.01898	1.0
57.72519	1.1
59.01108	2.1
59.01390	30.3
61.98848	1.9
63.27824	1.2
67.38403	1.1
71.01385	25.8
73.02934	8.8
77.72891	1.2
83.01392	1.7
84.04846	1.1
85.02969	6.9
86.43777	1.2
89.02445	34.0
89.90038	1.3
95.36366	1.1
96.50261	1.1
97.02982	1.3
99.00881	14.5
101.02446	20.1
113.02464	7.9
119.03485	3.0
125.02452	2.6
131.03529	5.0
149.04564	9.6
161.04543	5.9
162.89275	1.1
165.01985	1.9
167.03477	1.6
171.75719	1.3
177.09204	2.6
191.05641	3.0
333.19226	1.5
357.15662	2.7
465.23401	7.4
484.51950	1.4
489.19934	96.7
525.17542	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	525.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
67.43968	12.5
67.65173	11.3
71.01398	22.9
73.02956	10.6
80.41412	10.7
86.99817	14.4
87.68797	12.9
89.02451	22.3
93.03494	13.1
101.02484	17.6
106.72397	11.8
127.08651	12.0
168.36804	14.4
174.93414	12.4
176.27130	11.9
333.13531	13.5
465.23477	18.3
525.22418	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65634	1.1
55.01891	2.1
59.01386	21.2
59.79026	1.0
60.99344	1.6
61.98843	1.9
71.01386	25.6
73.02946	6.6
77.82793	1.1
83.01405	3.0
83.31380	1.3
85.02957	9.3
87.00874	2.3
88.98824	7.9
89.02443	14.9
89.87810	1.2
93.02856	2.4
93.03455	65.9
95.01393	2.9
96.96006	47.0
96.99306	1.3
99.00885	5.4
101.02452	18.5
108.02222	1.7
113.02475	9.0
119.05067	1.3
121.02964	5.9
123.00886	1.4
125.02407	1.4
128.76744	1.2
134.03746	5.4
135.04527	1.7
136.01703	5.8
137.02448	97.3
138.03212	7.8
140.50612	1.2
145.02940	2.4
147.74362	1.1
149.04608	1.5
150.03284	1.8
151.03941	2.0
153.01952	1.9
153.05568	2.9
160.01628	2.0
161.04556	1.9
163.04042	3.1
165.01929	95.7
165.05658	1.5
168.04340	2.3
175.04015	5.8
179.03539	2.9
180.04300	68.5
183.06602	2.8
191.05667	10.6
193.05090	3.0
195.02971	3.0
195.06641	100.0
209.02785	4.8
235.00853	1.3
281.06702	79.6
427.07059	8.1
460.50876	1.3
465.19446	11.2
489.16354	2.0
525.16162	61.5
525.23572	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	525.1759
Annotation	Physalin F
Peak:m/z	Relative Intensity
52.67608	1.2
56.65673	1.1
58.31486	1.1
59.01393	33.0
60.92109	1.3
61.98841	3.0
62.20061	1.2
66.83495	1.2
68.52865	1.2
69.03481	1.5
71.01385	28.4
73.02958	11.0
75.00902	1.9
78.31001	1.3
83.01404	2.3
83.55375	1.2
85.02943	12.1
87.00887	1.8
89.02452	25.9
96.96035	1.6
99.00867	10.2
99.04479	1.7
101.02453	27.4
111.08201	1.8
111.85234	1.3
113.02489	11.1
115.03961	1.6
118.98061	1.3
120.11214	1.4
125.02457	3.3
135.04443	1.9
139.07622	12.4
143.03448	1.5
149.04596	3.0
155.10744	2.5
161.04657	9.8
191.05634	7.7
199.09816	2.4
293.08948	2.8
308.48611	1.7
357.15692	2.9
480.75681	1.7
489.19919	90.0
525.17566	100.0
525.28680	5.5
546.44867	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	524.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24380	0.5
61.98834	100.0
62.28865	0.4
100.81780	0.4
117.03471	0.7
119.05017	1.1
145.02956	6.4
210.66656	0.5
331.12674	0.5
415.05405	0.5
433.66946	0.5
461.29257	6.4
524.31775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01385	25.9
60.99318	0.7
63.91986	0.5
66.48797	0.6
69.03452	0.7
71.01382	17.3
72.99312	1.0
73.02935	5.8
74.99122	0.6
75.00877	0.9
83.01422	0.9
85.02964	6.4
87.00890	1.5
88.98815	2.7
89.02444	16.8
93.03465	1.4
96.96017	6.0
99.00877	5.5
101.02441	13.1
111.00896	0.6
113.02454	6.3
117.03468	3.7
119.03516	4.5
119.05011	0.7
125.02444	1.2
131.03502	1.3
132.02174	12.4
133.02927	1.3
134.03741	48.1
135.04501	3.1
136.96094	0.6
137.02466	3.6
143.03549	0.8
147.04562	1.0
148.05280	1.1
149.04558	2.6
149.06078	7.3
151.06128	6.0
155.10802	0.6
160.01666	87.9
161.02353	1.4
161.04485	1.1
164.61552	0.7
173.04552	0.6
173.06079	1.1
175.04016	86.9
176.04776	7.9
177.01945	0.8
178.02748	3.1
191.05569	5.8
191.07149	8.2
193.05074	47.5
207.06703	3.3
220.03944	0.8
235.06117	23.0
265.07184	2.7
295.08264	3.1
324.35425	0.8
333.15604	7.4
341.08542	0.7
465.19797	29.4
489.16232	100.0
490.16647	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	523.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40011	0.8
59.01381	1.5
61.98841	1.3
63.53503	0.8
64.29328	0.9
67.46091	0.8
78.95894	1.6
104.17799	0.8
179.89256	1.7
193.90857	1.1
195.13455	0.9
196.89494	1.4
441.33817	100.0
442.34268	0.9
455.35419	1.6
523.17670	2.0
523.34161	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
60.73727	0.5
61.98836	0.8
73.39732	0.4
87.98556	0.5
114.39400	0.5
118.56571	0.5
132.40544	0.5
202.01695	0.6
243.59929	0.5
249.09277	0.5
281.08456	0.6
331.24832	0.5
404.01297	0.5
441.33813	100.0
442.34070	1.9
455.35361	3.1
523.34186	48.3
524.34918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35357	0.6
53.12002	0.7
53.87830	0.7
59.01411	0.8
60.94295	0.7
61.98836	100.0
62.04823	0.6
64.34053	0.7
64.41660	0.6
69.72775	0.7
80.96626	0.7
137.57407	0.7
152.81990	0.8
166.44881	0.9
185.97899	0.9
273.71884	0.9
274.47968	0.9
400.46039	0.9
461.25107	1.1
470.33664	1.3
488.34698	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	523.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.6
59.83282	6.3
67.10457	5.4
84.03544	6.0
94.75296	7.2
120.53784	6.6
120.61593	7.9
137.58208	6.9
180.00357	6.9
241.44745	6.2
322.99332	6.6
487.34570	51.8
523.32202	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	523.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13987	2.7
59.73815	3.1
62.87244	3.0
71.69707	3.3
91.33830	3.5
135.64041	3.3
142.58998	3.2
156.33919	3.7
173.71294	3.9
250.08762	3.9
268.27460	3.5
408.16406	4.0
423.06558	3.7
456.07462	4.0
477.04529	4.2
487.34650	16.0
523.32227	100.0
545.44220	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	523.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29540	0.6
61.98829	2.2
94.92553	0.8
125.68546	0.8
136.88614	0.9
189.10699	1.0
223.20822	1.2
228.17639	1.0
372.92303	0.9
399.36267	1.7
443.35446	35.2
443.41663	1.3
451.19955	1.2
469.21817	1.2
469.33499	1.2
479.29523	1.1
487.34363	100.0
488.34863	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	523.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00022	2.7
58.67723	1.9
59.01400	5.3
61.98842	14.5
69.65525	2.0
91.05338	3.0
108.01630	2.4
117.82106	2.3
173.11836	22.7
206.31842	2.5
313.23917	2.5
331.24869	23.0
352.13129	2.4
485.33026	5.4
487.36057	57.9
521.64130	3.0
523.32001	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	523.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
61.98835	100.0
74.85576	1.7
80.32040	1.6
92.10756	3.8
144.54454	1.8
145.02948	8.8
146.03320	3.1
152.99594	3.2
186.58574	1.8
291.95190	1.9
408.28366	2.0
454.93915	1.9
460.28107	8.2
523.31964	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61400	2.2
59.01393	30.3
59.01667	3.5
61.98842	10.9
67.78366	2.0
73.71563	2.0
74.50820	2.1
86.27357	1.9
115.40082	2.2
130.99515	2.1
136.72215	2.2
178.19704	2.2
263.14111	2.1
274.39175	2.8
412.57742	2.4
487.34497	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	523.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97356	1.4
54.82819	1.5
55.01888	3.0
57.03465	1.5
59.01387	47.3
60.79477	1.5
61.98833	8.5
63.27509	1.5
69.03431	1.5
71.01382	32.6
72.99313	2.6
73.02943	10.0
75.00871	2.8
83.01385	3.3
85.02950	8.1
89.02442	24.1
93.03436	3.9
95.01379	1.8
97.06562	2.0
98.03487	1.7
99.00867	7.1
101.02447	19.7
108.80765	1.7
109.06553	4.2
113.02449	12.2
119.03516	3.1
123.08150	7.4
131.03506	1.6
133.02872	1.9
149.04532	3.7
161.04561	2.1
168.53336	1.7
169.26195	1.8
173.04570	2.2
191.05641	7.8
234.29541	1.8
269.19250	2.0
287.20123	9.3
315.19730	3.3
317.21329	3.3
343.15381	2.7
343.19196	49.7
361.20074	11.3
379.52005	2.1
463.21527	3.4
523.25470	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	523.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20310	1.5
59.01389	38.1
59.88951	1.8
61.98848	13.7
71.01392	28.0
73.02975	4.3
73.19135	1.7
85.02950	11.3
88.98819	2.9
89.02448	24.1
97.06554	2.3
99.00902	3.6
101.02454	19.1
109.06634	3.2
113.02479	4.8
123.08209	3.9
130.27383	2.1
135.04573	2.7
149.04561	2.3
152.05049	2.3
152.07251	2.4
182.29173	2.1
191.05646	7.5
269.19220	3.6
287.20197	4.8
315.19568	3.0
317.21234	2.5
343.19193	43.3
361.20477	19.3
391.68027	1.9
463.21967	4.4
523.18335	4.4
523.25580	100.0
541.62097	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	523.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32993	0.6
55.01882	1.6
56.69781	0.7
57.03199	0.6
57.03469	3.8
58.00615	1.0
58.99543	0.6
59.01381	29.1
59.01648	1.3
59.48398	0.7
69.03467	0.9
71.01385	29.9
72.99314	0.8
73.02953	16.2
73.38347	0.6
82.54185	0.7
83.01409	4.6
83.05043	0.7
85.02960	13.0
85.03390	0.8
87.00920	1.0
87.04525	1.7
89.02448	17.6
92.10185	0.8
93.03454	1.2
95.01408	1.8
99.00906	6.5
101.02450	18.2
106.51981	0.8
113.02440	9.3
117.66624	0.7
119.03531	3.3
119.05017	1.0
125.02448	3.6
131.03551	1.5
134.03806	1.8
135.08281	1.1
136.01610	1.2
137.02422	1.2
137.09737	12.0
137.10693	1.1
141.14949	0.8
143.03526	0.8
149.04564	3.5
155.10786	100.0
159.02975	1.2
161.04550	6.5
169.12346	1.0
175.04012	0.9
181.08754	1.3
191.05658	3.1
196.49551	0.8
199.09784	60.0
204.29564	0.7
213.11258	0.9
215.10199	0.6
241.10861	6.3
271.11749	0.9
301.12878	3.8
331.17624	1.7
340.68796	0.8
361.15137	4.9
463.21939	41.3
523.20892	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	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.9
57.03461	1.2
58.00597	1.0
59.01384	98.6
69.03474	1.0
71.01381	67.0
72.99328	4.6
73.02947	25.2
75.00875	1.4
76.58440	0.8
82.26334	0.8
83.01405	4.2
85.02950	18.0
85.03391	1.1
87.00875	6.2
87.04556	1.1
89.02440	88.0
89.04569	0.9
95.01383	1.6
97.02960	3.2
99.00872	26.6
101.02442	45.1
101.03087	1.6
105.84189	0.8
113.02454	21.6
115.04033	1.4
117.15107	0.7
119.03478	13.6
123.08143	8.1
125.02448	6.2
128.90192	1.0
129.01988	1.0
131.03513	12.9
137.02438	1.2
137.09718	5.5
143.03542	1.0
149.04556	28.6
155.10796	49.9
159.03009	1.0
161.04590	4.5
169.12384	1.5
179.05557	1.0
191.05641	11.8
199.09790	27.7
221.06781	1.4
227.90541	0.9
230.40921	0.9
241.10925	1.7
251.07780	4.6
293.08780	1.6
301.13016	2.1
324.34149	1.0
331.17850	3.6
343.21005	1.0
361.15314	1.5
363.22092	0.9
447.52048	0.9
463.21982	100.0
464.21942	3.2
523.26306	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	523.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77428	0.5
53.11473	0.5
54.82733	0.7
55.01887	0.6
57.03473	1.0
58.00615	1.0
59.01382	13.6
59.35986	0.6
62.43246	0.6
64.45827	0.6
68.64487	0.6
71.01378	11.8
72.20258	0.7
72.99301	0.9
73.02941	8.8
83.01392	0.9
85.02984	4.9
87.00869	1.5
87.04510	8.1
89.02449	9.2
93.03489	1.4
96.96011	0.8
99.00880	5.8
101.02446	17.9
101.73797	0.7
103.58209	0.7
107.05068	1.0
108.02210	1.1
109.02948	0.6
111.04518	0.8
113.02454	4.7
116.35831	0.7
119.05006	1.0
125.02439	0.8
125.06039	1.1
135.04552	3.2
137.09724	21.0
145.02983	1.1
149.04591	1.0
149.09761	1.4
149.29968	0.8
151.03999	1.3
152.01123	1.2
155.10797	100.0
161.04572	1.4
163.03993	1.4
167.10838	1.0
169.08658	0.7
169.12299	5.4
181.08746	6.5
184.64821	0.7
191.05646	3.8
199.09784	66.5
213.11317	5.5
241.10829	21.1
253.10846	1.3
271.11911	3.2
297.43622	0.7
301.12967	13.3
331.14063	1.5
361.15118	13.0
411.96063	0.8
463.18106	10.2
523.10333	0.8
523.26642	1.2
525.97217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69553	0.5
53.08262	0.4
57.49377	0.5
59.01394	13.0
61.98834	1.2
63.45249	0.5
67.19762	0.5
71.01392	8.6
73.02959	1.3
80.15245	0.6
82.95467	0.7
83.01386	0.8
84.11050	0.5
85.02968	3.7
87.00893	3.0
89.02435	8.3
92.10743	1.3
93.03459	0.6
96.96003	5.0
99.00869	2.3
101.02438	5.9
111.30812	0.5
113.02470	3.5
117.03466	20.3
117.82496	0.6
119.03583	1.1
119.05019	35.2
125.02543	0.6
126.90363	1.2
132.05896	0.6
133.06596	2.5
145.02960	100.0
161.04817	0.6
161.06070	6.3
163.04007	40.8
177.05606	4.6
187.03932	0.7
191.05507	4.0
192.42136	0.6
199.09650	0.6
205.05031	8.4
235.06146	3.1
265.07141	7.0
270.07062	0.6
307.08292	2.7
325.09326	2.9
348.50595	0.6
463.18124	2.6
487.14648	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74242	1.2
59.01384	15.6
61.98839	2.3
63.71878	1.3
67.08865	1.4
68.99575	1.7
71.01400	2.2
75.70633	1.4
76.38197	1.4
78.70842	1.3
80.74657	1.5
88.98834	3.6
89.02453	3.6
96.96027	10.5
97.05141	1.2
101.02441	2.0
110.46781	1.3
112.12546	1.2
112.84836	1.5
116.92864	14.5
116.97265	1.7
119.05033	96.3
145.02946	9.1
149.02432	7.4
160.04103	2.8
161.04486	1.8
163.04033	100.0
164.04810	13.4
179.07188	19.8
191.05664	2.3
227.09216	6.4
325.09360	35.1
463.18243	3.4
523.12225	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	522.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74006	0.2
53.91643	0.2
55.82627	0.2
59.77928	0.2
61.98843	100.0
62.12515	0.2
64.34019	0.2
86.88783	0.2
111.93403	0.2
117.03473	1.4
117.90361	0.2
119.05035	0.3
145.02969	8.2
200.14093	0.2
259.74521	0.2
281.92908	0.2
313.23999	0.8
459.27548	5.2
484.33649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54280	0.7
59.01389	7.7
60.70912	0.7
70.83896	0.7
71.01390	7.2
78.46920	0.8
79.21661	0.8
85.02985	3.6
89.02453	3.1
92.10732	1.1
96.96030	1.0
101.02451	5.2
119.03530	1.2
123.03259	7.4
123.64600	0.9
125.02438	1.2
133.46906	0.9
138.05615	100.0
180.06619	1.4
191.05641	10.1
274.91223	0.9
289.35782	1.0
295.83734	0.8
323.09940	3.9
462.16251	23.4
477.16415	1.0
521.03406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86751	0.2
54.12362	0.2
56.17095	0.3
59.01109	0.5
59.01389	9.8
60.01727	0.6
60.35587	0.3
61.01812	0.4
61.90719	0.3
61.98837	100.0
65.98338	0.3
76.87324	0.3
78.95894	0.4
85.91234	0.3
95.60342	0.3
117.03517	2.3
119.05067	0.6
125.14725	0.3
139.69963	0.3
145.02971	14.3
163.04010	0.6
167.53603	0.3
194.37402	0.3
276.99365	0.3
313.23917	0.6
459.27557	9.4
536.55127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48382	1.0
58.79467	1.1
59.01384	14.3
61.98840	5.3
71.01387	5.0
72.01746	0.9
72.99301	1.0
80.05058	5.2
85.02976	2.0
87.00892	1.4
89.02461	2.0
92.10886	2.2
93.03470	6.4
94.50836	1.0
99.00877	1.3
101.02478	1.5
104.05068	14.1
106.06625	17.3
108.08204	5.5
109.02935	1.2
111.00872	1.2
112.66464	1.0
119.05029	4.7
120.04563	4.6
122.06124	11.5
127.22569	1.1
132.04556	15.9
132.08217	1.7
134.06145	9.9
134.09766	4.7
135.04524	7.9
148.04054	100.0
152.07167	10.6
155.03641	1.4
155.10822	2.4
160.01691	1.1
160.04091	11.4
161.02385	1.8
163.04007	1.3
166.05095	37.3
168.06894	1.3
173.04582	1.6
178.05103	8.1
179.03471	1.9
182.68716	1.1
183.09294	5.9
191.05647	19.3
199.12433	1.4
209.11835	7.1
211.08784	1.5
213.10330	2.2
224.09549	4.1
225.10385	6.1
239.11888	5.6
249.10574	1.6
265.09708	1.3
283.11005	2.5
285.12512	6.6
301.12009	2.4
309.12473	1.5
327.09891	22.3
327.13358	1.7
329.11517	6.6
345.11002	41.7
371.12930	1.5
442.13605	1.4
460.15143	6.9
478.16611	11.2
489.01065	1.4
504.14334	14.5
522.15137	51.8
523.16046	1.7
542.83850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.41153	0.9
61.98840	7.6
86.35863	1.0
92.10801	2.5
120.77161	1.1
165.69211	1.1
377.30765	1.5
485.33032	2.0
529.96399	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	521.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98849	1.9
81.86936	0.9
87.02555	0.8
99.92583	1.1
111.92730	0.8
116.92880	8.2
170.91991	0.8
179.10144	0.8
187.80321	0.8
391.30145	7.3
411.33029	1.0
439.32407	1.6
463.36511	0.9
521.32513	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	521.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41035	9.6
59.01401	51.4
61.98840	100.0
75.24516	10.7
83.37151	9.8
88.30676	9.9
88.51067	9.1
91.04337	10.2
103.85841	11.0
207.75400	10.4
230.84424	10.5
252.80258	10.7
485.32846	16.0
521.30475	90.2
527.39093	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	521.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05315	4.6
53.16948	5.0
59.01387	100.0
60.38783	6.3
61.98846	37.8
66.07563	4.6
96.94642	6.7
103.39519	6.3
114.39673	5.8
147.14453	5.2
161.02538	6.5
227.24872	5.4
253.06544	5.9
266.61844	5.8
344.52347	7.1
349.17807	6.5
371.84720	5.6
423.33044	7.4
461.32303	6.7
485.33005	75.9
521.30768	28.2
543.92023	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	521.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.5
59.60400	0.9
59.92734	0.9
61.98845	8.8
78.98085	1.0
79.35066	0.9
81.05470	0.9
84.38545	0.9
89.39317	1.0
92.10107	3.1
141.03456	0.9
150.94003	1.0
391.30222	2.6
408.71808	1.1
439.32205	5.3
497.15448	1.2
521.32568	100.0
522.32935	1.5
524.87488	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	521.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40828	1.5
55.01901	2.9
55.17027	1.6
55.82601	1.8
56.61765	1.6
57.03462	3.5
58.00606	3.0
59.01388	87.3
61.98830	3.6
69.03465	2.7
71.01390	66.5
71.01772	2.6
72.99328	8.1
73.02947	25.4
76.92493	1.5
82.95419	2.6
83.01412	9.0
85.02953	21.7
87.00901	3.3
89.02448	65.5
93.03480	4.3
96.96015	22.3
97.02972	3.7
99.00880	19.2
99.92592	2.2
101.02465	45.6
113.02471	20.3
113.96850	1.8
116.92864	20.1
119.03510	11.6
119.05026	3.0
125.02483	8.2
131.03526	3.9
134.38065	1.7
135.04550	3.8
143.03499	4.1
145.02994	9.3
149.04623	13.0
153.09290	3.6
160.01720	2.0
161.04587	11.9
163.04063	2.0
173.67580	1.9
175.04079	3.4
177.47667	1.8
179.03537	2.6
179.05809	2.9
191.05659	29.0
192.06094	2.3
197.08240	2.8
209.04626	2.4
251.05672	3.3
293.09088	3.8
389.21866	13.8
461.20615	4.0
485.17435	2.4
521.26239	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	521.2163
Annotation	Carpelastofuran
Peak:m/z	Relative Intensity
52.83470	6.0
53.28250	6.2
54.82621	7.0
59.01400	88.2
71.01402	36.8
72.21046	6.6
74.10162	6.6
89.02457	53.3
89.74969	7.1
91.38689	7.0
99.00903	9.3
101.02452	34.6
124.76461	6.7
131.03410	7.7
149.04552	37.7
180.26437	7.0
218.45285	7.9
327.52109	8.1
422.18530	8.3
474.12244	9.8
485.23999	44.6
521.21771	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	521.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.9
58.00614	1.3
58.41179	0.7
59.01394	68.0
65.46308	0.7
69.65803	0.8
71.01391	48.0
72.99336	1.1
73.02956	19.8
75.00931	1.0
83.01389	0.8
84.70866	0.8
85.02959	7.7
89.02447	100.0
92.10770	3.2
96.96028	1.5
99.00876	32.7
101.02442	30.6
110.97980	0.9
113.02460	6.6
115.04037	1.0
119.03556	1.7
120.99698	1.1
121.02982	1.5
125.02454	4.0
131.03496	12.4
135.04561	3.7
143.03513	1.0
149.04567	49.5
160.01761	0.9
161.04536	3.7
165.12856	1.3
168.65813	0.7
186.42386	0.8
191.05638	19.2
219.92003	0.8
221.06601	6.5
251.07770	3.3
263.81998	1.0
293.08813	3.3
311.09903	5.0
365.04065	1.4
521.25549	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	521.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
56.72241	0.5
57.03450	0.8
58.00612	1.4
59.01389	100.0
71.01385	49.3
72.99318	4.1
73.02951	3.2
81.21811	0.6
83.01406	3.4
85.02963	11.2
87.00896	1.3
88.99352	0.6
89.02445	61.8
90.59547	0.6
95.01397	3.9
98.97268	0.6
99.00915	2.6
101.02448	25.8
109.02980	2.8
113.02464	21.5
119.03504	24.7
121.02976	3.8
122.03751	2.4
123.04538	1.2
125.02435	0.9
131.03502	1.3
139.88708	0.6
143.03491	4.0
149.04564	2.4
159.04524	3.7
160.05327	8.0
161.04565	4.2
161.06000	1.2
172.05273	5.6
173.04626	0.9
173.06091	3.3
174.06808	1.0
175.07622	3.4
179.05618	10.2
187.07657	0.9
189.05612	8.1
190.06403	9.6
205.08765	5.9
277.65198	0.7
281.08258	3.1
296.10541	5.4
311.13080	5.3
329.13898	1.3
341.13995	18.4
389.21967	1.5
521.19788	3.3
521.27057	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	521.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33672	2.0
51.72644	2.7
56.54693	2.6
58.00626	3.1
58.42944	2.2
59.01384	94.3
59.01653	4.8
60.99364	2.7
69.03471	12.3
71.01388	86.7
72.99323	6.6
73.02959	12.5
75.00882	2.4
78.95934	12.2
83.01416	4.3
85.02959	11.6
87.97527	2.5
89.02451	91.3
91.68671	2.7
93.03484	11.9
96.96011	21.8
97.02973	15.2
99.00903	19.5
101.02465	14.1
108.02197	3.9
111.00923	2.9
113.02473	5.8
115.04015	6.6
115.67489	3.0
121.02982	5.6
122.03724	3.0
125.02450	39.7
131.03529	6.4
137.02455	18.7
138.02002	12.5
143.03540	4.1
149.04607	11.8
150.05675	4.5
152.04807	53.7
167.07144	31.2
191.05658	19.8
191.07127	2.9
231.94746	2.9
233.06728	31.7
242.05975	4.1
271.09784	11.3
293.08844	100.0
333.39569	2.7
461.12555	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	521.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71476	1.4
59.01384	81.6
66.70862	1.7
69.03471	8.5
71.01385	79.1
72.99313	2.4
73.02942	13.0
75.00892	3.3
81.03458	3.5
83.01418	3.6
85.02979	9.5
89.02448	98.7
89.24235	1.8
96.96040	3.3
97.02964	16.2
98.12826	1.8
99.00881	15.1
99.52959	2.2
101.02422	21.7
113.02467	7.7
115.04029	11.1
121.02949	3.2
122.03780	7.4
125.02443	49.9
131.03534	7.9
138.05629	7.9
143.03511	1.9
149.04564	11.4
152.04805	60.0
152.05934	3.6
161.04572	2.2
166.02675	2.1
167.07153	22.8
191.05656	17.9
221.86273	2.1
233.06688	28.6
263.64267	2.0
293.08829	100.0
322.44290	2.4
474.45303	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	521.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	10.1
62.96952	0.4
71.01392	3.9
71.05051	1.1
72.99322	5.1
73.02967	4.6
75.00879	45.7
81.03493	3.4
85.02976	2.3
87.00874	4.9
89.02459	5.4
90.66656	0.5
92.10106	1.2
97.02927	1.0
99.00861	3.8
99.04535	2.8
101.02477	0.8
105.01933	0.8
105.40305	0.6
131.03494	1.2
138.51308	0.6
140.61917	0.4
143.03494	8.8
161.04578	8.6
165.04091	2.0
168.32809	0.5
179.05629	100.0
180.06010	0.5
276.91171	0.6
341.10873	2.0
541.34656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1675
Annotation	Albidoside
Peak:m/z	Relative Intensity
57.26024	0.5
59.01383	7.5
69.03474	0.7
71.01380	7.7
71.01665	0.5
73.02953	3.3
75.00881	0.5
83.01376	1.3
83.52592	0.6
85.02973	3.1
87.00866	0.7
89.02435	5.7
93.03455	2.5
95.01369	0.7
96.96027	1.2
97.09575	0.5
99.00887	2.7
100.12405	0.5
101.02440	5.0
105.01942	0.5
108.02159	0.5
109.03000	1.1
113.02466	2.5
117.03464	26.9
119.05009	11.3
120.99638	0.6
121.02963	1.2
122.03736	3.3
125.02451	0.7
133.02922	0.7
135.04530	3.8
137.02438	0.8
145.02962	100.0
149.02493	0.9
149.04517	0.6
150.03229	31.4
159.04523	0.7
160.01682	2.3
161.04614	0.8
161.06187	0.6
162.57236	0.6
163.04034	10.1
165.05574	36.0
165.67720	0.6
173.52521	0.6
175.03987	3.0
186.37080	0.6
187.04004	0.8
191.05626	7.1
307.08313	31.5
315.03165	0.5
337.09143	0.9
461.20459	7.0
521.16608	23.0
521.24133	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	520.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
61.98836	100.0
67.65791	0.2
70.36963	0.2
71.01392	1.9
73.02949	0.2
85.02945	0.3
89.02457	1.4
89.62684	0.2
92.10795	0.7
93.03464	0.4
96.96002	0.3
99.00843	0.3
101.02425	0.5
113.02455	0.3
115.05152	0.3
126.66446	0.3
130.08772	1.9
156.55695	0.3
163.07556	0.2
191.05627	0.8
227.88516	0.2
270.21802	0.4
295.09390	0.4
363.53622	0.3
413.24088	1.9
457.26691	1.4
520.23602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96552	3.7
52.42508	3.6
59.01387	23.3
61.98846	4.9
66.16293	4.3
71.01381	7.3
72.97538	6.8
87.00884	6.5
93.03431	4.4
94.56662	4.6
96.96015	100.0
96.96973	6.8
98.95621	7.6
101.02416	5.3
115.20953	4.4
116.92838	8.8
135.04530	5.6
137.02409	6.4
197.80295	4.9
379.51971	5.6
401.10971	7.1
409.13733	7.7
521.16461	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46297	0.2
54.82438	0.3
59.01386	100.0
61.98835	50.0
62.98536	0.5
71.25210	0.3
76.89058	0.3
93.47491	0.3
103.04453	0.2
119.20242	0.3
158.57224	0.3
167.06796	0.3
274.38489	0.3
314.24161	0.3
411.50012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78535	0.2
59.01386	100.0
60.01712	0.2
70.79018	0.2
79.39438	0.2
100.19547	0.2
152.21942	0.2
161.69322	0.2
293.24368	0.2
335.50674	0.2
351.87625	0.2
392.90231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00181	0.3
59.01392	100.0
67.84348	0.4
120.53316	0.4
151.09341	0.4
163.52821	0.6
219.15536	0.4
289.63989	0.4
366.52014	0.4
390.17029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3699
Annotation	Hippuristerol F
Peak:m/z	Relative Intensity
51.01260	0.3
51.06513	0.2
51.24939	0.2
59.01388	100.0
61.98839	2.1
65.13974	0.3
66.47585	0.3
78.95913	0.7
81.49937	0.3
85.02954	0.7
103.23535	0.3
106.34869	0.3
127.58544	0.3
145.02974	0.5
151.69917	0.3
152.99512	0.4
165.53883	0.3
170.46277	0.3
184.74356	0.3
213.25220	0.3
228.52689	0.3
229.33817	0.3
235.76408	0.3
328.01074	0.3
345.28024	1.7
393.31952	0.5
423.32687	3.8
429.34128	1.1
439.32230	2.8
443.32040	0.4
459.34943	49.4
460.35211	0.6
483.30997	0.7
519.33801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16785	0.8
59.01387	100.0
59.80434	0.9
61.98835	1.9
84.36572	0.9
185.70227	0.9
234.88469	1.0
465.36417	1.1
485.32733	4.9
519.34143	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	519.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56121	0.2
54.87253	0.2
59.01388	100.0
60.01714	0.5
61.98830	3.0
65.39240	0.3
74.97140	0.2
78.95908	1.8
133.03165	0.3
142.06480	0.3
152.99593	2.3
433.24210	0.3
459.34607	1.3
473.35464	0.4
483.30853	0.4
519.33020	2.0
528.39563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32623	0.5
59.01386	100.0
61.98838	5.1
62.16836	0.6
64.99100	0.6
70.12451	0.6
96.06078	0.7
102.60641	0.6
111.34886	0.7
123.71709	0.6
399.65179	0.7
459.34833	4.6
473.35266	2.8
476.46716	1.1
483.32565	0.9
519.33289	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	519.3335
Annotation	Alisol P
Peak:m/z	Relative Intensity
59.01386	39.9
64.34593	2.3
77.68348	1.6
87.04551	2.5
110.59205	1.6
192.89561	1.6
218.24680	2.1
243.26398	1.8
252.54648	1.7
344.27664	1.8
393.31665	7.0
397.31665	2.2
399.32849	8.7
412.69037	1.9
413.30896	11.0
427.32306	10.4
429.33911	2.0
443.32126	2.2
457.33655	3.7
459.62411	1.9
461.32907	2.5
475.34488	8.0
501.31470	3.3
519.33484	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	519.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
56.34637	0.9
57.03465	2.5
58.97708	0.9
59.01389	59.3
61.45051	1.1
63.88212	0.9
69.03478	1.6
71.01386	39.3
73.02951	14.4
81.03450	1.3
83.01401	6.2
85.02956	12.4
87.00905	2.6
89.02448	44.8
97.02987	2.0
99.00873	18.3
101.02443	33.7
109.02969	1.5
113.02472	12.5
115.04033	1.5
116.92883	5.9
119.03509	6.4
125.02443	2.5
131.03531	5.2
135.04582	2.0
143.03537	1.3
149.04585	5.9
161.04597	4.2
175.04024	1.2
187.67137	1.1
191.05661	8.1
195.13960	1.3
225.15044	12.2
288.04797	1.1
387.20258	18.9
454.90338	1.2
459.18954	1.2
519.24609	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	519.3336
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
54.82801	2.0
59.01388	100.0
62.55227	1.6
64.84017	2.1
68.48104	2.1
73.14115	1.9
73.26029	2.1
75.07900	2.0
76.48742	1.8
85.80895	1.9
92.10122	13.0
135.93307	1.9
181.08900	2.0
191.14400	10.0
193.16008	25.8
205.15982	13.5
221.15456	10.3
249.14923	3.6
267.16040	46.1
297.51605	2.3
332.44980	2.2
448.96008	2.1
490.56552	2.3
501.32846	3.2
519.33417	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2465
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
50.45893	1.0
52.58396	1.1
55.01898	2.5
57.03460	2.7
58.00608	1.5
59.01388	81.1
66.69415	1.2
71.01386	62.3
73.02945	23.8
74.25515	1.1
75.30311	1.3
83.01392	2.0
85.02948	18.3
87.00877	2.0
89.02449	77.2
92.10457	15.6
95.01429	2.5
97.02968	2.7
99.00887	24.0
101.02454	39.7
113.02467	14.1
115.04005	1.9
119.03500	6.5
123.08159	14.0
125.02408	9.4
131.03503	8.3
131.28848	1.3
133.25455	1.4
137.09694	5.4
143.03548	1.8
149.04582	21.6
160.01649	1.7
161.04535	9.2
163.11292	11.2
173.09750	1.3
175.03981	2.7
189.12891	31.9
191.05667	5.0
207.14017	15.1
221.06578	1.7
225.14783	2.0
233.06642	5.9
270.48508	1.4
270.72397	1.4
293.08762	6.0
387.20041	13.1
519.24524	100.0
520.25244	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	519.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99111	0.9
57.03463	1.6
58.00592	1.3
59.01393	89.3
59.28405	0.8
61.98853	5.6
71.01394	48.4
72.99336	2.4
73.02962	20.6
85.02946	6.7
87.00898	3.8
89.02452	100.0
92.10123	1.0
93.03444	1.3
94.33717	1.0
95.94582	0.9
96.96009	1.1
99.00887	32.0
101.02448	30.0
103.00388	1.1
113.02475	6.6
116.17314	1.1
117.03484	2.0
119.03509	4.0
119.05028	1.8
121.02950	6.8
125.02434	4.6
131.03516	12.9
134.03772	1.9
145.02960	16.2
147.04655	1.0
149.04576	50.1
149.06004	3.9
161.04517	1.8
163.04050	4.4
164.04768	6.6
179.05563	1.2
179.07111	2.3
182.05972	1.1
191.05638	20.6
193.04961	1.4
197.08212	5.1
221.06696	1.8
251.07736	8.1
253.03564	2.1
266.31049	1.1
293.08783	1.1
311.10007	4.0
395.09937	1.0
459.15283	7.0
489.74036	1.1
519.24658	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	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66575	0.8
55.01892	4.6
57.03465	4.8
59.01388	52.7
59.46730	0.8
61.98846	4.4
68.59007	0.8
69.03477	1.4
71.01382	52.1
72.03318	0.8
72.99316	1.6
73.02945	19.5
73.03304	1.2
75.00873	1.6
77.51232	0.8
80.46799	0.9
81.03496	1.0
83.01382	9.7
83.01739	0.6
85.02954	26.8
85.58942	0.8
87.00897	1.6
89.02441	32.0
92.10194	1.4
95.01399	3.6
97.02947	1.8
99.00871	14.3
99.04546	0.9
101.02444	40.6
105.60480	0.8
111.00913	0.9
113.02460	16.7
115.04031	3.6
119.03497	4.6
120.99611	1.0
125.02447	5.1
131.03468	3.3
137.09662	1.7
143.03539	1.3
149.04544	7.6
159.03061	2.1
161.04578	12.4
179.05569	1.0
191.05629	5.9
225.15094	0.9
233.06651	3.8
293.08878	1.8
387.20276	17.7
519.24585	100.0
520.24811	1.2
545.00806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1883
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
59.01386	6.6
61.98833	3.7
71.01383	4.4
72.99316	0.6
73.02938	0.9
75.74686	0.3
81.56994	0.3
83.01420	0.5
83.33832	0.3
85.02960	3.6
88.98787	0.5
89.02438	3.0
90.99274	0.3
93.03458	2.2
95.01376	0.5
96.96049	0.4
99.00909	0.6
101.02454	3.3
108.02187	0.4
109.02969	0.7
113.02426	0.9
119.04980	0.6
120.99622	0.4
121.02125	0.6
121.02938	7.2
121.03738	0.4
122.03739	3.2
123.00911	0.5
123.04541	0.4
124.01682	0.5
133.02910	1.7
134.03712	1.8
135.04517	3.0
136.01662	83.7
137.02539	2.9
145.02966	0.7
149.06125	0.5
151.04018	100.0
151.47220	0.4
155.10793	0.5
159.04486	0.8
160.01735	0.7
160.05328	2.2
161.02437	4.3
161.04478	0.7
162.03194	1.8
163.04025	2.0
164.04831	1.8
168.93260	0.3
173.04579	1.4
173.06003	0.4
175.03984	0.8
175.07629	2.6
177.01999	0.6
177.05588	1.8
179.03539	2.7
181.05063	0.6
182.02213	0.7
191.05643	5.3
193.05078	0.5
197.04591	1.7
203.07137	0.5
237.08879	0.4
293.04370	0.4
313.11063	0.5
329.13986	0.8
342.11157	5.5
357.13516	61.9
358.13943	0.7
370.67371	0.4
459.18851	0.5
510.26212	0.4
519.14728	0.8
538.61914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
61.98839	0.6
71.01392	4.4
72.99301	0.2
73.02961	3.5
73.43797	0.2
74.99152	0.3
82.95470	0.5
83.01394	0.3
85.02981	1.4
87.00895	1.1
88.76805	0.2
88.98832	0.3
89.02457	4.1
96.96028	1.0
99.00906	1.7
99.92599	8.5
101.02431	1.7
109.03018	0.4
113.02447	1.7
113.97657	0.3
116.92870	100.0
117.01941	3.4
117.92912	0.4
125.02458	0.4
129.79842	0.3
131.03458	0.2
132.02159	0.3
133.02936	0.3
134.03760	2.7
135.04538	20.1
136.05283	0.6
147.04602	0.3
149.04590	1.0
149.06075	0.3
160.01692	2.3
161.02063	0.3
164.04840	0.2
175.04044	2.3
176.04654	0.6
177.01782	0.4
191.05585	1.0
191.07199	1.1
193.05099	1.9
194.05341	0.5
195.06685	1.9
235.06136	1.3
236.06679	0.3
236.72827	0.2
237.07806	0.3
241.08727	0.3
297.09741	3.5
341.11050	1.1
354.48621	0.3
435.68546	0.2
459.18900	1.0
519.16461	1.7
519.24561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67421	0.9
54.82770	1.1
58.42231	1.0
59.01386	63.0
61.98830	4.2
71.01379	15.6
73.02957	4.6
74.99112	1.6
83.92730	1.0
85.02953	6.9
88.98834	2.4
89.02445	18.2
93.03452	1.5
96.96032	5.3
99.00882	1.0
101.02434	14.2
109.02971	5.0
113.02472	4.4
116.92868	13.9
117.03466	6.7
118.98089	13.8
121.02975	11.9
122.03656	1.0
132.02176	20.1
133.02939	1.7
134.03748	73.0
135.04576	12.5
137.02434	1.9
143.03467	1.4
147.04523	15.2
148.05310	1.9
149.06126	11.7
159.04489	2.2
160.01671	96.5
161.02299	2.0
163.06131	1.8
164.04800	33.6
175.04022	100.0
176.04817	11.7
177.01865	2.0
178.02708	4.5
179.05937	1.1
179.07190	19.8
181.07147	4.9
191.05716	2.5
191.07144	15.2
192.04291	1.6
193.05072	66.1
197.08202	12.2
207.06648	6.1
220.03691	1.6
235.06137	30.0
242.52150	1.2
265.07266	2.5
268.39658	1.1
269.08173	4.5
269.12244	1.1
295.08215	6.7
297.09738	2.2
313.07111	2.1
325.11496	4.8
343.12653	1.5
355.10489	1.7
399.15692	7.3
438.71976	1.3
519.17249	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82592	0.4
59.01385	100.0
61.98855	0.8
92.10181	0.7
93.14087	0.5
277.41873	0.6
457.33270	3.8
471.34674	1.0
524.82861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71252	0.6
52.20978	0.5
59.01384	5.2
61.98836	100.0
65.87541	0.6
162.44966	0.7
168.46585	0.8
242.16127	0.7
243.58734	0.8
332.66916	0.7
458.37375	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	518.313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81859	0.2
56.37077	0.2
59.01397	9.9
60.01731	0.4
61.98844	100.0
84.21886	0.3
90.16930	0.3
152.71690	0.3
161.83873	0.3
243.60645	0.4
432.99527	0.4
458.33575	1.6
472.35242	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98637	0.6
59.01387	14.8
60.01715	1.0
61.98835	100.0
65.40051	0.5
67.22265	0.4
73.30240	0.5
77.80713	0.5
88.41286	0.5
152.15736	0.6
181.51479	0.6
235.66808	0.7
321.56079	0.6
343.53275	0.6
347.56332	0.7
352.04410	0.7
455.22296	0.6
458.33994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66288	0.2
59.01385	7.7
61.98835	100.0
64.21906	0.2
68.18809	0.2
97.50639	0.2
201.11101	0.2
282.40146	0.2
351.20621	0.3
407.80151	0.3
528.83026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.50904	1.8
61.98838	2.8
75.00591	1.4
79.93650	1.6
89.55173	1.5
123.05733	1.8
134.21254	1.9
144.88092	1.7
152.99600	2.2
208.49930	1.9
249.25311	1.8
251.09566	1.7
379.81781	1.9
438.87833	1.7
455.31296	2.3
457.32797	4.1
541.94037	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	517.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67030	0.2
59.01385	100.0
61.98861	0.2
64.02024	0.2
65.56765	0.1
87.00865	1.3
103.58371	0.2
181.52873	0.2
235.01503	0.2
238.14418	0.2
393.31799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37780	0.4
58.94437	0.4
59.01396	100.0
61.98851	4.0
97.22939	0.5
100.69285	0.5
101.28120	0.5
114.30934	0.5
191.05617	0.5
280.77887	0.5
313.14587	0.6
348.31052	0.5
381.77002	0.6
457.33270	2.2
471.34882	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98838	1.6
65.06774	0.8
81.72538	0.9
90.88534	0.9
91.13662	0.9
103.35188	0.9
116.64550	1.1
117.03440	1.1
136.31758	0.9
145.03003	9.5
157.01250	1.0
442.17163	1.1
457.33533	9.0
481.25717	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	517.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93275	0.2
54.23676	0.2
54.93420	0.2
57.35827	0.3
59.01386	100.0
59.31785	0.2
61.98837	1.4
63.45459	0.3
78.12298	0.3
82.68296	0.3
102.67219	0.3
114.38457	0.4
115.61163	0.3
115.92820	0.3
116.12252	0.3
203.76514	0.3
233.11809	0.4
409.31100	0.4
457.33383	9.2
517.31775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49459	1.3
57.03466	6.3
58.49556	1.5
59.01390	43.2
65.69220	1.2
67.01908	19.5
69.03464	1.9
71.11416	1.6
73.02940	1.5
75.15691	1.2
81.03471	12.5
83.05034	28.5
85.02982	3.4
86.14880	1.6
91.26227	1.7
93.03461	2.7
97.02953	2.5
97.06591	1.6
109.02986	2.1
111.04526	10.8
137.27448	1.4
142.88773	1.9
182.06033	1.6
189.12950	3.0
197.55640	1.6
213.89099	1.6
216.43057	1.5
218.28162	1.6
277.99789	1.7
287.56659	1.7
321.79755	1.6
455.32199	2.9
473.28751	21.2
517.31952	100.0
527.01563	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	517.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01383	86.1
59.97345	0.7
69.03444	1.3
71.01379	48.4
71.01776	1.7
72.99310	2.2
73.02940	21.3
75.00880	0.8
78.38427	0.9
85.02943	9.5
87.00851	1.7
88.91749	0.9
89.02439	100.0
89.85976	0.9
95.01392	1.4
97.02943	1.7
99.00874	38.7
101.02437	36.8
113.02438	11.7
117.81743	1.0
119.03465	2.1
121.02989	3.6
125.02431	4.0
131.03491	12.1
134.03722	7.0
143.71756	1.0
149.04562	50.7
149.05789	1.9
160.01660	6.1
161.04535	4.7
163.03896	1.0
175.04037	6.6
176.04866	1.4
191.05595	17.4
191.07220	3.7
193.05095	7.2
207.06721	1.2
221.06717	4.9
222.73355	1.0
235.06149	6.6
251.07693	4.1
265.07120	2.3
268.56204	0.8
293.08929	1.6
293.23520	1.0
295.08331	7.4
359.41217	1.0
401.14597	1.9
517.15588	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	517.3175
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
57.03442	1.7
57.44988	1.5
59.01391	64.3
61.98833	2.7
64.34381	2.0
68.97465	1.8
81.03481	8.6
82.17706	1.9
83.05038	20.2
85.02953	4.4
91.43443	2.0
93.03488	2.5
97.06588	2.3
98.64028	2.3
111.04523	4.8
125.09743	12.7
167.70004	2.0
187.09702	4.2
217.00336	5.0
225.09253	4.2
226.09662	7.9
318.93741	2.1
338.18375	3.3
339.18884	4.0
374.99261	2.4
483.26639	8.0
497.29236	3.0
498.29495	10.1
499.29868	98.4
517.31830	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	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00464	0.8
55.01902	7.5
57.03479	4.4
58.00621	2.4
58.59248	0.9
59.01396	86.9
61.98846	13.0
69.03468	9.9
70.65301	0.9
71.01392	100.0
71.33043	0.8
72.99323	2.4
73.02957	24.7
75.00879	4.1
81.03490	6.0
83.01393	9.6
85.02971	24.0
87.00907	3.8
88.25792	1.0
89.02454	83.3
91.24221	0.9
93.03480	1.2
95.01425	5.5
97.02948	15.8
99.00891	18.4
99.04558	4.1
101.02455	27.3
109.02925	1.2
111.00890	1.7
113.02460	14.5
115.04037	10.2
118.15529	1.1
125.02459	38.9
127.03993	1.5
130.68846	0.9
131.03471	7.2
137.02480	1.4
143.03531	5.1
149.04597	12.3
153.05658	1.1
161.02435	1.3
161.04590	6.9
165.33482	1.2
173.04538	1.6
175.04024	1.3
178.02742	8.2
179.03528	1.8
179.07222	2.2
191.05650	15.2
193.05153	13.9
207.06673	2.3
209.08342	1.5
223.09734	6.4
233.06696	33.8
269.38193	1.0
291.39932	1.1
293.08838	20.7
375.43402	1.1
481.23090	2.1
517.20630	4.2
519.50946	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	517.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44634	1.3
55.01889	1.7
56.45298	1.4
57.03459	6.6
57.39999	1.4
57.93153	1.4
59.01385	31.2
60.99263	1.6
61.98845	1.3
64.47354	1.3
71.01384	100.0
72.99310	32.8
73.02945	23.6
73.64237	1.2
78.12505	1.5
85.02965	8.6
85.26873	1.7
87.00881	50.1
89.02448	33.9
96.96011	44.1
99.00887	2.7
101.02435	10.3
101.06071	3.5
103.00359	2.2
103.04037	2.2
113.02463	6.4
115.00371	23.3
116.92874	3.5
117.01941	35.0
119.03529	2.2
129.01949	33.4
132.91371	1.5
133.01428	1.7
133.05048	16.3
147.03004	84.2
147.06656	27.1
149.06107	2.1
167.58911	1.4
189.05545	5.8
189.10522	1.7
197.48199	1.4
236.84628	1.7
265.09296	3.0
277.07413	1.8
341.11023	15.8
359.01892	1.5
369.14053	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	517.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44634	1.3
55.01889	1.7
56.45298	1.4
57.03459	6.6
57.39999	1.4
57.93153	1.4
59.01385	31.2
60.99263	1.6
61.98845	1.3
64.47354	1.3
71.01384	100.0
72.99310	32.8
73.02945	23.6
73.64237	1.2
78.12505	1.5
85.02965	8.6
85.26873	1.7
87.00881	50.1
89.02448	33.9
96.96011	44.1
99.00887	2.7
101.02435	10.3
101.06071	3.5
103.00359	2.2
103.04037	2.2
113.02463	6.4
115.00371	23.3
116.92874	3.5
117.01941	35.0
119.03529	2.2
129.01949	33.4
132.91371	1.5
133.01428	1.7
133.05048	16.3
147.03004	84.2
147.06656	27.1
149.06107	2.1
167.58911	1.4
189.05545	5.8
189.10522	1.7
197.48199	1.4
236.84628	1.7
265.09296	3.0
277.07413	1.8
341.11023	15.8
359.01892	1.5
369.14053	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	517.1572
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
51.03781	0.6
55.01894	1.1
57.03471	1.1
58.00587	1.3
59.01386	57.4
69.03478	0.8
71.01384	43.3
72.99347	0.7
73.02945	15.7
75.00890	1.0
76.21008	0.7
81.95530	0.8
83.01405	3.7
85.02950	8.0
87.00896	4.5
89.02443	51.0
89.03969	1.1
95.01379	1.2
95.05032	0.8
97.02964	4.1
99.00880	21.3
101.02448	20.1
102.90375	0.7
113.02464	9.9
115.04021	1.6
117.03480	4.8
119.03540	3.5
122.03658	0.8
123.08185	0.9
125.02430	8.4
131.03502	5.1
132.02187	17.2
133.02985	3.4
134.03748	75.6
135.04553	1.5
136.05350	1.4
138.06866	6.0
143.03554	1.5
147.04521	1.2
149.04593	11.9
149.06076	9.0
151.07681	4.3
152.08458	11.7
153.09204	14.9
154.39757	0.6
160.01672	100.0
161.04565	1.7
163.11354	3.2
166.62505	0.8
175.04018	96.1
176.04813	7.4
178.02795	7.0
190.09668	0.8
191.05609	5.8
191.07176	9.4
193.05083	62.7
205.12373	21.9
207.06636	1.7
217.05162	0.8
220.03741	0.9
223.13504	0.9
233.06662	7.9
235.06126	20.8
235.08505	0.9
265.07205	5.7
293.08884	4.4
295.08246	8.8
337.09360	4.5
355.10593	3.5
385.18607	1.1
517.15625	41.9
517.23059	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13619	0.1
59.01391	1.2
61.98838	100.0
64.98002	0.1
71.01387	0.8
73.02943	0.2
82.58241	0.1
85.02979	0.2
86.03316	0.1
93.03476	0.3
101.02431	0.3
105.03510	0.2
119.86690	0.2
135.04510	0.2
150.14484	0.2
173.04645	0.2
235.03580	0.2
252.16682	0.2
279.06595	0.4
307.05948	0.6
337.10800	0.3
455.23904	0.8
456.24097	0.8
468.60385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51056	0.8
57.50909	0.8
59.01397	99.2
62.85061	0.9
71.01350	0.8
78.95922	3.6
87.52785	0.9
96.96997	4.2
101.02485	1.2
105.31196	0.9
110.81080	0.8
119.80418	1.0
130.78043	0.9
132.98236	1.6
144.76442	1.1
156.99913	1.6
159.01584	1.1
168.74947	0.8
174.99263	36.5
189.31557	0.9
201.02583	21.1
202.02672	1.5
217.00339	100.0
343.03748	4.0
355.04428	1.5
359.01447	10.9
374.99289	41.5
417.41855	0.9
451.59888	0.9
517.11902	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	517.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.4
57.03463	7.2
59.01385	34.4
69.03480	3.4
71.01380	38.2
71.01709	1.7
72.99307	50.2
72.99687	2.5
73.02946	47.8
73.03290	2.6
75.00899	2.9
75.57671	1.7
78.95947	8.3
83.01402	6.8
85.02957	70.2
85.03457	3.0
87.00847	13.8
89.02463	11.5
95.00884	2.1
95.01414	12.1
96.96025	3.8
99.00873	12.9
101.02441	26.0
105.01953	1.8
113.02455	100.0
115.00422	8.3
119.03519	2.4
129.01987	10.2
131.03510	41.3
157.01463	15.8
165.04037	6.7
171.72815	1.7
175.02498	66.7
175.23949	1.7
179.05589	2.2
191.05600	29.2
206.95500	9.1
247.04639	1.9
265.05649	2.2
293.08737	2.5
325.07761	14.5
337.08069	2.5
456.81125	2.2
517.14203	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82932	0.2
59.01452	1.7
59.38113	0.2
60.23652	0.2
69.45750	0.2
72.46869	0.2
92.33610	0.2
125.88347	0.2
126.03355	0.2
128.92085	0.2
166.58994	0.2
191.63133	0.2
244.25494	0.2
256.65649	0.2
298.39685	0.3
407.33209	1.5
455.35400	100.0
456.35748	1.5
457.36124	1.3
515.31079	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	516.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
59.82488	0.3
60.23114	0.2
61.98839	100.0
63.64113	0.2
65.02495	0.3
71.01389	0.6
83.12903	0.3
84.64050	0.3
85.02969	0.4
89.02443	0.7
90.73670	0.3
92.09280	0.3
93.03465	0.8
96.96011	0.4
97.06599	1.4
98.06918	0.3
99.03973	0.3
101.02484	0.4
130.21193	0.4
135.04562	1.4
136.04834	0.6
162.83896	0.4
176.09830	0.3
179.03523	0.7
180.03874	0.5
191.05647	7.8
192.06023	2.5
211.69849	0.3
240.93982	0.3
354.09314	0.4
436.78201	0.4
438.15775	0.6
456.17374	0.3
516.15179	3.2
542.85388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95967	0.3
54.03890	0.3
59.01385	2.6
61.98840	100.0
71.01400	2.7
73.02969	0.5
85.02974	1.8
89.02438	2.4
93.03453	0.7
97.03040	0.3
101.02444	0.7
103.87062	0.3
109.02982	0.4
138.05565	0.3
145.02960	0.4
191.05653	3.9
192.05933	0.6
196.36984	0.4
251.06963	1.5
252.07463	1.7
279.06589	0.4
280.07156	0.6
293.08566	0.3
309.46423	0.3
323.05667	0.7
324.06009	3.7
349.89758	0.4
375.47675	0.4
376.95062	0.4
455.24335	0.6
456.24222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15710	0.2
54.82988	0.2
59.01389	1.3
61.98838	100.0
62.69106	0.2
66.26089	0.2
71.01389	1.0
73.02943	0.5
74.43918	0.2
81.72317	0.2
85.02975	0.8
89.02487	0.4
93.03480	0.3
101.02449	0.9
115.78138	0.2
153.93639	0.2
160.01762	0.2
191.05618	1.3
195.31375	0.2
251.06984	0.2
252.07442	0.9
276.64447	0.2
279.06506	0.3
324.05951	0.5
403.87378	0.2
455.24268	0.9
456.24258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
61.98843	1.0
65.89941	0.5
74.29254	0.6
81.05050	0.5
83.96410	0.6
85.77358	0.5
92.10168	0.6
135.24327	0.6
181.41296	0.5
202.17554	0.5
251.35602	0.6
277.21698	2.5
278.22061	2.1
279.22589	0.7
455.31537	1.0
469.33228	2.5
497.29230	0.9
515.34894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3379
Annotation	Lycernuic ketone B
Peak:m/z	Relative Intensity
51.12852	3.3
52.68740	2.7
58.95269	3.7
59.01390	65.5
67.01901	4.9
77.70166	4.0
81.03458	7.2
83.05032	29.7
85.02972	4.0
111.04506	7.7
117.99253	4.1
121.02934	9.7
178.06335	39.9
179.07065	5.1
334.08224	4.2
439.32309	92.5
451.32071	7.7
455.31601	6.2
469.33188	34.9
471.31180	7.1
473.20316	4.7
497.29092	21.4
515.33582	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	515.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01740	0.4
66.71574	0.3
82.53053	0.3
92.10788	0.6
132.16751	0.3
133.92928	0.3
152.99612	0.5
188.73141	0.3
223.25162	0.3
411.33276	0.4
423.32852	2.1
455.31494	12.4
469.33167	3.7
514.36450	0.4
515.29395	0.4
515.36639	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	515.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70573	0.2
57.97597	0.2
69.13454	0.2
71.80124	0.3
71.87746	0.2
163.58253	0.3
208.47429	0.2
455.35419	100.0
456.35556	2.1
457.35785	0.6
515.31207	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	515.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40842	0.3
55.08239	0.2
59.01370	0.3
70.34083	0.3
86.57378	0.3
92.10083	0.6
120.15476	0.2
133.66370	0.3
158.62556	0.3
162.83322	0.2
211.11096	0.3
216.63370	0.3
455.35410	100.0
456.35822	1.8
457.35986	1.7
515.31104	12.8
516.31689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.8
61.98842	1.9
68.80903	1.5
75.58813	1.4
83.05050	5.6
85.02943	1.9
99.02932	1.7
145.18073	2.0
183.72365	1.5
211.07710	2.2
225.09325	14.5
286.72754	1.9
321.18716	2.1
337.18216	10.2
452.24417	1.6
471.31348	15.4
481.26202	2.4
497.29160	100.0
515.29755	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	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67479	1.1
63.96250	100.0
64.97040	1.7
92.83494	1.3
97.90101	1.1
175.15329	1.4
177.09549	70.1
191.83583	1.3
254.41432	1.3
273.02625	1.6
312.21432	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	515.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76797	0.4
59.01386	100.0
65.38822	0.5
73.43297	0.5
75.00896	0.5
78.95904	2.2
83.85215	0.4
92.10744	1.1
111.19469	0.5
125.89902	0.6
127.46387	0.5
152.99564	4.6
327.78003	0.6
334.92480	0.5
391.29932	0.5
411.32568	0.7
455.31296	1.2
469.33237	1.8
540.40375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25439	0.3
58.30967	0.3
59.01387	100.0
61.98836	0.5
75.87496	0.3
82.95410	3.1
83.92799	0.4
90.98570	0.3
92.10818	0.8
103.43864	0.3
116.92822	0.5
146.00525	0.4
296.17676	0.4
335.15051	0.4
455.31219	0.5
469.33304	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	515.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05988	0.2
55.01893	0.4
57.03451	0.4
59.01385	1.8
61.98864	0.3
67.01884	0.3
69.03473	0.3
71.01382	0.2
80.96393	0.2
81.03467	1.5
83.05022	3.5
84.02169	4.9
85.02963	2.7
92.53346	0.2
93.03419	0.4
101.39114	0.2
108.20933	0.2
111.04500	2.3
113.06245	0.2
116.59856	0.2
121.02945	0.3
169.62244	0.3
171.08289	0.2
181.10228	1.5
197.09688	0.4
211.07597	2.0
212.08424	0.3
213.09267	1.9
225.09259	16.1
226.10004	2.5
293.19113	0.3
307.20596	0.3
319.17105	0.5
321.18668	4.2
325.21954	0.3
335.20438	0.3
337.18210	10.7
339.19797	0.3
353.21350	2.2
392.30429	0.3
441.34244	0.3
465.26431	3.7
467.24600	0.4
471.31039	0.6
481.26016	7.4
482.26785	0.5
497.29196	100.0
498.29669	1.5
515.30359	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02650	0.4
52.56721	0.4
52.59657	0.4
57.03452	0.5
59.01380	0.5
63.09307	0.4
67.01875	0.6
81.03445	1.2
83.05034	3.1
84.02177	0.7
85.02969	2.5
98.16453	0.5
105.11809	0.6
111.04523	0.7
127.09730	0.5
132.99557	0.5
144.25620	0.5
153.91875	0.5
181.10292	0.6
205.44939	0.6
211.07613	1.1
212.08534	0.6
213.09253	0.9
225.09236	13.6
226.10046	1.0
253.25285	0.5
321.18744	4.1
337.18097	9.0
339.19687	0.6
410.74240	0.5
465.27158	0.7
481.26083	6.8
497.29199	100.0
498.29050	1.0
499.95795	0.5
515.31812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3021
Annotation	Probucol
Peak:m/z	Relative Intensity
52.58390	5.2
58.29903	4.6
58.88067	5.1
59.01378	9.2
64.07186	4.5
92.10863	14.3
127.24308	4.7
150.33194	5.4
150.71016	5.6
497.29190	100.0
515.30090	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	515.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.4
63.24825	0.8
65.03967	1.3
67.01906	12.0
74.50494	0.7
81.03447	7.0
83.05042	15.4
84.02179	1.2
85.02977	3.5
93.03473	14.9
111.04529	5.4
121.02966	9.9
121.06586	1.4
122.03733	17.8
123.04489	5.3
149.09729	1.9
181.10297	0.9
211.07648	1.5
213.09196	1.2
225.09233	18.2
226.10020	1.4
321.18665	3.4
337.18134	7.8
353.21249	2.9
421.07614	0.8
437.57455	0.9
467.24152	1.5
469.29480	1.0
471.31528	1.3
481.26129	10.8
482.26987	1.2
487.30582	3.5
497.29187	100.0
515.30237	69.2
516.30658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10250	0.3
54.82658	0.3
57.03453	0.5
60.71212	0.3
67.01902	3.6
78.31660	0.3
81.03489	1.7
83.05032	5.1
85.02973	1.7
88.12965	0.4
92.65398	0.4
93.03464	0.4
111.04539	0.9
121.02915	0.4
125.83519	0.3
147.11929	0.4
167.17859	0.4
181.10242	1.9
184.53592	0.4
211.07674	1.9
212.08450	0.5
213.09245	2.0
225.09238	14.6
226.10028	2.0
293.19348	0.4
318.76370	0.4
321.18576	3.0
337.18118	10.2
353.21222	1.9
467.24429	0.4
481.25961	8.9
482.27066	0.5
495.27557	0.4
497.29172	100.0
498.29388	1.5
515.30011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88796	0.7
55.01889	1.5
57.03452	5.3
58.93459	0.6
59.01387	5.1
61.60748	0.7
65.03995	1.6
65.67105	0.7
67.01898	7.9
69.03472	5.3
71.05044	0.8
73.02940	1.8
81.03461	12.1
83.01405	4.4
83.05031	30.5
84.02176	7.5
85.02959	19.2
93.03458	4.4
97.02979	1.1
108.02211	3.5
109.02940	1.7
109.06596	1.0
111.04528	12.9
114.37893	0.9
119.08693	2.0
120.33387	0.9
128.78903	0.9
149.09683	1.4
163.40460	0.8
213.09167	0.9
225.09250	14.9
226.09915	1.0
252.82080	0.8
308.18176	0.9
321.18686	3.6
322.72037	0.9
325.21677	8.0
327.23325	1.9
337.18091	8.7
353.21082	1.0
371.22247	3.6
408.75040	1.0
439.28683	1.9
453.30273	3.6
471.31204	11.0
481.26218	6.8
497.29208	100.0
515.30225	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96937	0.2
55.01905	0.3
57.03473	0.4
59.01395	1.9
67.01897	3.4
71.05146	0.2
81.03465	1.6
83.05026	3.6
84.02174	0.6
85.02961	1.8
87.89037	0.3
91.09652	0.3
93.03440	0.4
109.02947	0.3
111.04526	1.4
141.07082	0.4
157.27783	0.3
164.39677	0.3
167.73106	0.3
181.10194	1.5
182.14972	0.3
211.07684	1.6
213.09303	2.9
225.09236	16.2
226.09915	2.1
248.30463	0.3
321.18671	3.5
325.21725	0.5
337.18115	10.8
337.21964	0.5
339.19415	0.4
353.21307	1.5
465.26984	0.4
467.24432	0.4
481.25992	8.6
497.29175	100.0
498.29190	0.7
515.30499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.5
67.01900	0.9
70.32610	0.4
81.03476	1.0
83.05056	4.3
84.02178	4.3
85.02978	2.9
85.25215	0.4
93.03474	2.3
101.06657	0.4
102.89193	0.4
109.02937	0.6
111.04511	3.1
121.02978	0.8
181.10219	2.0
211.07635	2.0
213.09224	1.0
225.09229	15.2
226.09944	2.0
277.90173	0.5
279.01874	0.5
321.18625	3.9
337.18155	9.3
353.21335	1.1
465.26517	5.0
481.25934	7.6
482.26840	0.7
497.29163	100.0
498.29550	1.8
515.30280	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	515.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40033	0.6
59.01392	4.2
61.98835	6.7
67.01907	1.0
71.01382	4.0
72.99304	0.9
73.02920	0.9
76.53938	0.8
79.95736	1.0
85.02960	4.0
87.00883	1.8
87.45576	0.9
89.02437	4.1
92.10095	2.5
93.03454	18.5
96.96019	6.0
99.00893	0.7
101.02397	1.3
108.02199	1.0
109.02960	17.0
111.04528	1.1
113.02443	1.1
121.02952	6.7
122.03744	12.8
133.02975	1.7
134.03732	13.0
135.04520	12.0
136.01656	27.7
137.02435	1.4
145.02980	7.5
149.02452	20.2
149.06078	5.4
150.03233	100.0
151.04034	17.6
161.02469	3.6
161.06055	5.4
164.04776	3.3
165.05571	74.1
173.04515	13.9
179.03571	6.5
180.04317	7.4
181.05121	0.9
185.05977	1.3
187.04019	4.9
191.05634	24.7
195.06636	31.9
212.04710	1.3
213.05614	11.3
223.04099	1.5
224.04865	1.0
237.05722	1.1
240.04335	1.5
241.05081	46.8
249.17688	0.8
253.05049	1.8
255.06680	3.2
256.07425	30.4
271.09784	54.2
279.03036	0.9
281.04477	4.6
297.07684	3.2
299.09253	3.9
302.58057	0.9
319.11908	4.5
323.05753	1.9
341.06662	8.6
382.92493	1.0
419.15036	1.2
467.17325	7.3
515.11847	19.4
515.18512	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	515.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.2
61.98851	7.5
71.01400	6.4
75.00901	7.1
85.02964	2.1
89.02430	2.1
89.36398	1.2
92.65502	1.2
93.03464	8.2
101.02479	1.5
103.37104	1.3
105.03472	1.8
109.02991	2.1
113.02523	1.2
119.05068	2.1
121.02943	18.7
122.03748	15.3
123.04563	1.7
133.02971	7.8
134.03745	60.4
135.04555	14.6
136.01662	55.6
137.02434	8.4
145.02980	1.1
149.02467	33.8
149.06090	18.0
150.03236	100.0
151.04022	48.6
152.04849	3.8
161.46146	1.2
164.04834	5.8
165.05569	70.9
173.04611	2.6
180.04401	4.4
185.06096	2.9
185.14400	1.2
191.05634	13.9
195.04781	2.3
195.06625	22.8
206.18448	1.3
212.04826	2.5
213.05583	21.1
223.04019	5.4
224.04875	4.9
225.05522	1.6
229.01129	1.5
235.04243	1.2
236.04872	1.6
239.07246	2.3
240.04333	4.9
241.05092	91.9
252.04349	5.4
253.05099	8.0
255.06638	2.4
256.07446	61.3
269.04688	5.0
271.09796	94.3
284.06958	5.2
285.07712	13.4
299.09265	15.3
319.11963	12.8
325.81577	1.2
467.17239	54.1
469.22626	1.3
515.11835	1.5
515.19128	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01883	0.9
54.82562	1.0
55.01921	1.1
57.03469	17.0
59.01394	76.5
59.52000	1.0
60.57976	0.9
60.99327	1.0
61.75818	0.9
63.03368	0.9
66.51454	1.3
71.01390	25.8
71.01723	1.4
71.05011	1.3
72.99340	1.9
73.02955	11.5
74.86804	1.0
83.01423	1.4
83.05061	1.4
85.02974	8.0
87.00886	1.6
89.02452	27.2
96.96026	5.7
98.86809	1.0
99.00907	1.7
101.02449	54.0
111.04549	1.3
112.98836	2.0
113.02475	12.0
114.38575	1.2
115.00375	1.4
116.92908	1.6
117.01956	7.2
119.03490	11.5
125.02499	1.5
129.05609	13.1
133.01418	1.2
135.04541	2.2
142.99829	2.2
143.03522	1.3
145.01459	43.0
145.05107	6.0
147.06664	4.2
149.04576	1.6
161.02493	2.2
161.04594	1.4
173.04517	1.9
179.03563	1.1
179.05635	1.1
191.05595	12.5
205.07121	1.3
215.00040	1.1
309.11972	100.0
316.66403	1.2
323.07727	2.1
341.10974	1.4
353.21719	1.1
354.91309	1.2
369.13980	1.1
410.26120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54443	1.1
54.37172	1.3
57.03472	1.6
59.01385	40.2
61.98841	6.3
67.01893	6.1
69.03460	8.6
70.39946	1.3
71.01382	40.0
72.99300	1.6
73.02950	8.5
81.03465	5.2
83.01403	1.5
83.05019	2.2
85.02946	17.1
87.00875	6.9
89.02437	38.4
93.03453	37.5
97.02933	7.9
97.58363	1.5
99.00909	5.7
101.02473	11.0
106.06662	2.7
109.02952	1.7
111.00890	1.5
111.04507	8.1
113.02436	2.2
115.03996	3.2
119.05022	1.8
125.02449	21.6
127.03997	2.1
131.03584	1.7
133.02963	7.9
134.03757	3.1
134.06129	39.1
134.09648	1.6
135.04526	87.6
136.07663	3.4
137.02431	8.6
138.05595	5.9
146.95540	1.5
149.04596	3.4
155.03432	2.1
161.02484	10.6
161.04738	2.5
161.06071	28.6
167.03510	1.4
173.04558	100.0
177.01950	14.1
178.05060	13.3
179.03506	73.0
191.05630	60.5
192.06575	7.0
195.70232	1.4
203.03589	1.8
220.06172	3.5
233.06705	14.0
293.08832	38.2
309.20511	2.3
340.10486	16.5
353.08838	76.9
396.34448	1.6
455.15695	13.5
515.12079	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24949	0.3
55.61391	0.4
59.01381	3.2
65.83680	0.4
67.01903	0.7
69.18633	0.5
71.01382	3.3
73.02950	1.0
81.03454	0.6
83.05057	0.9
85.02956	10.2
87.00894	2.9
89.02457	1.0
93.03455	6.2
99.00896	0.5
103.48550	0.4
109.02964	0.5
111.04538	1.8
113.02467	0.6
116.92855	3.5
117.03443	0.7
127.04026	2.2
127.29086	0.4
130.26418	0.4
132.02144	1.8
133.02977	7.6
135.04529	8.8
137.02431	0.5
143.06989	0.5
144.07724	0.5
160.01714	4.6
161.02463	50.3
163.05963	0.5
171.02974	0.7
173.04573	2.4
173.27736	0.5
179.03514	5.7
189.07755	1.8
190.07980	0.6
191.05637	100.0
212.95934	0.5
323.07788	30.4
341.08713	0.8
353.08835	2.0
455.21539	3.5
515.14130	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	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82177	0.7
59.01387	5.4
61.98841	26.8
62.88405	0.6
67.01902	5.1
71.01395	6.0
73.02967	1.2
76.91138	0.7
81.03487	0.9
83.05042	0.9
85.02967	9.3
87.00910	4.1
89.02454	1.7
89.44830	0.7
93.03468	19.1
99.04501	1.1
99.47682	0.7
101.02454	1.4
102.37100	0.7
111.04546	4.3
113.02495	1.3
117.99004	0.6
127.03963	2.2
133.02969	3.6
134.03773	1.5
135.04539	66.1
137.02480	3.6
139.63547	0.7
155.03487	1.5
161.02454	12.3
173.04552	32.3
179.03522	58.8
191.05646	100.0
220.87334	0.8
301.63611	0.8
323.07672	0.9
335.07645	0.8
341.08871	16.7
353.08603	8.3
395.09781	7.5
424.74503	0.8
455.21405	3.4
515.14124	33.1
515.21344	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	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22982	0.7
59.01382	8.1
61.98844	1.8
67.01910	4.1
69.23110	0.8
71.01384	6.4
71.58087	0.8
73.02969	3.8
84.54495	1.0
85.02962	7.1
87.00869	7.1
89.02461	5.5
93.03461	20.7
96.95064	1.0
96.96015	22.2
99.04520	0.9
101.02448	3.2
109.03011	1.2
111.04532	3.8
113.02432	1.6
119.05046	5.5
133.02962	7.0
134.10614	1.0
135.04546	22.1
137.02420	1.3
161.02455	56.4
163.04060	3.3
171.45622	1.0
173.04578	8.9
179.03468	18.0
190.70857	0.9
191.05640	100.0
192.05894	1.4
205.07376	1.1
232.70235	1.0
243.05902	0.9
304.94669	1.1
306.55258	0.8
327.13589	1.5
339.05200	3.5
345.14636	1.8
352.08060	1.4
353.09021	5.2
455.21793	6.2
469.23187	1.4
515.14105	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59105	0.4
58.00630	0.6
58.30206	0.5
59.01391	6.2
60.03388	0.5
60.99332	0.9
61.98847	1.3
63.44227	0.5
64.75571	0.5
71.01389	4.4
72.44243	0.5
73.02967	0.8
81.78285	0.5
82.83651	0.5
82.95441	1.0
83.05060	0.5
85.02958	13.0
85.03391	0.8
87.00909	3.6
88.98810	7.7
89.02461	0.9
93.03463	6.5
96.96031	1.4
99.04536	0.5
101.02457	2.5
104.13051	0.5
107.99420	0.5
109.02955	0.7
111.04547	1.4
113.02472	0.8
117.03474	1.2
127.04015	3.9
132.02193	1.0
133.02974	11.5
135.04509	5.0
152.58009	0.5
155.03535	0.9
160.01682	3.6
161.02455	50.5
171.03038	1.0
173.04559	2.1
179.03503	4.7
187.06320	0.6
189.05962	0.6
191.05640	100.0
192.99527	0.7
204.06705	1.1
323.07773	25.3
327.13580	2.2
333.68414	0.6
345.14587	2.4
353.08661	2.1
455.21582	2.5
513.10779	0.6
515.14087	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	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61786	0.5
55.94031	0.6
59.01386	3.7
60.99321	0.8
61.98841	1.6
67.01912	3.8
69.03487	0.6
71.01385	3.0
71.76253	0.6
74.29082	0.5
83.03346	0.6
85.02953	7.1
87.00906	5.2
89.02452	0.9
90.81828	0.7
93.03458	21.3
93.56677	0.6
96.96005	6.8
101.02404	0.7
111.04538	3.9
119.05015	0.8
127.03959	0.8
133.02975	1.5
135.03494	0.8
135.04523	22.8
155.03511	0.8
161.02440	16.2
163.03973	0.8
173.04575	4.6
179.03511	16.2
191.05632	100.0
192.97684	0.7
317.11359	0.7
353.08728	6.0
395.09869	1.5
455.21625	3.1
515.14105	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09664	1.1
50.87536	0.9
55.00132	1.0
55.01897	1.4
55.94571	1.0
56.00050	0.9
57.03465	2.3
57.73894	1.0
58.00568	1.1
59.01394	87.4
65.39197	1.1
71.01387	69.0
71.01781	2.3
72.99326	4.5
73.02964	6.7
75.00888	1.7
83.01395	6.7
85.02954	16.8
85.06585	1.6
87.00890	7.9
89.02445	69.5
93.03452	6.3
95.01405	1.5
99.00884	18.0
99.04572	1.4
101.02441	31.3
111.00869	11.2
111.04524	5.6
112.98058	2.3
112.98819	54.5
113.02459	22.8
115.00372	4.7
119.03501	25.0
124.98832	1.8
129.01901	4.8
131.03481	5.0
135.04533	6.9
142.99870	25.4
143.03494	6.1
145.01447	5.8
149.04613	1.3
161.02429	6.7
161.04553	5.3
173.00916	19.1
173.04555	15.2
175.02509	1.4
175.64598	1.3
179.03496	5.8
179.05606	24.8
191.05626	31.9
323.13510	1.9
341.10950	100.0
478.19135	1.2
485.21722	1.4
515.14154	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	515.1203
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
52.86298	0.8
57.66663	0.9
59.01390	1.9
62.29242	0.9
67.01913	4.2
71.01394	2.4
85.02946	3.9
86.34718	1.0
93.03455	25.8
96.93745	1.1
111.00919	1.4
111.04531	6.7
131.50713	0.9
134.03764	1.7
135.03479	2.3
135.04529	76.9
137.02458	5.1
155.03508	5.6
161.02458	5.5
173.04572	100.0
173.91489	1.0
179.03505	60.6
191.05649	40.4
203.03456	2.1
248.85049	1.0
353.08865	73.6
515.12097	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	515.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31037	0.1
52.90492	0.1
59.01394	1.2
61.98858	0.2
62.69471	0.2
67.01920	0.2
70.34747	0.2
71.01400	0.8
73.02963	0.2
81.03484	0.4
82.02934	0.2
85.02970	0.8
89.03976	3.6
89.97414	0.2
92.10162	0.4
92.48370	0.2
93.03475	2.3
95.05037	0.3
99.00883	0.2
101.02457	0.3
105.03464	5.5
111.04560	0.2
111.94910	0.2
120.99622	0.2
121.02965	0.3
133.02969	12.5
134.03748	0.8
135.04538	4.6
137.02487	0.3
145.10580	0.2
149.02518	1.5
149.63492	0.2
155.03601	0.2
160.01703	0.4
161.02490	0.7
173.04573	4.9
175.04024	0.3
177.01952	100.0
179.03494	4.2
191.05664	3.8
192.49431	0.2
193.04953	0.3
263.21219	0.2
289.09631	0.2
343.38864	0.2
353.08844	3.3
357.70575	0.2
361.09912	0.2
508.73480	0.2
515.11719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29312	0.5
61.98837	100.0
79.31847	0.6
92.10710	0.9
102.13229	0.6
187.70770	0.6
246.48212	0.6
316.53543	0.7
410.98099	0.8
455.35294	3.5
456.35583	6.0
514.31274	7.8
515.31616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78914	1.0
57.31888	1.1
59.01386	6.3
60.99315	1.0
61.98834	6.1
62.23126	1.0
64.44746	1.0
67.01894	5.9
71.01376	3.1
73.72202	1.2
79.93640	1.2
83.05070	1.2
85.02943	9.0
87.00877	7.3
92.10116	5.2
93.03461	40.8
96.96017	2.4
101.02435	2.0
108.02242	1.6
109.02957	42.8
111.04536	8.2
121.02974	8.8
122.03764	15.2
125.02418	1.2
133.02948	2.7
134.03732	11.6
135.04533	20.1
136.01674	26.5
137.02481	4.5
145.02974	18.6
149.02460	19.6
149.06049	4.9
150.03242	100.0
151.04021	21.2
159.04489	2.1
161.02429	8.6
161.06064	12.1
164.04770	1.6
165.05579	76.2
173.04538	16.4
179.03479	12.5
180.04265	4.8
185.05994	2.1
187.04048	14.7
191.05638	74.1
195.04747	2.0
195.06653	33.1
213.02005	4.8
213.05515	9.7
214.02841	1.3
223.04007	2.6
237.05672	1.5
239.03404	2.8
240.04327	1.5
241.05121	47.6
252.04594	1.6
253.05075	5.4
255.06786	2.7
256.07434	31.4
271.09781	47.7
279.02982	2.4
281.04611	13.8
297.07834	8.1
299.09357	2.5
319.11835	2.2
323.05817	10.4
341.06763	16.6
419.15503	1.7
467.17111	6.5
494.19324	1.6
515.12061	61.8
515.18207	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	514.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36005	0.1
52.34441	0.1
59.01391	1.4
61.98838	100.0
68.75994	0.1
71.01384	0.8
73.02963	0.3
76.56853	0.2
85.02972	0.2
89.02444	0.8
92.10780	0.3
99.00890	0.2
101.02440	0.3
102.36745	0.1
113.02450	0.2
114.43135	0.2
130.14322	0.1
204.85364	0.1
453.33344	0.6
454.17203	0.7
454.23819	0.6
454.33682	0.6
514.32520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3594
Annotation	Rubiarbonone A
Peak:m/z	Relative Intensity
58.79065	0.8
59.01390	15.4
59.37598	0.7
60.77529	0.9
78.23334	0.9
124.02699	0.9
137.83130	0.9
167.64513	0.8
167.84276	0.8
201.83508	0.8
244.74054	0.9
423.33075	1.7
449.34415	1.8
453.33569	1.1
483.34900	91.9
484.35446	1.8
495.34836	13.1
513.35968	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	514.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.74863	0.2
61.98832	100.0
71.01379	0.3
75.92214	0.2
76.57235	0.2
77.15370	0.2
77.89100	0.2
79.35529	0.2
89.02438	0.4
96.95984	0.5
97.41136	0.2
108.72884	0.3
156.35365	0.2
167.05193	0.3
181.70493	0.2
183.69061	0.3
184.36734	0.3
186.69667	0.3
191.05638	0.6
307.54572	0.3
454.19052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
59.01396	1.4
61.98848	100.0
67.01557	0.2
67.01891	0.3
71.01394	1.2
73.02960	0.2
82.48027	0.2
89.02455	1.1
96.16159	0.2
101.02445	0.6
113.02454	0.3
135.04543	1.6
173.04620	0.5
179.03510	1.7
191.05669	2.0
290.12903	0.4
342.05356	0.2
453.18515	0.4
454.19162	1.7
514.18695	0.4
515.14331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78077	0.2
59.01384	2.0
61.98833	100.0
69.66623	0.2
71.01360	1.8
73.02926	0.3
73.56927	0.2
75.55271	0.2
82.21326	0.3
85.02941	0.5
89.02451	1.0
90.07986	0.2
92.10094	0.7
93.03449	0.4
95.01385	0.3
96.96014	1.3
99.00940	0.4
101.02454	0.5
113.02462	0.3
133.03018	0.3
135.04575	0.3
147.74072	0.2
161.02434	0.4
186.71407	0.2
191.05641	2.5
251.56763	0.2
290.12909	0.3
453.18997	0.4
454.19299	1.7
515.14124	0.4
524.91052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36515	1.5
58.41467	1.7
59.01388	100.0
59.97786	1.6
61.69149	1.7
64.17907	1.8
70.62057	1.5
76.58963	1.7
92.67127	2.1
98.62522	1.8
125.35191	1.9
137.62466	2.2
381.32736	2.3
432.09473	2.0
453.34296	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	513.359
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
59.01394	53.1
88.31581	0.7
92.10120	1.4
97.06612	1.4
111.38393	0.6
123.50159	0.7
165.65916	0.7
210.66383	0.6
212.62131	0.7
282.45450	0.7
391.30069	2.5
407.33255	1.1
453.33832	73.4
513.35931	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	513.3592
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
58.60470	0.7
59.01387	55.3
62.60471	0.8
62.66618	0.8
67.27263	0.8
73.29176	0.7
85.02964	13.7
85.52155	0.8
97.06587	1.4
105.69328	0.8
118.02914	0.9
152.66603	0.8
161.06091	1.9
169.91783	0.8
175.07738	0.8
290.65753	0.9
333.18674	1.2
391.29953	2.1
407.56165	0.8
441.33807	21.7
447.96829	1.0
453.33820	83.6
471.34766	16.7
475.34052	1.1
513.28668	11.0
513.35846	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	513.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.67233	0.2
59.01385	8.2
65.55875	0.2
70.36742	0.2
71.01379	4.6
72.99311	0.3
73.02955	1.2
74.20547	0.2
74.57133	0.2
83.01413	0.9
85.02967	1.2
87.00872	0.4
89.02438	3.9
92.10883	0.5
92.65171	0.2
94.67879	0.2
97.02974	0.3
101.02443	4.4
101.87596	0.2
113.02430	1.9
113.06104	0.3
119.03509	1.1
126.47353	0.2
143.03461	0.8
161.04575	1.3
179.05510	0.3
196.98636	0.2
235.08255	1.1
237.66191	0.3
253.09322	10.4
277.21750	100.0
278.22061	1.2
358.07236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.4
62.48574	0.3
71.01381	4.3
73.02958	0.7
85.02967	0.7
87.00889	0.4
89.02451	3.5
92.10104	0.7
94.93882	0.3
101.02459	3.7
113.02463	1.7
119.03493	0.5
124.73740	0.4
155.10808	0.3
161.04596	0.7
171.10353	0.4
235.08301	1.4
253.09329	10.5
259.20667	0.4
277.21765	100.0
278.22089	0.7
513.35266	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	513.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10615	0.5
55.55718	0.5
64.35097	0.5
73.83136	0.5
83.79819	0.5
87.27310	0.5
94.07160	0.5
117.59737	0.5
131.99271	0.6
283.19962	0.6
335.31049	0.6
384.07343	0.6
453.33826	4.8
455.35397	84.7
456.35532	7.0
475.11441	0.6
513.31250	100.0
514.31543	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	513.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10615	0.5
55.55718	0.5
64.35097	0.5
73.83136	0.5
83.79819	0.5
87.27310	0.5
94.07160	0.5
117.59737	0.5
131.99271	0.6
283.19962	0.6
335.31049	0.6
384.07343	0.6
453.33826	4.8
455.35397	84.7
456.35532	7.0
475.11441	0.6
513.31250	100.0
514.31543	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	513.2866
Annotation	fijianolide A
Peak:m/z	Relative Intensity
53.48179	0.8
54.44226	0.6
55.01894	5.2
57.03447	25.6
59.01382	6.8
63.56603	0.6
66.47813	0.8
68.99843	0.9
71.01398	4.8
73.02962	1.0
79.95736	0.8
83.01393	6.6
84.02166	7.4
85.02961	100.0
87.65140	0.8
90.05548	0.7
96.41815	0.7
96.96018	12.3
101.02480	4.0
113.02475	0.9
117.07108	7.6
131.08678	1.1
138.71208	0.9
147.08154	1.4
160.05241	1.6
161.06094	24.2
175.07664	9.9
193.41147	0.8
211.86780	1.0
225.26787	0.8
239.10811	1.1
241.00333	0.9
269.11844	0.8
292.17035	0.8
305.18845	0.9
329.74942	0.9
333.18814	3.2
351.19757	15.8
369.20834	0.9
441.65067	1.0
452.21899	0.7
483.22617	1.7
483.72791	1.7
495.27731	3.8
513.28699	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99495	0.8
56.24699	0.8
58.80347	0.8
59.01398	1.0
67.01886	1.4
75.23219	0.9
76.99114	1.1
81.03436	1.4
83.05044	4.4
84.02177	2.1
85.02959	21.3
93.03465	1.5
97.04421	1.0
111.04519	1.7
117.55722	0.9
119.05016	1.7
121.02980	6.9
123.04533	4.1
128.89375	0.9
138.59892	0.9
142.61436	0.9
149.19116	1.0
222.77716	1.2
307.20874	2.1
323.20242	3.6
351.19684	2.4
451.28543	1.3
479.24606	2.3
493.25876	1.8
495.27515	20.9
513.28656	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	513.2865
Annotation	fijianolide A
Peak:m/z	Relative Intensity
50.36395	1.0
51.05643	0.9
52.19942	0.9
57.03429	11.5
59.01383	14.0
70.40455	1.1
78.26394	1.1
80.53423	1.4
83.05037	2.7
85.02952	23.5
111.04478	1.3
120.80566	1.1
165.12863	5.5
242.67142	2.1
291.19736	20.0
351.19882	13.7
362.06699	1.4
367.29782	1.3
369.26151	1.3
416.47623	1.6
471.07919	1.5
495.27762	10.5
509.83865	1.5
513.28680	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	513.2865
Annotation	fijianolide A
Peak:m/z	Relative Intensity
55.01902	0.8
57.03428	11.1
59.01397	20.6
66.37511	0.8
67.01907	0.9
68.60658	0.8
71.01424	0.9
73.02930	1.0
73.74430	0.7
74.39133	0.9
81.03471	1.5
83.01411	1.1
83.05045	5.1
84.02164	1.8
85.02962	24.6
86.17154	0.9
92.10111	2.3
104.02952	0.8
111.04508	1.5
119.05062	1.5
121.02943	5.7
123.04539	1.8
134.76996	0.8
165.12866	6.8
247.20688	1.4
291.19714	20.9
307.20749	1.5
323.20209	1.4
351.19766	12.0
451.29288	1.3
469.29739	1.9
495.27643	15.6
513.28644	100.0
514.29401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2865
Annotation	Ganoderic acid V1
Peak:m/z	Relative Intensity
55.01884	0.6
55.41462	0.3
57.03450	3.4
59.01379	0.9
60.01116	0.4
67.01897	0.8
69.03460	0.6
71.01394	0.8
73.02956	0.7
81.03478	3.4
83.01380	0.8
83.05030	6.3
84.02164	3.4
85.02962	13.4
93.03465	1.7
96.96002	0.6
108.02171	2.0
109.02969	0.6
111.04536	2.4
121.02962	0.7
123.04466	0.5
263.00763	0.4
263.10831	1.5
265.02441	0.4
279.14081	0.5
307.20618	0.6
317.15433	3.4
319.17001	1.6
323.20105	0.8
333.18930	3.1
335.16577	2.1
351.19608	1.7
366.92709	0.4
389.23383	1.5
423.25690	0.6
451.24634	3.8
465.22113	0.4
467.28296	4.2
479.24503	26.3
480.25137	4.2
495.27649	100.0
496.28128	2.3
501.80057	0.5
513.28619	2.6
531.47150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05124	0.9
50.80355	0.8
55.01893	6.0
57.03175	1.2
57.03446	29.3
59.01384	1.0
59.60585	0.8
67.01900	1.1
71.01399	1.4
83.01387	4.7
84.02164	10.8
85.02953	100.0
92.10028	0.8
101.89690	0.9
103.37003	0.9
117.07104	9.7
119.18437	0.9
131.08769	0.9
131.59045	0.9
147.08177	1.8
147.70462	1.0
160.05261	2.3
161.06097	26.2
175.07664	10.7
216.05885	0.9
239.10858	1.9
256.33942	1.0
305.19138	1.1
307.95044	1.0
333.18622	6.6
351.19730	22.6
362.99268	0.9
369.20822	2.0
398.82532	1.0
431.84866	1.0
467.27319	1.3
481.26410	1.2
495.27374	7.2
513.28632	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2858
Annotation	Ganoderic acid V1
Peak:m/z	Relative Intensity
51.69570	0.4
52.72918	0.3
55.01884	0.8
55.73631	0.4
57.03451	3.9
57.49720	0.4
59.01394	0.4
62.87560	0.4
67.01910	1.8
68.65804	0.4
69.03471	0.4
71.01396	0.5
77.61291	0.4
81.03478	2.3
83.01387	0.5
83.05022	5.5
84.02190	3.3
85.02956	16.5
93.03466	2.6
111.04536	2.0
121.02943	1.0
123.04579	0.7
135.43230	0.5
149.93027	0.4
195.11836	0.5
211.11368	0.8
219.11722	1.8
225.09302	3.2
239.10611	0.7
263.10818	14.7
291.17609	0.8
303.13879	0.9
305.19025	0.7
318.16248	0.6
319.13684	0.8
319.17111	9.5
333.18619	0.7
335.16605	17.4
351.19690	0.8
386.03192	0.5
415.17349	0.5
451.24994	1.9
452.25763	0.6
463.25137	0.9
465.23059	2.8
467.28040	4.2
479.24542	5.6
480.25247	41.9
481.24661	0.7
493.26038	2.4
495.27643	100.0
496.27875	2.5
513.28595	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	513.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14525	0.2
54.82592	0.2
55.01892	1.3
57.03167	1.3
57.03421	11.2
59.01391	1.5
67.01892	2.2
68.99828	0.3
69.03461	0.6
71.01369	0.4
71.05013	0.3
72.99298	0.3
73.50362	0.2
81.03458	3.4
83.01411	1.0
83.05035	7.3
84.02169	9.1
85.02959	21.7
85.08898	0.2
87.52637	0.2
93.03451	2.1
95.05022	0.9
105.07117	0.6
107.05033	0.6
107.43015	0.2
107.88521	0.3
108.02190	0.4
109.02967	0.6
111.04504	2.5
112.86097	0.2
119.05011	3.1
121.02970	7.2
122.03751	0.6
123.04539	4.6
128.04807	0.3
133.06613	0.3
135.04523	0.6
136.05382	0.3
137.93108	0.2
149.06116	0.3
171.23390	0.3
194.18195	0.2
211.25516	0.3
219.13861	0.3
233.15515	0.3
240.11160	0.3
247.16978	0.3
259.42819	0.2
267.24545	0.3
289.19617	0.4
303.17471	0.3
305.19208	1.0
307.20709	2.1
313.23874	1.1
317.15460	0.4
323.20258	3.0
325.21820	1.2
331.25012	0.6
333.18585	3.7
335.16684	0.3
341.21170	0.4
351.19702	5.8
362.22067	0.3
384.02414	0.3
393.24054	0.3
411.21136	0.3
419.25894	1.1
451.28812	0.6
467.28348	0.9
469.29614	1.5
479.24640	2.7
485.29019	2.0
493.26099	2.5
495.27600	26.7
513.28613	100.0
514.29059	1.8
520.02173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48391	0.3
52.89874	0.3
53.00329	0.2
55.01660	0.4
55.01889	6.3
55.22692	0.3
57.03186	0.9
57.03447	26.4
59.01371	0.7
60.15539	0.3
67.01890	0.8
68.99826	1.9
71.01369	0.7
81.03457	0.6
83.01396	4.9
83.05034	1.5
84.02172	9.0
85.02953	100.0
87.93394	0.3
91.05502	0.4
93.03434	0.4
107.84118	0.3
111.04517	0.7
117.07114	8.1
117.60938	0.3
121.02964	0.6
124.91846	0.3
129.05547	0.4
129.07118	0.4
131.08633	1.7
133.06625	0.9
147.08194	3.1
160.05339	2.4
161.06094	26.2
175.06239	0.5
175.07657	10.6
180.26010	0.3
239.10730	1.5
269.11890	0.7
297.14883	0.4
305.19055	1.3
325.21829	0.4
333.18634	3.8
351.19751	14.3
361.25385	0.3
369.20715	1.1
385.76425	0.3
467.28369	1.1
469.29486	0.6
469.64191	0.3
479.24332	0.4
480.25275	0.6
495.27637	6.2
513.28656	67.2
514.29053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.8
57.03457	3.6
58.00594	0.5
59.01388	29.4
61.98848	1.1
65.73624	0.2
66.58598	0.2
68.99821	0.2
69.03473	1.0
71.01385	38.9
72.99303	2.1
73.02951	21.3
75.00891	1.4
81.03471	1.1
83.01397	10.9
85.02962	22.7
86.00114	1.2
87.00885	2.4
88.32763	0.2
89.02452	9.1
95.01385	3.1
97.02951	2.5
99.00890	9.5
99.04576	0.2
99.81047	0.2
101.02453	43.2
106.10686	0.2
106.47707	0.2
111.00898	2.8
113.02467	16.1
115.04015	1.8
116.43050	0.2
116.92880	0.3
119.03531	0.5
125.02454	2.7
126.08097	0.2
129.01933	1.4
131.03487	1.7
141.01962	0.4
143.03491	1.9
143.19740	0.2
147.85686	0.3
149.04561	0.3
152.01196	0.3
157.12320	1.0
159.02975	3.5
159.13948	1.2
161.02458	0.6
161.04588	9.7
171.13863	0.3
183.10222	0.2
191.05617	1.4
233.06662	1.3
251.07365	0.3
263.05353	0.2
293.08902	0.3
318.64664	0.2
321.19238	26.0
335.76056	0.3
453.23505	100.0
454.23853	2.2
477.13876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26793	0.6
54.73982	0.5
55.01886	1.0
57.03424	8.8
59.01388	76.9
62.98144	0.6
63.19381	0.6
71.01389	3.9
74.42821	0.6
81.03449	1.1
83.01403	1.4
83.05039	3.5
84.02174	3.9
85.02953	20.6
85.30628	0.6
89.02440	1.1
93.03457	1.0
95.83531	0.6
101.02444	2.8
109.41913	0.6
109.90919	0.7
111.04552	1.0
113.02435	4.6
119.03532	1.0
119.05076	0.8
121.02968	4.1
122.03654	0.8
123.04512	3.4
155.48619	0.7
161.04630	1.0
163.11331	0.8
165.11549	1.0
165.12849	19.7
176.12132	0.7
247.20699	9.8
273.18719	6.6
291.19705	100.0
292.20386	0.7
305.21252	2.7
307.20871	1.0
323.20261	1.1
333.20770	4.4
351.19525	3.6
451.29037	1.1
479.24142	0.9
485.28836	0.8
493.25943	1.2
495.27640	17.3
513.28644	78.4
514.29395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38546	0.1
59.01381	0.4
75.56902	0.1
78.95908	4.6
79.95731	1.6
89.02463	0.2
89.68093	0.2
96.96017	100.0
96.96910	6.9
177.89909	0.2
191.05621	1.1
224.31743	0.2
268.60745	0.2
279.02936	0.2
321.04190	0.4
367.18744	0.2
392.49216	0.2
482.32135	0.2
482.89908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13340	0.5
51.03365	0.5
58.00567	0.5
59.01382	13.4
60.70952	0.6
70.62670	0.6
71.01373	9.4
71.14838	0.7
73.02948	2.5
75.00875	0.7
85.02934	0.8
87.00894	1.0
89.02441	9.5
96.96032	3.4
97.06596	3.5
99.00903	2.5
101.02419	4.8
109.06596	2.4
111.08172	1.1
113.02444	2.8
117.01848	0.6
123.08193	1.1
125.06088	3.5
127.07649	39.7
137.02493	0.7
139.07680	2.5
143.07140	19.9
145.08675	0.6
149.04578	2.2
158.93901	0.7
167.07169	1.2
168.83282	0.6
169.08591	0.8
171.06642	9.8
187.02164	0.6
187.79239	0.7
189.07712	100.0
191.05646	2.6
203.09377	1.5
213.07748	9.1
222.39955	0.6
231.08768	28.8
236.96143	0.7
261.09802	1.3
291.10919	14.5
351.08881	1.3
351.13028	27.0
412.86743	0.8
453.19800	2.7
513.18353	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21093	0.9
57.03455	1.7
59.01392	22.1
61.98838	16.5
67.01916	1.2
68.99805	5.9
69.03455	1.4
71.01386	14.3
72.99318	2.3
73.02950	6.8
75.00894	2.2
76.21091	1.0
83.01394	4.6
85.02966	14.0
87.00884	5.3
88.98801	1.3
89.02425	8.7
93.03483	2.1
95.01410	1.3
96.96046	9.2
97.02928	1.8
97.70706	1.2
99.00878	13.1
101.02484	7.9
109.02940	2.2
111.00894	3.9
113.02467	15.2
113.99596	35.5
115.00381	14.0
117.03423	1.8
127.00359	4.5
129.01904	7.5
134.03752	36.9
135.04492	6.0
149.04608	1.4
149.06046	7.3
157.01424	8.0
161.06084	1.7
169.01434	2.3
173.04622	1.4
174.01704	26.1
175.02473	2.8
175.03957	2.4
183.10089	1.8
189.05623	1.7
191.03830	1.6
191.05582	11.7
193.05064	15.1
207.06723	2.0
277.05664	50.6
318.03046	1.2
337.07819	82.6
341.10013	1.1
356.07190	1.5
433.66785	1.2
453.10495	4.2
453.18689	2.6
461.30011	1.2
513.12402	100.0
514.12738	2.1
532.96173	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	512.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98272	0.2
55.01870	0.3
57.03459	0.4
59.01384	5.2
61.98832	8.1
61.99669	0.3
64.20476	0.2
67.01897	0.3
69.03450	0.3
71.01391	3.9
73.02954	1.3
85.02954	10.7
86.46615	0.3
87.00869	2.2
89.02467	1.4
93.03452	3.6
96.95990	0.4
99.00902	0.5
99.04488	0.4
101.02418	2.1
106.06621	0.4
109.02966	1.8
111.04537	1.5
113.02467	1.3
116.05016	0.3
119.05074	0.3
127.03999	2.3
131.03586	0.3
133.02988	1.3
135.04582	0.4
145.02934	0.4
149.04568	0.5
150.03235	0.4
151.00391	0.3
160.04056	11.1
161.02451	0.5
161.04559	1.3
172.05313	1.3
173.04610	1.7
179.03474	0.4
183.04449	0.4
187.07678	11.6
188.31117	0.3
191.05638	100.0
192.05980	0.7
199.04062	1.2
200.04799	0.5
203.08284	0.3
213.09229	1.5
215.07104	2.1
227.03600	1.4
228.04370	1.5
229.08678	0.6
257.08224	11.2
275.09418	0.5
366.08267	1.5
449.14938	5.2
449.24167	0.6
451.21979	1.8
452.22250	3.2
463.82602	0.3
512.11969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58679	46.4
54.89539	43.6
64.34455	46.4
74.87200	58.6
119.73485	57.6
149.92030	52.9
197.74075	51.9
249.32065	46.1
511.29300	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	511.3567
Annotation	Neurosporaxanthin methyl ester
Peak:m/z	Relative Intensity
59.01390	74.3
69.02897	35.4
69.03508	36.5
92.10117	78.2
105.41677	44.1
262.45792	44.5
288.85587	42.3
434.57489	44.9
511.34976	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	511.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98855	27.8
71.68923	21.8
161.02438	100.0
222.10942	25.4
490.83630	34.7
511.33163	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.6
61.98835	12.4
121.37140	11.0
122.92693	11.5
125.17030	12.8
153.41505	13.8
272.38116	14.1
473.36533	100.0
475.36572	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	511.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82664	2.0
56.95266	1.8
58.02971	2.4
58.56142	2.3
59.01387	100.0
66.07613	1.8
82.44621	2.2
113.30450	1.8
130.20079	2.0
146.44649	2.1
162.67607	1.9
170.11877	42.5
192.43651	2.1
280.26553	15.2
283.26273	2.2
285.20364	2.2
351.27884	2.3
499.51297	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01426	7.8
61.98840	14.2
63.35161	6.9
80.56832	5.4
136.87416	6.0
140.27888	5.6
158.53220	6.1
174.45308	6.1
183.10239	76.8
263.44830	7.8
275.20251	38.1
291.23373	13.5
310.74185	6.6
475.34607	100.0
511.30582	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	511.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82696	0.2
59.01393	56.7
67.15285	0.2
75.11611	0.2
79.90440	0.2
80.05048	0.3
81.03454	4.6
83.05034	20.0
107.06163	0.3
108.04552	0.4
125.07233	2.1
143.08295	1.6
146.98433	0.3
207.15038	2.5
224.17693	3.8
224.62000	0.3
225.16104	12.8
242.18744	1.2
268.16821	0.3
309.22073	0.4
324.26575	1.7
333.23019	3.5
345.77158	0.3
351.23978	1.2
367.27289	1.4
433.31924	8.0
451.32971	100.0
452.33380	1.4
511.35013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63560	1.1
58.28428	1.1
59.01394	2.1
61.98835	1.9
72.99306	100.0
92.10818	2.9
108.06953	1.1
124.70268	1.1
178.66748	1.2
202.85579	1.2
305.85260	1.5
359.29639	2.5
383.29398	1.8
387.29092	23.3
431.31931	12.4
473.32559	1.7
475.30487	34.9
511.28012	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	511.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14263	0.1
55.01894	1.0
56.67570	0.2
57.03462	0.9
59.01387	2.4
61.98833	0.4
65.03986	0.2
69.03461	1.8
71.01390	2.9
71.05035	0.3
72.99329	0.9
73.02943	2.1
73.65200	0.2
75.00885	0.3
78.04006	0.2
81.03461	5.4
83.01408	1.6
83.05033	2.6
85.02957	8.6
86.00119	1.0
87.00921	0.7
87.04536	0.2
88.01672	2.2
89.02455	0.4
93.03484	0.2
95.05042	1.2
97.06590	2.8
99.00893	1.0
99.04521	2.9
101.02445	1.4
101.06104	0.2
103.04017	1.0
108.02223	0.8
109.02962	3.6
109.06599	0.7
113.02496	0.2
126.03244	0.4
127.04028	3.4
191.05638	0.3
200.02089	0.2
253.69254	0.2
271.20764	0.8
287.20007	0.4
289.21774	1.8
305.21320	0.4
307.22845	6.5
333.20905	0.4
351.21936	0.3
400.21304	0.2
511.29236	100.0
512.29620	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	511.2713
Annotation	Kadcoccilactone D
Peak:m/z	Relative Intensity
57.03455	15.6
58.04519	6.6
59.01397	8.1
59.73278	6.8
66.72581	5.9
67.01892	13.0
69.03461	8.8
75.11114	6.5
81.03471	34.2
83.05036	44.2
84.02166	61.2
84.30622	7.4
85.02964	56.4
91.92709	6.3
98.82998	6.9
105.23368	7.8
107.27391	7.2
111.04523	28.0
124.06625	8.1
143.68549	7.2
167.15408	8.1
190.03651	7.5
209.08075	7.0
391.22833	17.4
398.00565	6.9
420.23093	64.2
429.33862	9.1
435.25592	36.0
451.24954	17.7
452.25620	32.2
467.28348	57.4
473.32828	100.0
475.33990	10.8
483.27637	49.6
511.26776	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2708
Annotation	Kadcoccilactone D
Peak:m/z	Relative Intensity
55.01889	4.9
57.03458	17.3
59.01382	1.3
63.90397	0.9
64.06925	0.9
65.03973	2.2
67.01894	15.6
69.03468	5.1
71.01402	1.4
73.02943	4.2
75.27258	0.8
81.03459	20.6
83.01388	1.8
83.04597	0.9
83.05030	44.1
84.02168	18.5
85.02953	45.8
91.53946	0.8
93.03447	4.6
109.06587	1.0
111.04529	15.5
129.41016	0.9
235.11339	2.3
251.14357	2.2
257.36142	1.1
289.16055	10.5
291.92023	0.9
293.14874	1.0
293.19147	1.3
303.17563	1.0
305.19135	8.0
307.17093	6.4
323.20230	12.8
391.22772	4.2
420.22922	2.0
435.25793	1.6
439.28870	3.8
439.87399	1.0
451.19104	1.9
451.25003	41.3
451.31348	1.3
452.25784	67.4
465.26733	1.3
466.47177	0.9
467.28110	100.0
483.27615	42.3
510.22977	1.0
511.27084	54.9
517.97900	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	511.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
59.01387	51.1
59.01658	3.1
61.98845	4.5
70.82025	1.7
71.01382	50.9
72.99328	2.3
73.02949	16.1
74.03328	2.2
75.00895	2.4
75.14385	1.9
83.01468	2.2
85.02955	23.0
87.00873	3.9
89.02448	41.9
93.03471	2.8
96.95988	2.6
97.02964	2.5
99.00899	19.3
101.02441	36.5
102.98618	2.5
105.03484	4.5
113.02454	15.4
125.02471	3.2
125.03551	2.4
131.03508	4.3
133.02950	25.4
134.81448	2.0
135.04507	3.6
136.34589	1.8
137.02481	3.2
141.35275	2.0
143.03479	3.2
149.04553	13.6
151.05962	2.1
158.32968	2.0
160.04068	17.5
161.02452	2.4
161.04570	12.2
165.06674	2.4
168.14052	2.2
173.04507	2.2
177.01942	4.3
187.07652	5.3
191.05629	100.0
225.05217	2.6
253.04712	3.4
257.08307	4.7
261.47772	2.3
280.03665	2.3
311.40610	2.6
317.88095	2.1
319.17633	10.9
451.21906	80.4
511.17755	3.5
511.27737	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2681
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
59.39017	2.3
61.98848	3.3
64.99591	2.8
74.30657	2.8
99.88839	2.6
105.03483	3.7
132.02228	6.0
133.02982	47.3
134.03804	3.3
147.04514	5.6
160.01669	40.7
161.02486	5.9
161.06067	3.6
166.86890	2.8
175.04018	24.4
177.01965	12.4
200.01073	3.2
208.03239	3.0
331.15369	5.6
349.04678	3.5
401.23306	4.5
456.43170	2.9
496.24545	51.6
511.26871	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	511.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47593	0.6
53.51919	0.7
55.01896	1.3
57.03455	1.6
58.00613	0.7
59.01385	41.4
71.01381	40.5
71.01772	1.4
72.92041	0.9
73.02948	14.6
82.92145	0.8
83.01406	5.2
85.02957	16.2
87.00869	1.3
89.02446	31.8
95.01399	1.3
97.02944	3.3
97.06615	1.4
99.00887	14.0
101.02446	27.7
113.02452	13.6
115.04007	3.9
119.03487	6.1
123.75086	0.9
125.02514	2.8
129.01923	1.1
131.03503	3.5
139.07675	2.0
143.03511	1.3
149.04520	2.9
161.04596	7.5
177.98399	0.9
191.05693	3.6
233.06590	1.2
293.08643	1.0
319.14035	20.2
451.18295	100.0
511.20493	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	511.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70488	0.8
52.59028	0.7
55.01884	1.3
57.03450	1.3
59.01385	41.3
68.47746	0.7
70.05054	0.7
71.01379	32.0
73.02958	12.9
75.00876	1.0
76.58231	0.9
83.01395	4.5
85.02953	10.9
87.00859	1.9
88.98817	5.0
89.02441	39.2
95.01388	1.4
96.96001	1.5
97.02938	1.1
99.00878	8.9
99.85423	0.8
101.02444	28.7
113.02464	13.5
119.03509	7.1
121.90343	0.8
125.02462	2.1
125.09585	0.9
131.03503	5.3
135.04521	1.6
143.03539	1.6
149.04610	7.0
161.04590	7.0
168.58707	0.8
172.28181	0.8
177.01950	7.2
179.05562	1.5
191.05664	6.6
193.41257	0.9
233.06714	1.3
243.58408	0.9
319.17712	16.5
416.65790	1.0
451.21936	100.0
451.32782	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	511.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71168	0.5
50.88090	0.5
51.29446	0.5
52.74799	0.5
52.93607	0.5
53.63293	0.6
55.01882	1.4
57.03462	0.7
58.00607	1.1
59.01385	41.2
69.03479	0.9
69.91199	0.6
71.01382	33.8
72.99324	0.8
73.02948	11.5
75.00906	0.9
75.87628	0.6
83.01398	2.9
85.02943	8.1
87.00920	1.0
89.02441	41.2
95.01379	2.7
97.02940	1.2
99.00877	12.1
101.02435	27.2
113.02460	12.9
115.03991	1.2
119.03487	10.1
125.02391	2.6
131.03511	5.0
132.90346	0.6
139.07605	3.3
143.03482	1.3
149.04579	6.0
159.02972	0.9
161.04573	6.2
191.05579	3.5
204.33221	0.6
233.06680	1.2
301.80414	0.6
319.14056	21.0
451.18304	100.0
452.18427	1.1
527.71765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
66.93634	0.2
71.01392	1.0
77.41180	0.2
78.95913	6.1
79.95748	1.3
85.02964	0.2
89.02468	1.3
95.04996	0.2
96.96017	100.0
96.96921	10.8
98.95608	0.9
99.00883	0.3
101.02428	0.4
126.66660	0.2
172.87505	0.2
271.05908	0.2
290.55334	0.2
451.18420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65562	0.8
52.09654	0.9
59.01394	10.5
59.49039	0.9
71.01400	7.1
73.02944	4.2
85.02962	6.1
89.02429	12.6
93.03468	1.2
95.05077	1.1
96.96001	1.8
99.00911	4.1
101.02444	4.9
116.92880	2.0
119.03498	1.0
119.30412	1.1
119.36538	1.0
127.03983	1.3
131.03452	1.1
135.04559	2.2
136.01663	38.3
149.02487	8.3
151.04030	23.2
158.93962	1.9
160.97772	1.4
164.04770	9.9
175.84480	1.0
179.07097	6.9
184.97647	6.2
191.05685	12.6
199.04047	2.0
200.04828	2.5
202.98779	10.0
211.04021	1.2
213.04099	1.0
216.98189	6.7
227.03415	6.4
228.04405	9.4
233.09131	1.4
234.99248	4.9
243.06561	4.6
248.97360	2.1
249.97710	1.2
256.03751	16.9
270.05441	4.8
271.06165	92.9
285.07745	6.7
286.08530	58.0
289.02454	13.2
300.09927	4.5
301.10867	100.0
349.12958	23.5
386.55707	1.1
451.05734	21.1
451.18375	11.2
463.16330	1.6
511.20569	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	509.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	96.2
60.73233	19.7
61.98839	47.8
64.63567	19.6
79.10664	21.2
80.30027	19.8
137.26965	22.7
139.04251	21.7
144.83957	22.4
156.55933	21.0
163.19641	21.6
210.14328	24.8
280.20419	22.5
293.31665	26.4
326.87579	28.5
380.48734	23.0
427.90997	24.1
473.32523	100.0
474.82285	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82772	10.0
59.01387	22.7
61.98844	67.4
85.63729	10.8
92.10770	12.6
92.55545	9.6
170.36565	10.0
224.31340	12.0
290.19241	10.1
291.70261	9.6
319.14148	11.2
409.31049	46.0
441.33755	41.9
471.30402	100.0
473.32614	51.4
488.46030	11.3
509.30212	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	510.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94814	0.2
51.35047	0.2
52.65875	0.2
53.98143	0.2
59.01398	3.8
59.32619	0.2
60.92765	0.1
61.98845	100.0
64.30740	0.2
67.97711	0.2
70.20525	0.2
71.01392	1.3
75.83756	0.2
79.82635	0.2
80.71448	0.2
85.02958	0.3
89.02451	0.5
90.52817	0.2
92.10754	0.5
101.02475	0.4
114.24703	0.2
114.56944	0.2
191.05743	0.3
227.72389	0.2
287.90088	0.2
304.57626	0.2
405.87814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87670	0.2
59.01382	3.1
61.98833	100.0
71.01380	0.4
75.61699	0.2
85.02959	0.3
89.02457	0.4
101.02406	0.8
103.23196	0.2
126.31569	0.2
143.53720	0.2
191.05595	0.3
286.70618	0.2
340.76053	0.2
359.06247	0.2
439.16623	0.2
450.23495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3127
Annotation	Palythoalone A
Peak:m/z	Relative Intensity
50.74717	0.6
55.01893	1.5
57.03457	0.9
57.15331	0.6
57.83221	0.7
58.00603	5.7
59.01386	8.0
61.98835	0.8
65.03972	0.7
69.03458	1.4
71.01382	9.3
71.05013	0.7
72.99322	1.4
73.02945	5.6
75.00893	1.0
81.03465	11.4
83.01411	4.3
83.05048	6.4
85.02959	25.6
86.00111	0.9
88.01685	2.8
99.00890	5.0
99.04543	7.6
101.02461	1.6
101.06091	1.1
103.04022	2.8
108.02216	1.5
109.02970	10.2
113.02431	0.9
121.43239	0.6
126.03258	1.4
126.65735	0.7
127.04025	19.0
142.49483	0.6
144.04236	1.0
145.05087	3.9
209.53464	0.7
247.16991	0.9
247.25400	0.7
253.68169	0.8
271.20584	1.5
291.23373	3.5
317.71851	0.8
319.22995	1.4
331.22812	1.2
349.23871	20.7
437.28336	0.8
509.31293	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	509.2891
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
54.04707	0.8
69.47472	0.8
78.74841	0.8
78.95900	17.6
87.93414	0.7
96.96996	1.0
152.98369	1.0
152.99605	31.2
227.03217	3.9
239.77698	0.8
239.83743	0.9
281.24896	100.0
286.66174	0.9
321.83710	0.9
339.08368	0.9
473.32837	1.0
479.10736	0.9
509.28900	47.2
510.29544	0.9
519.61743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.4
57.03452	2.3
58.00602	1.5
59.01382	22.6
60.41270	1.0
61.98838	4.0
69.03468	2.6
71.01378	22.0
73.02945	11.1
75.00866	1.2
83.01382	2.1
85.02950	15.1
85.76530	1.1
87.00873	39.1
89.02460	2.5
92.10178	3.5
95.01429	1.3
97.06564	1.5
99.00877	1.8
100.99243	0.9
101.02437	17.7
107.82093	1.0
111.00909	5.0
113.02434	8.8
117.03445	1.1
119.04996	4.4
120.99657	2.6
123.19135	1.2
129.01941	5.1
129.82028	1.0
133.02902	1.2
137.02428	1.1
138.94640	1.0
145.02972	5.6
159.02994	8.9
161.04463	1.5
163.04041	1.3
271.20712	8.6
289.21753	13.1
294.09158	1.1
317.21362	1.9
346.21637	8.4
347.18100	1.9
347.22305	49.1
349.23935	17.5
359.22324	1.6
363.16864	1.2
364.72226	1.3
419.24451	4.1
509.27634	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	509.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82668	0.5
55.01913	1.0
57.03463	1.4
58.00597	1.3
59.01396	100.0
71.01392	30.8
72.99319	3.3
73.02959	2.7
83.01416	2.8
85.02964	10.1
87.00875	1.7
87.02761	1.3
89.02454	38.9
93.03448	1.3
95.01372	3.2
96.96003	0.7
97.06559	0.7
101.02441	19.0
110.44739	0.7
113.02476	11.7
114.01443	0.7
119.03505	12.1
119.05100	0.7
123.08155	1.5
125.02391	0.8
131.03494	1.0
133.02907	0.7
135.04501	1.0
137.02460	0.7
143.03496	0.8
159.68204	0.7
161.02434	1.1
161.04515	1.2
173.04509	0.9
177.01855	1.0
179.05638	6.1
191.05627	5.0
197.10085	0.8
259.13620	1.1
271.21420	0.8
287.20056	1.4
293.19287	2.6
345.20700	3.9
347.22311	13.5
353.38873	0.7
449.27658	2.7
509.21085	2.2
509.27625	56.4
510.27820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
58.00619	2.6
59.01387	47.8
61.98869	2.7
63.32214	1.8
71.01381	36.5
73.02967	16.7
75.00890	13.3
83.01411	3.2
85.02974	14.3
87.00887	8.7
87.04540	3.6
89.02454	22.9
99.00877	8.5
101.02440	21.8
113.02478	11.4
119.03518	4.8
120.99693	3.0
125.06084	2.4
131.03569	2.7
133.02968	3.6
134.03671	2.6
135.04549	4.4
137.09778	17.5
145.02995	3.5
149.04581	3.9
155.10806	100.0
161.02457	13.4
165.07825	3.6
173.04596	2.6
179.03545	2.9
181.08821	3.0
191.05655	13.1
194.58057	2.0
196.57724	1.9
199.09790	31.6
201.05605	2.5
201.26715	2.4
209.11948	4.7
241.10889	5.1
449.20248	33.5
485.04126	2.7
509.22546	88.1
509.33688	3.9
510.22510	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	509.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
58.00619	2.6
59.01387	47.8
61.98869	2.7
63.32214	1.8
71.01381	36.5
73.02967	16.7
75.00890	13.3
83.01411	3.2
85.02974	14.3
87.00887	8.7
87.04540	3.6
89.02454	22.9
99.00877	8.5
101.02440	21.8
113.02478	11.4
119.03518	4.8
120.99693	3.0
125.06084	2.4
131.03569	2.7
133.02968	3.6
134.03671	2.6
135.04549	4.4
137.09778	17.5
145.02995	3.5
149.04581	3.9
155.10806	100.0
161.02457	13.4
165.07825	3.6
173.04596	2.6
179.03545	2.9
181.08821	3.0
191.05655	13.1
194.58057	2.0
196.57724	1.9
199.09790	31.6
201.05605	2.5
201.26715	2.4
209.11948	4.7
241.10889	5.1
449.20248	33.5
485.04126	2.7
509.22546	88.1
509.33688	3.9
510.22510	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	509.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42720	0.2
53.45925	0.2
53.64198	0.1
58.78978	0.2
59.01396	1.2
63.97710	0.2
69.73633	0.2
71.01389	0.3
73.38440	0.3
73.67726	0.2
74.99090	0.2
76.57731	0.2
78.95907	7.6
79.95308	0.2
79.95740	1.3
85.02944	0.2
89.02441	0.2
96.96013	100.0
96.96920	11.3
98.95621	0.2
101.02440	0.3
103.36732	0.2
121.02892	0.2
122.03683	0.3
132.15430	0.2
133.05070	0.3
135.04501	0.3
139.00122	0.5
150.03229	5.8
165.05585	9.7
176.46480	0.2
213.07755	0.3
275.09866	0.2
355.94803	0.2
395.79846	0.2
449.16785	1.5
482.57489	0.2
509.13293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	1.8
58.11423	0.8
58.64025	0.9
59.01385	62.6
61.98835	1.1
66.70032	0.8
69.03486	1.1
71.01379	47.3
72.99323	1.7
73.02946	16.7
75.54884	0.9
78.95922	1.5
81.85966	1.0
83.01411	1.8
85.02940	6.5
87.00899	1.1
87.42309	0.8
89.02443	100.0
92.10029	2.3
93.03482	1.3
96.96008	9.5
97.02974	2.1
99.00871	27.5
99.01512	0.9
101.02439	29.6
105.03443	0.9
111.00927	0.9
111.08149	11.1
111.17915	0.8
113.02425	6.1
116.57848	0.9
119.03528	1.7
121.02966	0.9
125.02448	7.1
131.03513	11.0
132.02170	1.1
133.03000	1.4
135.04503	1.5
143.03525	1.6
147.01831	1.0
149.04568	40.3
155.07123	6.3
156.50378	0.9
160.01636	7.7
161.02469	0.9
161.04565	3.6
175.04022	11.2
178.96362	1.0
191.05634	22.6
191.07303	1.2
192.06004	1.0
212.59583	0.8
221.04704	1.3
221.06709	5.6
233.06709	3.6
234.99220	1.5
251.07697	4.1
277.00381	3.8
293.08789	9.3
311.09967	4.7
355.10110	1.6
417.86874	1.1
449.16711	23.6
455.15067	1.1
457.24847	0.8
509.09216	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	507.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09692	2.6
52.62683	2.4
54.82608	2.9
57.10916	2.2
59.01389	3.0
61.98866	4.3
92.10191	8.3
99.34331	2.6
104.35757	2.8
152.99657	3.3
155.25606	3.0
279.23370	31.7
290.25558	3.6
381.94891	3.0
436.29929	2.9
471.34955	100.0
507.27652	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	507.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83251	83.5
55.87913	70.1
60.97804	81.4
88.04581	78.1
127.31841	81.6
130.10245	80.6
177.21921	79.6
189.07248	89.2
206.08839	79.9
498.78748	100.0
513.52448	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.9
66.76978	1.0
68.37220	1.0
69.03480	1.4
70.86143	1.0
71.01397	5.5
72.99297	1.6
75.00462	1.1
75.00880	1.2
84.95140	5.5
89.02444	2.5
91.98903	1.1
92.10740	2.1
96.96003	9.6
97.02957	2.5
101.02407	1.6
109.02973	47.8
111.00893	2.5
111.11265	1.2
133.02974	2.7
134.03784	2.7
135.04535	100.0
143.05006	5.6
146.03751	1.4
147.04533	1.6
148.05278	6.2
149.06097	52.6
151.04022	2.4
159.04596	1.7
161.02545	1.3
161.06105	27.3
162.03200	2.7
163.03958	1.4
163.07686	4.7
165.05583	2.8
166.05089	5.3
167.05399	1.8
171.04568	9.5
173.06104	1.8
174.03230	7.2
175.03868	1.6
177.05586	25.6
179.03566	8.5
188.04797	2.0
189.05598	81.6
191.03497	4.5
191.05580	1.9
191.07182	1.7
192.80536	1.3
193.05081	2.0
207.06664	72.4
221.04593	41.5
231.06662	5.9
233.04630	1.6
235.06142	5.9
239.05653	1.7
247.12762	1.3
249.07732	4.6
251.05646	4.7
272.68765	1.3
277.00204	1.6
297.09946	2.3
311.07803	19.2
311.11279	2.6
369.11969	5.6
383.09592	5.3
401.10880	5.6
411.12949	1.9
413.10971	42.1
415.12576	2.1
443.11536	8.6
455.12326	1.4
473.13013	32.6
473.19162	2.0
509.17343	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	507.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92541	38.2
56.61266	43.7
59.01385	57.5
70.32769	46.0
84.42827	45.5
95.25015	46.8
130.31230	49.0
238.55908	59.2
250.61577	62.3
447.34485	53.7
471.34555	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	507.2893
Annotation	Aburatubolactam C
Peak:m/z	Relative Intensity
55.79683	4.7
55.86583	5.8
59.01386	15.3
61.98850	6.1
66.72401	5.9
70.28540	6.3
70.98611	5.4
73.26808	5.8
78.95926	30.1
82.69024	6.0
85.46863	6.1
112.68865	6.0
152.99568	52.2
163.11183	7.0
279.23297	100.0
409.31314	35.9
444.47849	8.6
469.33093	8.5
471.30878	8.7
507.27414	62.0
523.94562	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	507.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79902	0.3
59.01395	4.5
64.34399	0.3
70.96468	0.3
74.46377	0.3
80.52632	0.3
91.04006	1.4
96.67693	0.4
116.02171	0.4
117.02632	0.8
117.03468	23.4
118.04269	0.7
119.05026	39.3
121.02953	5.4
123.04551	1.7
133.02965	0.7
142.56381	0.4
145.02968	100.0
156.84789	0.3
162.03275	0.6
163.04021	23.2
199.16794	0.4
269.21216	2.1
287.22269	9.3
415.24969	13.9
433.25952	11.8
448.28656	0.4
471.31140	0.4
496.72958	0.4
507.29703	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98039	0.2
59.01388	3.3
87.71632	0.2
89.15008	0.2
91.04034	0.6
92.09820	0.3
92.10079	0.4
94.25807	0.2
99.08190	0.2
115.08791	0.3
117.03481	22.5
118.04272	0.6
119.05035	38.1
121.02975	5.3
123.04537	1.6
133.02977	0.4
134.03679	0.3
139.11232	0.2
145.02974	100.0
145.49196	0.3
146.03340	0.5
146.45993	0.2
160.76497	0.3
160.86719	0.2
162.03235	1.1
163.04030	20.9
193.08922	0.3
269.21323	2.1
287.22330	7.9
308.05374	0.3
329.20291	0.3
415.24951	12.5
433.26019	10.4
433.32068	0.3
474.71835	0.3
507.29706	47.1
508.30298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2887
Annotation	Aburatubolactam C
Peak:m/z	Relative Intensity
52.62840	5.4
54.29663	5.7
58.33888	5.1
59.01394	100.0
61.98838	13.0
87.19503	5.7
89.98073	7.0
92.10728	17.1
94.73280	6.3
95.15509	6.9
95.16199	6.8
144.26772	7.1
145.03049	10.4
174.62978	6.4
202.83723	7.2
289.74182	7.9
409.31244	28.1
471.31219	33.8
507.28635	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	82.2
61.98844	16.9
100.85165	8.9
101.35030	8.0
135.11903	7.1
145.02982	48.3
447.31653	7.4
471.31088	9.8
507.28812	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	507.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.1
61.98834	5.2
70.01108	3.3
73.62691	3.3
95.41552	4.1
100.12836	3.8
163.49539	3.8
175.48009	3.9
304.99722	5.2
403.26508	4.0
409.31018	18.2
427.32297	55.1
471.30972	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	507.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47155	16.7
55.85652	14.3
59.01398	94.5
60.49785	15.2
61.98829	40.1
63.61418	15.0
63.86654	15.9
81.36091	15.7
82.67350	19.1
128.55743	16.0
150.26764	20.9
183.42979	21.2
270.44144	18.6
471.30707	28.0
471.35297	30.2
507.29010	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	507.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99399	0.5
51.13164	0.6
52.53687	0.9
55.01879	0.7
58.63758	0.6
59.01387	24.8
60.60425	0.7
61.98830	5.1
71.01385	15.3
72.99326	0.9
73.02950	0.9
78.17887	0.7
83.01386	1.6
85.02962	4.3
87.00895	1.0
89.02451	13.1
93.03434	1.1
95.05046	3.1
101.02447	12.7
106.59946	0.7
108.49809	0.7
113.02449	6.2
119.03490	3.5
121.06612	0.8
123.08164	100.0
124.01670	1.1
132.01160	0.8
159.03029	0.8
168.00710	0.9
179.03566	1.0
179.05615	0.8
191.05597	3.0
195.23080	0.7
203.10805	2.5
279.57437	0.7
345.20926	3.3
371.17151	4.6
383.17130	8.0
384.17899	1.0
489.25165	0.9
507.26068	61.8
508.26535	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	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30340	2.7
59.01396	4.8
61.98859	4.7
64.28322	2.6
65.15708	2.8
75.90262	2.5
78.95908	24.2
79.39767	2.6
108.15228	3.2
139.22841	2.9
148.96411	2.7
152.99603	42.5
154.48421	3.1
227.24324	2.9
279.23322	100.0
469.33096	4.3
471.34653	3.6
507.27359	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44794	1.9
59.01378	3.4
61.98843	4.3
62.03227	2.2
68.46407	2.0
78.95933	14.6
92.10127	8.5
98.11438	2.3
113.36121	2.8
152.99606	14.2
162.65791	2.7
177.13150	2.6
222.86588	2.1
226.13457	2.5
279.23343	100.0
307.92050	2.4
368.94675	2.4
423.32941	20.1
469.33325	39.9
471.34924	18.8
477.51111	3.3
507.27454	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	507.2606
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
55.01894	3.5
57.03452	2.6
58.00609	2.9
59.01386	11.1
69.03449	0.9
71.01380	19.8
72.99317	0.9
73.02953	7.8
73.85964	0.5
82.45012	0.5
83.01395	2.8
85.02951	13.2
87.00877	43.1
89.02455	2.4
95.01376	2.2
95.05025	3.0
97.06588	10.7
99.00877	2.8
101.02436	12.5
109.06633	0.7
111.00864	4.0
113.02453	8.2
123.08160	19.3
129.01976	4.0
135.08186	2.3
138.36244	0.5
151.11386	0.6
159.03024	7.6
161.04581	1.2
189.12679	1.1
213.80913	0.6
241.16052	2.2
245.15581	2.0
259.17038	0.8
269.19092	5.5
285.18774	1.3
287.20187	20.1
293.19186	2.7
297.18546	0.7
299.20139	0.8
305.21191	0.7
309.18613	1.0
311.20474	0.6
313.18320	1.1
315.19708	4.4
327.19592	2.6
329.21463	1.9
343.18896	1.0
344.19965	15.4
345.20758	63.4
346.20908	0.7
347.22351	26.5
357.20862	2.2
371.22168	0.7
399.22025	2.0
417.23074	3.8
507.26083	100.0
508.26434	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	507.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66803	1.5
54.12708	1.3
55.01890	2.8
57.03468	2.0
59.01389	67.9
61.98833	1.8
71.01383	49.4
73.02953	14.3
81.03443	2.2
83.01409	8.2
83.05048	5.6
85.02958	20.3
87.00877	2.1
89.02440	24.6
89.02831	1.3
93.03500	3.2
95.01399	1.8
97.02982	1.9
97.42039	1.3
99.00869	3.2
101.02454	34.0
111.00899	1.8
111.04552	6.3
113.02483	18.9
131.03517	11.8
149.04591	2.9
161.04601	9.5
191.05675	7.2
192.08693	1.7
245.32594	1.6
276.75873	1.5
315.18369	12.3
340.97647	1.7
341.98727	1.5
447.22446	100.0
447.28680	3.4
467.54352	1.6
507.29764	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	507.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66803	1.5
54.12708	1.3
55.01890	2.8
57.03468	2.0
59.01389	67.9
61.98833	1.8
71.01383	49.4
73.02953	14.3
81.03443	2.2
83.01409	8.2
83.05048	5.6
85.02958	20.3
87.00877	2.1
89.02440	24.6
89.02831	1.3
93.03500	3.2
95.01399	1.8
97.02982	1.9
97.42039	1.3
99.00869	3.2
101.02454	34.0
111.00899	1.8
111.04552	6.3
113.02483	18.9
131.03517	11.8
149.04591	2.9
161.04601	9.5
191.05675	7.2
192.08693	1.7
245.32594	1.6
276.75873	1.5
315.18369	12.3
340.97647	1.7
341.98727	1.5
447.22446	100.0
447.28680	3.4
467.54352	1.6
507.29764	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	507.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89744	0.8
54.83036	1.1
55.01888	6.4
57.03453	4.1
58.00600	1.9
59.01389	77.7
61.98840	6.7
62.47466	0.9
63.70581	1.0
66.01053	0.9
66.37820	1.0
69.03477	1.2
71.01387	56.8
72.99319	6.5
73.02951	25.8
74.99078	1.1
75.00881	1.5
83.01373	9.9
83.55971	1.0
83.71863	1.0
85.02961	21.4
87.00897	4.9
89.02442	61.7
93.03506	1.3
95.01402	2.1
96.96018	2.1
97.02942	1.5
99.00881	39.1
99.04529	1.1
101.02444	45.0
113.02451	15.3
115.04024	1.4
116.92857	1.5
119.03496	4.2
125.02451	6.1
131.03519	7.5
143.03510	1.4
145.02974	5.0
149.04558	13.8
151.04073	2.1
161.02489	2.0
161.04608	2.4
177.09193	4.1
177.75713	1.0
179.03506	1.3
191.05638	12.9
195.10080	1.2
209.08131	1.6
210.08727	2.2
221.09705	8.5
273.75671	1.0
327.08911	1.4
331.17792	3.8
401.48468	1.3
405.56784	1.4
463.21902	2.0
469.23288	1.4
471.15161	1.5
489.19919	20.2
507.15152	5.8
507.20947	100.0
508.21112	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	507.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08027	1.1
57.03454	1.9
58.00594	1.3
58.97825	1.0
59.01388	100.0
69.03474	1.3
71.01383	55.6
71.01776	2.0
72.99315	1.8
73.02946	18.8
73.45768	1.0
73.54675	1.0
77.21182	1.0
77.50916	1.0
83.01373	2.5
84.50356	1.3
85.02954	11.1
89.02445	92.0
93.03427	1.5
99.00893	26.4
101.02445	39.3
103.64828	1.2
113.02441	17.8
113.06705	1.1
115.03984	1.3
119.03540	13.8
119.05025	47.5
125.02459	4.9
131.03532	10.2
135.04510	2.0
140.99739	1.1
143.03397	1.5
149.04568	32.6
155.10803	7.4
161.04523	1.4
163.04024	13.0
166.94949	1.1
178.93831	1.3
179.05547	1.9
180.62083	1.2
191.05661	13.6
192.48106	1.2
199.09779	4.6
251.07675	4.9
263.42502	1.3
330.83008	1.2
343.14111	2.1
447.22452	92.5
507.19168	8.3
507.31961	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	507.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76981	1.1
54.47586	1.1
55.01876	2.6
57.03460	2.6
57.04002	1.5
59.01387	100.0
61.98834	52.1
64.89857	1.6
69.03458	2.4
69.63238	1.3
71.01382	71.4
71.23941	1.3
72.99335	8.1
73.02944	30.1
74.02435	1.3
77.87597	1.5
83.01421	6.2
85.02950	21.5
87.00909	7.0
89.02447	86.0
93.03431	5.7
95.01385	2.5
96.96017	2.7
99.00879	41.6
101.02446	43.4
102.98595	2.9
111.85934	1.5
113.02454	17.5
116.92853	2.8
119.03522	9.6
119.05015	2.9
120.99677	17.2
121.02969	1.9
124.07677	2.2
125.02464	7.5
129.38368	1.5
131.03513	9.4
132.04585	7.2
133.05334	1.9
145.02986	5.9
149.04591	24.0
161.04604	10.9
163.03957	2.5
165.04356	3.3
191.05612	20.9
212.82585	1.5
221.09862	2.2
224.53824	1.5
229.09787	3.3
251.07745	2.5
257.12881	2.7
283.05112	3.4
283.11020	6.6
285.25015	1.6
293.08661	2.5
301.11737	1.9
315.14590	7.1
327.09277	2.3
345.10947	17.1
387.11084	1.7
447.18054	35.5
507.14124	3.4
507.21011	64.6
508.20966	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	507.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83133	0.9
55.01890	1.4
55.63746	0.8
57.03446	1.3
58.00611	1.0
59.01389	51.8
61.98841	1.9
69.03461	6.7
71.01384	58.7
72.99322	1.6
73.02946	12.7
75.00866	1.7
81.03475	1.8
82.70569	0.8
83.01410	5.9
85.02956	16.0
86.00091	1.1
87.00882	6.5
88.98809	2.3
89.02443	47.9
95.01366	2.2
96.96017	6.5
97.02948	8.9
99.00874	14.5
101.02442	25.2
105.83379	1.0
109.02930	1.0
110.36765	1.0
111.00880	1.2
113.02441	14.7
115.04025	7.7
121.02925	1.1
122.30487	1.1
125.02442	18.4
131.03510	2.3
132.04503	1.3
135.04523	1.2
138.06880	8.5
142.66432	1.0
143.03488	4.1
149.04608	3.8
153.09235	13.0
159.03003	1.7
161.04568	8.0
179.03471	9.8
191.05614	8.1
194.05873	10.5
209.08217	1.9
227.09239	1.6
233.06654	12.9
288.57114	1.1
293.08813	17.7
315.14566	4.3
348.68097	1.2
417.03314	1.1
447.18771	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	507.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08835	0.1
51.63710	0.1
54.82523	0.2
55.01883	0.3
59.01382	2.8
71.01379	2.1
72.99316	1.5
73.02948	1.1
75.00872	12.8
75.60452	0.1
85.02945	0.3
87.00875	35.4
89.02453	1.3
99.00877	6.1
101.02443	1.6
103.25202	0.2
105.01938	32.4
117.01943	1.6
119.03501	0.4
129.01921	2.1
135.03021	0.9
139.17334	0.2
147.03004	5.5
152.77373	0.2
165.04051	100.0
166.04439	0.3
177.01747	0.2
191.05722	0.3
332.41080	0.2
435.49603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
58.00603	2.0
59.01389	88.7
62.03493	1.3
69.03475	9.1
71.01387	76.9
72.55022	1.3
72.99323	1.8
73.02936	10.5
73.98509	1.2
75.00903	2.1
75.10088	1.3
77.29211	1.6
81.03474	6.6
82.95422	2.4
83.01412	7.2
85.02975	11.2
87.00900	1.8
89.02447	91.1
95.01409	1.7
96.96044	2.9
97.02954	16.4
99.00884	17.5
101.02443	17.2
113.02460	6.8
115.04007	10.3
120.02166	7.8
123.04472	1.5
125.02455	47.6
131.03510	9.9
138.03217	14.8
143.03525	3.1
149.04582	13.2
151.04033	2.0
152.10754	1.5
153.05605	94.7
191.05586	10.3
220.01645	1.6
233.06709	29.4
271.27390	1.5
293.08859	100.0
299.32169	1.5
300.05591	1.4
447.15375	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	507.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	6.6
69.03458	5.0
71.01381	2.8
71.25172	1.0
72.48854	1.0
76.60669	1.1
81.03468	1.6
85.02956	2.1
88.98812	1.0
93.03489	2.2
95.01390	2.5
97.02961	4.5
101.02419	2.7
107.01418	1.2
108.02171	1.3
109.02943	1.9
111.78851	1.1
117.03522	2.1
119.05047	1.3
123.00879	15.9
124.01659	36.1
125.02448	73.7
132.02190	2.7
133.02924	1.2
134.03772	11.1
135.04506	5.1
137.02432	2.8
143.03488	2.5
149.06044	1.3
149.99599	63.8
151.00348	2.7
155.10812	2.4
156.49081	1.1
160.01677	22.4
161.02478	2.1
161.04512	4.5
168.00662	93.8
169.01437	8.6
170.09685	1.2
173.04570	1.2
175.04031	18.5
179.03560	1.6
191.05618	5.4
193.05054	7.3
255.75117	1.3
282.66208	1.2
313.05643	5.4
331.06808	15.7
421.45483	1.2
447.19116	2.5
507.11530	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	505.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	56.3
67.40237	15.8
92.75665	13.0
187.68697	15.9
249.60367	14.0
373.53970	14.3
377.75235	15.4
425.34381	77.6
433.74448	16.0
456.46301	14.4
469.33249	100.0
534.71741	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	505.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98049	15.3
59.01389	100.0
61.13633	16.1
61.98860	20.9
64.34905	17.8
68.16748	16.6
76.58200	15.5
106.28543	17.2
109.78284	17.8
116.16855	17.7
232.02289	18.7
252.78653	18.9
333.48361	22.2
452.96030	25.0
469.33176	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
61.73037	12.7
61.98835	69.8
69.35380	10.6
73.52431	11.0
87.32873	10.6
114.07897	12.8
161.33032	10.9
255.23273	55.4
376.32709	12.8
469.33197	26.2
505.30426	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	1.1
59.48642	0.8
61.98836	100.0
63.54211	0.8
85.66341	1.1
87.06313	0.9
109.31232	1.1
184.11372	0.9
244.23550	1.0
304.17487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98833	8.8
82.08492	5.8
87.73340	4.9
89.24582	5.0
103.04022	9.8
176.06287	5.7
179.02486	5.2
272.19138	6.5
374.43045	6.3
445.33170	8.0
469.33347	58.2
489.00571	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	505.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	19.6
79.42731	7.7
95.67165	8.5
107.25414	7.6
130.49785	10.1
207.27945	8.9
255.23297	100.0
262.29904	13.9
282.74475	10.2
370.79465	8.4
423.25220	55.0
469.33450	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	505.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27503	0.5
59.01385	13.6
73.16670	0.6
92.10871	1.2
103.27320	0.7
108.61079	0.6
117.03475	27.0
119.05031	38.5
121.02940	5.9
128.88503	0.7
133.02908	0.8
145.02966	100.0
163.02702	1.1
163.04025	23.2
228.65294	0.6
234.10881	0.6
267.19666	1.3
275.34329	0.8
277.15149	0.7
285.20773	8.5
356.55396	0.6
413.23355	12.8
431.24548	8.8
469.32999	3.4
505.28073	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3023
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
54.48731	1.9
57.03471	1.9
59.01396	39.6
61.98825	2.5
68.83916	2.0
70.05208	1.9
71.01388	23.3
72.99308	2.7
75.00889	12.9
76.89883	1.8
85.02963	25.0
87.00892	9.1
89.02446	4.7
92.10795	3.6
94.93687	1.8
95.01383	3.0
98.75720	2.0
99.00879	13.2
101.34641	2.1
112.81004	1.9
113.02464	28.7
122.94534	2.0
124.84928	1.9
135.93289	2.1
175.02467	2.2
193.93831	1.9
255.23344	91.8
267.07251	3.5
319.93933	2.0
469.33417	8.3
505.30298	100.0
505.37631	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2817
Annotation	Mucronine A
Peak:m/z	Relative Intensity
54.76215	0.5
59.01385	12.7
61.98841	2.2
68.15907	0.5
86.79661	0.6
89.02458	0.6
91.04018	0.9
94.22743	0.5
117.03474	26.1
118.04245	0.7
119.05037	40.1
121.02948	5.0
123.04599	0.6
145.02971	100.0
163.04033	23.6
164.47101	0.6
267.19711	0.9
285.20712	8.0
305.17380	1.1
409.93634	0.6
413.23386	13.8
431.24432	12.5
445.29559	2.7
469.21988	3.0
504.34592	0.6
505.28094	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2461
Annotation	Ajugapyrin A
Peak:m/z	Relative Intensity
55.01892	1.6
57.03458	3.1
58.00602	1.1
59.01387	73.5
60.22002	0.6
60.99323	0.6
61.98843	1.1
69.03446	0.7
71.01383	34.0
72.99321	4.0
73.02946	5.6
81.71394	0.8
82.95416	10.2
83.01406	3.5
85.02959	11.5
87.00882	1.5
89.02443	33.2
93.03449	1.5
95.01394	3.7
96.95972	0.8
99.00887	3.4
101.02449	27.1
113.02458	13.6
119.03492	9.2
123.08138	1.1
131.03491	0.9
134.03775	1.7
135.04529	1.5
137.02437	1.0
141.01962	0.8
143.03539	0.9
145.02945	2.9
149.23311	0.8
150.80885	0.7
161.02550	0.9
161.04573	1.3
165.89041	0.7
170.33835	0.7
173.04541	3.1
175.04004	1.2
179.05647	1.4
191.05629	3.0
193.05048	1.8
219.62738	0.8
227.11279	0.7
235.06180	0.9
325.18155	14.5
343.19128	20.2
345.20630	5.5
445.21463	1.1
469.07007	1.1
505.24548	100.0
506.25208	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	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44839	0.8
54.41715	1.0
55.01883	4.6
57.03456	1.8
58.00607	1.1
59.01387	40.7
63.67099	1.0
71.01382	35.5
72.24943	0.9
72.99306	1.7
73.02937	15.5
74.39993	1.0
78.15436	1.0
80.01041	1.0
82.95424	3.9
83.01384	7.9
83.37391	0.9
85.02958	15.4
87.00864	5.0
88.63805	0.9
89.02432	14.4
92.65112	1.0
93.03444	2.2
99.00881	7.7
101.02444	28.5
113.02474	8.8
119.03470	4.7
121.06128	1.0
125.02430	1.4
135.04514	1.2
137.02443	4.3
150.87883	1.0
161.04573	1.7
191.05635	6.5
196.32072	1.1
297.23956	1.2
329.19302	1.1
341.13910	5.2
373.18658	5.4
375.12631	1.1
416.04272	1.2
505.23032	100.0
506.23495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44839	0.8
54.41715	1.0
55.01883	4.6
57.03456	1.8
58.00607	1.1
59.01387	40.7
63.67099	1.0
71.01382	35.5
72.24943	0.9
72.99306	1.7
73.02937	15.5
74.39993	1.0
78.15436	1.0
80.01041	1.0
82.95424	3.9
83.01384	7.9
83.37391	0.9
85.02958	15.4
87.00864	5.0
88.63805	0.9
89.02432	14.4
92.65112	1.0
93.03444	2.2
99.00881	7.7
101.02444	28.5
113.02474	8.8
119.03470	4.7
121.06128	1.0
125.02430	1.4
135.04514	1.2
137.02443	4.3
150.87883	1.0
161.04573	1.7
191.05635	6.5
196.32072	1.1
297.23956	1.2
329.19302	1.1
341.13910	5.2
373.18658	5.4
375.12631	1.1
416.04272	1.2
505.23032	100.0
506.23495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00248	1.1
53.46445	1.1
53.47805	1.2
55.01883	6.7
57.03484	1.2
58.00603	1.4
59.01384	41.5
59.01656	2.6
65.65541	1.0
66.13471	1.1
69.03470	1.4
70.80648	1.4
71.01384	42.1
72.05972	1.3
72.99319	1.8
73.02952	18.4
80.53621	1.3
82.95430	2.1
83.01390	7.4
85.02964	18.4
87.00871	2.0
89.02439	23.4
93.03481	2.4
95.01411	2.8
97.02935	2.8
99.00890	12.0
101.02433	26.3
111.93201	1.2
113.02486	10.4
114.84292	1.4
118.33911	1.4
119.03526	1.7
124.99371	1.3
125.02428	2.8
131.03482	1.2
132.02165	7.0
133.02884	1.3
134.03734	7.6
146.85036	1.3
152.04826	14.7
155.10817	1.4
160.01666	39.0
161.02380	2.2
161.04559	2.4
167.07195	4.9
175.03998	29.5
180.19092	1.3
191.05565	3.3
191.43471	1.5
193.05028	7.2
211.13408	2.9
325.59238	1.4
337.05673	1.5
337.09207	12.3
361.19977	3.0
373.18594	8.4
430.56638	1.4
505.17099	7.4
505.23001	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	505.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29543	2.0
53.00605	2.0
59.01390	100.0
59.36166	1.7
60.99314	2.1
61.97306	2.5
61.98827	4.5
69.03458	3.2
71.01389	65.7
72.70668	2.2
72.99339	2.4
73.02966	13.0
83.01399	8.6
85.02940	17.5
87.00881	3.9
88.98824	15.2
89.02444	62.5
93.03494	2.5
95.01395	3.6
96.96011	5.0
99.32256	2.3
101.02444	44.4
102.98619	2.7
113.02464	22.7
116.92852	3.1
117.03503	5.4
119.03514	25.8
119.05007	4.0
121.06573	26.1
122.38597	2.2
125.02438	23.4
131.03473	3.5
131.16864	2.3
133.02982	12.2
134.03755	4.6
135.04517	4.8
143.03500	5.1
145.02963	21.1
149.04483	2.6
153.05597	3.8
159.80455	2.5
161.02451	2.8
161.04567	10.8
161.05975	2.9
163.04066	2.7
173.04590	2.8
175.79329	2.2
177.01794	2.4
179.05650	10.2
191.05594	12.3
221.06673	11.0
263.07846	3.0
308.30917	2.7
323.09918	39.7
445.17438	5.2
505.13916	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	505.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70573	3.0
54.82110	4.2
58.64739	3.4
59.01386	76.4
61.98830	4.5
71.01388	55.1
72.99327	5.7
73.02966	21.1
74.99114	4.3
76.68620	3.4
79.53607	3.3
83.01384	4.4
85.02969	20.1
87.00864	6.1
88.98820	8.4
89.02441	45.8
92.10733	5.3
93.03484	4.9
96.96033	24.9
99.00856	5.6
101.02459	40.7
113.02509	16.4
118.98103	16.9
119.03494	5.3
121.02962	36.8
122.06113	7.3
128.75395	4.3
133.02957	10.2
135.04500	6.6
137.02490	4.8
138.05673	4.8
145.02869	4.9
150.03275	19.8
161.04578	5.7
164.04817	15.8
165.05582	16.5
177.01953	55.7
179.07175	6.7
181.05293	4.8
191.05669	18.4
203.59401	4.1
227.07231	8.5
255.10300	9.5
337.18835	20.0
347.16183	6.9
356.59735	4.4
396.47928	4.3
445.20456	22.2
469.23114	89.6
505.14536	8.8
505.20911	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	505.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82436	1.2
59.01391	23.7
59.17815	1.1
67.67409	1.4
71.01385	11.8
72.99310	38.5
72.99693	2.1
73.02946	2.7
73.33408	1.2
85.02960	3.3
85.64867	1.3
89.02435	12.5
93.03467	2.1
96.96004	8.8
99.00893	2.0
101.02454	7.8
107.05034	10.2
113.02500	1.7
119.03559	1.5
119.05030	30.9
121.02921	3.2
135.04552	5.6
136.01646	2.4
147.04532	22.8
149.04659	2.1
149.06076	1.3
149.42482	1.4
151.04027	19.1
151.06078	2.3
159.04538	3.4
161.06110	3.3
163.04042	26.8
165.05658	5.0
167.03546	5.5
173.04501	1.5
177.05531	2.9
179.03479	6.1
180.04002	1.4
189.01979	1.9
191.03534	25.9
191.05647	2.3
193.05101	8.4
205.05057	9.7
209.04576	20.5
221.04623	2.8
233.04561	14.3
251.05688	12.1
255.10286	2.6
261.13644	1.3
289.17160	1.5
370.16205	1.6
417.88882	1.5
445.15439	6.1
505.15717	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	505.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99776	0.3
58.99606	1.5
59.01381	1.9
60.99313	16.4
61.98835	0.7
65.80400	0.3
71.01374	2.6
73.02938	0.7
85.02971	0.5
87.00886	1.9
88.98804	100.0
89.02435	4.8
91.50303	0.3
92.10841	0.9
93.03462	0.4
101.02457	1.3
102.98607	8.5
109.22322	0.3
120.99648	2.5
137.02461	1.2
167.30171	0.4
191.05690	0.4
222.91626	0.4
251.33038	0.3
283.04959	5.7
479.22266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32360	0.8
59.01392	9.4
60.22440	0.7
61.98823	1.0
63.67933	0.9
65.08818	0.9
71.01404	6.2
72.99317	35.4
73.02968	1.7
75.00866	1.1
75.96986	0.9
83.48712	0.9
85.02978	1.3
89.02460	6.4
91.05585	1.2
93.03481	1.4
93.88696	0.9
96.96019	2.2
101.02476	3.7
113.02432	1.1
115.05554	1.2
119.05032	14.1
121.02967	1.0
125.02487	1.1
126.50040	0.9
133.06586	1.7
135.04489	6.6
136.01675	25.5
137.02417	1.7
147.04559	42.7
149.06133	1.9
151.04033	26.2
151.06084	1.2
159.04515	1.7
161.02446	5.3
161.06076	7.0
163.04012	13.1
177.05591	2.0
179.03592	1.3
191.03561	45.0
205.05075	5.8
209.04605	25.4
231.08875	0.9
233.04561	15.8
233.06578	1.3
251.05678	13.5
293.08875	3.9
305.22775	1.0
311.08011	2.0
359.09488	0.9
505.15768	100.0
506.16714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33192	0.7
52.47410	0.6
59.01393	20.3
61.98842	5.3
69.04840	0.8
78.95921	1.3
81.84544	0.9
83.68800	0.9
84.98351	0.9
91.48582	0.8
112.65230	0.9
121.02959	100.0
132.02191	1.7
133.02968	6.0
134.03738	5.8
135.04536	2.2
137.09712	1.1
145.02939	3.5
152.99606	1.0
160.00452	1.1
160.01677	20.2
161.02425	3.8
171.10211	0.9
175.02513	1.4
175.04001	26.7
181.06569	4.8
193.05000	3.3
197.06068	2.2
213.72940	0.8
225.05522	1.8
277.21735	13.5
293.77298	0.9
313.07153	4.6
329.23383	7.7
407.82565	1.0
417.09698	7.4
424.32938	1.1
427.32187	1.0
440.31863	1.2
445.33282	4.6
469.33969	1.5
501.42340	1.0
505.11847	6.8
505.27969	22.1
505.35202	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	505.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.0
60.99320	0.7
67.01907	0.5
71.01386	5.7
73.02961	1.8
74.60404	0.4
85.02972	3.3
87.00888	0.7
88.98818	4.0
89.02467	0.8
93.03473	2.0
95.01413	0.5
99.00858	0.6
101.02470	2.9
108.02187	3.2
109.02970	2.4
113.02488	2.5
117.03455	0.6
119.05035	4.1
121.02963	1.2
122.03754	19.8
123.04540	11.7
132.02180	21.3
133.02951	4.0
134.03745	16.9
135.04538	2.9
136.01678	3.7
137.02451	5.5
149.06102	2.5
151.04016	4.7
155.10786	0.4
160.01675	100.0
161.02457	12.5
161.04477	0.5
163.04063	2.3
172.65489	0.5
173.04613	0.6
175.04021	89.5
178.02693	0.6
179.03516	0.8
191.05669	4.1
193.05064	8.1
195.82838	0.6
237.12010	0.5
299.09283	0.6
323.07831	2.2
324.53668	0.5
327.48306	0.5
337.09354	9.0
343.11935	3.7
461.14655	48.1
473.10840	0.8
505.13403	8.1
505.25070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57848	1.1
56.30185	1.2
59.01385	45.5
59.01651	2.3
67.20688	1.3
69.99369	1.4
70.07283	1.4
71.05058	1.5
71.66680	1.5
73.22885	1.5
87.47382	1.3
152.27396	1.7
178.32518	1.6
249.52162	1.5
277.21643	2.0
363.95007	1.6
393.28201	2.2
407.29709	3.3
409.31281	2.7
417.81882	1.6
423.32761	99.3
424.32980	1.7
443.31580	2.8
459.34949	2.3
469.33301	100.0
475.00397	1.4
503.33948	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98826	2.5
68.98980	0.5
92.10719	1.4
93.86346	0.6
112.75502	0.6
271.83435	0.7
341.21957	0.7
503.34158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00495	0.6
59.01386	100.0
61.60702	0.5
77.83295	0.6
83.22301	0.6
91.53951	0.6
92.10815	1.7
248.51851	0.7
271.37750	0.8
419.45032	0.7
503.33676	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	503.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36687	0.9
59.01388	100.0
61.98800	1.0
91.43018	1.0
147.26936	1.0
171.17783	1.2
182.76712	1.2
245.48999	1.3
297.37848	1.1
487.78259	1.3
522.60284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	7.6
57.03455	7.5
59.01395	50.8
60.40962	0.8
61.98805	0.7
66.53166	0.7
66.81891	0.7
69.03480	1.3
71.01392	55.1
72.01743	1.0
72.99326	1.5
73.02955	23.8
75.00872	0.9
83.01400	11.1
85.02960	29.4
87.00890	3.9
89.02451	24.5
89.34190	0.9
95.01385	3.8
97.02962	4.0
99.00893	14.4
101.02447	47.3
103.54298	0.8
111.00838	1.3
113.02457	20.9
115.04034	1.7
119.03530	1.9
125.02437	4.8
131.03516	3.4
137.09798	1.0
143.03535	1.7
149.04512	3.1
159.02997	3.4
161.04552	11.0
177.12299	0.8
191.05623	4.1
209.15439	6.0
233.06728	1.8
279.29630	0.9
293.08905	1.6
327.17432	0.8
371.20816	34.1
477.80515	1.0
503.25119	100.0
504.25360	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	503.3387
Annotation	Sublateriol A
Peak:m/z	Relative Intensity
52.29932	0.6
54.82904	1.0
56.98605	0.7
59.01380	8.3
61.98841	0.7
68.27811	0.7
71.05052	5.3
78.40076	0.7
90.99981	0.8
95.05041	1.2
97.06583	5.6
109.06644	1.3
189.12906	1.3
374.87738	0.8
391.30206	5.8
411.33023	3.6
423.33371	1.2
429.34189	1.3
439.28528	8.8
453.30603	4.3
455.31772	100.0
473.33148	1.9
485.32831	75.5
503.34253	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.339
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
53.64562	0.6
56.21738	0.6
59.01385	20.7
59.01653	1.0
62.70455	0.6
64.09081	0.6
71.05028	5.2
85.02986	1.4
97.06626	1.0
112.43909	0.6
115.02812	0.7
128.44499	0.7
191.14354	5.5
193.16069	5.6
235.13406	1.0
237.14980	5.7
261.18652	1.0
267.19839	0.8
297.98975	0.8
305.21292	3.8
379.34241	0.7
389.28906	1.3
393.27731	0.9
395.29428	0.9
397.31491	0.9
413.30539	1.3
423.32983	5.3
425.30811	12.8
427.32324	1.6
441.33853	6.4
443.31888	11.5
455.31952	1.1
459.34875	10.5
469.33368	31.1
473.32452	5.6
485.32690	3.1
503.33954	100.0
504.34143	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	503.2505
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.01889	6.7
57.03454	7.4
58.00609	0.8
59.01385	49.0
66.44380	0.5
69.03451	0.8
71.01381	52.9
72.99316	3.1
73.02946	22.0
75.00863	0.8
81.03473	0.6
82.85063	0.6
83.01392	9.5
85.02954	27.1
85.03455	1.0
86.00132	0.6
87.00893	3.1
89.02445	21.7
92.10070	0.8
95.01394	3.8
97.02969	3.6
99.00883	11.5
101.02443	45.9
111.00898	1.2
113.02454	17.4
115.03981	3.0
119.03516	3.3
125.02431	4.8
129.01950	0.9
131.03496	2.9
143.03499	1.5
149.04552	3.1
159.03015	1.3
161.04550	10.8
163.24820	0.6
191.05583	1.2
209.15482	8.5
233.06662	1.4
293.08755	1.1
371.20795	34.8
371.25525	1.4
503.25082	100.0
504.25729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82907	0.9
55.01908	0.8
57.03486	0.9
57.52158	0.6
58.00610	1.4
59.01399	85.5
60.78452	0.6
60.99329	1.0
61.98853	8.6
64.69251	0.7
69.03475	0.8
71.01398	52.0
72.99342	3.9
73.02959	24.0
73.03349	1.0
82.52764	0.7
83.01421	1.3
85.02977	6.0
87.83227	0.7
88.98811	6.0
89.02457	100.0
89.69531	0.7
93.03471	0.9
95.01400	0.9
96.96056	0.8
97.02969	1.3
99.00885	29.8
101.02459	31.5
101.03101	1.3
113.02487	6.7
115.04071	1.0
119.03518	3.0
119.05048	1.0
119.17780	0.6
121.58540	0.7
125.02447	3.9
131.03526	13.4
135.04541	1.5
137.02420	0.8
143.03506	1.1
145.02977	1.0
149.04578	50.2
161.02440	1.3
161.04573	1.3
169.39606	0.7
173.04613	1.3
180.25824	0.7
189.40189	0.8
191.05655	18.9
221.06584	1.3
221.08420	1.1
236.10469	1.0
251.07695	6.7
293.08777	0.9
311.09857	1.0
503.25153	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	503.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34520	0.6
57.03463	0.9
59.01383	21.0
61.98819	2.1
69.37985	0.7
70.06895	0.7
71.01381	8.6
73.02961	3.2
75.99229	0.6
78.54974	0.7
78.78468	0.7
84.05052	0.6
85.02959	4.8
87.00870	0.9
89.02430	11.2
90.10216	0.7
93.03407	0.7
101.02442	7.5
113.02422	1.6
114.46987	0.7
116.92844	1.1
117.03463	4.3
118.97990	0.9
119.03455	3.2
122.85227	0.7
132.02176	20.9
133.02937	1.6
134.03745	55.5
135.04489	1.4
147.04482	1.2
147.06700	0.9
149.04553	1.0
149.06078	8.0
153.05498	0.7
160.01666	96.6
161.02336	1.5
161.04616	0.9
165.07681	4.7
173.05923	0.9
175.04015	100.0
176.04791	6.2
177.01802	0.9
178.02696	1.4
191.05592	3.5
191.07166	8.5
193.05067	50.1
207.06642	1.7
209.76152	0.7
214.54050	0.7
235.06151	16.9
244.51199	0.8
265.07230	1.6
295.08209	3.4
337.09531	0.8
390.64743	0.7
432.99127	0.7
503.17780	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76773	1.1
52.88747	1.0
55.01899	1.7
55.97105	1.4
58.00595	1.7
59.01386	64.0
61.98836	4.9
69.03471	5.7
71.01383	49.1
72.99313	1.5
73.02937	10.5
75.00880	2.3
77.59576	1.3
81.03483	2.9
83.01394	5.2
85.02959	10.5
87.00871	1.5
89.02444	65.6
93.03451	5.8
97.02962	11.6
99.00881	14.4
99.04556	1.4
101.02434	14.2
113.02460	8.0
115.04009	5.7
116.92864	8.1
119.03540	1.5
119.05051	8.3
120.99660	3.1
125.02431	29.9
125.57462	1.2
127.56661	1.3
131.03488	5.4
134.03745	100.0
135.04533	1.5
147.04565	4.9
149.04593	12.3
149.06084	43.6
161.06032	1.8
173.04631	2.9
189.05547	2.2
191.05632	12.5
233.06689	25.7
293.08823	60.4
316.82538	1.4
368.45602	1.3
443.15567	1.4
465.23135	6.8
503.21310	7.4
517.75446	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	503.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08140	0.3
52.04424	0.3
59.01379	0.5
75.68011	0.3
78.95922	0.4
92.10045	0.6
95.23319	0.3
96.47729	0.3
96.96052	0.4
107.05050	0.5
110.77869	0.3
123.13193	0.4
134.03758	2.0
135.04538	100.0
141.82468	0.3
145.98343	0.3
161.02464	1.6
177.05571	0.4
179.03516	91.7
191.05653	1.6
191.64854	0.3
192.39343	0.4
194.76659	0.4
221.04636	0.6
312.29138	0.4
341.08847	30.6
350.67505	0.4
464.95877	0.3
503.14056	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	503.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36108	2.0
59.01389	36.7
61.98849	3.5
62.32881	2.2
68.70426	2.2
71.01382	25.4
73.02965	5.8
83.01396	2.7
85.02971	5.4
89.02436	46.9
96.96017	22.1
97.16028	2.2
99.00894	9.7
101.02460	14.8
104.33463	2.7
111.08175	17.4
113.02499	4.8
125.02484	12.9
135.04520	21.4
149.04617	5.7
155.07149	9.4
161.02466	3.2
178.36696	2.5
179.03554	16.7
191.05705	4.7
233.06650	8.5
293.08783	14.5
341.08844	3.8
449.16754	61.2
467.17853	42.0
503.15521	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	503.1606
Annotation	beta-isomaltotriose
Peak:m/z	Relative Intensity
53.71764	0.4
59.01386	17.9
59.14664	0.5
61.98833	23.1
63.94261	0.5
63.96229	0.6
70.52821	0.6
70.93616	0.5
71.01382	10.1
73.02940	1.1
74.99097	22.3
78.62757	0.6
85.02953	3.1
87.00888	1.1
88.98808	2.6
89.02435	11.5
93.03470	1.4
94.10372	0.6
96.95991	0.8
99.00851	0.9
101.02466	5.5
113.02456	3.3
116.92863	2.7
118.98085	100.0
119.03487	4.1
134.03725	0.9
135.04538	2.4
152.01041	0.7
160.01649	2.6
161.02367	0.7
161.04555	1.3
173.04553	1.4
175.04044	2.7
191.05605	6.4
193.05093	0.8
256.62222	0.6
301.55380	0.6
315.14569	3.9
330.68951	0.7
441.15933	3.5
443.19135	0.8
457.34045	0.6
485.15265	5.2
503.16077	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	502.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83055	0.7
58.60987	0.7
59.01397	4.3
61.98837	100.0
65.09093	0.7
74.24288	0.7
77.04720	0.8
106.80150	0.7
111.24532	0.8
155.53220	1.0
159.57495	0.7
197.91481	1.0
502.32608	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	502.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.4
60.14097	0.5
60.78945	0.5
61.98837	100.0
66.63779	0.5
66.70394	0.5
69.09260	0.4
79.56828	0.5
92.10835	1.2
123.19002	0.5
140.58199	0.5
151.83258	0.5
164.84256	0.6
212.12747	0.6
221.44577	0.6
414.24619	0.6
502.32465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39758	3.9
59.01394	40.6
59.25776	4.3
61.98832	100.0
64.90892	4.8
95.53026	4.8
98.26469	4.8
98.56932	4.9
109.16755	5.0
130.60623	4.6
145.99506	4.6
146.99431	4.8
221.53461	4.9
279.23447	6.9
280.23727	7.0
294.25250	8.6
326.22827	5.3
448.67960	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	501.3593
Annotation	Lamesticumin A
Peak:m/z	Relative Intensity
59.01384	100.0
62.17647	2.2
71.01401	2.4
121.70081	2.8
214.29591	2.5
263.75800	2.6
279.23358	13.5
281.43207	2.5
293.24847	11.9
364.65112	2.5
407.33777	2.7
425.34308	37.6
469.33218	15.6
501.32339	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	501.3593
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
57.03461	0.8
59.01394	10.2
59.01623	0.6
75.19320	0.7
85.02964	0.7
97.06613	4.0
119.75146	0.8
125.09727	0.9
129.74727	0.8
151.11327	1.3
161.48381	0.8
171.10155	0.9
253.03375	0.9
397.03577	0.8
423.29337	1.0
439.32217	5.7
457.33444	11.7
483.31415	3.2
501.35913	100.0
502.32062	1.1
502.37332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30103	0.3
58.27261	0.3
59.01390	2.1
61.98841	100.0
66.89146	0.4
71.01384	2.3
72.99323	0.5
73.34619	0.4
85.02965	1.6
88.98810	0.5
89.02476	1.4
93.03443	0.5
96.96017	3.4
99.92592	0.4
100.83279	0.4
101.02459	0.7
116.92855	2.7
119.05061	0.4
127.04031	0.5
134.03752	0.8
160.01640	3.5
161.02167	0.4
166.52870	0.4
175.03986	4.0
176.04393	0.8
179.03447	0.7
191.05618	7.8
193.05150	1.0
235.06294	0.4
236.06387	0.5
249.00652	0.4
290.75394	0.4
442.22412	0.5
502.16129	0.6
502.22525	0.6
503.17603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84472	0.3
59.01385	2.2
61.98835	100.0
70.71129	0.3
71.01387	2.0
73.02953	0.4
84.21500	0.3
85.02966	1.8
87.00870	0.5
89.02428	0.5
92.10692	0.6
93.03469	0.4
96.96021	2.8
101.02418	0.5
115.38419	0.3
116.92859	2.8
134.03738	1.3
135.04590	0.3
144.59044	0.3
146.08264	0.5
149.06148	0.5
160.01663	1.9
161.01988	0.5
173.04517	0.4
175.04031	3.3
176.04443	0.6
176.34586	0.4
189.01930	0.4
189.74823	0.3
191.05635	8.5
191.07300	0.6
193.05087	0.4
352.44913	0.4
361.04684	0.3
442.22620	0.7
502.16586	1.4
503.17624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3595
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
59.01389	1.7
60.90286	0.1
60.97775	0.1
66.13830	0.1
71.05035	0.3
94.60177	0.1
95.05067	0.2
97.06593	1.4
114.71192	0.1
142.22571	0.1
303.23389	0.3
355.26526	0.2
409.31360	0.3
413.30756	0.2
421.31128	0.2
439.32510	0.5
453.34253	1.0
455.31851	0.2
457.33612	0.3
469.33020	1.0
471.31235	0.3
483.31592	0.5
501.36118	100.0
502.36572	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	501.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34859	0.4
59.01395	6.5
61.98863	0.6
71.05030	0.5
77.22615	0.5
92.10744	1.1
94.83775	0.5
97.06602	1.3
123.31018	0.6
213.47195	0.5
395.29590	0.8
421.31113	0.7
439.32602	1.2
457.33313	3.2
469.33191	2.4
471.31418	0.7
483.31226	3.1
501.36459	100.0
502.36551	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	501.3596
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
50.34859	0.4
59.01395	6.5
61.98863	0.6
71.05030	0.5
77.22615	0.5
92.10744	1.1
94.83775	0.5
97.06602	1.3
123.31018	0.6
213.47195	0.5
395.29590	0.8
421.31113	0.7
439.32602	1.2
457.33313	3.2
469.33191	2.4
471.31418	0.7
483.31226	3.1
501.36459	100.0
502.36551	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	501.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10157	1.0
70.52657	1.3
100.28507	1.2
154.99460	1.3
155.55666	1.6
217.98784	1.3
300.69775	1.3
455.35391	100.0
456.35608	2.1
460.52103	1.2
474.00186	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	501.3233
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
56.97484	1.3
57.03466	1.8
59.01384	24.4
62.79948	1.4
67.29232	1.4
71.05024	6.7
83.05022	2.5
97.06550	2.0
98.20117	1.4
103.94119	1.5
107.32893	1.6
163.05647	1.4
189.12822	6.0
191.14459	2.6
202.80000	1.7
239.87482	1.9
261.18521	3.6
269.85202	1.7
305.21274	23.2
353.24808	6.3
355.26523	14.4
377.28848	2.7
393.31757	2.0
395.29498	2.4
405.28024	1.8
411.32803	11.9
413.34366	2.2
419.29880	2.1
421.26825	2.1
421.31277	36.7
423.29245	3.2
427.32178	9.3
437.30743	7.4
439.26358	2.7
439.32233	72.3
441.30182	12.0
457.33420	38.6
462.54254	2.0
483.31030	7.7
501.32184	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	501.3231
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
58.86807	3.1
59.01386	100.0
62.97000	2.8
67.72498	3.0
80.48679	3.0
86.39284	3.3
89.72405	3.6
92.10763	9.1
97.06627	5.3
100.49419	3.8
105.94537	3.4
118.11023	3.6
227.04492	3.9
275.16617	7.3
369.53207	3.8
429.08044	3.7
439.32227	19.8
455.31549	4.9
478.91916	4.6
493.93198	4.2
501.31870	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81536	0.5
57.03456	5.3
59.01389	11.2
69.03484	0.7
73.55295	0.6
75.64326	0.6
78.00410	0.5
92.10852	0.7
95.05042	0.9
97.06590	15.8
97.07176	0.6
101.10649	0.6
108.32341	0.7
115.25990	0.5
123.08173	10.5
125.09724	79.2
127.11311	2.4
130.28857	0.6
136.20963	0.6
137.09619	0.6
143.10815	3.1
147.11826	0.7
155.10796	0.9
157.12405	2.2
169.08731	2.4
171.10353	2.7
173.11916	2.1
187.09767	33.6
201.11285	0.8
216.63017	0.6
228.45132	0.7
244.40678	0.6
247.20992	0.7
264.24152	0.7
282.86612	0.6
295.22980	2.1
309.20837	0.9
313.23941	9.0
327.21930	1.0
329.23477	0.9
331.24957	24.5
345.22940	0.7
367.29996	1.0
427.32083	0.7
439.32654	2.7
457.33514	4.3
471.31491	2.0
483.33585	3.2
501.34366	100.0
502.34439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	2.1
58.00612	2.0
59.01394	84.3
59.80873	1.0
60.23464	1.0
61.98855	7.6
69.57011	1.1
71.01395	55.9
72.58295	1.1
72.99331	2.3
73.02955	22.7
85.02952	10.5
87.00890	1.5
88.98857	1.7
89.02451	100.0
92.10155	1.8
93.03488	1.7
95.17148	1.2
96.96036	1.7
97.02908	1.3
99.00878	30.3
101.02444	36.9
107.01411	1.7
108.02242	1.7
109.02953	1.3
113.02490	6.7
119.03516	1.9
121.02956	2.5
125.02477	5.4
131.03519	14.5
134.03734	5.9
135.04518	2.3
136.01599	1.6
143.03514	2.6
149.04570	52.2
151.00366	4.7
151.04033	2.0
153.05612	1.6
155.10823	8.0
160.45613	1.2
161.02461	1.6
161.04584	2.3
163.00409	1.6
165.14169	1.2
173.04633	1.8
177.01950	7.0
178.99870	1.6
191.05664	25.7
192.05812	1.4
207.18152	1.2
209.65263	1.4
212.44124	1.3
221.06616	4.6
235.22035	1.2
243.02971	5.0
251.07841	6.0
255.03131	12.8
271.02499	29.2
272.02908	2.2
273.03497	1.5
285.12448	1.9
300.02792	52.6
301.03479	19.3
302.03391	5.8
329.15109	1.4
463.08881	32.0
463.21851	1.5
465.09421	5.9
465.19849	6.2
501.20325	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	501.3232
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
58.34150	0.9
59.01403	5.6
63.80710	1.0
64.76749	0.9
67.77488	0.9
88.11324	1.0
97.06577	1.1
107.12984	0.9
131.59288	1.0
229.04721	1.1
457.34030	1.5
501.32410	100.0
509.19229	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	501.3233
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.58125	1.6
59.01385	18.2
60.95240	1.9
61.13753	1.7
71.05023	3.5
72.99313	1.9
83.05035	2.2
87.86861	2.1
148.90819	2.0
154.48547	2.1
164.47949	2.1
189.61259	1.9
251.12970	2.3
389.00974	2.5
391.06244	2.2
421.31088	2.4
427.32025	4.5
439.32306	3.8
457.33618	15.4
483.31323	15.3
501.32761	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	501.235
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
52.60294	0.7
57.03450	0.7
58.00604	1.2
59.01386	73.8
61.98848	1.1
69.03475	0.9
71.01383	48.8
72.99317	3.3
73.02946	19.6
73.69981	0.7
77.70245	0.6
79.95769	1.4
81.95336	1.1
82.62158	0.6
83.01418	1.4
85.02950	5.7
87.00896	1.0
89.02444	100.0
93.03490	1.2
96.96040	3.9
97.02943	1.5
98.95602	3.1
99.00886	30.9
101.02443	30.0
113.02453	5.0
114.39670	0.8
119.03514	1.1
119.04964	0.8
124.79085	0.7
125.02471	1.8
130.05859	0.7
131.03497	15.0
132.02180	1.0
134.03694	0.8
135.04480	1.3
143.03526	0.8
147.04634	0.7
149.04567	38.9
160.01653	8.2
160.33427	0.7
161.04616	1.0
175.03947	6.8
181.43393	0.7
191.05629	15.7
193.05006	1.0
221.06699	2.8
251.07774	1.4
293.09055	1.2
314.83136	0.9
465.23911	1.2
501.14340	5.2
501.20648	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	501.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52081	0.7
54.82523	0.8
55.01897	0.7
55.35712	0.6
56.03882	0.8
58.00603	1.8
59.01387	74.2
60.84890	0.8
67.88132	0.9
71.01381	47.9
72.99318	1.5
73.02946	20.9
83.01429	0.9
85.02955	7.0
87.00893	1.0
89.02443	100.0
97.02970	1.3
99.00875	30.4
101.02443	30.4
113.02425	6.1
119.03520	1.5
125.02419	3.6
131.03500	13.5
133.02936	4.9
135.04495	1.8
143.03534	1.1
149.04568	38.7
160.01657	1.1
161.02492	3.6
161.04524	3.1
177.01949	24.2
179.03569	1.5
191.05630	17.3
195.87688	0.9
209.11882	1.5
212.60236	0.9
221.06645	1.0
251.07709	1.6
293.08838	1.3
323.39511	0.9
339.07321	1.4
441.17520	1.7
501.20242	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	501.2119
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
52.51553	3.5
57.03425	3.9
59.01390	54.2
61.98836	62.6
66.68850	4.0
71.01383	34.2
73.02959	9.1
83.78817	4.0
89.02440	74.7
89.12150	5.1
93.18934	4.1
99.00880	10.8
101.02467	27.5
104.09579	4.3
131.03513	9.1
134.03729	4.3
145.02937	5.9
149.04590	61.9
163.03906	5.9
191.05678	21.4
221.06700	6.8
251.07634	6.6
265.42691	4.7
501.21127	100.0
501.33188	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	501.2119
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
59.01391	100.0
59.01658	5.7
61.95109	3.6
61.98853	7.8
64.78545	4.1
71.01390	69.4
73.02967	28.4
85.02968	14.8
85.05697	4.4
89.02457	87.8
93.03486	10.7
96.96037	10.3
98.95625	7.1
99.00893	29.4
101.02449	55.7
113.02457	5.5
125.02447	8.3
131.03534	9.1
133.02982	5.0
135.04520	4.7
147.04568	4.8
149.04587	30.2
154.70932	3.9
161.02469	5.1
161.04504	6.6
191.05638	51.0
289.10333	4.5
313.97412	6.2
320.36386	4.9
350.16226	5.7
465.23224	41.8
501.13412	11.2
501.21060	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43035	0.9
57.03438	1.5
59.01385	100.0
60.99306	1.0
61.98833	2.6
69.03460	1.8
71.01383	53.7
72.99319	2.3
73.02947	31.3
75.00866	1.4
83.01384	19.8
85.02954	17.7
87.00878	29.4
88.98810	7.9
89.02443	48.4
89.70474	1.1
95.01395	5.2
96.96016	24.3
97.02962	1.4
98.95596	14.2
98.96441	2.2
99.00859	2.6
99.92592	1.5
100.93365	1.9
101.02447	47.6
103.00405	1.2
113.02458	43.6
113.03246	1.6
115.92085	28.2
116.92865	19.0
117.05576	28.4
119.03513	15.6
125.02453	1.5
131.03494	7.4
143.03517	6.9
147.06674	1.9
149.04585	4.5
161.04616	15.3
177.01944	2.0
179.05659	15.4
191.05576	1.2
221.06621	1.8
323.09885	17.7
341.10922	55.7
378.44769	1.2
383.12054	70.1
395.16122	1.6
403.11334	1.4
423.15082	2.0
501.13605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10098	0.4
55.01851	0.4
57.03454	0.7
59.01382	11.7
61.98830	3.9
65.13041	0.6
71.01369	8.8
73.02952	2.0
75.00880	0.9
83.01411	0.9
85.02953	3.5
88.98794	1.0
89.02429	5.4
96.96014	3.9
97.02945	0.5
99.00910	1.1
101.02435	5.3
113.02474	3.4
119.03520	0.6
120.04515	0.6
121.05400	0.7
122.06113	18.1
135.04468	0.7
135.06900	2.4
144.04622	0.6
145.02992	1.0
147.04495	0.8
149.04742	1.3
150.05621	1.1
150.77299	0.6
162.05600	2.7
163.06407	12.3
164.03574	1.0
164.07162	1.2
166.05051	3.8
167.05838	0.9
177.02985	0.9
177.04335	2.1
179.03357	0.6
191.05582	3.2
191.07150	0.5
192.00662	0.9
194.04562	0.7
195.05385	12.4
209.84761	0.6
267.11594	4.3
285.12473	100.0
286.12790	0.9
290.85941	0.6
301.13013	0.6
441.19775	7.4
465.18939	9.4
501.16675	1.1
518.95135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.6
61.98833	3.6
71.01383	8.2
72.99326	0.7
73.02964	1.2
75.00873	1.0
83.01377	0.8
84.08146	0.4
85.02969	4.6
88.98831	2.5
89.02448	6.9
92.67450	0.5
93.03444	0.5
95.01461	0.6
95.05037	1.2
96.96003	4.1
99.00901	0.8
101.02441	4.6
113.02455	1.9
117.03502	0.6
119.03447	1.0
119.05099	0.6
122.06115	18.5
125.81921	0.5
135.06924	1.8
145.03001	1.8
145.05290	0.5
147.04564	1.0
149.04820	2.0
150.05583	0.9
161.04518	0.9
162.05627	3.6
163.06383	12.7
164.07220	2.3
166.05124	3.8
167.05916	0.5
176.02220	0.6
177.03003	0.8
177.04330	2.6
190.99876	0.5
191.05644	3.3
192.00635	0.7
194.04581	2.0
195.03725	0.6
195.05374	11.9
215.12033	0.5
267.11340	3.6
285.12473	100.0
309.15555	1.2
375.85773	0.5
441.19934	7.0
465.18900	8.1
501.15820	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	501.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79130	0.2
59.01396	1.0
61.98835	7.4
66.89204	0.2
71.01386	1.5
78.83180	0.3
80.17361	0.2
80.72909	0.2
81.77939	0.2
85.02971	0.5
92.10101	0.7
93.03468	0.6
96.23050	0.2
101.02453	0.6
105.47404	0.3
113.02466	0.3
117.03465	1.4
119.05028	100.0
121.03032	0.3
132.02164	5.0
133.02950	6.9
133.03870	0.4
134.03746	6.2
135.04518	4.5
136.20601	0.3
137.02478	0.3
143.79503	0.3
145.02960	1.5
147.04523	0.3
147.38031	0.2
149.04538	0.4
149.06078	1.1
160.01671	22.9
161.02454	19.1
162.03212	0.3
163.04024	31.1
165.81572	0.2
174.94283	0.2
175.04019	22.6
177.05577	6.6
178.02698	0.4
179.03552	3.0
190.75185	0.3
193.05020	3.2
202.02628	0.3
203.03568	0.3
215.49780	0.3
221.04555	1.1
269.04361	0.3
287.87045	0.3
323.07794	12.0
337.09344	14.7
406.26074	0.3
406.63675	0.3
501.06775	0.5
501.14175	13.0
501.20816	0.8
524.44958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01161	0.3
57.46697	0.3
58.88325	0.4
59.01108	0.8
59.01390	16.9
61.98837	4.7
71.01393	7.0
72.59241	0.4
73.02939	0.8
77.79457	0.3
81.04314	0.4
82.84834	0.4
83.01422	0.6
85.02967	2.5
87.00892	0.6
88.98788	0.5
89.02449	7.1
89.87511	0.4
93.03467	0.7
94.82195	0.3
95.01412	0.4
96.96016	2.1
99.00878	0.6
101.02451	4.1
113.02460	2.3
117.03476	25.4
119.03619	0.6
119.05035	17.8
121.02959	6.7
125.02462	1.7
131.03539	0.5
133.02908	1.2
133.06586	2.1
135.04486	0.7
143.08163	0.4
145.02968	100.0
145.08698	1.8
146.03313	0.6
146.09090	0.6
149.04573	0.8
161.02502	3.6
161.04582	3.2
161.06078	5.5
163.04019	20.3
173.04553	0.4
177.05588	1.9
179.03496	0.7
191.05637	3.1
193.07181	0.6
205.05087	5.3
219.03036	0.7
234.05363	1.7
235.06152	1.6
249.07800	0.5
265.07123	3.6
266.15823	0.5
277.66766	0.4
279.08820	2.6
501.16278	35.9
502.16751	0.6
508.83401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70884	0.4
59.01383	100.0
61.34930	0.4
70.16026	0.4
90.97139	0.5
92.10793	0.8
100.56663	0.4
101.82468	0.4
104.44832	0.4
132.98151	1.8
134.97064	0.7
142.86017	0.5
156.99979	0.6
157.03564	4.4
159.01506	2.1
174.99254	31.3
177.59927	0.4
187.24295	0.4
201.00616	0.5
201.02577	34.1
217.00322	94.1
218.98283	0.4
242.58115	0.5
324.44656	0.5
343.03815	2.5
359.01526	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.9
59.01387	66.3
65.90623	1.4
68.11812	2.0
71.01389	18.2
73.02962	13.0
73.95725	1.9
85.02981	3.8
89.02455	3.8
95.68414	1.7
101.02477	3.2
109.47442	2.1
113.02454	11.9
120.45753	1.8
130.91556	1.7
137.68127	2.0
149.30785	1.9
199.33687	1.9
261.22150	2.2
273.22232	12.3
277.18777	3.5
277.21771	100.0
291.23340	43.4
301.21765	7.5
319.22781	12.9
334.52411	2.0
447.87448	2.3
499.30627	11.7
499.36954	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	500.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16655	0.2
54.84717	0.2
56.15534	0.2
59.01390	1.3
61.98839	100.0
66.10861	0.2
71.01395	0.5
74.66486	0.2
82.25887	0.2
89.02456	1.1
90.91088	0.2
96.96011	0.3
99.00880	0.3
101.02471	0.4
149.04555	0.5
201.65012	0.2
238.65068	0.3
405.78152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45249	0.1
59.01387	0.4
61.98835	100.0
71.01381	0.5
76.75071	0.2
80.90312	0.2
89.02443	0.5
96.95999	0.4
101.02445	0.3
138.61540	0.2
144.26891	0.2
156.98029	0.2
177.01906	0.3
184.27995	0.3
189.15651	0.2
191.05672	0.3
357.51636	0.3
440.17654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.9
59.66069	0.2
61.98836	100.0
71.01391	0.2
80.48495	0.2
89.02446	0.3
92.10104	0.4
93.78790	0.2
95.48096	0.2
106.15341	0.2
118.50362	0.2
134.03763	0.4
145.02931	0.4
191.05591	0.3
191.25679	0.2
348.73080	0.2
475.38818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.4
57.03459	1.4
59.01394	19.7
60.01706	0.4
69.03491	0.5
70.06340	0.5
71.01389	28.3
72.99338	0.9
73.02953	13.7
75.00870	0.6
77.82513	0.5
81.03461	0.6
83.01405	5.0
85.02962	15.1
87.00902	2.2
88.04038	2.0
89.02448	11.5
95.01398	1.3
96.96011	3.4
97.02976	2.2
99.00883	8.5
101.02448	32.9
111.00918	0.7
113.02450	12.6
115.04024	1.2
117.01927	0.9
119.03513	0.7
123.28194	0.5
125.02451	3.0
130.08745	100.0
131.03499	1.3
143.03528	1.1
159.02994	3.8
161.04570	20.9
191.05609	1.0
233.06601	3.3
237.09824	29.2
309.11978	0.7
369.14084	99.3
370.14413	0.8
412.96078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.9
59.01387	66.3
65.90623	1.4
68.11812	2.0
71.01389	18.2
73.02962	13.0
73.95725	1.9
85.02981	3.8
89.02455	3.8
95.68414	1.7
101.02477	3.2
109.47442	2.1
113.02454	11.9
120.45753	1.8
130.91556	1.7
137.68127	2.0
149.30785	1.9
199.33687	1.9
261.22150	2.2
273.22232	12.3
277.18777	3.5
277.21771	100.0
291.23340	43.4
301.21765	7.5
319.22781	12.9
334.52411	2.0
447.87448	2.3
499.30627	11.7
499.36954	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	499.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82895	1.0
55.01879	3.7
57.03460	4.0
59.01387	32.9
60.10220	0.8
61.98832	5.9
64.62134	0.8
65.65620	0.9
66.98683	0.8
67.01897	1.1
71.01382	47.7
73.02946	18.6
76.21648	0.9
82.95437	5.1
83.01406	7.3
85.02953	23.7
87.00891	4.3
88.98795	1.2
89.02441	19.6
93.03466	11.6
95.01382	1.7
97.02961	1.8
99.00899	8.2
99.04531	1.1
101.02447	35.7
105.38384	0.9
108.16252	0.9
111.00854	1.1
111.04511	1.5
113.02455	19.5
115.04021	4.5
119.03502	1.8
125.02411	2.0
127.03975	1.1
131.03430	1.2
134.03761	6.8
135.04523	2.0
136.01668	1.6
137.02495	0.9
140.15021	1.0
143.03496	4.5
145.02954	1.9
149.04565	4.0
159.03006	4.2
160.01692	4.3
161.02509	2.0
161.04562	19.2
173.04553	4.9
175.03981	4.5
176.01215	1.2
187.03951	1.6
191.03743	1.3
191.05630	40.4
192.05911	1.3
193.05000	1.7
233.06673	3.8
251.85423	1.0
307.06134	1.6
307.12125	1.1
307.17712	13.5
309.94363	1.1
323.09793	1.0
325.07333	0.9
416.36832	1.2
439.21942	100.0
440.22363	1.1
463.21951	8.7
499.13437	5.1
499.20187	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.0
57.03452	3.3
58.00613	0.4
59.01388	33.7
61.98835	0.8
67.01936	0.4
69.03474	0.7
71.01385	37.6
72.99302	0.8
73.02948	21.4
73.03361	0.8
73.76650	0.4
75.00868	0.8
75.07225	0.4
75.96434	0.4
83.01398	9.0
85.02959	22.6
86.00089	0.6
87.00883	2.6
89.02449	13.8
92.10460	3.7
93.03468	0.8
95.01386	3.3
97.02972	1.9
99.00895	7.6
99.04508	0.5
101.02448	41.7
111.00880	2.9
112.98634	0.4
113.02456	17.6
115.04033	1.8
116.92870	0.4
119.03516	0.8
119.04967	0.7
123.00908	0.5
125.02444	3.2
129.02011	0.6
131.03516	2.4
136.21907	0.3
137.02480	0.4
143.03503	2.1
145.12334	0.7
149.04575	2.2
159.03000	3.3
161.04570	12.1
163.03963	0.5
173.04572	1.5
191.05646	2.2
293.08896	0.5
307.17715	21.1
344.79065	0.4
404.55881	0.5
439.21954	100.0
440.22208	0.5
499.14932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.1
59.01388	100.0
60.96112	0.6
61.98854	2.6
62.57550	0.7
65.45190	0.7
67.01894	0.9
69.03469	5.2
69.24751	0.6
71.01386	43.0
72.99319	1.8
73.02953	18.9
75.00899	0.8
81.03467	2.7
83.01418	3.1
84.91747	0.6
85.02969	6.4
87.00890	0.9
88.81862	0.9
89.02448	96.3
93.03448	5.6
95.01386	1.3
97.02932	5.6
99.00887	19.5
101.02448	33.1
101.06106	0.7
110.35193	0.7
111.00875	1.0
113.02460	9.3
115.04000	1.3
119.03526	1.1
119.05016	1.0
125.02453	25.4
131.03525	13.5
143.03546	1.7
145.02933	1.4
145.08723	55.5
149.03323	1.1
149.04572	36.1
149.68900	0.8
159.00827	0.7
161.04599	1.4
161.06084	0.8
163.04012	1.6
171.00031	0.7
173.04588	5.3
187.09737	1.0
191.05632	16.7
221.06700	4.1
233.06738	7.4
251.07698	1.2
264.68463	0.7
275.07883	5.4
277.13028	1.0
293.08862	29.3
311.10114	1.4
337.11285	1.2
346.04745	0.7
353.10965	1.2
362.31793	0.7
370.95627	0.9
380.03333	0.9
409.95215	0.8
434.07828	0.8
438.20593	0.9
439.21185	1.6
499.14365	6.7
524.29608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1965
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
50.29211	2.5
59.01392	19.4
63.11713	2.5
68.41206	2.5
71.01398	19.6
72.99309	4.2
73.02954	5.1
79.25825	2.9
79.95767	18.1
85.02979	15.1
89.02457	6.6
93.03481	19.0
95.95271	5.2
96.96027	59.8
101.02454	15.1
109.02955	5.9
110.97611	4.8
133.02960	3.8
136.01683	4.3
137.02449	5.2
151.03998	3.4
153.01987	4.1
159.26904	3.0
173.04585	13.2
177.01968	14.7
189.07689	6.5
191.05553	28.3
207.01376	3.2
209.11871	100.0
227.12943	16.2
228.05809	3.4
253.09344	6.7
420.98163	3.1
439.21960	12.7
445.20755	6.3
463.21805	12.0
499.12823	24.1
499.19455	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04666	1.7
55.01908	2.8
59.01388	41.5
59.97619	1.8
61.98841	4.6
71.01376	41.0
72.99325	3.1
73.02952	17.1
81.03482	2.3
83.01395	8.5
85.02953	36.0
87.00909	5.3
89.02455	17.1
89.20895	2.0
89.86939	2.0
90.98758	2.3
93.03463	13.0
96.96005	2.6
97.02941	2.4
99.00880	11.5
99.04533	2.5
101.02470	31.1
109.02959	2.1
113.02479	17.6
115.03992	2.6
119.04960	2.5
134.03729	25.6
143.03517	22.0
145.02963	3.2
149.06026	2.5
160.01711	8.0
161.02521	2.7
161.04593	29.0
163.04089	2.5
175.04060	4.5
191.03845	3.7
191.05632	100.0
193.05058	12.6
202.06360	3.1
307.17542	11.1
319.14185	4.0
321.19458	2.9
323.09763	12.4
363.57077	2.5
430.14441	2.6
439.22009	68.1
453.23361	12.1
463.21719	11.2
499.13104	4.0
499.20203	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55241	3.1
54.58072	3.1
55.01898	5.0
58.00615	5.8
59.01387	46.4
59.78672	3.0
61.98849	5.2
71.01391	28.5
73.02969	4.8
77.40855	3.7
79.95721	6.5
83.05063	4.8
85.02966	16.5
89.02451	37.4
89.11153	3.7
92.10112	6.9
93.03474	15.5
96.96017	57.8
99.00906	3.7
100.48272	3.5
101.02443	17.0
109.02922	6.8
121.06683	4.3
137.02464	5.7
140.87219	3.9
143.03540	9.0
151.04025	5.2
161.02534	6.6
161.04605	6.8
163.11415	5.9
173.04599	9.3
175.11288	23.4
187.06413	7.0
187.11217	4.8
191.05658	25.4
205.12364	34.2
209.11879	100.0
227.12906	15.7
237.06784	4.5
253.09415	19.3
293.08817	9.6
329.15219	38.1
439.21860	16.4
463.22208	7.7
499.13058	5.5
499.19443	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1964
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
57.03477	4.6
59.01395	57.2
60.99323	20.4
61.98837	24.2
70.31425	3.4
71.01391	49.4
73.02977	27.1
75.49606	3.2
83.01413	3.5
85.02966	33.9
88.98801	62.7
89.02447	30.9
93.03472	18.5
95.01381	6.0
96.96023	19.8
99.00898	6.4
101.02438	49.4
113.02455	16.4
119.05036	18.1
134.03784	5.1
137.02423	9.4
161.04591	6.7
163.04080	15.3
173.04440	5.1
191.05650	27.2
307.17618	8.1
331.17810	7.5
357.14032	4.3
439.21844	58.3
463.22098	94.1
499.19730	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	499.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21822	1.1
59.01386	24.8
59.62586	1.3
61.98847	8.2
65.28066	1.2
71.01387	15.4
73.02953	2.4
73.53175	1.4
73.93753	1.2
85.02956	12.2
89.02443	11.7
93.03475	2.7
99.00874	2.3
101.02473	7.2
107.01411	3.1
108.02159	1.5
109.02972	1.9
113.02493	5.4
121.02967	1.7
129.46078	1.5
134.03766	3.0
135.04581	1.7
143.03545	3.2
145.02998	2.2
151.00392	16.8
154.35867	1.7
161.04567	1.8
163.00374	2.9
173.04552	3.1
174.50822	1.6
175.03978	1.8
178.99841	8.2
191.05638	82.8
202.06245	1.9
211.03970	2.0
226.02835	2.1
227.03462	2.6
243.02963	9.1
254.02118	2.0
255.03023	29.9
271.02545	65.0
272.03091	5.9
300.02808	100.0
301.03564	39.9
323.09940	1.5
336.09802	1.9
351.59976	1.6
361.55862	1.5
414.90878	1.6
439.21976	7.9
463.08957	77.8
463.21890	18.3
464.09079	6.9
499.19482	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	499.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75729	2.0
56.37033	2.1
57.03447	2.5
59.01386	43.4
59.01606	2.5
60.02901	2.3
60.12096	2.5
61.98841	19.4
68.03115	2.7
68.78288	3.1
71.01384	34.9
73.02961	11.8
75.00893	3.1
80.29329	2.7
82.95421	100.0
83.01408	3.3
85.02969	16.1
87.00880	5.4
89.02448	29.9
92.10109	6.4
93.03442	5.5
99.00892	12.4
101.02429	21.2
105.01936	23.4
113.02446	12.9
120.01231	3.0
121.03017	2.7
122.62529	2.5
134.03766	14.1
135.04469	3.7
143.03506	11.4
149.04567	4.0
160.01723	6.9
161.04567	5.9
173.04652	3.5
175.04018	5.2
175.06139	10.5
175.11272	8.8
179.73024	3.2
187.07635	5.0
191.05655	30.8
192.88669	3.0
193.05083	4.8
205.12387	5.4
207.06506	2.6
232.72231	2.9
257.70438	3.1
260.10858	3.4
267.90366	2.7
286.75931	3.0
293.08868	4.8
365.66412	3.1
439.21164	31.0
463.22073	31.5
499.19986	42.3
501.08640	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	499.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32240	2.2
59.01387	93.0
59.01690	3.2
59.02776	2.0
59.53288	2.0
59.82668	1.9
61.98853	11.8
63.87426	2.0
65.15458	2.4
65.30209	2.0
71.01384	23.6
73.02963	2.2
74.66835	2.5
83.01426	3.3
85.02992	13.9
89.02444	19.0
93.03474	3.3
98.74221	2.5
101.02486	9.4
109.02921	2.4
113.02487	4.7
118.40685	2.3
119.03556	3.8
132.02187	14.5
133.02977	11.3
134.03738	43.5
135.04532	15.6
136.89279	2.3
147.04553	5.5
149.06104	10.7
160.01682	100.0
161.02521	23.8
173.04584	16.2
175.04002	88.7
176.04803	20.7
177.01967	5.2
178.02753	3.2
179.03520	9.7
191.05637	38.0
191.07216	22.7
193.05084	51.8
220.03883	3.0
235.06155	35.5
264.43201	2.5
281.06561	3.0
295.08246	11.5
323.13583	65.7
337.09454	5.1
407.43707	2.4
425.14697	3.1
436.50165	2.6
439.16086	10.0
481.17108	2.7
499.18259	78.7
499.29227	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	499.1467
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03461	1.1
57.77818	1.0
58.88393	0.8
59.01382	12.0
60.99310	4.7
61.01780	1.0
61.08997	0.8
61.98840	7.6
63.36021	1.0
63.45956	0.8
67.01904	12.1
69.03453	1.5
71.01387	11.3
73.02962	1.3
81.03426	2.0
83.05043	1.8
85.02976	9.0
87.00880	20.6
88.98836	1.4
89.02439	5.1
92.10229	1.3
93.03461	86.4
93.13548	0.9
96.96004	6.0
99.00898	3.7
101.02466	5.4
109.02972	1.8
111.04548	14.5
113.02442	3.6
119.05035	49.2
127.04066	1.1
135.04564	1.1
137.02423	2.1
145.02963	1.6
155.03542	1.3
161.04523	1.4
163.04039	30.0
171.86909	1.0
173.04578	21.4
191.05644	100.0
195.06708	1.0
234.99306	1.2
337.09445	11.5
337.18845	3.5
353.11041	1.3
379.10406	1.2
439.17343	4.5
499.14688	83.7
499.20950	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	499.1465
Annotation	kn-93
Peak:m/z	Relative Intensity
52.82883	0.7
57.03478	1.0
59.01389	16.5
60.99326	1.0
61.98834	27.0
67.01890	7.6
68.99585	2.2
69.03484	1.4
71.01386	16.0
73.02969	4.6
78.95940	0.9
81.03477	1.3
83.01393	1.4
85.02954	7.6
87.00884	4.6
88.98791	1.2
89.02454	8.3
93.03455	48.3
93.04012	1.9
95.71547	1.1
96.96008	60.6
96.96957	1.8
99.00920	2.2
99.04514	1.5
101.02418	7.3
109.02957	1.8
111.00851	2.2
111.04529	10.8
112.98576	1.2
113.02470	6.3
117.03481	7.0
117.95368	1.0
119.05029	32.0
121.02922	1.8
125.02527	1.3
127.03991	1.2
132.05815	1.5
133.06577	11.4
135.04503	1.6
137.02431	11.0
145.01863	2.0
145.02962	37.8
146.06171	1.1
151.04004	1.4
155.03532	6.6
161.06087	29.3
163.04024	35.4
165.11241	1.1
173.04552	67.7
177.05551	11.7
191.05592	9.9
202.04280	1.1
205.05086	24.8
235.06178	3.9
265.07205	11.5
353.10941	12.7
364.64984	1.2
438.20773	4.8
439.21194	8.4
456.19952	1.3
499.14661	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	499.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83620	0.1
52.42944	0.1
52.69823	0.1
53.56378	0.1
57.04686	0.1
59.01392	1.1
61.98829	0.1
71.01397	0.8
73.02959	0.3
78.95909	3.2
79.95743	1.7
83.01398	0.1
85.02953	0.2
89.02458	0.2
93.03486	0.1
96.96017	100.0
96.96907	5.1
99.00878	0.2
101.02425	0.6
113.02457	0.6
117.71823	0.1
146.06177	0.2
149.04485	0.1
161.02513	0.1
161.04727	0.1
180.06744	0.1
191.05663	0.4
211.07700	0.1
242.10233	0.1
252.03090	0.1
337.36664	0.1
438.20383	0.2
439.21857	1.4
455.20239	0.4
499.22516	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	499.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37641	0.5
57.03453	0.9
58.87315	0.5
59.01390	4.0
60.01321	0.5
61.98846	1.2
63.06351	0.5
67.01888	3.5
69.03475	0.5
71.01360	4.3
75.63623	0.5
80.88097	0.6
81.03432	0.7
83.05027	0.9
85.02966	2.8
89.02480	0.7
93.03455	28.6
96.96014	0.8
111.00889	0.6
111.04526	7.2
117.56927	0.6
119.05019	14.7
124.27283	0.5
127.04007	0.8
133.02951	1.2
135.04535	15.1
137.02458	7.9
137.03973	0.5
155.03491	6.1
161.02425	3.4
163.04008	17.0
168.67848	0.5
173.04562	100.0
177.01889	0.9
179.03531	10.4
191.05621	12.2
226.74582	0.6
318.08450	0.6
331.94553	0.5
337.09363	29.6
353.08917	10.6
367.35239	0.5
388.68619	0.6
463.25726	0.8
499.12131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68568	0.3
54.71076	0.3
56.70226	0.3
59.01394	2.7
60.56800	0.3
70.21823	0.3
71.01397	1.9
73.02939	0.4
79.95750	52.4
80.96526	0.4
85.02979	0.8
89.02484	0.6
92.10798	0.8
93.03498	0.5
95.95245	14.4
96.96023	100.0
101.02409	0.7
109.02927	0.5
109.24907	0.3
110.97591	6.1
113.02446	0.3
134.03802	0.4
135.04536	0.3
137.02513	0.7
138.03191	0.7
139.03995	0.4
141.95737	1.4
149.04593	0.5
149.99951	0.7
151.04048	0.5
152.01158	1.6
160.01616	0.4
161.02426	0.5
166.02689	1.3
167.03474	1.6
173.04520	0.4
175.03969	0.6
181.05046	1.9
191.03430	0.3
191.05574	2.1
191.86081	0.3
193.05009	0.7
207.06580	1.1
249.51385	0.3
287.58115	0.4
289.03937	0.7
389.12479	1.5
439.21875	1.4
469.08499	0.5
484.10522	2.2
499.12872	61.0
500.13159	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	497.3643
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
51.23420	0.6
59.01395	4.7
59.64859	0.6
74.82489	0.7
164.48537	0.8
398.17834	0.9
437.34271	5.8
488.06961	0.8
497.36472	100.0
518.53809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79346	57.9
68.00385	55.5
90.47998	53.6
159.26328	64.4
240.42969	58.0
269.25003	100.0
270.21097	59.6
298.95724	70.8
353.55643	67.0
461.36612	69.3
469.35956	72.9
474.16946	59.9
477.12601	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03466	0.3
59.01387	10.0
60.01733	0.7
61.98837	100.0
69.03430	0.3
71.01387	8.2
71.99268	0.3
72.01735	0.7
73.02956	3.1
74.03280	0.4
83.01369	0.5
85.02969	2.1
89.02453	10.1
90.02782	1.5
92.51270	0.4
95.01355	0.4
97.06589	0.6
98.74863	0.4
99.00892	3.5
101.02448	5.8
102.02775	0.7
113.02454	2.2
119.03487	2.1
121.48853	0.3
125.02374	0.5
125.06059	2.3
131.03485	0.5
132.03838	0.4
141.05624	0.4
143.25543	0.4
143.45093	0.3
149.04541	1.2
160.20950	0.3
161.04582	0.7
172.46408	0.3
179.05835	0.4
191.05666	0.6
224.09258	0.3
233.06557	0.4
255.41412	0.3
293.08826	0.6
305.12375	1.9
306.12897	2.5
393.09625	0.3
437.16663	6.3
438.17047	17.7
461.97565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.5
61.87721	0.7
67.01912	0.7
69.25863	0.8
71.01389	3.8
73.02957	1.1
80.05006	0.8
81.03453	1.8
83.05025	9.7
85.02941	1.4
85.36366	0.7
89.02455	1.5
92.02012	0.8
92.14720	0.8
93.03439	1.8
101.02452	3.7
113.02454	1.4
125.07312	0.8
134.03740	4.2
135.04477	1.3
155.10655	1.3
160.01666	3.0
168.40015	0.8
172.91328	0.8
173.04526	1.0
175.03915	0.8
176.01210	0.7
191.05659	10.5
193.05037	2.9
207.15094	1.2
224.17732	1.9
224.96228	0.8
225.16106	6.5
226.44881	0.8
333.23163	1.3
398.49496	0.9
433.31842	4.2
437.20554	1.7
451.32968	100.0
452.33331	1.9
497.22397	1.5
497.27249	1.0
497.33133	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	497.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71559	38.6
58.57559	41.8
66.17612	36.0
78.18695	47.1
122.75639	49.4
175.07582	53.8
267.21326	52.4
278.18326	45.6
280.32584	52.8
430.34470	55.6
461.36264	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	497.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47633	2.7
55.78030	2.4
59.01397	6.3
63.30088	2.8
65.69813	2.9
70.18569	2.9
75.79128	2.6
82.79564	2.5
84.50938	2.7
124.74593	2.9
125.19102	3.0
159.35966	3.2
165.64903	3.4
196.32040	3.3
225.09244	13.6
335.51294	3.2
337.18140	13.1
423.14963	3.3
453.30771	3.6
460.63324	3.2
481.26099	5.0
497.29269	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	497.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	0.3
57.03451	0.4
58.75621	0.3
61.32735	0.3
81.03472	0.7
83.05026	2.7
83.81060	0.3
84.02184	1.4
85.02940	2.6
111.04567	0.6
141.07133	0.4
167.08589	0.4
181.10226	2.6
188.75049	0.3
210.26891	0.3
211.07654	2.0
212.08397	0.4
213.09302	2.7
225.09251	18.6
226.09996	2.2
319.16983	0.6
321.18613	3.2
325.21729	0.6
337.18161	11.2
339.19791	1.6
353.21384	0.5
467.24857	0.6
481.26071	7.5
482.26697	1.2
497.29181	100.0
498.29703	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	497.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70469	0.4
52.65367	0.4
56.46958	0.4
57.20603	0.4
67.01894	1.9
77.46714	0.4
81.03477	0.5
83.05054	3.5
85.02941	1.1
90.76394	0.4
102.78235	0.4
109.47800	0.5
111.04535	1.0
142.77612	0.5
142.89944	0.5
144.75768	0.5
145.44780	0.5
171.75040	0.5
181.10254	2.3
205.58177	0.4
211.07651	2.6
213.09219	3.0
217.55734	0.5
225.09235	18.4
226.09955	2.3
319.17130	0.6
321.18460	4.3
337.18130	11.7
353.21295	2.2
387.82666	0.5
467.24747	0.6
481.26062	9.2
482.26648	0.8
497.29181	100.0
498.29459	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3283
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
57.07558	0.8
59.52474	0.9
71.56078	1.0
76.21598	0.9
125.06104	12.2
137.02502	1.3
162.03105	1.2
163.04012	1.1
166.02705	3.9
205.05161	2.1
205.08606	6.7
219.10237	1.0
221.08231	12.9
222.09019	6.8
231.06699	1.4
233.08186	5.3
235.09750	4.2
245.08185	1.3
245.15364	1.8
247.09761	35.6
261.14871	2.3
271.13373	2.0
275.13040	6.7
277.52853	1.1
289.14508	88.4
290.15512	3.8
292.13745	1.0
301.14484	4.6
303.16055	4.7
373.20163	4.7
385.20282	30.9
391.96799	0.9
411.25363	1.1
413.23108	1.4
497.32825	100.0
498.32861	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	497.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19303	0.7
54.83107	0.8
55.01895	1.8
57.03459	1.7
58.00610	1.9
59.01385	83.5
61.98853	1.2
63.85735	0.7
69.03467	5.1
71.01382	72.2
72.64402	0.8
72.99327	4.0
73.02948	17.3
73.03310	1.3
74.62657	0.7
75.00874	6.4
81.03474	3.3
83.01418	5.0
85.02947	8.9
87.00909	1.5
89.02448	100.0
95.01382	1.2
97.02953	9.1
99.00892	20.4
99.04510	1.4
101.02453	22.4
111.00930	0.8
113.02451	6.7
115.04034	6.5
119.03461	1.9
125.02451	37.5
131.03494	8.4
143.03526	3.4
143.10794	60.0
149.04562	25.9
153.05653	1.7
155.10776	1.1
157.12383	1.8
164.42085	1.0
169.12399	0.9
173.04489	0.9
185.11850	2.0
185.46942	0.9
191.05653	10.0
215.12932	1.1
226.00920	0.8
233.06705	18.3
275.07928	1.5
293.08820	65.2
299.78021	0.9
365.16238	1.1
389.37610	0.8
426.11813	0.9
497.27271	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	497.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05301	0.3
57.03454	0.4
67.01897	0.5
77.15650	0.3
80.21010	0.3
80.89360	0.3
81.03459	1.2
83.05042	2.2
84.02190	0.6
84.21367	0.4
85.02956	2.5
88.80663	0.3
91.22894	0.3
106.41521	0.3
109.43690	0.3
111.04537	0.6
181.10269	2.7
211.07669	1.8
212.08528	0.4
213.09258	3.3
225.09238	17.6
226.10034	2.5
308.28772	0.4
321.18665	4.9
337.18158	9.2
339.19711	1.4
353.21295	1.4
370.22784	0.3
388.78366	0.3
467.24802	0.4
469.29968	0.4
481.25992	5.8
482.26886	0.7
497.29181	100.0
498.29449	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
81.03479	1.0
83.05046	3.0
84.02173	1.4
85.02923	1.1
110.60612	0.6
164.71539	0.6
211.07669	0.9
213.09209	1.3
225.09242	16.3
226.10078	2.4
293.93069	0.6
321.18509	3.4
337.18100	7.3
353.21167	0.8
423.47824	0.8
469.29721	1.1
481.26236	5.7
482.26648	0.9
497.29184	100.0
498.29633	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	496.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56774	0.3
54.82949	0.3
57.55968	0.2
61.98837	100.0
85.58067	0.3
92.10782	0.9
117.03449	1.3
119.05029	0.5
122.14944	0.3
145.02980	10.1
163.03972	0.6
179.61247	0.3
246.28612	0.3
287.22406	1.0
318.53253	0.3
344.75137	0.3
433.26004	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	496.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
74.65356	0.2
80.01762	0.2
81.98753	0.3
100.62135	0.2
132.39359	0.2
175.47508	0.2
194.57904	0.3
240.71634	0.2
366.95236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88333	0.7
58.00616	0.8
59.01385	63.3
71.01380	39.5
71.01764	0.9
72.91382	0.7
72.99326	0.8
73.02943	17.9
73.03288	0.7
77.81812	0.7
77.87557	0.7
85.02966	4.1
87.00903	1.5
89.02441	100.0
99.00877	26.2
101.02438	31.9
101.03085	1.2
108.69865	0.7
113.02473	5.4
119.03495	1.1
125.02412	2.7
131.03477	10.8
143.03505	2.7
149.04562	47.0
161.04573	3.4
191.05644	14.7
193.88048	0.8
210.82390	0.8
218.90921	0.7
221.06688	5.5
251.07713	3.7
253.03860	0.8
293.08923	1.5
305.12418	1.0
311.09860	4.8
423.39813	0.9
437.16647	4.5
479.42111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.1
61.98832	91.0
76.58134	20.1
78.95895	17.6
117.03440	25.2
145.02963	100.0
270.12399	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	495.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84623	4.7
52.43197	5.2
57.85715	4.6
58.06850	4.8
58.79142	5.0
59.08620	5.4
61.03876	4.5
69.74557	6.0
78.31582	6.5
83.25684	5.5
100.73522	6.3
102.22005	5.8
109.23904	5.6
109.93546	5.6
111.81078	4.9
114.75705	5.3
117.03495	8.9
118.97805	5.8
119.05019	30.6
142.14540	6.0
145.02950	100.0
163.04041	24.3
184.76033	5.8
248.02573	5.6
260.00381	6.3
271.09116	6.3
313.23953	11.8
459.27710	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.362
Annotation	Unknow
Peak:m/z	Relative Intensity
83.13335	83.2
92.10129	88.7
168.00922	85.4
219.59297	100.0
253.48921	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58858	65.9
54.82593	82.4
63.61506	64.3
72.77151	69.4
119.72630	76.4
121.33003	77.3
171.81349	91.4
187.28571	100.0
196.46198	82.8
493.01428	82.8
511.93604	92.4
518.63739	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.06135	0.1
99.16398	0.1
101.55717	0.1
115.84431	0.1
117.03461	0.8
119.05028	2.0
144.14978	0.1
145.02963	6.7
163.04019	1.4
209.52316	0.1
269.21249	0.1
287.22290	0.6
309.21600	0.1
327.40347	0.1
388.21198	0.1
433.26035	5.6
450.20078	0.1
479.49011	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	495.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03457	0.5
59.01397	1.1
61.98850	0.2
62.26852	0.2
65.03969	0.5
66.63476	0.2
69.03464	1.0
71.01377	1.8
72.18787	0.2
72.99317	0.9
73.02962	1.1
81.03464	4.9
83.01378	2.1
83.05043	1.2
85.02950	5.0
86.00108	1.0
87.04524	0.5
88.01678	1.3
92.10135	0.9
92.17783	0.3
97.06606	0.3
99.00874	0.2
99.04498	1.9
99.79479	0.2
101.02455	1.1
101.06096	1.3
102.89575	0.2
103.04030	0.6
109.02966	2.7
126.03287	0.3
127.04028	2.6
144.04259	0.3
179.80315	0.2
271.20743	1.0
317.21069	0.5
335.22247	1.0
495.29758	100.0
496.30081	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	495.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10220	0.9
55.01896	2.7
56.58245	0.9
57.03462	1.5
58.00600	1.6
59.01387	91.8
59.73818	1.2
61.98840	5.6
62.66194	1.0
69.03461	1.3
71.01382	73.2
72.99319	1.8
73.02943	33.4
74.79350	1.3
78.95904	8.3
83.01409	6.7
85.02957	18.8
87.00888	3.0
89.02445	100.0
91.31756	1.1
93.03468	12.1
95.01363	2.2
96.95998	2.5
96.96968	2.8
97.02943	2.9
97.06602	2.9
99.00882	36.0
101.02438	50.3
102.38382	1.3
105.03380	1.2
109.02972	4.8
111.00892	1.6
113.02486	16.4
113.71021	1.3
116.92909	1.2
117.03510	1.7
119.03496	5.7
121.02972	2.7
123.04540	2.7
123.08189	1.6
125.02435	4.9
131.03497	12.1
133.02998	1.2
133.57329	1.2
134.03745	1.7
135.04572	1.9
137.02443	17.2
141.05586	2.0
141.09235	2.5
143.03554	2.3
145.02969	5.5
149.04572	35.3
150.03246	24.0
153.01910	2.2
153.05597	1.9
159.02931	1.3
160.01625	4.8
161.02473	2.4
161.04555	7.2
163.03973	1.5
165.05586	27.1
166.02718	2.3
175.03947	1.9
181.05064	5.1
191.05640	20.3
201.06981	1.4
221.06657	2.1
221.47511	1.3
241.04517	1.4
247.64111	1.2
251.07677	4.1
281.06720	19.2
293.08603	2.0
303.14517	5.4
311.09793	1.5
339.00455	1.4
361.98434	1.2
435.12833	2.8
435.18802	85.6
459.15280	5.7
483.99741	1.4
495.14539	10.2
495.20935	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	495.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98642	0.5
53.06046	0.5
55.01894	0.8
55.54452	0.6
57.03467	0.6
58.00622	1.5
59.01394	65.4
60.16778	0.5
60.29757	0.5
61.98818	0.7
64.14933	0.6
69.03472	2.9
70.41057	0.5
71.01395	48.2
71.05428	0.5
72.99327	2.6
73.02964	15.6
75.00880	1.3
81.03485	0.7
83.01411	3.2
85.02952	4.7
87.00901	0.9
89.02454	100.0
93.03459	0.7
97.02978	4.2
99.00886	24.3
101.02451	29.2
103.79046	0.6
109.03023	0.7
113.02465	5.9
115.04021	3.2
119.03487	2.7
125.02464	16.0
131.03500	10.8
135.04547	1.0
136.04410	0.6
138.60349	0.6
141.09229	4.4
143.03522	3.0
149.04573	42.6
161.04556	2.3
165.09277	0.7
167.77022	0.7
191.05617	12.4
221.06682	5.5
233.06717	6.9
235.11203	0.7
251.07707	3.0
275.07782	2.5
283.63156	0.7
293.08838	27.0
311.09930	7.6
495.25912	1.4
495.32657	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	495.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35843	0.6
58.00587	1.0
59.01386	26.6
60.54002	0.6
61.98825	1.6
63.54218	0.6
69.03473	3.1
71.01378	29.2
72.99339	0.9
73.02945	7.0
75.00874	1.1
78.42239	0.7
79.09247	0.7
81.03477	2.9
83.01398	2.7
85.02969	3.4
85.18169	0.7
89.02442	32.9
95.01375	0.8
96.96007	17.4
97.02956	4.8
97.06586	100.0
99.00872	7.0
99.04533	1.0
101.02419	6.0
113.02437	3.1
115.03996	3.9
125.02441	15.6
127.04029	1.0
131.03508	4.6
135.04535	1.6
136.50745	0.6
141.05583	27.3
143.03455	1.0
149.04599	6.6
191.05600	4.5
233.06702	13.0
273.84225	0.8
292.30923	0.9
292.59332	0.7
293.08832	41.4
435.15140	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82253	0.4
57.03479	0.5
58.00613	0.6
58.63168	0.4
59.01385	14.8
60.47390	0.4
61.42179	0.4
61.98840	1.6
64.37388	0.3
69.03453	0.6
71.01390	10.7
72.99352	0.4
73.02946	6.2
75.00878	7.8
83.01415	1.6
85.02956	4.3
87.00887	1.0
87.04514	5.3
89.02451	6.0
93.03478	0.7
95.01418	0.6
95.05027	0.5
97.02987	0.5
99.00925	0.5
101.02455	7.1
108.02196	4.3
108.41040	0.4
109.02962	18.7
109.03687	0.8
113.02435	3.8
113.29745	0.4
115.04027	0.7
119.03533	1.7
121.02962	0.9
123.00865	0.6
124.01646	0.8
125.02450	0.9
135.04457	0.8
135.08171	3.3
137.02446	0.6
137.06093	0.5
137.09724	16.6
139.04022	2.3
145.02957	0.6
151.00368	2.1
151.06133	4.3
151.11276	0.6
152.01146	4.9
153.01955	12.2
153.05537	2.0
153.25787	0.4
155.10794	100.0
160.01688	0.8
161.02434	1.0
161.04610	1.0
163.04024	0.4
165.05635	0.5
166.02740	7.0
169.12344	2.7
173.02368	0.5
175.03983	0.7
179.03619	0.6
181.05115	5.1
181.08705	2.2
188.17973	0.4
190.06323	0.8
191.05644	3.1
191.07117	0.6
193.05002	0.5
197.04503	0.6
199.09789	30.7
205.08789	0.5
213.11295	2.5
241.10889	9.3
253.05058	0.5
269.04623	0.7
297.04108	2.9
312.06470	3.4
315.07373	0.5
327.08792	4.9
342.11154	9.0
348.11630	1.9
357.13516	11.3
375.14612	3.0
401.15790	0.5
405.15610	5.1
417.15570	0.5
435.10886	4.2
435.15927	0.4
495.11682	9.2
495.20862	71.2
495.31058	4.6
496.21185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01388	27.6
61.98838	7.2
64.09956	0.8
66.83028	0.9
71.01376	19.7
71.73149	0.8
72.99318	1.5
73.02958	7.1
73.53027	0.8
75.00877	4.6
81.03454	1.5
83.01409	6.6
85.02956	9.3
87.00886	4.2
87.04530	5.9
89.02439	10.4
93.03455	6.2
95.01376	2.5
97.02934	1.5
99.00906	5.1
101.02437	14.7
107.04992	1.7
109.02967	5.6
111.00845	1.4
113.02458	9.5
120.02176	5.7
120.99529	1.5
121.02959	9.4
122.00087	1.3
123.00890	15.0
123.04567	1.5
123.08145	4.2
125.02453	2.2
127.00377	1.7
131.03529	1.2
134.48970	1.0
135.04524	4.9
135.08151	1.3
137.02455	28.4
137.09735	6.0
138.03246	19.7
139.00388	4.3
139.04033	1.8
145.02956	1.2
151.04025	1.6
153.01962	1.6
153.05588	100.0
155.03505	5.0
155.10796	38.1
156.11104	6.3
157.11394	1.8
161.02440	1.2
161.04504	1.3
166.99852	8.3
168.00754	1.0
179.03436	2.2
181.01416	10.5
182.02225	18.9
183.02991	8.0
191.05603	8.2
196.03705	2.2
197.04565	26.1
199.09807	19.2
200.10101	2.6
225.03990	1.5
241.10779	1.8
253.15962	11.4
271.17200	2.4
271.79257	1.0
277.21622	1.1
311.04233	2.0
326.06448	5.6
333.17175	8.1
341.08801	43.4
495.15057	52.5
495.22089	47.5
495.31473	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.98836	100.0
78.39241	0.2
86.22881	0.2
87.67342	0.2
92.10728	0.5
119.04999	0.3
125.83131	0.2
125.84106	0.2
139.97377	0.2
145.02966	1.4
159.58260	0.2
291.50250	0.3
315.10883	0.2
323.43359	0.3
371.48358	0.2
431.24515	1.0
457.77191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1513
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
57.03473	2.7
59.01387	40.7
61.98842	2.9
63.70895	1.1
68.01680	1.1
71.01383	44.9
72.99318	2.2
73.02952	22.4
77.56731	1.2
83.01407	6.0
85.02961	18.2
87.00904	2.8
89.02448	29.5
92.10164	2.4
93.03458	47.2
95.01416	5.2
96.99310	1.5
97.02953	1.5
97.06606	8.2
99.00875	11.4
99.32228	1.1
101.02448	34.4
108.02177	2.1
113.02471	17.0
119.03515	2.7
121.03024	2.3
122.03739	9.2
123.04536	7.8
131.03467	1.6
135.04515	5.1
135.06639	1.4
136.01659	4.6
137.02463	74.0
141.05595	5.6
149.02480	6.1
149.04578	5.2
150.03247	91.2
151.04019	1.1
153.05594	6.3
159.03047	1.3
161.02454	4.4
161.04599	5.8
163.02786	1.4
165.05585	100.0
166.02661	1.7
171.10220	1.1
180.04263	1.4
181.05127	1.5
182.02225	1.3
191.05638	2.3
197.04701	1.7
281.06705	67.5
303.14438	8.6
304.82297	1.3
345.26141	1.2
435.18835	46.1
459.14893	1.5
495.15121	55.0
495.21103	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	493.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98835	2.3
65.83094	0.9
73.02961	4.1
76.06702	0.9
82.27694	1.1
83.07591	1.0
97.13606	1.0
97.83115	0.8
98.66123	0.9
120.53449	1.0
159.43495	1.0
195.09377	1.1
195.52026	0.9
375.39236	1.2
482.26517	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	494.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28568	0.2
57.53133	0.2
59.99413	0.3
61.98834	100.0
66.57655	0.2
67.11505	0.2
73.48062	0.3
90.54600	0.3
117.03435	1.3
119.05048	2.4
145.02979	7.2
154.77902	0.3
158.57645	0.3
163.03947	1.4
181.08688	0.3
181.80927	0.3
222.55032	0.3
236.12981	0.3
314.68546	0.3
321.13214	0.3
431.24573	5.8
444.61917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3548
Annotation	Dendronesterol B
Peak:m/z	Relative Intensity
59.01385	100.0
61.80386	1.3
61.98835	11.3
73.02946	1.8
92.10160	2.4
112.34437	1.4
159.34065	1.6
164.90625	1.6
426.42081	1.6
455.31720	1.7
457.32834	1.8
493.35605	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	493.3543
Annotation	Dendronesterol B
Peak:m/z	Relative Intensity
57.03461	2.3
59.01380	33.5
59.01598	2.1
61.98836	8.5
68.39825	2.0
69.00130	2.0
109.65103	2.2
111.08160	36.5
112.81872	2.2
121.78342	2.0
127.11285	2.3
217.00467	2.1
317.24918	23.1
319.26486	16.8
475.34726	17.9
486.34326	2.3
493.28812	3.4
493.35452	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	493.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96748	1.1
59.01385	100.0
61.98833	27.8
66.74567	1.1
70.19764	1.0
73.02942	16.1
75.90701	1.0
76.38781	1.0
92.30178	1.5
145.03085	1.3
196.95985	1.9
224.37270	1.2
289.21542	1.1
374.09625	1.2
455.24094	1.3
457.33231	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	493.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.37269	4.6
61.98832	19.6
73.02948	5.0
105.87829	5.5
125.09702	11.4
179.80179	5.0
194.76523	5.1
198.13098	4.7
210.16042	5.3
211.43062	5.9
215.54254	4.9
252.43854	5.4
279.42792	5.6
457.32571	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	493.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86449	21.1
54.54283	23.0
56.10062	24.9
59.01407	25.3
78.00995	22.7
89.19164	25.9
92.10843	100.0
120.25425	30.9
124.28989	29.3
222.07375	27.3
240.46463	27.8
241.13951	30.0
271.02487	24.0
457.33371	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85291	3.0
53.50708	2.7
59.01397	7.4
60.69571	3.0
61.48569	2.8
63.35910	2.8
69.06266	3.0
75.91688	3.3
76.57698	3.1
101.95490	3.6
135.10222	4.2
341.80023	3.8
457.33301	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	493.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98844	2.5
73.02953	3.6
101.37558	1.8
147.68776	1.6
176.13058	2.0
191.08731	1.9
193.44958	2.1
199.07292	2.0
359.82016	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	493.3178
Annotation	24-epi-Makisterone A
Peak:m/z	Relative Intensity
54.62479	0.4
55.01908	0.5
57.03470	0.8
58.00611	6.1
58.76329	0.4
59.01386	2.5
67.01900	4.0
69.03484	0.4
71.01393	1.7
73.02947	4.7
81.03474	8.7
83.05038	18.6
84.02189	4.6
85.02966	5.0
89.62585	0.4
92.10734	1.2
93.03447	0.6
95.12301	0.4
109.02969	0.7
111.04535	11.0
242.39268	0.5
266.26413	0.5
271.20734	2.0
289.21875	2.3
291.23288	3.8
309.24100	0.5
317.21225	0.7
319.22885	2.0
349.24197	1.6
389.73203	0.5
461.29071	0.9
463.30756	0.5
475.31161	0.6
493.31839	100.0
494.31995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59722	0.4
55.01891	1.0
57.03464	0.5
59.01386	69.7
61.98845	2.2
71.01379	25.1
72.99324	2.6
73.02944	7.5
75.00881	1.1
83.01408	2.5
85.02951	8.3
87.00879	1.1
87.04524	2.9
87.63354	0.4
88.98847	0.6
89.02443	26.7
93.03482	1.8
95.01382	0.8
96.96006	9.9
97.02952	0.6
98.74811	0.5
99.00890	2.8
101.02441	17.5
110.39287	0.4
111.80643	0.4
113.02448	9.9
119.03498	8.7
124.01633	1.0
125.02442	8.6
131.03490	0.7
133.02975	0.8
134.03709	0.5
135.04539	2.1
135.08211	0.7
137.02434	0.5
137.09734	8.8
138.10129	0.5
143.03525	1.7
149.04544	0.8
149.99596	2.7
150.03288	0.7
155.10803	100.0
156.11089	1.1
159.02888	0.5
159.10316	0.8
160.01643	0.5
160.04044	0.6
161.02473	2.3
161.04590	6.1
165.05539	0.5
168.00668	5.1
173.04541	0.5
177.02020	0.4
179.05580	6.2
191.05637	5.6
199.09793	66.4
200.10155	0.6
233.06718	0.7
241.10907	2.2
253.18385	0.6
271.19165	0.6
293.08731	1.9
314.15891	0.6
321.15573	4.1
331.06903	3.7
377.29147	0.5
389.31720	0.5
415.23511	5.1
422.44464	0.6
433.24512	12.2
493.10022	5.2
493.18729	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	493.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82772	0.6
55.01876	0.5
56.54118	0.5
57.03452	1.0
58.00608	1.0
59.01386	48.1
61.98839	0.9
63.81470	0.5
71.01381	18.7
71.56086	0.5
73.02952	7.1
74.73354	0.7
75.00876	0.5
81.77734	0.5
83.01374	1.4
83.03754	0.6
85.02948	6.0
87.00893	0.7
87.04504	1.0
89.02443	22.8
89.03006	0.8
91.79993	0.7
92.10116	1.8
94.67693	0.5
95.01401	0.8
96.95995	5.5
97.02991	0.6
99.00896	3.6
101.02435	11.7
113.02451	7.1
115.04018	1.1
119.03516	5.4
119.04990	0.8
120.99596	0.6
123.00996	0.6
124.01685	0.9
125.02451	5.9
131.03488	1.0
133.02948	0.8
135.08180	1.3
137.09743	9.4
143.03497	1.1
149.02411	1.4
149.04538	2.4
149.99614	2.4
150.03229	7.1
151.00357	1.3
152.67563	0.7
155.10788	100.0
161.02449	1.1
161.04559	4.0
165.05586	7.8
166.02708	3.3
168.00679	3.3
175.04001	1.3
179.05579	5.3
181.04999	2.7
181.08670	0.7
191.05615	3.2
193.05086	2.5
195.06555	0.6
199.09785	64.9
208.07422	1.3
223.09747	1.2
241.10927	0.9
293.08762	2.8
321.15601	5.7
331.06625	2.3
415.23294	5.8
433.24551	5.8
493.09833	3.1
493.17950	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	493.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80292	0.2
56.91031	0.1
57.21463	0.2
59.01389	1.5
64.40705	0.2
66.40273	0.2
71.01387	1.4
73.56200	0.2
73.76662	0.2
78.77968	0.2
78.95900	4.9
79.95747	1.3
89.02435	1.9
92.10729	0.3
96.96011	100.0
96.96914	8.6
101.02426	0.3
114.63805	0.2
120.34347	0.2
123.00846	0.2
124.01661	0.5
125.02435	1.4
137.91446	0.2
139.04008	0.9
159.97789	0.2
177.27509	0.2
208.25812	0.2
233.06674	0.3
266.16690	0.2
293.08746	1.2
363.85153	0.2
433.13828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31794	0.3
56.46373	0.3
59.01384	4.7
61.98831	3.7
71.01386	3.2
73.02947	0.7
78.95915	2.2
79.95737	1.5
83.01427	0.4
85.02950	1.4
87.00896	0.6
88.98824	0.4
89.02442	2.4
93.03431	0.4
96.96014	100.0
96.96896	3.9
99.00903	1.2
101.02449	1.8
106.06664	0.3
109.59453	0.3
113.02464	0.6
116.92859	0.5
117.03439	0.4
119.03536	0.4
119.05049	1.3
125.02468	0.4
126.95533	0.3
135.04579	0.5
137.02460	0.4
138.05626	1.1
139.05952	0.5
145.02969	2.6
161.02467	0.4
163.04024	1.7
164.04593	0.3
167.77025	0.3
173.04576	0.6
187.04092	0.4
189.07706	0.5
191.05618	2.1
207.40706	0.3
228.18423	0.3
417.17728	0.5
447.19220	0.4
457.13675	0.6
460.47208	0.4
461.16605	0.5
493.19217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10793	100.0
114.21706	25.0
118.07848	24.9
138.17572	24.6
193.20540	25.3
455.35168	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41960	0.2
53.12045	0.2
55.01886	0.3
58.00596	0.2
59.01382	5.7
59.01654	0.3
59.68330	0.2
61.98830	3.9
68.01408	0.5
69.03461	0.4
70.02981	0.2
71.01379	4.8
73.02950	1.1
85.02951	0.5
89.02435	6.6
97.02984	0.3
99.00894	2.1
99.66447	0.2
101.02448	1.4
113.02479	1.0
115.04017	0.9
123.02426	0.4
123.03262	8.1
124.07652	0.4
125.02445	2.5
131.03502	0.5
137.04890	0.2
138.02095	1.6
138.05614	100.0
139.05940	0.2
140.07219	0.2
143.03561	0.3
143.99544	0.2
149.04597	1.1
152.07204	0.4
168.06696	0.3
180.06737	1.6
191.05580	0.5
233.06670	2.2
293.08798	3.2
300.10849	0.9
322.07150	0.2
432.15155	29.8
433.15421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85461	49.3
53.66877	50.0
63.44287	53.3
76.74683	56.4
89.99602	69.0
101.06130	62.8
107.95519	67.0
116.21952	66.5
127.56219	61.2
287.08362	82.1
388.99792	70.9
423.03473	59.1
445.69467	67.3
488.82544	69.7
491.29608	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	491.294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85576	12.8
52.45850	10.5
57.03458	13.8
59.01388	86.7
61.98839	100.0
67.67066	11.9
94.14819	14.5
145.02982	28.4
169.30965	14.1
359.58664	13.7
453.22568	23.9
491.29315	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	491.294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67843	13.1
59.01398	100.0
61.86191	12.5
63.89621	14.5
73.02956	18.8
77.63235	16.0
97.06604	24.5
97.68456	12.9
134.07565	16.3
491.34018	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	491.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65413	7.9
59.01375	15.5
61.38210	5.1
87.48590	5.8
89.46431	6.5
90.88905	7.2
92.10104	12.1
92.76094	5.7
132.02150	8.4
133.02954	32.2
134.03728	27.6
160.01654	81.1
161.02406	6.1
175.04008	83.0
217.49718	6.4
222.11131	6.6
315.25421	13.8
319.15237	8.1
491.29971	100.0
512.48676	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25287	15.5
57.65749	20.2
58.60401	19.5
59.01384	38.4
59.74944	18.2
63.18096	19.6
69.05934	17.2
73.02962	100.0
73.73540	19.7
92.10823	41.7
97.53638	18.0
110.65068	20.8
111.63485	21.5
112.09048	20.4
164.68970	22.4
175.04076	24.7
187.12831	23.4
467.97696	21.9
491.29312	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	100.0
61.98855	84.8
98.63719	14.0
104.73638	18.4
105.14738	15.7
222.76591	15.5
289.42001	15.3
431.31274	29.7
455.31555	32.2
491.29813	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	6.2
58.87699	5.9
59.01388	100.0
62.34453	5.4
66.16127	6.0
78.14394	6.8
87.04529	13.6
93.03465	26.5
104.28222	7.3
138.83849	6.3
171.10243	8.2
173.04518	14.9
176.50331	6.5
275.20111	44.6
281.74091	6.2
293.21201	54.8
351.47723	7.1
353.21201	6.7
355.71866	6.3
427.42300	7.0
431.31894	48.3
491.33945	30.2
491.57825	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	491.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22268	0.9
54.82679	1.3
59.01392	100.0
68.56348	1.4
109.02940	1.6
121.03027	1.3
127.28429	1.2
135.04543	2.7
159.04417	1.6
191.05635	1.5
197.05785	1.4
205.08588	1.7
217.08684	1.9
246.79636	1.2
255.10414	1.8
288.77658	1.3
337.18262	2.3
353.21274	34.9
365.13937	2.8
371.22440	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	491.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.4
61.98846	3.4
63.96252	0.7
71.01406	3.5
72.97530	3.5
72.99313	0.6
73.02945	0.7
73.93278	0.5
75.00890	0.7
76.56775	0.6
78.82045	0.4
80.36829	0.6
82.03030	0.4
82.03589	0.4
85.02979	1.0
87.00857	0.5
87.38908	0.5
89.02460	2.8
92.05093	0.4
92.10049	0.8
93.03471	3.6
94.65398	0.5
96.96030	2.2
97.06590	0.7
98.95644	0.5
99.00884	0.5
99.55604	0.4
99.92574	1.2
101.02465	2.5
102.98584	3.6
106.06629	2.6
107.06984	0.9
113.02454	2.0
114.38040	0.5
115.63195	0.5
115.92066	1.1
116.92867	3.6
119.03514	0.8
119.05013	0.8
120.99658	100.0
128.10622	0.5
134.06139	0.8
134.97574	0.7
135.04538	1.2
135.98318	0.8
145.02995	3.1
150.05595	0.7
151.06058	0.7
160.04095	0.6
161.02603	0.9
161.04729	1.1
161.06113	0.7
162.05615	2.3
163.04027	0.8
170.21259	0.5
191.03780	0.6
191.05569	3.5
193.03740	1.9
203.90878	0.5
205.05083	0.6
214.08920	0.7
257.09479	5.3
265.07330	0.6
269.09470	1.9
271.02487	0.6
283.04984	2.6
285.12482	2.4
311.10345	3.2
329.11502	5.9
371.12637	1.1
431.14642	2.9
455.15814	1.2
491.20026	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81853	0.3
55.01894	0.4
55.08635	0.4
59.01391	2.8
67.14955	0.4
69.03473	0.5
69.45734	0.3
71.01381	6.1
73.02947	10.4
75.00867	6.1
79.18050	0.4
79.68095	0.4
87.00857	3.8
89.02447	26.8
92.36477	0.4
103.04029	5.3
105.01962	0.7
131.03531	5.6
149.04578	100.0
150.04871	0.5
179.05685	0.6
191.05556	0.7
199.38637	0.5
249.82187	0.4
263.08301	0.5
362.52493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
57.03458	1.6
58.00600	0.9
59.01387	95.8
60.59320	1.0
61.98835	62.6
69.03454	2.1
71.01379	55.3
72.99320	1.9
73.02951	15.7
83.01404	2.8
85.02959	15.9
87.00906	2.3
89.02444	69.3
92.55280	1.1
96.96040	3.0
97.02940	2.5
99.00888	20.9
101.02437	34.9
107.05038	1.5
111.00917	1.7
113.02463	16.9
115.04036	3.0
119.03528	10.7
125.02457	5.2
131.03505	6.7
137.06110	2.3
137.48050	1.3
138.03238	5.6
139.60881	1.2
140.11337	1.1
143.03506	1.7
149.04523	12.5
153.05577	36.1
161.04581	9.3
161.92854	1.2
179.05679	1.6
183.06648	5.3
191.05614	7.5
197.04553	1.9
197.08197	1.4
233.06769	5.5
293.08844	3.0
297.38745	1.3
299.11389	12.7
431.15665	100.0
431.22549	7.1
491.16656	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08860	0.7
55.01896	0.7
57.92846	0.7
59.01390	26.2
61.98842	3.5
69.03476	0.9
69.90523	0.6
71.01384	18.9
72.99359	1.1
73.02943	9.0
76.54020	0.7
81.03487	0.8
83.01427	2.9
85.02956	5.0
87.00889	1.5
88.34277	0.7
89.00347	2.9
89.02448	28.0
91.01929	0.9
92.10074	1.0
93.03492	1.0
96.96040	4.7
97.02952	1.2
99.00880	13.7
100.32243	0.8
101.02460	12.0
106.00629	3.0
111.00901	1.7
113.02517	5.0
113.03160	0.6
119.03529	1.0
119.05017	3.0
121.02961	64.3
123.00884	4.1
123.04523	1.5
125.02443	6.4
127.00440	0.9
131.03503	4.3
135.04442	0.9
136.01662	1.0
136.90755	0.7
137.02467	3.2
138.03249	4.1
139.00389	1.0
139.04060	0.8
140.49176	0.8
149.04610	7.1
149.05762	0.9
150.06461	0.7
151.04002	0.9
153.02052	0.7
153.05586	45.8
161.04597	3.5
163.04024	0.9
164.77803	0.7
165.01967	1.6
166.99918	3.3
167.03545	2.8
173.43034	0.7
181.01408	1.0
182.02219	12.4
191.05661	4.1
196.03795	0.7
197.04578	100.0
209.04674	1.0
219.91022	0.9
223.27927	0.7
224.03236	1.1
224.55464	0.7
233.06671	3.9
239.05594	6.9
265.99432	0.8
293.08826	5.3
299.11249	1.2
344.34879	0.8
431.15927	12.1
491.12994	1.0
491.18753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
69.03452	0.3
71.01386	3.0
72.34071	0.2
72.97519	1.0
72.99304	0.3
73.02956	0.6
75.00874	2.2
78.95893	3.0
79.95728	1.6
85.02958	0.6
89.02444	3.5
92.10770	0.9
96.96011	100.0
96.96896	4.7
97.02971	0.5
99.00897	0.6
101.02458	0.9
107.85172	0.2
113.02419	0.4
115.04018	0.5
116.41729	0.2
120.99632	0.4
122.03721	2.0
125.02393	1.0
133.02966	1.0
135.04466	0.5
137.06068	0.3
149.04529	0.3
150.77098	0.3
161.02466	3.4
161.04675	0.4
161.52943	0.3
162.05608	1.0
169.01659	0.2
191.05609	0.9
193.03809	0.3
201.73647	0.2
214.08681	0.3
233.06657	0.5
241.06248	0.4
257.09311	1.9
269.09366	0.6
285.12585	0.3
293.08932	2.1
311.10321	1.2
329.11438	0.9
353.11545	0.3
371.12540	0.5
447.12604	0.3
480.15631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1205
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
59.01389	2.3
69.03468	0.6
71.01394	2.8
72.59064	0.4
73.02970	0.6
81.03480	2.3
81.97153	0.4
85.02964	2.4
91.05498	0.5
93.03456	2.1
95.01409	0.6
97.02966	0.5
101.02466	0.8
102.98621	0.6
108.02180	90.6
109.02957	66.5
113.02492	1.0
117.03445	0.9
120.99655	7.7
121.02931	0.7
123.00871	2.5
123.04547	0.8
132.02184	10.9
133.02960	7.0
134.03741	15.0
135.00897	4.0
135.04529	4.5
137.02432	2.0
149.02406	0.5
149.06088	0.7
151.04018	0.6
152.01163	97.3
153.01944	43.6
160.01666	52.7
161.02449	22.4
163.03976	1.0
165.01981	0.6
167.03455	0.9
175.04010	35.6
179.03485	2.7
193.05067	5.9
210.96266	0.6
228.92804	0.5
243.06683	0.5
256.51569	0.5
263.43115	0.5
315.03690	1.0
315.07272	23.6
323.07803	3.0
337.09344	1.8
447.13052	2.1
459.09528	1.0
462.61758	0.5
474.08148	0.5
491.12036	100.0
492.12158	0.8
498.02625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3594
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
50.17221	0.4
58.41621	0.5
59.01384	4.0
65.75233	0.5
71.05015	0.5
89.16182	0.5
92.10765	0.7
92.66178	0.5
119.05035	1.1
145.02953	5.2
175.03973	0.7
193.54445	0.5
195.66664	0.6
221.15512	1.1
223.17078	3.8
249.18561	1.2
267.19559	0.7
287.20163	1.2
289.21671	2.3
327.09961	0.6
411.32767	2.4
425.34329	1.2
427.35873	85.3
428.36072	1.2
445.36255	2.6
453.22742	2.9
471.34637	0.9
489.35950	100.0
490.36389	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	489.3596
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
51.59584	1.4
54.82771	1.0
57.03438	0.9
59.01388	10.9
67.01905	1.7
71.88093	1.0
83.48287	1.0
87.00897	2.0
93.03467	12.6
130.57201	1.1
135.04628	1.5
170.93906	1.2
173.04602	5.6
174.73488	1.0
290.00415	1.1
302.99994	1.1
390.18414	1.2
392.94757	1.1
404.81506	1.0
429.33905	1.6
471.31079	1.5
489.17914	5.5
489.36209	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	489.3595
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
52.97012	0.6
53.01300	0.5
56.32585	0.5
57.03459	1.3
59.01392	7.6
61.10680	0.6
66.94601	0.6
71.01398	0.6
72.02169	0.6
73.02983	0.7
79.37159	0.5
80.29337	0.5
83.23225	0.6
85.02959	1.1
87.04524	27.8
87.05062	0.9
92.10082	1.1
129.13409	0.6
145.02924	1.0
153.09215	0.7
370.12433	0.7
414.81226	0.7
453.22205	0.8
489.35977	100.0
490.36545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85945	0.3
59.01389	0.5
62.98684	0.3
69.74469	0.3
95.05008	0.4
100.02885	0.4
105.03483	5.2
117.03479	0.6
121.02925	0.6
132.02165	10.8
133.02956	28.6
134.03735	22.0
135.04521	6.9
137.02409	3.1
139.04001	2.0
148.05336	2.9
149.06085	0.8
155.10820	0.6
160.01660	67.2
161.02449	12.8
161.06052	2.8
171.10184	0.6
173.89244	0.4
175.04012	100.0
177.01988	0.6
178.02718	2.0
179.03526	2.9
182.24756	0.3
193.05069	7.1
194.02245	0.6
205.88762	0.4
233.08221	0.5
247.09749	3.7
294.19290	0.4
295.22870	2.2
313.23914	12.8
331.15546	6.1
373.20239	0.5
387.21811	4.4
388.05280	0.4
389.27081	2.7
401.23276	0.8
407.06320	0.4
457.26132	5.7
489.28662	64.4
489.34995	2.5
490.28745	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	489.3592
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
51.10438	0.6
57.03468	2.6
59.01158	0.7
59.01382	5.2
61.84936	0.5
63.30263	0.5
72.35363	0.6
84.57578	0.7
89.46365	0.6
94.11012	0.7
96.96021	0.9
100.42023	0.6
153.09282	0.7
174.85240	0.8
216.16763	0.6
270.76529	0.7
401.34698	1.1
427.32440	1.1
445.33643	4.0
471.31818	1.4
487.34689	3.6
489.36292	100.0
490.36594	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	489.2116
Annotation	Justin C
Peak:m/z	Relative Intensity
52.11722	3.7
57.07835	4.2
59.01388	10.2
63.81042	3.9
71.01383	19.9
73.02956	9.3
85.02959	10.3
89.02462	8.4
92.08707	4.6
101.02446	25.7
113.02512	4.9
191.05591	20.2
207.42159	5.2
321.19348	8.5
370.85220	5.2
415.89438	5.2
453.23480	96.9
489.14578	9.5
489.21039	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	489.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54318	0.3
50.95752	0.3
51.03444	0.2
51.03688	0.3
51.30366	0.3
52.87474	0.3
59.01384	7.1
67.39711	0.3
75.40945	0.3
77.03952	0.3
78.95906	0.8
89.03989	0.6
95.05009	1.2
105.03461	5.4
106.04242	0.4
117.03481	1.4
120.01752	0.3
121.02995	0.5
123.04518	0.5
123.12428	0.4
132.02173	13.7
133.02963	29.3
134.03748	26.0
135.04541	8.7
137.02440	5.2
139.03978	1.7
145.02943	0.6
148.05339	3.1
149.02460	0.5
149.06076	1.7
150.03268	0.5
152.99577	0.4
154.64369	0.3
155.10773	0.4
160.01678	71.6
161.02473	14.7
161.06107	2.8
166.63493	0.3
171.10207	0.5
175.04024	100.0
176.04338	0.5
177.01942	0.8
178.02713	2.2
179.03502	4.0
193.05064	10.0
194.02193	0.6
214.80504	0.4
233.08215	1.5
247.09766	4.2
261.11411	0.5
289.14368	0.4
292.66336	0.4
295.22748	2.2
303.16043	0.7
313.23932	13.3
331.15521	6.8
352.38580	0.3
373.20377	0.8
387.21893	2.9
389.26804	2.0
401.23334	0.6
457.26120	5.8
489.28668	62.1
490.28937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.2
57.03463	3.1
58.52770	1.6
59.01392	95.5
61.98837	2.6
67.34617	1.4
69.03462	2.8
71.01394	69.6
73.02949	28.6
75.00899	2.2
83.01413	3.1
85.02960	17.6
87.00912	3.6
89.02454	83.0
95.01418	1.8
96.96011	13.9
97.02953	6.8
97.28592	1.7
99.00889	29.7
101.02456	39.7
113.02463	13.0
115.04044	3.5
116.92860	6.9
119.03529	12.5
125.02464	9.3
131.03508	10.6
139.90265	1.7
143.03529	1.7
145.02924	2.0
146.35379	1.6
149.04575	22.8
161.04553	8.0
177.09238	3.1
191.05637	13.3
195.10405	2.1
205.05064	2.3
233.06783	2.7
251.07649	1.9
293.08804	3.2
301.19278	1.7
357.15668	10.6
489.19962	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	489.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04867	0.2
55.01891	0.9
57.03448	0.5
58.99614	21.1
59.01107	0.4
59.01389	7.7
65.15942	0.2
70.83600	0.2
71.01385	12.0
72.65887	0.2
72.99332	0.3
73.02944	3.0
73.03265	0.2
74.99110	1.0
83.01385	1.9
85.02956	6.3
87.00887	12.3
89.02453	4.8
90.57758	0.3
95.01373	1.7
97.02984	0.3
99.00867	1.2
101.02451	7.5
102.98608	100.0
113.02458	5.8
119.02731	0.3
119.03515	1.2
120.99644	0.5
125.02448	0.3
137.02368	0.2
137.09703	3.3
143.03534	0.3
145.02994	0.4
159.03001	0.5
161.02454	0.4
161.04561	4.4
163.04012	0.3
179.05615	0.4
191.05685	1.8
205.07043	0.4
212.02737	0.2
249.06233	4.5
269.44623	0.3
283.04993	66.9
297.03809	0.3
310.27640	0.3
429.17615	1.0
487.03058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14645	1.9
59.01386	38.3
59.21467	2.3
62.54873	2.2
64.04208	2.4
67.01908	9.2
69.03471	4.4
69.45737	2.2
71.01363	3.1
72.29243	2.3
72.61218	2.1
74.05566	2.3
74.21696	2.2
78.68851	2.7
87.00894	10.4
93.03464	49.3
93.04029	3.5
108.02174	2.7
109.02960	2.5
113.68428	2.7
121.02948	3.8
124.01672	11.0
133.02986	5.1
134.03740	14.5
135.03490	4.1
135.04527	100.0
135.05502	5.1
144.13512	2.3
150.03249	3.8
151.04027	15.3
173.04622	11.6
179.03514	25.4
191.05684	21.9
191.07112	2.8
237.22704	2.5
304.93762	3.1
308.09091	18.7
311.05704	2.8
352.08090	15.2
489.17538	4.8
489.32321	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	489.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03444	0.9
58.99609	20.8
59.01385	8.5
59.01682	0.3
71.01379	12.6
73.02946	3.3
74.99100	0.9
80.63418	0.2
83.01389	1.3
85.02948	5.3
87.00875	12.2
89.02441	4.9
95.01398	1.0
99.00887	1.0
101.02438	7.4
102.98596	100.0
113.02454	5.8
118.29110	0.2
119.03510	1.6
120.99643	0.4
121.06583	0.4
133.97691	0.2
135.04411	0.2
137.02403	0.2
137.09724	4.7
143.03482	0.5
144.19972	0.2
145.02896	0.3
159.02937	0.9
161.02518	0.3
161.04564	5.1
179.05649	0.3
191.05547	0.3
205.07152	0.3
249.06172	4.8
283.04956	63.5
367.22089	0.3
429.17792	1.9
445.69540	0.2
505.82907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82779	1.2
55.01897	1.4
55.34251	1.1
59.01385	26.7
61.69802	1.0
61.98838	8.0
63.08969	1.0
63.98140	0.9
70.80153	1.0
71.01380	13.6
73.02960	1.5
85.02966	7.0
89.02450	12.8
101.02441	8.9
113.02446	2.7
117.03461	4.7
119.03517	1.9
132.02193	15.8
132.03104	1.9
133.02898	1.7
134.03751	50.1
147.04533	1.3
148.05280	1.3
149.06087	6.8
151.06110	6.2
160.01675	100.0
175.04021	88.5
176.04829	9.3
177.01863	1.6
178.02650	2.6
178.29498	1.2
181.23888	1.1
191.05603	2.4
191.07098	15.3
193.05083	56.3
207.06573	5.8
220.03914	1.9
225.05473	1.3
235.06140	31.9
260.08255	1.2
265.07111	2.8
269.04611	2.3
295.08228	2.6
355.10303	1.7
363.93832	1.2
401.24695	1.2
489.16153	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82552	0.2
57.35335	0.2
58.07278	0.2
59.01383	2.9
69.03455	0.3
71.01382	3.2
73.02962	0.5
83.01382	0.3
85.02944	0.4
89.02441	5.5
93.03452	5.9
97.02938	0.8
99.00873	0.8
101.02451	1.0
108.02166	1.6
113.70003	0.2
119.05016	0.4
120.02155	0.3
125.02432	1.8
125.32263	0.2
127.88572	0.2
131.03514	0.3
134.03720	0.3
134.89514	1.0
135.04530	100.0
136.04861	0.4
149.04533	0.9
167.07187	0.3
191.05655	1.2
232.58998	0.2
233.06689	1.7
293.08820	10.6
409.35327	0.2
450.69778	0.2
451.18350	2.0
453.18942	0.3
489.15814	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83387	0.5
55.01893	0.9
57.03464	0.6
59.01383	23.5
61.61045	0.6
61.98833	15.6
64.35095	0.7
69.03461	2.8
71.01386	24.0
72.99319	2.6
73.02934	9.3
75.00846	0.7
81.03477	1.2
83.01393	2.3
85.02958	6.9
86.00122	1.0
87.00886	10.3
89.02447	21.2
92.10755	1.4
93.03453	3.1
95.01398	0.9
97.02948	3.9
99.00871	5.5
99.04503	0.8
101.02438	9.5
111.00920	0.7
113.01711	0.7
113.02409	6.7
115.04029	3.0
117.03463	2.3
119.05006	6.2
120.05380	0.7
121.02953	4.3
125.02426	8.3
131.03503	1.4
132.02199	2.3
133.06668	1.0
134.03752	6.9
135.04526	100.0
145.02948	8.2
146.03294	4.0
147.04558	1.4
149.04575	4.3
149.06082	2.5
160.01659	8.1
161.04620	1.2
161.06004	1.4
162.54578	0.7
163.04016	4.2
164.04395	0.9
175.04047	6.2
189.05429	0.7
191.03487	1.3
191.05626	3.3
193.05077	9.7
193.54922	0.7
207.06747	5.5
233.04550	0.9
233.06656	6.2
291.07202	0.9
293.08844	9.7
297.09875	7.1
427.06873	0.9
429.14056	43.3
451.18274	0.8
489.15829	13.8
494.05655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14259	0.4
59.01386	5.5
61.98833	5.7
69.43862	0.4
71.01387	2.7
72.99307	25.0
73.02964	1.0
85.02952	2.1
85.71336	0.5
87.03017	0.5
89.02452	2.3
91.05527	0.8
92.10815	1.0
95.29595	0.5
101.02467	1.0
113.02428	0.9
116.92847	0.8
117.03491	5.9
119.05023	15.4
135.04515	5.9
135.06671	0.9
145.02969	18.9
147.04539	47.7
148.04892	0.6
149.06107	1.2
159.04485	1.2
161.06064	6.1
161.64569	0.6
163.04021	18.2
177.05569	2.5
189.05542	1.0
191.03526	40.1
205.05089	5.8
209.04565	16.1
213.78613	0.6
233.04633	10.2
251.05594	8.6
265.07043	1.0
294.45178	0.6
311.07718	0.9
471.15091	1.2
489.16235	100.0
490.16504	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	489.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79705	1.3
51.94893	1.3
57.03457	9.3
58.96246	1.4
59.01385	32.7
64.29510	1.5
64.34660	1.4
71.01381	99.0
72.99308	37.6
73.02967	2.4
85.02945	22.9
87.00874	59.8
89.02424	17.0
101.02447	10.9
102.05588	3.1
113.02445	6.8
115.00392	29.1
119.03482	2.9
120.80278	1.8
127.03987	2.1
129.01942	40.9
133.01448	13.9
145.01451	3.3
146.04608	6.5
147.03008	100.0
147.06699	13.0
150.84901	1.7
165.04001	3.8
179.05579	6.8
191.05634	74.3
209.84030	1.9
295.56619	2.0
341.10974	29.5
411.66769	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	489.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91973	1.0
52.49488	1.0
59.01397	28.5
61.98835	3.0
71.01402	7.9
72.89034	1.3
72.97540	5.3
72.99295	1.9
78.31661	1.0
85.02943	1.9
87.00895	6.5
89.02443	17.8
96.96026	1.7
101.02465	1.7
106.09234	1.3
113.02462	1.9
113.49181	1.3
114.52797	1.2
119.05016	10.1
121.76810	1.2
133.05084	12.8
134.03752	100.0
134.89467	14.7
135.04524	4.8
136.01666	54.7
136.89240	1.5
146.08266	1.4
147.04514	4.6
149.06091	89.4
151.04027	66.9
163.03987	4.9
173.04532	1.2
179.03578	1.4
185.02205	1.5
191.03569	2.1
191.05617	6.9
193.05109	1.7
211.04419	1.4
211.06152	15.7
220.10878	1.3
241.38335	1.3
257.81427	1.2
267.08707	2.3
355.10446	6.9
373.11395	22.8
390.98322	1.2
445.13556	7.9
489.16187	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44339	20.3
53.27316	22.9
53.88797	20.2
57.38199	22.3
59.01387	25.1
63.00573	22.0
76.58009	26.9
92.10133	100.0
129.98964	27.8
223.26631	24.1
256.17447	28.7
432.01050	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1389
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
55.03091	2.0
59.01390	26.1
59.01614	1.7
62.76502	2.6
62.88679	1.9
69.03476	2.4
71.01382	24.8
80.29681	2.0
83.01417	2.3
86.53922	2.3
89.02444	33.8
92.10748	3.3
97.02965	3.2
97.06589	69.5
99.00892	10.9
101.02461	10.9
107.22530	2.3
117.31398	2.4
123.14348	2.3
125.02421	17.1
140.46123	2.8
141.05597	27.5
149.04601	4.1
233.06635	10.0
293.08844	43.9
391.71786	2.6
435.15167	89.6
453.16196	23.5
485.65601	2.5
489.13943	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	487.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48201	0.2
56.45918	0.2
57.03452	0.3
57.45349	0.2
59.01401	1.2
61.98856	0.2
66.75823	0.2
145.89876	0.3
154.09970	0.3
157.08701	0.3
165.12953	0.3
178.85834	0.3
185.41414	0.3
192.95761	0.4
379.29379	0.3
381.31610	0.5
393.31696	0.9
407.29758	2.1
409.31332	1.5
423.32956	0.9
425.30890	1.5
443.31747	1.2
457.33853	0.4
487.34506	100.0
488.34698	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3437
Annotation	Madasiatic acid
Peak:m/z	Relative Intensity
51.64601	1.1
51.77533	1.0
59.01389	7.9
60.99328	2.0
67.95347	1.3
71.85922	1.3
73.02966	1.9
79.17108	1.4
83.05080	1.4
96.13032	1.3
97.06596	1.3
189.12910	1.9
235.16998	2.6
305.17374	3.3
389.28503	1.8
391.29581	2.2
391.56165	1.6
405.31476	2.1
407.33685	2.6
409.31412	1.4
423.32755	20.6
425.29684	2.3
425.35205	12.4
443.31549	21.7
457.33194	1.4
487.34903	100.0
488.34116	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72627	0.3
51.21361	0.3
61.98841	0.4
72.52853	0.4
81.16137	0.3
91.35486	0.4
136.62553	0.4
142.75940	0.3
393.31717	0.9
443.31949	0.5
457.33557	0.8
487.34448	100.0
488.34946	1.9
500.47083	0.5
511.44293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Madasiatic acid
Peak:m/z	Relative Intensity
54.51299	0.6
57.03463	4.8
57.44789	0.5
59.01393	1.5
60.99318	0.6
62.37172	0.6
80.38079	0.6
92.10827	1.0
97.06611	1.2
109.54986	0.7
115.86663	0.6
116.74801	0.6
139.46500	0.7
139.72878	0.6
149.09686	0.8
178.68469	0.6
200.89696	0.7
203.69952	0.7
250.78917	0.7
274.41635	0.7
337.25598	0.7
369.28073	1.4
393.31857	1.1
405.31885	1.3
407.29291	1.0
423.32864	4.8
425.35059	5.9
437.30780	1.2
439.32361	0.8
443.31903	3.0
451.32294	1.5
457.33603	1.0
467.31870	3.7
469.33551	12.8
487.34610	100.0
488.34973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69028	0.7
55.26905	0.8
57.03467	1.1
59.87547	0.7
59.98534	13.5
60.99321	5.3
70.78256	0.8
71.05041	4.6
76.98850	1.0
79.68073	0.8
80.02692	1.7
81.60709	0.7
86.87999	0.8
89.75457	0.8
95.05029	1.3
96.80054	0.7
97.06650	1.0
112.71461	0.8
137.09779	1.3
140.76648	0.9
149.09732	0.9
161.22917	0.9
168.64487	0.9
183.90262	0.9
202.17494	0.9
377.28448	3.0
379.30222	1.7
391.30164	3.4
399.32806	2.0
405.31598	1.9
407.33279	100.0
408.33548	1.1
409.34967	10.7
413.30103	1.6
423.32843	10.2
425.34515	8.7
427.35846	21.6
441.33981	1.2
443.35510	1.6
449.30829	5.6
451.32227	1.7
453.33948	14.0
455.31818	1.9
467.31677	18.0
469.33313	96.9
470.33936	1.7
487.34647	31.4
513.32239	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3438
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01389	0.5
61.48299	0.4
62.79193	0.4
64.20722	0.4
64.76509	0.4
74.92956	0.4
85.70440	0.7
94.39848	0.6
97.06596	0.6
99.04518	3.5
174.82320	0.5
183.94360	0.5
261.32648	0.6
306.07983	0.5
373.06580	0.6
397.30792	0.6
425.34750	1.0
443.35468	2.4
469.33307	4.0
476.59995	0.6
487.34399	100.0
488.34418	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
54.97034	1.4
83.52483	1.2
84.34029	1.2
119.06320	1.3
120.31094	1.4
145.93326	1.6
223.20676	2.3
399.36481	6.4
443.35437	48.8
469.33319	2.5
487.34369	100.0
488.34375	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
83.18360	0.5
91.59768	0.5
97.06600	4.1
106.68933	0.5
124.87408	0.5
126.10631	0.5
199.79477	0.5
262.83063	0.6
277.21677	0.6
315.99969	0.6
393.31769	1.1
395.29575	1.2
423.32874	1.0
439.32269	10.1
457.33350	20.1
457.39478	1.0
465.92261	0.7
469.33350	4.6
487.34409	100.0
488.34882	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40464	0.4
51.70042	0.4
54.28700	0.4
56.11319	0.3
58.71571	0.4
59.89424	0.4
104.83286	0.4
110.10389	0.4
147.67511	0.5
222.05743	0.4
443.34515	0.8
487.34369	100.0
488.34671	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	487.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67370	0.4
54.93859	0.4
56.16738	0.4
81.13774	0.4
89.14725	0.5
117.46419	0.5
117.97813	0.6
232.14058	0.5
421.78156	0.6
423.32584	0.7
469.33444	1.3
477.90411	0.5
487.34375	100.0
487.67709	0.6
488.34869	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37357	0.4
54.40929	0.6
54.82882	0.5
57.03445	1.0
58.58230	0.6
71.05032	3.2
85.06615	0.6
95.05028	1.3
97.06603	1.0
111.71040	0.6
122.57080	0.6
130.37025	0.5
154.06752	0.5
379.30237	1.3
381.27640	0.7
403.30231	1.0
405.31821	2.1
423.32437	0.7
425.34650	1.2
441.33249	1.0
449.30850	6.4
451.32297	2.3
467.31717	14.1
469.33313	100.0
470.33432	2.4
474.72900	0.6
487.34732	11.3
513.32172	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.06671	0.1
59.01382	0.1
62.49612	0.1
66.09843	0.1
68.27739	0.1
69.78732	0.1
72.06793	0.1
77.03658	0.2
97.06615	0.3
169.58781	0.2
189.09601	0.1
277.82440	0.2
306.83582	0.1
309.77673	0.2
387.21451	0.2
425.34338	0.2
446.25717	0.2
487.34402	100.0
488.34479	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	487.3438
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
52.47952	0.4
55.54477	0.4
58.98307	0.4
59.01382	1.1
61.84766	0.4
63.99976	0.5
71.05053	0.6
81.03480	0.8
97.06589	6.8
105.19767	0.5
137.09752	0.7
163.13739	0.5
191.14481	0.6
305.21381	6.0
373.25439	1.0
375.27023	0.6
389.28442	3.4
391.30148	7.3
393.27875	0.9
405.31741	8.0
407.33438	11.4
409.31137	2.2
413.34192	0.8
423.33060	1.9
425.34384	0.6
437.30676	0.8
439.32385	2.0
441.33862	18.4
449.30795	1.2
451.26331	1.1
451.32263	21.3
453.33841	100.0
454.34302	2.6
457.33234	3.0
467.31708	1.1
469.33130	3.3
471.34793	2.8
487.34506	29.7
497.32880	2.0
513.32147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
54.82666	2.4
59.01381	4.3
61.98820	3.0
62.90049	2.6
66.70850	2.5
68.42804	2.4
83.05024	20.9
90.83634	2.7
97.06577	3.7
103.95736	2.8
117.26542	3.0
127.04024	5.2
191.14189	3.0
225.66895	3.0
243.22838	3.2
405.31772	6.0
407.33447	6.2
423.32761	5.6
441.33716	12.9
451.32233	23.8
453.33878	94.9
454.34073	3.5
467.31357	2.9
469.33020	13.8
487.34561	100.0
490.04962	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	487.3435
Annotation	Sodwanone D
Peak:m/z	Relative Intensity
56.83844	0.9
59.01401	1.0
62.41537	1.1
76.65131	1.0
99.49873	1.2
115.89521	1.2
409.31424	1.8
417.02417	1.8
425.30389	2.0
453.30197	1.9
469.33841	1.5
487.34747	100.0
488.34412	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	487.3066
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
53.65551	0.6
76.09853	0.6
92.10800	1.4
96.41453	0.6
107.51216	0.6
145.03000	0.6
153.46535	0.6
174.56631	0.6
191.05595	1.4
284.98816	0.6
451.32828	1.0
487.30673	100.0
488.31281	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20126	0.4
54.96907	0.4
58.86244	0.4
59.01388	0.7
69.37061	0.4
69.47210	0.4
80.57255	0.4
91.65497	0.5
92.66303	0.5
96.20929	0.5
97.06589	2.1
103.25533	0.5
133.43695	0.5
145.02965	0.7
257.40240	0.6
392.26309	0.5
397.31476	0.7
425.34332	2.3
443.35431	20.6
469.33182	3.1
487.34409	100.0
488.34894	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	487.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16808	2.9
50.46431	2.9
59.01390	41.6
59.09504	2.7
59.19525	3.1
61.98838	7.4
69.91967	3.0
71.01377	25.6
73.02972	6.0
85.02955	16.8
87.00904	4.9
89.02462	22.4
92.10741	7.0
93.03460	18.5
96.96040	3.7
99.00904	3.4
101.02470	15.4
109.02962	3.2
113.02438	6.8
114.38828	3.1
119.03526	3.3
119.05071	3.9
120.48118	3.2
122.03613	3.3
134.03743	3.5
135.04530	18.4
137.02440	4.3
150.05595	4.3
161.02460	16.4
173.04564	6.7
175.04034	5.9
191.05650	97.9
192.05969	4.9
193.43628	4.0
198.19211	3.2
244.76483	3.7
296.92697	3.5
299.45984	3.3
327.20029	4.0
411.61066	3.4
435.25217	4.1
451.21957	42.0
487.08981	4.3
487.19705	100.0
487.30511	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89435	0.2
55.01895	0.2
55.18385	0.2
61.25693	0.3
71.01393	0.3
72.46790	0.3
73.02953	57.9
89.02452	0.4
90.66980	0.2
91.57739	0.3
93.12977	0.3
99.00886	7.3
99.92604	0.5
103.03986	0.3
116.92870	11.0
117.01946	100.0
124.73582	0.3
142.73782	0.3
176.38162	0.3
200.55939	0.3
213.23633	0.3
449.73593	0.3
470.40656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16808	2.9
50.46431	2.9
59.01390	41.6
59.09504	2.7
59.19525	3.1
61.98838	7.4
69.91967	3.0
71.01377	25.6
73.02972	6.0
85.02955	16.8
87.00904	4.9
89.02462	22.4
92.10741	7.0
93.03460	18.5
96.96040	3.7
99.00904	3.4
101.02470	15.4
109.02962	3.2
113.02438	6.8
114.38828	3.1
119.03526	3.3
119.05071	3.9
120.48118	3.2
122.03613	3.3
134.03743	3.5
135.04530	18.4
137.02440	4.3
150.05595	4.3
161.02460	16.4
173.04564	6.7
175.04034	5.9
191.05650	97.9
192.05969	4.9
193.43628	4.0
198.19211	3.2
244.76483	3.7
296.92697	3.5
299.45984	3.3
327.20029	4.0
411.61066	3.4
435.25217	4.1
451.21957	42.0
487.08981	4.3
487.19705	100.0
487.30511	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82669	1.2
56.82040	1.2
57.03471	1.3
59.01385	28.4
71.01383	17.1
73.02942	5.5
73.72282	1.3
74.98601	1.2
82.95419	2.8
84.95119	21.1
85.02953	1.9
87.96512	1.3
89.02447	22.0
99.00872	6.7
101.02427	7.7
105.13338	1.5
113.02460	5.6
117.03480	27.5
119.05018	41.7
125.02464	1.7
131.03519	1.6
132.02176	12.8
133.06624	2.4
134.03741	45.6
144.96353	1.4
145.02971	100.0
147.04581	1.8
149.04587	2.2
149.06148	5.2
160.01674	58.3
161.06029	2.9
163.04018	37.8
175.04019	38.9
176.04756	2.0
177.05600	1.9
178.02698	5.2
191.05551	2.2
193.05070	46.5
205.05179	10.1
217.05183	2.4
233.06572	1.6
235.06088	6.9
241.81390	1.9
251.12988	1.6
265.07162	10.4
325.09387	2.1
340.17661	1.4
451.17914	2.5
487.14630	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06032	2.3
59.01381	33.4
61.98836	31.6
71.01366	28.4
73.02950	6.3
75.00872	3.9
82.95435	3.3
85.02946	12.1
87.00880	4.4
89.02416	22.7
90.22094	2.6
99.00880	5.6
101.02445	25.2
101.06078	4.6
113.02440	17.4
115.07650	6.5
116.92859	6.9
117.03468	13.2
119.05022	54.0
137.14961	2.9
145.02969	29.1
161.04582	10.9
163.04005	45.4
178.13907	3.7
191.05580	6.9
205.04976	3.5
235.41866	2.8
242.61551	2.9
258.43918	3.1
284.69443	3.4
319.14023	15.2
352.47815	3.7
399.52936	2.8
426.20612	5.5
427.20380	4.4
451.18298	100.0
481.55914	3.3
487.15845	76.1
499.29105	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	486.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13024	0.3
59.01384	2.3
61.98832	100.0
71.01383	0.4
85.02928	0.7
89.02443	0.6
93.03455	0.7
99.00898	0.4
109.02959	0.3
134.03717	0.4
135.04491	0.7
147.04492	0.6
173.04572	0.4
191.05627	5.4
192.05914	1.8
468.16272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90284	0.1
58.80586	0.1
59.01403	0.2
61.98835	100.0
66.47924	0.1
70.31700	0.1
86.38242	0.1
101.93755	0.1
108.63789	0.1
108.88593	0.1
123.66944	0.1
127.44794	0.2
172.38083	0.1
426.23334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60237	0.1
56.62123	0.1
59.01388	0.4
61.98836	100.0
62.21484	0.2
71.01400	0.2
85.03032	0.2
95.75962	0.2
101.02444	0.2
107.44048	0.1
109.70338	0.2
115.07912	0.2
178.70895	0.2
222.57521	0.2
262.29770	0.2
292.49341	0.2
425.22894	0.2
426.23447	0.3
441.24051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	8.4
71.01394	0.6
72.08478	0.5
73.02946	4.9
89.02451	1.0
99.00909	1.0
101.02445	72.6
102.47746	0.6
104.31873	0.6
118.29725	0.6
130.57524	0.6
145.01442	100.0
157.62531	0.6
184.85579	0.7
191.05653	3.2
219.48203	0.6
241.77623	0.7
387.18640	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26675	0.7
59.01388	16.9
60.90069	0.8
61.98843	8.5
71.01398	11.5
72.99325	2.1
73.02948	1.7
75.00915	1.0
85.02973	4.6
87.00904	2.2
89.02445	8.6
93.03481	3.6
99.00912	1.5
101.02460	11.1
111.13982	0.9
113.02471	3.5
117.03487	26.1
119.03634	1.4
119.05037	44.5
121.02958	1.8
133.02928	2.2
133.06612	4.5
134.03761	55.6
137.02457	8.7
137.71992	0.9
139.04016	1.7
145.02977	100.0
147.04538	3.6
149.06123	15.9
157.08723	2.1
159.04486	1.7
160.01660	1.2
161.04785	1.2
161.06055	7.6
163.04028	40.0
174.03160	1.8
175.03966	1.5
176.01134	1.8
177.05598	3.7
178.01176	1.4
178.02737	38.8
191.03668	6.1
191.05580	4.6
191.07155	1.3
193.05095	56.2
202.02693	1.4
205.05066	11.0
209.04597	5.0
217.05101	3.6
233.04440	1.2
235.06137	5.8
251.05614	7.1
265.07214	12.3
289.37466	0.9
307.08292	2.2
311.07794	3.7
325.09311	1.9
341.11331	1.2
367.10318	3.6
451.18256	8.0
474.78809	0.9
479.91885	1.0
487.14798	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3642
Annotation	cholesteryl hemisuccinate
Peak:m/z	Relative Intensity
51.64802	0.2
60.70694	0.2
63.31984	0.2
71.05033	0.2
76.40608	0.3
91.04507	0.2
167.20314	0.2
236.08852	0.3
256.23694	0.3
257.23953	0.3
320.64651	0.3
360.98306	0.3
423.32892	0.4
439.32407	0.6
441.33862	1.3
451.32401	1.6
453.34042	0.6
457.33231	0.3
470.77301	0.3
485.36655	100.0
486.37195	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	485.3642
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
59.77955	0.7
66.25361	0.7
71.05035	1.0
74.77773	0.7
79.29642	0.6
79.96976	0.7
97.06596	11.2
116.94199	0.9
178.66145	0.7
183.69798	0.7
186.25514	0.7
325.29279	0.8
374.26093	1.6
389.28806	2.7
391.30148	5.9
405.31631	10.9
407.33377	15.7
439.32181	1.5
441.33774	10.5
451.32217	43.5
452.58069	0.8
453.33810	100.0
454.34204	1.6
471.34998	9.4
485.36539	18.1
491.63306	0.8
497.32727	4.9
512.52979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3281
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
52.05696	0.3
56.19865	0.4
57.03466	0.5
58.24945	0.4
59.01392	1.9
59.33272	0.5
61.19226	0.4
61.98833	0.5
65.76659	0.4
71.05035	1.1
75.05018	0.4
86.99515	0.4
92.10123	1.3
92.66035	0.5
93.24344	0.5
93.97681	0.4
94.97430	0.5
97.06592	4.0
100.98777	0.4
116.92853	0.8
133.02954	0.7
135.04544	0.6
151.11298	18.7
161.02480	2.5
168.55766	0.6
176.91934	0.5
266.68744	0.5
286.10547	0.4
375.27161	0.9
375.45227	0.6
381.28156	1.0
391.26147	0.4
393.28195	0.7
397.31100	0.6
407.29895	1.8
409.27222	1.0
411.32880	0.7
421.31247	1.1
423.28333	0.6
423.32941	11.8
439.32355	8.1
441.34296	6.6
447.23810	0.8
467.32199	1.0
485.32843	100.0
486.16272	0.6
486.33264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
64.65346	0.4
65.41582	0.4
71.05026	0.7
97.06561	0.9
134.37303	0.5
145.51433	0.5
145.82671	0.4
178.08717	0.5
260.69742	0.5
273.09225	0.5
299.75577	0.5
305.21088	0.6
407.29617	3.1
409.31158	1.0
421.31329	0.8
439.32245	2.5
441.33832	2.2
457.33441	0.7
467.31888	0.8
485.32867	100.0
486.33231	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	485.3281
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.40023	0.8
55.08872	0.9
57.03479	0.9
59.01402	1.5
62.15323	0.9
71.05044	1.7
73.80758	0.9
80.46288	0.9
87.55569	1.0
92.10177	1.6
97.06608	1.8
106.60703	1.1
123.08100	1.4
125.99714	1.0
230.76506	1.1
289.18701	1.0
299.56137	1.4
339.73309	1.1
377.04333	1.3
409.31229	1.5
411.32822	21.1
423.33206	1.6
455.31650	14.2
467.31805	4.4
485.32907	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	485.328
Annotation	Acerinol
Peak:m/z	Relative Intensity
52.23516	0.2
54.83945	0.2
59.01413	0.3
60.83445	0.2
73.02967	1.2
77.31629	0.2
85.84966	0.2
95.03658	0.3
126.07105	0.2
139.07645	0.4
150.65573	0.2
180.21883	0.3
241.19853	0.3
407.29620	1.0
473.32660	0.3
485.32816	100.0
486.33221	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73134	0.4
58.34863	0.5
67.57122	0.6
72.18886	0.4
76.58430	0.5
87.88795	0.5
92.10226	0.8
99.03532	0.6
138.06946	0.6
162.10637	0.5
248.40692	0.6
439.32251	0.7
441.33832	18.1
452.05948	0.6
485.32803	100.0
486.33307	3.8
506.81348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82430	0.4
61.76694	0.3
62.30536	0.3
92.10162	0.8
97.06615	0.6
104.50018	0.4
178.08983	0.4
190.43147	0.4
219.76038	0.4
229.40729	0.4
244.01041	0.4
423.32971	0.7
441.34164	0.5
455.31656	0.9
485.32825	100.0
486.33124	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	485.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.5
57.03446	2.1
58.11309	1.2
59.01386	55.7
60.99319	2.6
61.98835	18.1
66.79224	1.5
67.01903	6.5
69.03454	2.1
70.91377	1.3
71.01380	54.2
72.99336	1.3
73.02943	20.6
73.71012	1.2
74.01237	1.2
75.00881	1.3
81.03419	1.6
83.01408	12.3
83.05038	1.5
85.02948	36.5
87.00876	11.9
88.98807	5.5
89.02455	13.3
93.03453	47.9
95.01401	6.8
96.96009	9.6
97.02966	2.3
99.00877	9.6
99.04525	1.7
101.02442	43.9
101.03085	2.1
102.88055	1.6
108.02160	1.9
109.02981	15.5
111.04517	8.7
113.02448	21.1
119.03500	2.2
125.02470	2.3
129.01962	5.4
129.05602	1.7
131.03453	1.9
133.02951	3.3
134.03728	29.2
135.04526	12.7
136.01677	19.1
137.02429	13.4
137.03394	1.2
143.03528	2.0
143.76865	1.5
146.02197	1.5
147.04491	1.9
147.06731	2.2
151.04018	6.7
155.03548	3.5
159.55917	1.4
160.01668	8.7
161.02510	10.8
161.04555	12.1
173.04572	33.7
175.04037	10.0
179.03481	5.4
185.06073	1.5
191.05638	67.6
193.05113	2.6
229.08752	1.7
231.10078	1.8
233.06557	2.5
257.08157	1.8
263.14954	9.6
293.10358	2.5
293.16153	13.4
307.08395	2.3
309.11966	1.9
311.11340	7.7
425.20370	100.0
467.15695	30.4
485.16959	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	485.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57089	1.4
55.01895	4.3
57.03479	8.0
59.01397	72.9
60.99337	3.9
61.98851	13.1
66.92821	1.8
67.01907	13.1
69.03470	3.7
71.01392	64.7
71.01775	2.3
72.99305	2.8
73.02958	23.6
74.59423	1.7
74.74943	2.3
81.03490	3.3
83.01408	11.2
85.02970	42.9
87.00884	16.1
88.98840	7.3
89.02454	17.6
93.03466	71.6
95.01361	2.9
96.96019	14.0
97.06571	1.9
99.00904	9.6
101.02457	45.7
109.02973	23.4
111.04553	10.0
113.02471	23.3
119.03523	2.5
122.17938	1.7
127.03973	2.3
129.01970	3.5
132.14685	1.8
134.03740	33.5
135.04532	13.3
136.01660	23.5
137.02463	18.4
143.03458	2.1
145.03052	2.5
147.06697	2.2
151.04039	7.2
155.03519	3.1
159.03001	3.0
160.01691	12.9
161.02374	3.1
161.04588	12.3
173.04564	53.4
173.05986	3.0
174.10750	1.9
175.04047	7.7
177.27682	2.0
178.02788	2.0
179.03584	3.5
187.07727	2.0
191.05637	86.2
193.05005	3.0
231.10318	2.4
242.81956	1.8
263.15002	9.8
287.13446	2.2
293.10385	8.0
293.16034	14.0
309.11966	3.0
311.11331	15.5
349.57596	1.9
425.20392	100.0
449.14429	2.3
467.15723	48.0
485.16745	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19176	0.9
55.01887	4.1
57.03473	3.9
58.00627	1.1
58.88784	1.0
59.01384	38.9
60.99320	4.7
61.98848	1.5
69.03470	1.6
71.01382	44.0
72.99316	1.7
73.02950	23.8
73.03345	1.4
75.00900	1.4
83.01378	7.9
85.02956	24.3
85.03462	1.4
86.35718	0.9
87.00890	5.1
88.98798	26.2
88.99267	1.3
89.02451	17.2
90.00695	1.0
93.03471	2.5
95.01399	4.3
96.95997	1.7
97.02982	2.0
99.00864	8.0
101.02444	49.1
105.01947	4.5
111.00890	2.5
113.02465	14.7
116.92854	1.1
119.03489	2.0
125.02462	2.2
129.01950	1.5
131.03508	1.4
141.01857	1.1
143.03543	1.8
145.07753	4.8
145.08772	1.2
149.04561	1.4
159.03038	4.0
161.04572	12.2
173.04570	1.9
176.01239	1.2
176.04727	1.7
177.09262	1.9
185.50316	1.5
191.05614	12.1
205.08749	2.6
233.06635	1.2
249.11290	4.0
267.14883	1.1
293.16132	29.1
295.12561	1.1
385.68781	1.2
425.20380	100.0
455.53455	1.1
485.16611	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	485.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.4
57.03469	3.1
57.38418	0.6
59.01385	32.7
60.99320	0.7
61.98838	2.6
65.76643	0.5
69.61632	0.5
71.01382	36.7
72.99318	1.1
73.02943	17.9
80.28227	0.6
81.03442	0.6
83.01387	7.4
83.01781	0.5
85.02953	17.7
87.00886	3.9
87.04512	1.4
88.98820	1.4
89.02448	13.8
92.10770	1.4
93.03477	0.7
95.01385	3.2
96.96005	13.5
97.02972	2.9
99.00895	7.3
99.18559	0.6
101.02440	35.1
111.00896	2.5
113.02451	18.2
115.04025	1.1
119.03540	2.3
121.02925	0.7
125.02446	2.4
129.01945	1.1
131.03546	1.1
131.10791	0.7
135.04472	0.6
138.22951	0.6
143.03496	2.8
149.04546	1.4
156.95810	0.6
159.02995	3.5
161.04564	10.3
166.29083	0.6
167.03448	0.8
173.04451	0.9
176.04820	1.0
177.09160	0.8
184.95444	0.6
191.05602	4.6
205.08740	2.8
219.54002	0.6
249.11380	2.5
293.16113	23.7
397.41782	0.7
425.20367	100.0
426.20645	1.2
447.14908	0.9
485.16931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19176	0.9
55.01887	4.1
57.03473	3.9
58.00627	1.1
58.88784	1.0
59.01384	38.9
60.99320	4.7
61.98848	1.5
69.03470	1.6
71.01382	44.0
72.99316	1.7
73.02950	23.8
73.03345	1.4
75.00900	1.4
83.01378	7.9
85.02956	24.3
85.03462	1.4
86.35718	0.9
87.00890	5.1
88.98798	26.2
88.99267	1.3
89.02451	17.2
90.00695	1.0
93.03471	2.5
95.01399	4.3
96.95997	1.7
97.02982	2.0
99.00864	8.0
101.02444	49.1
105.01947	4.5
111.00890	2.5
113.02465	14.7
116.92854	1.1
119.03489	2.0
125.02462	2.2
129.01950	1.5
131.03508	1.4
141.01857	1.1
143.03543	1.8
145.07753	4.8
145.08772	1.2
149.04561	1.4
159.03038	4.0
161.04572	12.2
173.04570	1.9
176.01239	1.2
176.04727	1.7
177.09262	1.9
185.50316	1.5
191.05614	12.1
205.08749	2.6
233.06635	1.2
249.11290	4.0
267.14883	1.1
293.16132	29.1
295.12561	1.1
385.68781	1.2
425.20380	100.0
455.53455	1.1
485.16611	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	484.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
59.80435	0.4
61.98835	100.0
63.13306	0.4
67.01900	0.3
67.15147	0.3
68.54808	0.4
71.01397	0.4
79.09965	0.4
79.71056	0.4
85.02959	0.4
85.67228	0.4
93.03451	0.8
96.96041	0.4
101.02438	0.4
115.66330	0.4
133.02936	0.6
135.04529	0.6
135.84044	0.4
157.14114	0.4
161.02312	0.6
165.47218	0.4
177.01897	3.3
191.05589	2.5
213.94229	0.4
237.60080	0.4
239.12326	0.4
424.22598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17127	0.6
55.01902	0.7
59.01388	19.2
61.98821	0.9
66.95946	0.6
71.01382	15.7
72.99318	1.2
73.02938	7.6
79.95751	1.0
82.95417	100.0
83.01398	1.3
85.02955	9.1
85.35323	0.7
86.13084	0.7
87.00875	6.5
89.02429	8.1
93.03453	4.7
96.96005	5.6
99.92582	0.9
101.02443	12.5
113.02444	6.3
115.92054	1.4
116.92838	4.0
119.03498	1.6
131.03506	3.7
134.03741	1.0
159.02904	0.9
160.06425	5.2
161.04553	4.8
161.07207	48.1
173.04518	4.5
175.08780	16.9
176.04840	1.5
177.09227	4.9
185.77631	0.7
187.08946	2.6
189.06725	61.2
191.05640	15.5
203.08308	13.4
203.96544	0.9
205.08685	5.0
221.06647	3.2
231.10385	0.9
249.11284	4.3
267.12418	1.0
281.41852	0.8
305.11371	4.7
311.11298	1.0
425.20346	0.9
467.15994	1.6
485.10956	1.8
485.17801	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2756
Annotation	Biotin-XX hydrazide
Peak:m/z	Relative Intensity
59.01391	1.0
67.01923	0.7
69.95669	0.4
70.15632	0.4
73.02958	0.6
79.71337	0.4
81.03481	1.7
83.05048	4.7
84.02193	1.1
85.02948	0.8
86.10065	0.4
93.03492	0.5
95.70432	0.5
96.96018	0.5
100.26678	0.4
110.73220	0.4
111.04551	1.7
118.93605	0.4
127.32651	0.4
188.99678	0.5
267.17325	0.5
277.19620	1.8
293.19116	0.8
295.20709	1.9
321.18555	7.8
324.82892	0.5
339.19626	2.3
464.90665	0.5
483.27612	100.0
484.28177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3124
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
51.03418	0.9
60.23958	1.1
71.49938	0.9
76.09184	1.1
81.95783	1.0
109.06701	1.2
111.04549	9.9
124.55878	1.3
132.35095	1.3
205.08743	5.1
207.06662	13.6
208.07416	7.3
219.06642	2.9
221.08266	5.2
231.14024	1.3
233.08234	27.4
247.13437	2.2
257.11874	2.2
261.11313	7.4
275.12949	81.7
276.13632	2.3
287.12933	2.7
289.14536	2.5
359.18530	2.6
371.18655	27.4
414.23834	1.9
483.31219	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	483.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
61.24651	0.4
78.95905	7.9
96.96984	0.5
97.06591	11.7
109.45423	0.5
123.08150	5.9
125.09722	56.3
143.10764	0.7
152.99596	12.1
169.08698	0.5
179.95227	0.4
187.09776	16.3
227.03307	1.8
245.04355	0.6
255.23328	100.0
256.23755	1.8
290.44861	0.5
295.22833	2.2
313.23923	14.6
377.80594	0.4
410.94760	0.5
439.31854	1.1
465.32275	0.9
483.27274	20.7
483.33371	47.8
484.34042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2736
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
78.95905	20.6
81.60711	0.7
96.96967	1.1
103.31352	0.8
111.89149	0.7
150.98009	0.8
152.99605	27.1
171.00597	1.3
227.03255	1.6
228.33093	0.9
255.23328	100.0
439.32303	1.6
483.27133	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2737
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
64.52240	0.3
72.89768	0.2
78.52940	0.3
78.95910	7.1
80.96471	0.3
83.87031	0.3
86.09028	0.3
86.19706	0.3
109.22855	0.3
147.00647	0.3
152.99597	12.3
153.00771	0.5
168.43179	0.3
171.00629	1.3
221.12193	0.3
227.03267	1.5
235.83379	0.3
245.04457	1.0
255.23332	100.0
256.23810	0.6
324.20721	0.3
348.55527	0.3
483.27283	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	483.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08095	0.9
55.01896	1.8
57.03445	1.6
58.99622	1.3
59.01391	66.3
60.37687	1.0
61.98837	1.6
69.03455	1.4
71.01385	31.2
72.00385	1.6
72.99298	1.3
73.02612	1.0
73.02937	10.3
74.00716	1.7
74.99079	1.9
75.85064	1.0
83.01386	6.1
85.02950	18.0
85.79247	1.2
87.00889	6.4
89.02444	22.0
93.03441	2.3
95.01377	1.7
96.96009	62.6
96.96947	2.3
98.14809	1.2
99.00876	4.7
101.02435	28.6
111.04448	1.2
112.21829	1.3
113.02482	12.2
116.92838	6.5
119.03491	5.2
125.02468	1.4
143.03535	1.5
145.02962	1.7
149.04585	1.4
153.01904	1.5
161.04572	2.7
169.10585	16.4
171.08507	35.1
173.04535	2.3
177.37833	1.3
179.05655	2.4
191.05646	23.1
221.06636	2.2
261.13586	1.8
299.16772	2.2
315.20047	1.6
317.17984	7.7
335.19070	15.3
377.20029	11.2
395.21191	13.0
423.18787	40.6
483.22736	100.0
484.23264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43269	0.5
52.81709	0.5
55.01895	1.0
58.00618	1.3
58.51216	0.6
59.01393	78.0
59.92813	0.6
60.48267	0.6
61.98871	0.7
69.03472	4.0
71.01391	57.6
72.99337	1.5
73.02954	15.4
75.00902	2.7
81.03461	1.5
81.58385	0.6
82.15723	0.7
83.01408	4.8
85.02956	7.7
89.02450	100.0
95.01409	0.7
97.02955	10.0
99.00890	21.4
101.02451	21.1
111.00909	1.0
113.02470	7.3
115.03988	4.9
119.03543	0.9
125.02441	29.2
127.07680	0.8
129.09216	36.5
131.03508	10.4
132.60652	0.6
143.03497	3.1
143.10757	1.4
149.04568	35.9
171.10303	5.6
191.05676	10.2
201.11310	2.7
221.06705	1.0
233.06689	12.8
272.27258	0.8
275.07687	3.3
293.08810	44.7
346.00964	0.7
374.59351	0.8
469.46851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2008
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
57.52607	5.4
59.01388	48.2
71.01390	14.1
77.63408	6.2
89.02457	11.6
93.03460	6.9
96.96029	25.9
101.02469	10.8
119.63817	5.5
120.33483	7.3
128.21420	6.8
139.40077	5.6
143.67291	6.0
173.04532	25.2
191.05637	15.5
427.40091	6.9
445.74963	6.6
447.22406	100.0
483.19803	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2013
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
59.01388	52.3
61.98831	11.3
63.04831	8.7
63.38112	9.8
65.57835	9.2
71.01387	19.5
89.02461	18.2
92.10779	31.5
93.72826	11.6
96.96025	13.5
101.02452	16.9
157.98344	10.4
231.49498	10.5
245.76895	12.7
352.32123	10.3
447.22388	55.4
483.20166	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	483.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.46447	1.0
59.01383	71.2
69.03457	2.2
71.01378	78.5
71.05019	5.7
73.02940	26.8
75.00869	1.9
79.27483	1.4
81.03452	1.8
83.01388	6.2
85.02950	18.0
89.02438	100.0
90.42444	1.2
92.10124	1.1
95.01411	2.3
96.96005	14.1
97.02965	6.3
99.00874	24.6
99.04538	1.5
101.02441	44.3
113.02467	17.2
115.04005	5.4
125.02450	15.7
125.43178	1.3
131.03499	11.0
143.03528	2.3
147.06631	9.0
149.03464	2.3
149.04564	36.4
161.04550	18.4
161.49400	1.1
191.05592	11.2
201.07608	1.4
213.14407	1.2
221.06633	5.7
233.06638	7.3
251.07758	1.6
291.10754	1.5
293.08829	17.7
311.09790	4.9
362.58560	1.2
381.55396	1.3
422.58859	1.3
423.15140	82.3
468.50595	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	483.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92770	0.7
55.01881	1.9
57.03453	1.4
57.73766	0.8
58.00621	1.3
59.01386	35.0
62.50485	0.8
68.16678	0.9
68.38949	0.8
69.03477	4.8
71.01384	67.7
71.05025	5.5
73.02953	20.2
75.00896	2.0
75.21804	0.8
78.91679	0.8
81.03479	1.8
83.01416	5.1
85.02962	15.1
87.00890	1.4
89.02441	40.1
95.01371	2.2
96.96058	1.0
97.02940	7.1
99.00883	13.9
99.04584	1.5
101.02444	26.5
108.10291	0.9
113.02448	17.6
115.03983	6.7
125.02426	16.7
131.03545	2.1
138.81355	0.9
138.98967	1.0
143.03513	2.1
147.06654	13.2
149.04582	4.6
159.02959	3.5
161.04568	15.8
191.05687	3.9
201.07761	1.8
233.06703	12.9
272.10172	1.3
291.10913	3.3
293.08807	15.7
423.15167	100.0
424.15463	1.6
437.16693	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	483.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.0
59.01388	84.7
61.98857	1.6
69.03475	1.9
71.01388	82.6
71.05037	3.1
73.02957	25.2
83.01426	2.4
85.02975	19.4
85.30743	1.5
87.00927	3.2
89.02454	92.4
95.01358	2.1
96.96010	22.4
97.02974	8.3
98.95609	8.3
99.00880	27.9
99.04527	2.3
101.02441	38.3
113.02453	16.4
115.04034	3.2
120.23380	1.7
123.50716	1.7
125.02447	19.0
129.05586	15.3
131.03513	10.1
143.03506	2.8
147.06656	8.4
149.04539	30.6
153.05611	3.1
160.14090	1.8
161.04575	13.0
191.05574	13.2
198.55077	1.9
221.06734	2.5
233.06717	10.7
266.83304	2.0
275.08261	2.1
291.10800	2.5
293.08801	28.0
311.09848	2.8
386.71457	1.8
423.15106	100.0
455.68643	2.0
456.62744	1.8
483.12839	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	483.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83272	0.2
59.01392	1.6
60.99004	0.7
60.99312	17.8
71.01385	0.6
85.02967	0.3
85.92586	0.3
87.00885	0.5
88.26707	0.3
88.98812	100.0
89.02444	4.5
93.03491	0.5
101.02480	0.4
102.84052	0.3
127.34684	0.3
137.02438	0.5
153.02029	0.3
191.05640	0.7
219.92326	0.3
261.80566	0.3
407.77365	0.3
437.20139	0.6
483.22495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82370	0.1
59.01387	2.8
65.39074	0.1
66.36320	0.1
71.01376	1.6
71.18017	0.1
73.02951	0.3
74.99094	1.1
75.00873	0.2
79.95733	2.0
82.35229	0.1
83.01402	0.2
85.02946	1.2
87.00886	0.3
88.98804	0.2
89.02485	0.4
91.05536	0.3
93.03448	0.4
96.96007	100.0
97.93185	0.2
101.02447	0.6
109.68785	0.1
113.02457	1.0
113.92607	0.3
114.93404	1.2
116.92860	2.6
123.67896	0.2
127.03991	0.2
133.02924	0.2
135.04498	0.3
136.99139	0.7
157.91187	0.2
166.38599	0.2
169.10527	0.9
171.08511	2.1
191.05630	2.5
223.31827	0.2
231.99663	0.2
267.07230	1.2
299.16660	0.3
317.17960	0.3
335.18976	0.9
377.20236	0.7
385.11258	1.1
395.21005	0.8
401.37332	0.2
423.18744	1.1
483.15814	0.4
483.22717	6.3
500.31039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23216	2.3
62.50595	2.2
73.22099	2.2
78.95902	65.2
78.96320	3.2
85.64398	2.6
92.10803	5.2
96.96973	3.6
102.31039	2.2
106.19173	2.1
125.09766	11.0
141.88068	2.5
152.99617	89.5
153.00793	4.7
171.00653	21.9
239.06667	2.3
245.04349	100.0
251.50330	2.4
253.21762	57.4
265.48380	2.6
481.25571	42.5
481.31540	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	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76193	1.0
61.34576	1.1
62.01683	1.1
63.12955	1.0
63.80120	1.0
68.10281	1.0
78.95908	64.1
78.96369	2.1
79.27017	1.1
83.21595	1.0
89.17051	1.0
96.43793	1.2
96.96964	2.4
99.71508	1.2
132.24916	1.2
152.99596	81.1
171.00644	25.4
245.04330	100.0
253.21744	61.9
289.69739	1.4
300.91876	1.2
415.49582	1.2
481.25732	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48428	0.2
52.96633	0.2
59.01391	1.4
60.61139	0.2
61.98841	0.5
62.33744	0.2
64.79127	0.2
71.01384	2.2
73.02966	0.3
79.50437	0.2
85.02966	0.3
85.04492	0.2
87.00893	1.3
88.98816	0.3
89.02458	2.0
92.10142	0.3
93.03449	0.3
96.74542	0.2
96.96014	0.5
97.06586	0.3
101.02472	0.9
116.05085	3.3
133.05093	5.6
159.03252	1.2
160.04059	100.0
161.02440	0.5
161.04485	0.5
162.02791	0.4
174.05632	0.3
191.05656	0.6
204.03056	4.4
237.75073	0.3
261.00809	0.2
304.08289	1.0
322.09439	0.3
348.07285	1.6
366.08405	1.4
423.18637	0.4
438.10565	0.4
482.13138	18.0
483.13583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.2
57.03462	3.7
58.00611	0.5
59.01384	27.7
62.36685	0.5
69.03471	1.1
71.01379	51.8
72.99329	0.7
73.02944	22.8
75.00890	0.8
81.37263	0.6
83.01385	8.4
84.09520	0.5
85.02948	28.2
87.00880	1.2
89.02437	11.1
93.03445	4.1
95.01388	4.2
96.96033	0.7
97.02959	3.6
99.00866	9.4
101.02439	37.0
101.03095	1.3
111.00894	0.7
113.02454	20.6
115.04027	1.4
125.02442	4.2
127.11265	1.0
129.01953	0.8
131.03511	2.2
134.03754	0.7
143.03497	2.4
149.04597	0.8
159.02988	3.5
161.04559	12.8
173.04521	2.4
178.02817	0.8
191.05626	3.4
233.06633	2.6
289.16614	20.5
289.19833	0.7
303.50034	0.6
332.34744	0.6
333.10513	0.6
336.77505	0.6
421.20865	100.0
422.21201	1.2
481.17557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.9
56.30175	0.5
57.03472	3.6
57.87920	0.7
59.01109	1.5
59.01394	29.7
61.98865	0.9
64.34109	0.8
69.03479	0.8
71.01395	51.3
73.02959	22.7
75.55576	0.6
82.46094	0.7
83.01414	8.0
85.02971	27.2
87.00909	4.4
89.02462	11.2
93.03496	3.5
95.01405	4.8
97.02974	1.5
99.00882	10.4
101.02454	35.1
101.03096	1.3
111.00878	1.0
113.02464	21.6
115.04062	1.3
125.02442	4.9
127.11305	1.6
131.03542	1.4
133.02997	0.7
134.03777	1.1
143.03513	1.4
143.74843	0.6
145.47809	0.6
149.04602	0.9
153.77704	0.7
159.02988	2.8
161.04555	11.8
167.63690	0.7
168.70117	0.8
173.04558	3.9
178.02794	0.9
191.05678	1.2
233.06728	3.0
289.16614	17.3
293.08847	0.8
306.07275	1.2
373.24274	0.8
376.43799	0.7
421.20889	100.0
422.21442	1.4
481.17239	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	481.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	0.8
58.00598	1.1
59.01388	71.1
61.88261	0.7
61.98861	1.0
63.15431	0.7
67.01901	1.0
69.03483	1.6
71.01386	50.6
71.01772	1.9
72.99330	1.5
73.02949	14.8
75.00882	1.1
77.53508	0.7
83.01401	0.9
83.05105	0.8
85.02959	14.9
87.00885	4.2
89.02447	100.0
93.03467	7.4
95.01386	0.9
97.02967	4.0
99.00884	26.7
101.02450	28.1
109.03003	1.7
111.04513	1.3
113.02483	5.6
119.03557	1.7
125.02443	19.5
127.04039	1.6
127.07655	9.2
131.03488	10.3
137.02448	1.2
143.03519	1.0
149.04576	38.5
153.50266	0.9
161.04547	3.0
173.04520	13.7
181.08789	1.2
187.07646	5.6
191.05638	62.7
201.05606	1.7
202.06395	7.7
213.09314	1.4
221.06740	6.0
227.97221	0.8
231.10268	7.5
233.06715	5.7
251.07666	1.9
265.05112	1.2
265.56140	0.9
275.09283	0.9
293.08850	26.1
311.09796	7.8
345.23392	1.0
349.18939	1.0
355.01862	1.1
397.95844	0.8
449.14594	8.3
481.21994	3.0
481.27130	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.0
61.98838	0.7
71.01386	4.2
71.05038	0.8
81.03455	0.5
85.02943	0.7
87.72938	0.5
89.02447	5.4
94.13668	0.4
96.96014	7.4
97.02931	0.6
99.00874	0.5
101.02425	0.7
125.02421	2.1
134.03740	0.9
136.01617	3.4
137.36264	0.4
151.04001	1.0
185.06071	3.0
195.04567	1.8
197.06056	0.7
212.04787	1.1
213.05600	18.1
223.04025	2.9
224.04758	2.4
233.06668	2.0
237.78276	0.4
240.04333	1.7
241.05086	92.4
242.05281	1.7
256.07437	60.8
257.07767	0.4
261.42883	0.5
271.09787	100.0
272.10159	0.8
293.08868	4.7
319.11856	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	481.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85097	1.1
53.43966	1.2
57.03448	1.9
59.01382	21.8
60.99310	3.5
61.98833	2.6
65.62110	1.3
67.01891	14.0
69.03464	3.0
71.01370	11.6
80.98269	1.5
83.05054	2.8
84.35540	1.3
87.00880	20.5
92.10772	5.3
93.03452	100.0
96.95972	1.4
101.02444	1.9
102.01746	1.5
110.56014	1.5
111.04547	16.2
113.02507	2.2
116.63580	1.4
116.89553	1.3
119.05000	2.5
125.02434	1.7
128.32280	1.5
129.01961	1.7
133.02966	9.7
134.03740	18.9
135.04521	7.7
137.02437	8.7
155.03508	3.6
160.30870	1.6
173.04553	72.8
177.01939	2.2
178.02753	17.8
179.03493	3.4
191.05624	2.8
198.07500	1.5
203.65027	1.5
275.09274	3.5
306.07559	7.5
351.35757	1.9
364.72452	1.6
407.20560	1.6
449.14603	43.9
481.17172	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	481.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37074	0.2
52.28531	0.3
55.01894	0.5
55.68546	0.3
57.03458	0.5
58.00601	0.5
59.01385	22.5
67.01903	0.6
69.03465	0.7
71.01380	15.0
72.99312	0.4
73.02948	4.7
75.97163	0.4
81.03472	0.8
83.01392	1.2
83.05069	0.3
85.02949	12.3
87.00868	3.2
89.02441	24.6
89.93102	0.3
93.03452	6.9
95.01402	0.5
97.02954	1.5
98.90356	0.3
99.00883	6.0
99.04511	1.2
101.02439	6.2
105.47898	0.3
109.02982	2.4
111.00849	0.4
111.04540	2.1
113.02459	1.7
114.39768	0.3
115.04005	0.7
123.00907	1.5
124.01637	0.4
125.02449	5.5
126.90459	0.4
127.04037	3.2
127.07662	1.5
131.03528	3.3
135.04562	0.7
137.02428	0.6
143.03514	0.7
149.04562	8.5
155.03516	0.6
163.04156	0.4
168.00545	0.4
169.08711	0.4
171.02988	0.3
173.04568	4.3
187.04015	0.5
187.07677	2.4
191.05632	100.0
192.05968	0.8
199.09793	0.3
202.06343	2.7
213.09248	2.1
215.07352	0.4
221.06767	0.8
231.10251	2.3
233.06653	1.4
251.07935	0.3
275.09238	0.5
289.10873	0.5
293.08817	6.8
297.50760	0.3
307.12033	0.6
311.09827	2.0
413.00726	0.5
449.14514	6.6
481.17365	0.5
481.26627	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	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83135	0.3
55.01886	0.5
57.03466	0.6
58.00610	0.5
59.01384	26.7
62.79890	0.3
63.37812	0.3
67.01898	0.7
69.03470	1.6
71.01379	16.5
73.02944	6.1
75.00848	0.5
75.89165	0.4
75.99816	0.3
76.26246	0.4
81.03467	0.4
83.01389	0.5
83.05032	0.5
85.02955	14.0
87.00861	3.1
89.02444	35.4
93.03455	7.3
95.01413	0.6
97.02950	1.5
99.00878	7.7
101.02441	10.4
103.50743	0.4
109.02959	2.6
111.04551	2.3
113.02448	2.6
115.04008	0.7
115.72886	0.4
119.03505	0.7
120.99686	0.5
125.02470	5.6
127.04057	3.1
127.07648	3.3
131.03473	3.2
135.04549	1.6
137.02464	0.7
143.03494	1.6
149.04562	11.1
161.04578	1.0
169.08725	0.7
171.02972	0.6
173.04573	6.1
176.65166	0.4
182.02365	0.4
187.04036	0.5
187.07668	3.5
191.05640	100.0
192.06062	0.6
199.09758	0.4
202.06453	3.9
203.13260	0.4
213.09241	2.7
221.06601	0.6
231.10352	5.1
233.06714	1.9
275.09473	0.8
293.08841	7.7
311.09894	2.1
449.14658	12.3
481.21231	0.9
481.27808	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	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95129	0.4
57.03458	2.9
57.90561	0.4
59.01392	5.9
60.99313	3.9
65.03983	0.5
67.01899	15.9
69.03455	5.3
71.01372	6.1
73.02945	0.9
81.03465	3.4
83.05031	3.7
85.02950	2.4
87.00872	19.5
89.02425	0.7
93.03453	100.0
97.02924	0.7
99.00856	0.9
99.04504	0.7
101.02448	2.2
109.03005	0.7
111.04516	10.8
113.02427	2.0
129.01921	2.3
133.02986	3.1
134.03743	29.0
135.04503	3.7
135.06689	0.6
137.02457	3.3
143.03479	0.5
152.99571	0.7
155.03513	4.0
157.22932	0.5
161.04613	0.6
173.04562	41.2
177.01913	2.2
178.02733	9.8
179.03386	0.8
180.37894	0.5
191.05589	0.9
215.60452	0.6
231.10269	2.0
275.09409	2.3
307.11841	5.7
421.20825	2.6
449.14627	9.1
481.17221	34.8
482.17145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1235
Annotation	N-[(7,8-Dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate
Peak:m/z	Relative Intensity
52.91386	0.2
59.01394	1.5
68.78813	0.2
71.01405	0.4
78.95911	5.5
79.95749	1.2
89.02464	0.4
92.10164	0.4
96.96016	100.0
96.96916	7.9
110.76229	0.2
116.50946	0.2
125.25256	0.2
127.27712	0.2
143.82462	0.2
180.62520	0.2
241.05103	0.3
250.95575	0.2
256.07523	0.2
314.54312	0.2
421.20761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	100.0
61.98844	82.4
66.35634	72.6
78.31998	64.4
102.50259	80.7
129.24170	68.5
135.11176	65.1
205.98697	72.4
263.70361	64.7
411.58160	79.7
450.78665	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.59011	0.7
63.19806	0.7
104.20261	0.7
134.03722	0.8
173.60619	0.8
257.38550	0.9
316.10986	0.7
318.52737	0.7
473.42108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76478	0.5
56.51835	0.5
59.01384	100.0
61.98840	1.1
74.50146	0.6
168.91248	0.7
217.00394	1.0
446.43814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
58.00604	1.0
59.01383	48.1
61.98835	1.3
71.01376	33.1
72.99322	1.7
73.02937	12.2
75.60998	0.7
79.95752	1.3
83.01392	3.6
85.02942	8.5
87.00874	1.1
89.02437	28.5
92.73156	0.8
93.03368	0.9
95.01375	1.2
96.96003	100.0
97.02961	0.8
99.00873	11.6
101.02438	23.2
111.78857	0.9
113.02451	9.9
114.39043	0.8
116.92883	0.9
119.03498	6.8
125.02401	1.1
131.03499	1.9
132.08226	0.8
133.02945	1.2
135.04512	1.4
149.04575	3.9
161.04559	4.3
179.05687	1.1
191.05611	5.2
216.76012	0.9
303.14456	1.7
381.17911	1.4
419.15625	7.3
435.18744	4.1
479.17749	49.6
485.32236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16201	0.4
51.87876	0.5
52.25137	0.4
54.82834	0.5
55.01896	0.9
58.00612	0.5
59.01389	11.2
60.33252	0.5
62.12947	0.5
63.48122	0.5
63.62909	0.6
69.26498	0.5
71.01383	8.3
73.02950	5.3
75.33625	0.5
81.03453	0.9
83.01369	0.9
83.65957	0.5
85.02971	3.8
87.04539	2.9
89.02450	5.0
93.03461	0.7
95.01417	1.2
99.00887	0.9
101.01881	0.6
101.02452	4.9
103.04050	0.5
106.71407	0.6
113.02471	3.6
116.85588	0.5
119.03577	1.1
119.05029	18.1
120.99675	2.3
121.02956	0.9
123.00860	2.5
127.39420	0.5
130.01566	0.6
135.06624	5.0
135.08165	4.9
137.02510	5.3
137.06088	6.3
137.09735	16.3
153.05626	0.7
155.10796	100.0
156.11078	0.7
166.99884	1.0
168.00655	0.6
169.12341	2.7
181.01414	2.2
181.08733	3.3
182.02187	3.1
183.03050	1.1
191.05663	1.9
197.04582	3.3
199.09804	26.0
213.11354	2.2
241.10872	6.2
330.77094	0.6
341.08932	7.7
419.20386	0.6
479.15649	8.2
479.21454	94.0
480.21951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05456	0.3
55.01880	0.6
57.03453	0.7
58.00615	0.4
59.01380	10.9
59.01651	0.5
59.75659	0.3
61.98843	0.7
63.70066	0.4
69.46188	0.3
71.01381	7.7
72.50024	0.3
72.99321	0.5
73.02950	5.6
81.03466	0.7
85.02956	5.6
87.04517	3.4
89.02445	4.7
93.03459	0.5
95.01376	1.6
99.00882	0.4
99.04575	0.4
101.02460	4.9
102.51403	0.4
103.04037	0.5
109.02940	0.4
113.02446	3.0
117.55810	0.4
119.03588	1.3
119.05024	12.2
120.99646	1.6
121.02934	0.6
123.00915	0.6
125.02438	0.8
135.04500	0.7
135.06656	2.8
135.08173	3.6
137.02440	3.3
137.06091	4.1
137.09727	16.8
139.11292	0.5
155.03529	0.4
155.10789	100.0
164.20105	0.4
166.99838	0.5
169.12291	2.2
179.10764	0.4
181.01428	2.0
181.08733	3.2
182.02197	1.6
183.02841	0.5
185.11845	0.4
191.05696	2.9
197.04526	2.7
199.09796	23.9
213.11339	1.7
241.10857	6.5
341.08832	5.8
479.15695	5.3
479.21399	83.1
480.21689	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	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61363	0.2
59.01379	1.9
61.01796	0.3
61.98836	100.0
71.01389	1.2
73.02962	0.3
89.02432	1.8
90.02783	0.3
90.65482	0.2
91.02895	0.3
99.00872	0.6
101.02470	0.3
149.04507	0.3
152.97227	0.2
280.56888	0.3
283.34900	0.3
357.53253	0.3
416.16357	0.3
418.16995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.9522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14026	0.4
59.01392	4.1
61.38860	0.5
76.57590	0.7
92.10221	0.8
95.08852	0.5
96.96026	5.0
104.68172	0.5
134.96086	4.3
136.94022	71.9
137.94107	0.7
151.92744	2.2
152.91789	18.7
167.90469	0.6
170.92883	0.9
175.13091	0.6
178.95088	100.0
194.92850	36.0
194.95569	1.0
196.96188	3.1
201.02570	1.2
205.13533	0.6
210.60847	0.6
210.90845	1.1
212.93898	8.1
250.94037	0.8
252.91942	3.5
274.88742	0.9
292.95114	1.4
294.92972	16.4
294.96384	0.7
314.86426	0.7
316.12466	0.6
320.96292	7.6
332.87827	8.6
336.83505	2.3
336.94055	71.8
337.33682	0.9
356.87759	0.7
367.81140	0.8
376.76544	1.1
376.81442	33.1
377.82172	6.0
418.82520	43.3
419.82547	2.6
426.30078	0.8
434.80353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47582	1.2
59.01387	31.5
61.98837	1.9
65.13649	1.2
69.16897	1.1
70.90463	1.3
71.01385	17.7
71.54555	1.2
72.99309	1.7
73.02946	6.2
75.55070	1.4
83.01424	1.3
85.02959	9.0
87.04506	2.9
89.02451	11.9
92.10039	2.1
93.03470	1.6
99.00890	2.1
101.02447	10.0
113.02452	1.4
116.92844	1.4
125.02454	1.8
134.03726	7.7
135.04518	2.2
135.06619	2.5
135.08138	2.6
137.09743	15.2
149.04536	2.1
149.06026	1.6
149.32993	1.2
155.10803	100.0
166.68364	1.2
169.12363	2.3
173.04599	2.1
181.08691	2.7
191.05710	11.3
199.09795	22.4
210.34254	1.3
233.06676	2.1
241.10707	5.5
252.09431	1.3
293.08908	11.3
299.10611	1.5
425.48672	1.6
435.26520	2.0
479.14377	3.2
479.21280	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13319	0.5
59.01386	5.3
61.98825	1.1
63.39779	0.5
65.92155	0.5
67.25911	0.5
70.45262	0.6
117.03474	21.4
119.05025	10.5
121.02953	1.0
127.11254	1.0
135.36673	0.6
137.27742	0.7
145.02971	100.0
146.03261	0.8
148.71625	0.7
157.12302	0.7
163.03998	4.8
240.73433	0.7
274.02966	0.7
313.23932	0.9
331.24924	13.8
477.28549	31.1
477.34686	1.6
478.00793	0.7
503.51535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58693	0.5
59.01400	2.7
63.47166	0.6
117.03484	17.1
119.05032	7.2
121.03004	0.7
127.11295	1.2
135.85645	0.7
145.02966	100.0
163.04031	5.5
178.44025	0.7
272.75089	0.8
290.45859	0.8
297.57620	0.8
313.24008	1.3
331.24905	13.8
477.28577	31.8
477.34689	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	477.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	72.2
61.98838	3.2
73.71909	2.6
78.12235	2.8
80.17078	2.3
82.91318	3.1
97.16504	2.9
101.24738	3.1
111.08155	3.6
114.27493	3.2
117.03480	14.6
118.38802	3.1
125.76290	2.9
133.02969	11.7
134.03743	100.0
135.04515	18.4
137.02449	4.3
139.11293	6.6
145.02954	15.0
149.06009	5.6
160.01668	51.6
161.02461	40.9
175.04031	58.8
178.02675	6.0
179.03474	4.0
183.10226	26.1
184.10571	19.1
185.10886	3.9
193.05104	36.5
221.19145	17.9
235.25793	3.2
265.18085	10.0
275.20108	13.0
276.20526	33.4
277.20795	14.8
283.19183	13.7
291.23294	4.9
292.23605	14.6
293.24091	5.7
301.20151	17.9
378.81711	3.1
451.28012	3.2
476.34650	30.8
477.24899	85.8
477.35364	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31080	1.8
59.01398	13.1
61.98844	1.8
71.59418	1.7
89.04005	2.2
115.94328	1.9
117.03470	9.1
126.46635	1.9
132.02194	7.0
133.02959	10.4
134.03752	100.0
135.04532	16.8
143.49460	2.1
149.06105	4.5
160.01674	40.0
161.02463	42.3
172.96356	1.8
175.04030	50.6
178.02756	2.4
179.03526	3.5
193.05089	32.1
221.19159	16.6
228.62941	1.8
265.18149	8.7
283.19135	13.3
301.20248	18.4
359.00546	2.1
417.30154	3.7
477.25085	71.9
477.32428	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	477.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49216	0.1
59.01383	0.7
71.01386	0.4
72.99319	0.2
78.95902	3.2
79.95735	1.4
85.02975	0.2
89.02463	0.2
96.96008	100.0
96.96896	5.1
114.39520	0.2
121.02931	0.4
191.05557	0.2
197.04530	0.4
209.09827	0.2
215.64700	0.2
273.64224	0.2
300.99969	0.2
315.08734	0.4
433.19434	0.2
477.16272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42629	1.3
58.00605	2.5
59.01387	73.3
59.36589	1.1
60.49974	1.3
66.23936	1.3
67.42043	1.3
67.99889	1.4
69.03477	9.1
69.92161	1.4
71.01389	71.1
71.18888	1.4
73.02608	1.4
73.02936	11.7
75.00883	2.9
75.67383	1.3
80.91681	1.7
81.03489	5.5
83.01395	5.3
85.02946	11.1
89.02449	96.2
95.01427	3.3
95.05074	2.8
96.07505	1.3
96.96031	9.3
97.02956	13.4
99.00904	16.7
99.04565	2.0
101.02454	14.7
109.02949	3.0
113.02477	3.2
115.03999	10.4
115.58929	1.3
121.03014	2.0
123.00874	1.6
123.04525	93.4
125.02444	44.0
131.03513	7.5
143.03485	2.0
149.04568	8.7
161.04576	1.6
172.13878	1.7
191.05655	7.6
196.97598	1.5
233.06686	29.3
288.55533	1.5
293.08817	100.0
298.03058	1.4
417.14008	10.9
429.64304	1.5
457.76550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
60.52880	0.4
61.98845	1.4
78.78658	0.4
78.95901	8.0
92.10744	0.7
93.65785	0.4
111.97163	0.3
135.04524	0.5
140.01201	2.1
152.99594	0.6
161.02467	0.5
196.03676	0.4
214.04883	2.3
225.14857	0.4
232.93471	0.4
258.54953	0.3
261.22385	0.4
279.23337	100.0
280.23767	0.8
321.84119	0.5
476.27850	10.9
476.34595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1048
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
54.82601	1.7
55.11339	1.4
57.03447	1.7
59.01388	43.7
61.98845	2.1
71.01382	19.6
73.02940	12.1
83.01426	2.0
85.02962	9.3
88.98820	1.6
89.02440	23.0
92.65493	1.9
93.03456	2.9
99.00884	8.5
101.02449	15.1
108.02187	57.4
109.02965	57.7
109.06495	1.5
113.02467	7.2
116.92875	1.7
120.99674	2.6
123.04533	2.3
125.02443	2.5
131.03528	2.1
133.02963	29.9
135.04536	44.9
136.88158	1.7
137.02455	2.8
145.02957	2.3
149.04507	2.6
151.00420	2.6
151.04094	2.1
151.99945	3.1
152.01169	76.3
153.00842	2.7
153.01968	49.2
161.02463	74.1
163.04117	2.3
177.01971	3.2
178.06258	2.3
179.03563	13.5
191.05627	9.2
193.08771	2.5
275.96216	1.7
287.15497	1.5
315.07294	49.4
417.20807	1.9
433.11633	1.7
441.13470	3.0
477.10455	100.0
477.19650	14.6
481.23083	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	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.7
61.98835	1.4
64.16109	0.8
64.34428	1.1
66.00977	0.8
68.66969	0.7
69.13291	0.7
78.95905	100.0
92.10881	1.5
96.05519	0.8
96.96969	9.1
143.55733	0.8
145.03036	1.4
152.99573	15.8
171.00665	17.3
211.97676	0.9
289.42798	1.0
402.24167	1.7
432.61435	0.9
476.27954	50.0
476.34296	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	476.2787
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01400	2.2
61.98836	0.4
63.76518	0.3
76.02572	0.3
78.95906	20.8
92.10807	0.8
93.58743	0.4
122.00177	0.4
127.77605	0.4
140.01207	6.9
152.86073	0.4
152.99577	1.8
161.02460	0.5
162.78954	0.4
196.03831	8.2
214.04912	2.2
261.22449	0.4
279.23309	100.0
280.23663	0.7
317.73727	0.4
390.04074	0.4
394.42786	0.4
476.27893	26.8
476.34299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3439
Annotation	Oogoniol
Peak:m/z	Relative Intensity
54.50391	0.3
55.21843	0.3
55.30126	0.3
55.84383	0.3
59.01384	2.5
60.99304	0.6
61.98846	0.4
71.01390	3.8
71.05034	2.1
73.02934	0.5
78.11447	0.4
86.85858	0.3
92.10089	0.8
95.05055	0.7
109.06633	0.6
109.71400	0.4
111.08167	15.3
119.05055	0.4
123.08125	4.3
130.40884	0.4
132.77718	0.4
135.08182	7.9
137.09738	1.9
139.11305	22.1
142.84895	0.4
143.39592	0.4
145.02977	0.8
165.07777	0.4
165.09209	19.1
183.10275	100.0
215.33742	0.4
259.17151	3.0
273.18521	0.9
274.15353	0.4
275.20206	90.6
276.20526	0.8
291.23343	44.1
305.21365	0.5
397.37192	0.4
408.37668	0.4
413.34088	0.5
457.32864	0.5
475.34402	93.4
476.34671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03905	1.2
59.01385	13.1
61.98845	1.8
72.29946	1.2
117.03473	23.2
119.05038	8.8
145.02974	100.0
163.04028	6.1
171.10332	2.6
183.10316	7.3
236.02324	1.4
275.20258	7.1
291.23450	2.2
329.23407	13.5
333.77335	1.5
352.62207	1.3
457.32642	2.0
475.27090	31.4
475.34354	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	475.307
Annotation	Polyporusterone C
Peak:m/z	Relative Intensity
65.81302	1.5
73.50781	1.5
108.41015	1.9
125.06091	8.4
151.04057	10.9
177.01965	1.8
188.88419	1.7
217.08771	2.8
217.24153	1.7
221.08267	4.3
230.88530	1.7
235.09781	100.0
236.10428	7.3
249.11502	3.1
318.95395	2.3
375.21771	14.3
467.27667	1.8
475.30737	73.7
498.50421	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03882	8.5
59.01393	98.3
61.98826	20.6
70.45560	12.8
77.41087	11.0
145.03024	20.1
195.52780	13.0
221.13707	12.2
231.28169	13.0
296.67383	12.4
336.89197	12.7
415.32251	52.4
419.86456	13.8
474.36377	85.2
475.26517	15.6
475.35510	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	475.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69721	6.8
58.50692	7.7
59.01384	100.0
60.32398	8.3
69.18539	8.1
92.10767	9.7
92.91001	8.3
118.26431	9.2
168.55907	9.9
226.08382	8.9
231.81270	9.6
286.93280	11.0
303.23038	10.4
344.56689	8.8
380.15082	10.5
386.44321	9.9
404.01929	9.1
457.33130	9.2
474.36432	27.3
474.56906	10.0
475.34454	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.6
56.35145	3.6
59.01387	49.5
60.99316	5.4
69.77573	3.2
70.17184	3.4
71.01391	27.3
73.02946	15.8
83.01365	3.7
85.02981	15.0
88.98815	51.4
89.02476	17.2
92.10747	7.0
92.22939	3.8
96.96075	3.6
99.00898	3.8
101.02470	26.5
116.92847	4.7
121.02957	100.0
134.81551	4.0
135.04575	14.1
147.04549	7.3
161.04517	4.4
163.04037	29.0
175.03992	4.6
185.74261	3.5
191.05637	47.1
193.05110	7.8
201.18947	3.8
218.74278	3.5
253.07196	4.3
276.44217	4.2
276.73581	3.8
307.17664	16.2
402.35175	4.0
437.20840	4.4
439.21945	71.8
475.19589	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78467	0.4
54.83048	0.3
59.01387	53.2
59.29568	0.3
61.98844	1.0
66.22110	0.3
67.17519	0.3
69.08344	0.3
71.01389	2.5
71.51585	0.3
73.02938	0.7
78.64289	0.4
85.02959	0.6
89.02451	1.9
92.10113	0.8
93.03465	1.5
96.96020	0.9
99.99069	0.4
101.02473	0.7
103.30007	0.4
108.81911	0.4
113.02470	0.6
114.40149	0.4
121.02953	0.7
135.04573	1.4
137.02415	0.9
145.02992	1.0
146.03758	54.4
147.04547	1.5
157.08987	0.4
161.02480	0.6
161.04735	0.8
161.06073	17.2
162.54897	0.4
163.04037	1.9
164.04814	37.9
179.07152	100.0
180.07466	0.5
191.05640	0.9
224.17291	0.5
256.85458	0.4
279.41077	0.5
415.16159	1.9
475.14786	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	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
69.03467	13.3
71.01389	93.1
72.99311	3.7
73.02966	15.8
81.03461	2.6
83.01411	5.3
85.02966	18.5
89.02450	96.8
89.14016	2.6
92.10107	4.4
97.02966	12.6
99.00887	16.4
101.02448	25.8
113.02435	13.4
115.04031	11.4
120.99512	3.0
121.06593	65.1
122.00732	2.5
125.02452	57.2
127.03902	2.6
131.03497	5.3
134.25702	2.6
135.98306	3.0
143.03545	2.4
149.04579	18.8
161.04559	5.3
173.04616	3.0
191.05647	20.7
233.06697	33.9
293.08859	90.0
415.16196	35.7
491.36932	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	475.183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00621	2.8
59.01391	100.0
64.34706	1.8
67.76049	1.5
69.03477	10.2
71.01387	78.3
71.01778	2.8
73.02942	15.0
73.14867	1.5
75.00898	3.4
75.50294	1.4
81.03472	3.8
83.01403	2.8
85.02946	15.6
87.00886	3.1
89.02444	90.0
93.03470	2.3
97.02946	16.8
98.02616	1.6
99.00883	21.6
99.04527	1.8
101.02438	19.0
106.04294	2.1
111.00857	2.7
112.07358	1.6
112.42537	1.8
113.02463	10.7
115.04014	9.1
121.06594	45.7
125.02441	45.2
131.03471	7.7
143.03465	2.9
149.04535	13.4
149.97726	1.6
155.10796	4.0
161.04573	3.7
171.55515	1.6
186.63852	1.8
191.05635	17.9
233.06700	25.4
270.47638	1.7
272.02850	2.1
293.08817	87.3
316.11014	1.7
320.06253	1.8
415.16147	18.5
474.62549	4.0
475.17975	7.4
475.24081	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	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
69.03467	13.3
71.01389	93.1
72.99311	3.7
73.02966	15.8
81.03461	2.6
83.01411	5.3
85.02966	18.5
89.02450	96.8
89.14016	2.6
92.10107	4.4
97.02966	12.6
99.00887	16.4
101.02448	25.8
113.02435	13.4
115.04031	11.4
120.99512	3.0
121.06593	65.1
122.00732	2.5
125.02452	57.2
127.03902	2.6
131.03497	5.3
134.25702	2.6
135.98306	3.0
143.03545	2.4
149.04579	18.8
161.04559	5.3
173.04616	3.0
191.05647	20.7
233.06697	33.9
293.08859	90.0
415.16196	35.7
491.36932	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	475.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31937	1.1
57.09282	1.0
59.01385	36.0
71.01384	15.1
78.03524	1.6
81.21059	1.4
81.37377	1.3
83.01408	1.3
85.02964	6.7
89.02452	8.1
91.20899	1.3
91.46514	1.6
92.10770	6.0
93.03448	26.2
95.01393	1.3
101.02451	2.3
104.05081	2.2
106.06637	13.0
108.08200	24.2
113.02437	3.0
137.02451	36.3
140.42870	1.7
148.04053	46.5
152.07138	10.2
160.01776	1.5
160.04062	33.7
161.04845	42.4
162.05652	6.9
164.03458	1.5
166.08688	5.3
175.02727	2.7
192.03008	1.8
193.03769	19.1
223.02029	1.4
240.10339	2.1
242.11923	2.8
267.11417	7.1
268.25421	1.4
269.12991	84.7
269.15927	2.8
274.28259	1.4
295.10913	69.4
313.12003	59.4
355.12985	13.9
475.17303	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	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84375	0.7
55.01892	5.4
57.03457	3.1
58.00605	1.2
59.01386	33.4
60.87433	0.8
69.03468	0.9
71.01382	50.4
73.02947	23.7
82.95432	4.1
83.01373	9.2
85.02954	26.7
87.00854	3.0
89.02441	12.9
95.01402	4.4
96.95992	1.1
97.02947	3.7
99.00882	7.9
101.02444	37.4
109.02942	0.9
113.02448	20.0
115.04002	1.5
125.02428	4.6
131.03508	1.6
135.04512	1.0
143.03526	3.2
149.04515	0.9
151.04022	1.1
153.02010	0.9
159.02995	4.6
161.04568	14.6
169.80434	0.8
173.50708	0.9
177.01930	4.5
191.05661	1.8
196.87599	0.9
233.06697	1.4
253.00070	0.9
267.52356	1.2
283.11911	29.4
293.08759	1.3
413.51178	1.1
415.16174	100.0
416.16849	1.1
439.21689	2.9
475.19485	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	475.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.6
65.03968	3.0
66.02689	0.4
71.01404	1.6
72.99311	5.5
72.99638	0.3
74.56911	0.3
85.02976	0.3
89.02486	2.1
91.01903	2.0
92.10088	0.4
96.96036	0.6
101.02458	1.6
103.54750	0.4
107.05045	2.6
108.02197	0.3
109.02969	9.2
110.64304	0.3
119.05008	3.8
133.02954	6.0
135.00845	3.6
135.04544	3.7
143.07268	0.3
147.04547	9.9
151.04019	100.0
152.04315	0.4
153.01918	2.3
161.02449	17.1
161.06030	0.4
163.04076	2.5
177.05629	0.4
179.03525	1.7
182.02328	0.4
191.03535	7.6
209.04546	2.5
233.04686	1.5
251.05629	1.3
348.20609	0.4
355.35852	0.4
475.14606	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	475.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18684	0.3
51.19035	0.3
54.82511	0.4
59.01400	2.9
61.98838	4.2
64.53921	0.5
66.45202	0.4
71.01391	2.3
85.02935	0.4
89.02467	2.3
96.96012	2.4
99.00976	0.4
101.50433	0.5
112.98806	0.8
121.02959	100.0
135.04565	0.6
137.40266	0.4
151.04010	4.4
154.58519	0.4
164.04823	0.4
191.05620	1.0
192.23091	0.4
200.20190	0.4
201.88141	0.4
202.34695	0.4
205.08656	0.7
293.08801	2.7
475.14401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90931	0.5
59.01391	2.4
61.65131	0.4
61.98835	0.7
71.01377	0.8
75.46037	0.5
85.02962	0.8
89.02477	0.6
92.10133	2.0
93.03461	79.6
125.59117	0.6
132.02203	0.7
133.02896	0.5
134.03786	5.3
137.02460	100.0
160.01685	7.7
166.67982	0.5
168.99094	0.5
175.04054	7.3
191.05620	0.6
193.05107	2.0
337.09274	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	475.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82659	1.2
59.01394	9.9
60.99317	19.3
71.01386	19.7
73.02917	1.3
75.14226	1.3
77.15490	1.3
80.08773	1.3
85.02975	5.4
87.79259	1.1
88.98808	89.5
89.02436	2.8
91.05544	2.6
99.00872	1.4
101.02399	1.3
110.70809	1.1
113.02454	4.6
115.00384	6.7
120.99670	8.3
121.02958	71.7
123.00877	13.6
132.02171	1.4
133.31584	1.1
134.03709	2.1
135.04462	1.2
138.03242	64.2
153.05594	100.0
160.01663	5.9
161.02196	5.7
175.03998	6.0
176.04407	1.9
177.04454	1.7
191.05612	6.3
195.01221	2.1
210.03650	5.0
214.75636	1.6
225.05920	41.4
237.04152	1.8
267.07251	2.9
271.41391	1.2
272.76447	1.3
313.07553	5.8
322.00638	1.3
385.11389	6.8
387.11258	10.5
470.11057	1.5
475.12311	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	475.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64096	0.1
63.03048	0.2
66.69533	0.2
71.01383	21.6
72.99306	5.0
73.34171	0.2
73.39717	0.2
87.00883	1.0
89.02441	4.0
115.00377	64.1
133.01437	100.0
134.01765	0.2
180.77731	0.2
191.05605	0.8
229.88353	0.2
291.38956	0.2
336.74454	0.2
341.39993	0.2
388.69287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82478	0.5
56.16288	0.4
77.08486	0.4
92.10886	0.9
92.93153	0.4
138.83249	0.4
251.19669	0.4
313.73553	0.5
320.55231	0.5
427.35782	0.5
473.36456	100.0
474.36792	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	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31059	0.5
58.08277	0.5
59.01397	3.8
59.73595	0.6
61.98838	1.3
78.95912	7.6
113.72779	0.7
140.01233	3.4
162.83890	1.4
196.03935	1.0
214.04945	3.5
275.20065	0.9
277.21765	100.0
278.22128	1.3
412.33438	1.0
455.35587	0.7
456.36075	2.5
473.32092	2.0
474.27078	8.9
474.32898	4.5
474.36826	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	473.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65487	0.3
58.74902	0.4
59.01387	4.9
59.46507	0.3
60.73515	0.3
69.82895	0.4
90.09395	0.5
99.44868	0.4
152.08458	2.6
160.52278	0.5
250.69287	0.4
297.28943	0.4
363.47702	0.4
411.32846	1.6
413.30832	1.8
425.34271	0.5
427.35712	1.9
429.33896	6.8
473.36874	100.0
474.36920	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	473.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52619	0.8
56.26064	0.7
56.90730	1.0
57.38600	0.8
59.01377	7.5
61.98848	0.9
65.21697	0.9
68.04330	0.9
81.03477	3.9
93.41749	1.0
97.06553	1.1
135.90611	1.0
137.09666	1.7
139.31815	1.1
149.09752	1.5
159.10278	13.6
164.20781	1.0
245.59167	1.2
281.53470	1.0
327.23270	10.4
329.24936	12.4
331.24985	9.5
343.26450	19.1
355.26489	2.2
387.26642	1.2
409.31351	1.3
411.32767	74.7
429.33881	1.4
455.31750	49.0
473.32852	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	473.3282
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
54.13897	1.2
56.47086	1.1
59.01400	7.6
69.93594	1.1
71.05019	1.2
73.13085	1.1
77.69067	1.0
79.13924	1.1
82.23904	1.3
129.60565	1.4
137.02914	1.3
143.10806	1.6
156.66147	1.7
172.21779	1.3
201.98459	1.3
217.00433	1.7
263.20111	9.3
290.63507	1.8
391.30289	6.2
393.31812	7.2
395.29578	2.1
398.28510	1.6
407.29562	2.2
409.31372	6.4
411.32794	58.9
425.31406	1.7
455.31738	33.6
458.68820	1.6
473.32883	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	473.3277
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
54.02559	0.4
54.82697	0.6
59.01392	3.3
59.05872	0.5
69.49620	0.5
74.08768	0.4
76.74513	0.6
97.06572	1.1
100.42704	0.5
107.31310	0.5
109.26025	0.5
115.03873	0.5
151.11220	0.8
158.82782	0.4
166.78741	0.4
174.99121	0.5
176.07916	0.5
177.85580	0.5
181.96535	0.4
195.16316	0.5
217.00337	2.0
275.20261	0.6
307.36392	0.5
336.48114	0.5
339.35681	0.5
370.43036	0.5
391.30191	3.2
395.29541	3.6
409.31235	3.0
411.32803	18.2
411.37985	0.9
429.33994	1.0
455.31827	1.0
473.32825	100.0
474.33340	1.1
496.49069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46591	0.6
59.01395	3.4
59.10107	0.5
64.34788	0.6
86.23344	0.6
88.70379	0.6
101.90997	0.6
122.63939	0.8
178.53516	0.7
377.28799	1.3
391.20242	0.7
391.30048	5.1
393.27301	0.8
393.31854	4.5
395.29565	15.3
407.29767	3.7
409.31097	14.4
411.32767	72.8
429.34143	0.9
437.30710	0.9
455.25311	1.5
455.31766	55.7
473.32809	100.0
474.33008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3277
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.02032	0.7
57.03449	5.0
59.01387	4.1
61.98841	0.7
71.81635	0.6
78.87768	0.6
85.02954	15.0
112.59090	0.6
167.56474	0.6
174.99240	0.7
176.93683	0.8
189.12871	2.8
199.11343	0.6
273.18750	0.9
377.28357	1.0
389.28549	0.8
391.30151	5.4
393.31885	5.4
395.25146	1.1
395.29361	6.8
397.31046	4.5
407.29507	1.6
409.31335	2.7
411.32785	37.7
416.27603	0.7
425.30579	1.5
427.32254	0.7
429.33990	9.1
455.31784	16.3
470.04593	0.8
473.32822	100.0
474.33395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.02871	1.4
70.44776	1.3
71.05044	1.4
101.06039	1.6
102.08147	1.5
139.65840	1.3
146.87738	1.4
153.29071	1.4
189.12869	3.4
191.14445	9.5
193.16167	1.4
235.17097	1.7
237.14996	15.5
250.46902	1.5
261.18607	1.9
329.52527	1.5
343.32776	1.4
407.58365	1.8
411.32513	6.3
429.33856	7.5
455.31552	2.9
472.28842	2.6
472.35291	71.2
473.34747	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88284	1.3
56.62111	1.3
57.00188	1.3
59.01390	100.0
61.98830	1.9
66.55904	1.0
68.73196	1.1
71.01408	2.8
74.33219	1.2
82.73705	1.2
85.03011	1.9
86.86998	1.3
94.65324	1.2
97.06555	1.2
109.34318	1.3
119.05067	1.3
179.14476	4.8
183.10313	2.0
191.05647	1.3
237.15002	1.5
289.21738	2.1
401.30679	2.2
411.32822	2.4
413.19214	2.5
422.89682	1.7
429.34106	3.0
455.31824	8.3
472.35367	9.3
473.32645	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.9
57.03450	1.5
58.00589	1.0
59.01387	56.3
69.03457	1.6
71.01383	47.1
73.02945	20.7
75.00867	0.9
78.54501	0.7
78.97002	0.7
81.20789	0.8
81.60546	0.8
82.39909	0.7
83.01367	6.1
85.02954	15.8
87.00858	1.5
87.04513	1.6
88.98823	1.8
89.02447	53.7
95.01385	2.0
96.96010	10.4
97.02950	3.8
98.95599	3.2
98.96402	0.7
99.00883	16.6
99.04514	1.1
101.02439	36.5
108.04589	1.2
113.02453	13.9
113.51870	0.8
115.03993	6.2
117.05576	1.0
119.03518	8.6
119.07156	5.5
124.25970	0.8
125.02482	6.1
125.03238	0.9
131.03531	5.9
133.05074	2.9
143.03520	1.8
149.04572	9.8
149.05591	1.0
149.06261	0.8
151.06114	0.8
159.03104	1.0
159.04507	0.8
161.04576	11.0
173.04561	0.9
177.05580	1.8
179.05673	1.3
191.05640	8.9
233.06703	4.8
251.07774	1.1
281.12469	17.5
293.08759	1.6
295.10425	4.6
383.36249	0.9
405.32379	0.9
413.16702	100.0
455.06552	1.4
492.98489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81075	0.2
59.01387	100.0
70.08324	0.3
71.01379	0.5
90.52462	0.3
92.64759	0.3
105.35487	0.3
106.90739	0.2
116.91578	0.3
119.05032	0.4
145.02959	0.5
146.03300	0.4
157.12323	0.4
166.30008	0.3
248.91364	0.3
344.06351	0.3
345.27673	0.4
365.66022	0.3
373.31189	1.6
383.29379	0.4
395.29547	1.1
399.29050	0.5
401.30893	0.5
411.32791	1.9
427.32254	1.5
429.29141	2.7
429.34705	0.5
455.31894	1.7
473.31561	9.7
473.37067	3.9
482.95905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24868	1.2
58.00579	1.6
58.03775	1.4
59.01388	74.0
60.14125	1.2
65.60019	1.3
69.03470	7.3
71.01385	60.1
71.01778	2.3
72.99333	5.8
73.02952	10.2
73.14799	1.4
75.00864	1.5
83.01405	2.5
85.02967	13.5
87.29013	1.2
89.02442	65.4
93.03445	2.2
93.90037	1.5
95.01369	2.6
96.96032	7.6
97.02962	10.2
99.00867	11.8
101.02431	14.6
111.00903	2.0
111.86239	1.4
113.02490	7.4
115.04028	8.2
119.05029	100.0
125.02445	29.5
131.03458	5.8
143.03491	2.9
147.04568	2.4
149.04622	10.6
191.05652	9.6
199.66591	1.4
233.06688	16.2
285.04150	2.8
293.08865	60.8
319.06110	1.7
413.14777	2.3
435.22113	2.0
437.20334	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	473.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42222	3.2
58.99609	5.3
59.01394	58.4
61.98854	5.5
71.01396	44.9
73.02929	4.2
83.01385	3.7
85.02955	8.0
87.00886	25.6
89.02464	54.3
93.03510	3.4
97.02975	3.2
97.80453	3.2
99.00880	5.9
100.10070	2.8
101.02444	8.6
102.98614	31.9
113.02430	6.1
125.02390	13.6
131.03513	5.0
137.09726	18.4
143.10767	25.6
149.04544	15.8
163.11417	5.2
191.05542	4.4
223.11626	100.0
233.06638	4.4
249.06194	15.1
280.16364	3.7
283.04892	28.9
293.08807	75.6
329.06461	34.3
472.88928	4.0
473.18100	74.6
496.59827	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	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48237	0.4
58.00360	0.5
58.00647	0.5
59.01391	11.2
61.98840	0.8
62.90804	0.4
71.01398	7.5
72.99311	1.0
73.02969	0.8
75.00912	0.5
83.01439	0.5
85.02953	5.2
87.00875	0.9
89.02441	6.3
93.03477	2.7
99.00848	0.6
101.02433	3.8
107.05055	0.6
111.04604	0.6
113.02465	2.5
116.26413	0.5
117.03465	23.3
119.03633	1.0
119.05029	21.3
121.02964	0.8
123.04554	0.6
127.04005	0.8
128.05112	0.5
130.08772	0.7
133.02975	0.6
133.06589	2.0
135.04524	0.8
145.02965	100.0
147.04544	1.0
151.04002	2.9
159.04541	0.6
160.01648	0.9
161.04825	0.6
161.06004	4.2
163.04015	27.1
165.07732	2.7
170.05789	0.5
175.04053	1.2
177.05540	2.2
187.04015	0.6
191.05634	15.1
192.05980	2.9
205.05156	3.6
235.06116	1.2
265.07227	2.3
294.78345	0.5
325.09213	0.6
401.06458	0.7
437.20236	2.6
473.16809	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03881	0.5
59.01394	10.9
71.01417	5.5
73.02975	0.8
78.85562	0.6
85.02962	3.3
89.02450	5.7
101.02457	4.2
101.99026	0.6
103.54948	0.7
113.02468	3.0
117.03487	4.3
119.03459	1.0
132.02188	19.0
133.02959	2.9
134.03755	37.6
135.04492	0.9
135.06633	2.9
149.06088	4.0
160.01674	100.0
161.02147	0.8
175.04025	85.4
176.04684	1.6
177.01859	1.0
191.07123	1.7
193.03354	1.1
193.05081	30.5
207.06743	1.3
220.03665	0.8
235.06168	7.0
295.08279	0.9
318.29630	0.7
473.16745	67.7
498.72211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59341	0.8
59.01385	20.6
61.98835	0.8
71.01412	1.4
73.02938	1.7
73.80091	0.7
85.02968	1.7
87.00903	1.0
89.02485	1.5
93.03461	1.3
96.95972	0.9
108.02203	1.7
116.92848	1.3
121.02982	1.1
125.02434	0.9
133.02954	5.3
134.03745	100.0
135.04533	1.7
136.01665	51.0
145.02930	1.4
149.06094	93.0
151.04018	59.6
152.01173	1.8
160.01678	3.5
161.02377	1.3
167.03496	3.7
167.07062	0.9
173.04599	1.5
175.04041	1.4
191.05629	10.7
193.05103	1.3
211.06094	4.6
261.84116	0.8
261.94116	0.9
274.77747	0.8
402.99783	0.9
409.35562	1.1
415.12677	8.3
455.15884	1.7
473.17215	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	473.1435
Annotation	Peperomin F
Peak:m/z	Relative Intensity
51.17765	1.9
58.32077	2.0
59.01384	18.4
61.98851	3.8
69.90516	2.0
71.01408	14.2
73.02989	4.4
74.84773	2.0
76.57605	2.2
85.02979	5.6
89.02448	28.3
96.96020	4.0
98.09886	2.0
99.00895	3.8
101.02451	13.2
113.02431	4.3
117.74702	2.5
119.03540	2.7
125.06115	3.8
126.34847	2.3
137.13402	2.1
141.09825	2.3
149.04567	3.4
191.05664	4.2
208.42932	2.9
281.49454	2.6
305.12518	10.0
435.14941	3.0
437.16727	100.0
473.14417	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07844	1.4
56.32814	1.9
59.00025	1.3
59.01384	74.8
59.10659	1.4
61.98851	2.0
64.42660	1.7
71.01384	33.7
72.99317	8.6
73.02963	7.1
75.00877	34.4
75.84194	1.7
76.91402	1.5
83.01386	1.9
85.02969	4.0
85.66721	2.0
87.00879	3.2
88.98826	9.4
89.02444	33.0
93.03429	2.5
96.96015	28.4
99.00909	7.0
99.04603	1.9
101.02451	25.6
108.02210	2.0
113.02473	9.3
116.92879	16.3
117.03472	31.9
119.03507	11.7
119.05046	25.9
121.02944	2.6
125.43221	1.8
125.44427	1.6
132.02174	7.5
133.02953	8.0
134.03754	65.2
135.04524	3.9
137.02493	7.0
145.02979	100.0
147.04562	13.5
148.05257	1.8
149.04535	2.8
149.06084	13.7
160.01657	47.7
161.02489	15.7
161.04503	2.4
161.06067	3.1
162.03242	65.5
163.04036	33.7
175.04021	51.9
176.04753	22.9
177.01926	4.0
177.05586	52.7
178.02684	4.0
179.03561	1.9
179.05618	2.7
191.03529	6.9
191.05586	15.6
191.07158	28.2
191.43513	1.6
192.04372	2.3
193.05095	62.1
197.30867	1.8
205.05038	2.4
207.06622	7.2
220.03729	3.4
235.06152	45.3
259.31619	2.4
265.07233	10.2
271.02484	1.8
297.08389	53.6
298.57007	2.5
304.07013	3.7
397.11359	3.8
411.24756	1.8
437.20117	8.4
470.64697	1.9
473.12952	62.9
473.17535	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Odoratone
Peak:m/z	Relative Intensity
51.85974	0.7
56.64391	0.7
57.00539	0.6
58.76115	0.6
59.23037	0.6
62.54432	0.6
83.00983	0.8
84.09581	0.8
92.99256	0.8
104.90916	0.8
106.19318	1.0
116.92863	1.2
224.43614	0.9
383.32605	0.9
471.34866	100.0
472.34937	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	473.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23978	1.1
55.93719	1.4
59.01384	13.0
61.98842	8.9
71.01398	9.7
73.02943	2.4
82.51108	1.4
83.01390	1.8
85.02975	2.4
87.00868	1.5
89.02470	10.1
93.03461	2.8
96.96021	11.2
99.00896	5.6
101.02438	2.7
107.05077	1.2
109.02961	55.4
111.00890	32.6
116.92884	5.0
118.98083	2.5
119.05035	6.2
119.07120	1.4
119.21884	1.3
121.02953	3.0
123.04539	1.4
125.02423	1.4
133.02927	1.5
135.04518	44.1
135.05504	2.6
139.04033	1.4
147.04498	1.8
149.02393	4.7
149.04625	1.5
149.06078	11.2
151.03986	1.7
159.04488	7.4
160.04077	4.7
161.02429	1.8
161.04393	6.5
162.03238	7.6
163.03970	8.7
165.05615	1.9
173.04520	2.0
175.04022	5.7
177.02061	1.4
177.05576	43.2
179.03465	15.5
189.05595	2.8
191.03526	5.6
191.05588	7.4
203.03569	2.1
219.02974	7.1
219.06638	7.1
221.04575	100.0
231.06595	1.9
261.30408	1.4
263.05457	2.1
267.08707	1.8
282.35623	1.3
293.06702	5.3
311.07776	63.6
353.08725	1.6
383.09811	2.7
413.19431	1.8
473.12973	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25640	0.3
56.17268	0.2
72.29187	0.3
76.33472	0.3
103.43851	0.2
104.40408	0.3
107.91331	0.3
113.91194	0.3
113.91991	0.3
393.31696	0.5
405.31754	0.4
423.32666	0.6
457.75287	0.4
471.34882	100.0
472.35141	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	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96459	0.2
56.87825	0.1
71.83060	0.2
78.01256	0.2
110.71570	0.2
112.94650	0.2
260.86038	0.2
263.94586	0.2
264.95874	0.2
471.34869	100.0
472.35037	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	471.3488
Annotation	Wilforic acid C
Peak:m/z	Relative Intensity
72.76801	0.2
83.05054	0.3
139.26334	0.3
158.62811	0.3
249.72804	0.3
407.33102	1.5
409.34659	0.4
411.33066	0.4
425.34302	0.4
427.35919	12.9
453.28421	0.4
453.33850	10.8
471.34888	100.0
472.35138	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	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38419	0.4
59.01392	4.0
61.98849	0.6
64.06257	0.4
69.14223	0.4
92.10741	0.9
97.06599	0.5
116.11861	0.5
131.73738	0.5
148.56844	0.4
160.84280	3.1
162.83940	10.1
170.33998	0.5
223.17059	0.6
251.05960	0.5
261.82562	0.5
309.20898	0.6
337.66858	0.5
343.89963	0.5
349.17148	5.9
351.18604	9.1
365.00345	0.6
367.00116	0.6
395.17776	1.0
409.19037	0.5
411.20749	16.7
423.32645	0.8
425.34558	0.7
427.32443	1.1
434.07996	1.0
435.08063	0.7
436.07144	0.8
453.30438	0.6
455.20270	0.9
471.35147	100.0
472.01233	0.5
472.35562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65451	0.4
52.07057	0.5
53.01609	0.5
53.34411	0.4
57.09480	0.5
71.05031	0.6
71.91220	0.5
97.06602	5.1
103.66431	0.6
103.67133	0.6
107.84657	0.6
126.77748	0.6
127.78425	0.5
184.07370	0.5
288.60477	0.5
389.28738	0.7
391.29895	6.4
400.71243	0.7
405.31866	5.6
407.33337	10.5
423.29156	1.0
441.33960	1.2
451.32211	10.4
453.33810	44.3
471.34836	100.0
472.35141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03005	0.2
79.54429	0.3
92.10844	0.5
156.35571	0.3
191.58177	0.3
196.67749	0.2
233.13606	0.3
261.78537	0.3
288.71420	0.3
350.56216	0.3
391.30319	0.3
393.31519	0.5
405.31805	0.3
471.34872	100.0
472.35144	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	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56636	0.2
97.06560	0.2
98.24458	0.2
292.15015	0.2
407.32980	0.8
471.34891	100.0
472.35287	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	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05911	0.7
56.53117	0.7
57.71515	0.7
58.51850	0.7
74.23729	0.8
97.02971	1.3
112.68501	0.8
119.16908	1.0
187.63924	0.8
280.02258	0.9
289.21756	3.3
314.44815	0.9
344.21680	0.9
409.31577	1.0
411.33035	9.5
441.33798	40.0
441.39746	1.5
471.35010	100.0
472.35233	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	471.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82744	0.6
58.11916	0.6
60.99319	0.9
71.05005	0.6
77.02374	0.6
84.24067	0.7
97.06580	3.0
122.95297	0.6
124.80167	0.6
171.74614	0.6
186.21181	0.6
188.61874	0.7
206.44521	0.6
391.30099	4.4
405.31570	4.4
407.33264	9.0
423.28613	0.8
425.34451	0.9
427.36267	0.8
439.09930	0.8
441.33923	10.9
451.32236	7.4
453.33859	33.3
471.34879	100.0
472.35202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86468	0.7
53.34803	0.7
57.38368	0.6
60.99310	3.8
69.03460	3.4
69.17975	0.7
71.05027	0.9
77.57446	0.7
80.02709	1.3
92.10683	1.0
120.43469	0.8
137.09709	3.1
141.58788	0.7
149.09703	3.2
204.12390	0.8
217.65916	0.7
306.52646	0.9
375.26913	3.5
377.28427	4.0
391.30191	13.0
405.31512	1.4
407.33264	100.0
408.33484	1.7
409.34958	13.7
411.32541	1.6
423.32712	4.7
425.34238	1.3
427.35806	22.0
437.30493	1.1
441.33896	9.3
453.33862	6.6
459.34991	0.9
471.35086	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84484	0.4
83.05045	1.8
90.75628	0.4
93.00983	0.4
99.70959	0.4
103.52105	0.4
108.31409	0.4
121.82966	0.4
223.73006	0.4
310.28217	0.5
319.12927	0.5
377.28577	0.5
391.30151	0.7
397.31000	0.5
399.32889	0.5
407.33386	14.2
409.31073	3.4
411.32974	4.0
423.32809	0.7
425.34415	3.5
427.35812	3.5
453.33893	1.6
471.34879	100.0
472.35266	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42469	0.7
59.01392	0.7
60.99302	3.3
73.49344	0.7
80.02657	0.6
92.10760	0.9
97.06618	1.1
137.09689	1.0
147.51353	0.8
189.12753	0.9
201.12878	6.2
300.35556	0.8
343.13062	0.8
385.87363	0.8
389.28458	1.4
391.29944	4.4
393.27768	1.8
407.33621	20.8
409.31110	77.7
410.31470	1.3
423.29089	4.0
427.31244	1.4
427.36252	2.2
441.34018	10.9
453.34079	0.9
471.30951	100.0
472.31784	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27758	0.3
53.99549	0.3
54.15443	0.3
63.23817	0.3
66.19334	0.3
74.01946	0.3
74.44534	0.3
79.96080	0.3
92.10119	0.3
105.88324	0.4
106.64983	0.4
115.48579	0.4
117.03483	0.4
119.05054	0.6
145.02965	2.6
147.50069	0.4
224.20572	0.4
251.84610	0.4
351.33450	0.5
377.01495	0.3
395.33215	1.8
427.32004	0.5
433.26147	1.4
471.34879	100.0
472.35339	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	471.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.4
60.09098	1.1
65.57262	1.2
67.01933	1.2
73.08875	1.0
83.05032	1.4
118.53966	1.2
119.05015	1.9
135.08228	1.2
137.09717	2.6
145.03003	1.9
146.03314	2.1
151.11308	38.5
177.12859	1.9
189.12894	1.4
191.01830	1.1
194.92836	1.1
247.17000	2.0
259.17020	9.2
263.20209	1.4
273.18597	2.5
275.20187	24.9
277.21753	7.2
287.20197	6.9
289.21738	12.1
299.20087	2.2
304.14267	1.2
317.24677	1.9
393.28027	4.3
395.29633	4.6
397.31186	12.0
399.32791	2.7
407.29141	3.5
409.31189	29.1
411.32886	45.2
427.31647	27.0
427.37103	2.6
433.25351	1.4
441.33673	7.0
471.31039	100.0
471.35358	65.2
472.31177	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	471.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.7
60.76955	0.8
61.98854	1.0
63.73650	0.7
68.72740	0.7
71.05013	1.0
78.04056	0.6
92.10110	1.6
97.06613	3.9
127.91947	0.8
138.22304	0.8
139.73201	0.8
145.02962	3.3
163.23453	0.8
167.85254	0.8
175.11324	5.2
177.12863	6.5
188.71707	0.9
189.12830	1.7
247.17046	1.3
249.18675	1.9
257.37927	1.0
290.07257	0.9
387.27075	5.6
389.28754	5.7
391.30148	1.1
393.28207	1.3
407.29660	3.2
409.31189	100.0
427.32071	9.7
453.30167	1.6
471.31201	58.5
471.35471	23.4
498.05530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94808	0.6
59.01397	0.8
67.01904	1.3
69.03487	0.9
71.05050	0.9
84.38564	0.6
90.65239	0.7
107.17789	0.7
109.06660	0.7
111.50980	0.7
137.09712	3.2
151.11296	31.2
177.12968	0.8
189.12979	0.8
201.12872	1.0
223.05261	0.8
259.17075	6.3
261.18692	0.9
263.20255	0.8
273.18646	1.6
275.20215	16.7
277.21762	6.8
289.21817	4.0
299.20181	3.2
317.24973	3.3
368.95453	0.8
379.30106	0.9
395.29691	3.3
397.31079	9.9
399.32761	3.0
407.29272	1.0
409.31262	16.3
411.33063	9.7
425.30356	0.9
427.32016	22.2
441.33963	1.6
453.30075	1.4
471.30615	100.0
472.31833	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	471.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14390	6.3
59.01389	100.0
71.01400	34.6
85.02961	10.0
89.02011	8.2
89.02443	64.5
92.10074	14.4
93.03455	14.6
99.00881	10.0
101.02480	18.5
119.03440	9.2
135.04526	13.8
149.04614	17.8
161.02409	11.1
191.05618	15.6
293.08859	36.6
319.90811	9.8
329.06543	35.0
348.12961	8.5
471.16180	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82351	0.8
59.01385	11.5
61.98837	7.0
71.01402	4.8
73.02974	1.4
85.02985	1.5
89.02470	4.8
92.10795	1.8
93.03421	3.6
93.92590	0.9
96.95976	1.3
101.02475	4.1
101.80878	0.9
113.02467	1.3
117.03468	18.5
119.05024	100.0
145.02963	57.9
145.04115	2.0
161.02509	1.6
161.04694	1.3
163.04015	59.8
173.04626	1.4
189.08444	1.0
191.05618	3.7
210.01297	0.9
219.09105	0.9
265.54153	0.9
293.08829	5.7
307.08313	17.6
329.06470	4.5
411.21164	1.8
457.32990	1.1
471.12549	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.9
57.03460	2.4
58.00600	1.1
59.01388	69.5
71.01384	55.0
71.01774	1.7
72.99330	2.1
73.02945	21.4
74.39837	1.0
83.01376	1.8
85.02969	12.4
87.00883	4.8
87.04530	1.8
89.02446	100.0
90.65890	1.2
92.10736	2.2
96.96010	18.5
96.96954	1.7
97.02973	2.1
98.95602	6.4
99.00883	37.2
99.01526	1.5
99.04525	1.9
101.02448	40.6
111.00878	1.5
113.02448	11.3
115.03992	2.7
115.92037	1.5
116.92879	1.2
117.01923	1.7
119.03500	1.9
125.02438	8.2
131.03499	11.6
138.01385	1.2
143.03505	1.5
146.93051	1.2
149.04573	43.3
161.04546	9.3
165.89354	1.2
191.05641	18.4
221.06667	6.6
233.06750	1.5
251.07716	7.5
277.29108	1.4
278.08655	1.2
279.10999	1.7
293.08640	4.3
311.09912	6.4
367.12405	9.8
369.14099	6.8
411.15039	14.5
471.17407	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	471.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40552	1.5
53.37487	1.7
57.03456	2.5
59.01383	30.2
61.55256	2.4
67.44682	1.8
71.01402	13.2
73.02957	3.4
75.00906	2.7
80.77298	1.8
83.95152	1.9
85.02959	63.3
85.03463	2.9
89.02471	4.9
93.03504	2.4
96.96037	18.2
98.95601	14.4
101.02433	8.8
108.22576	2.5
113.02476	7.3
117.03447	3.8
119.04997	16.1
132.02196	21.7
133.02937	8.7
134.03751	79.1
135.04517	3.9
137.02480	4.1
145.03035	4.0
147.04553	15.0
148.05313	8.0
149.06024	15.4
160.01677	100.0
163.04019	14.2
173.04613	3.1
173.06070	3.2
174.03265	2.7
175.04027	83.0
176.04811	34.4
177.01949	10.9
178.02718	10.0
179.03552	2.4
191.03537	2.4
191.05605	8.9
191.07172	48.0
192.04277	4.5
193.05058	72.1
207.06601	11.6
217.05138	3.5
220.03830	5.1
234.54059	2.0
235.06142	97.1
265.07175	34.8
295.08279	55.8
355.10568	4.4
361.19962	2.4
470.18951	8.8
471.19778	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66449	1.9
59.01387	23.0
70.50927	2.2
71.01389	21.6
72.32998	2.4
73.02948	3.8
88.75916	2.7
89.02448	36.5
90.75571	2.7
97.02979	3.9
97.06599	77.1
99.78786	2.3
101.02441	3.7
104.37257	2.6
104.95721	2.6
111.04157	3.3
125.02462	15.4
141.05589	31.1
146.65692	2.5
191.05731	3.2
191.98158	3.1
213.50204	2.6
233.06656	19.1
271.68784	3.2
278.81525	2.7
293.08865	65.2
435.15173	100.0
435.21088	4.5
471.12845	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
60.46051	0.3
61.35089	0.3
63.38106	0.3
69.87539	0.3
71.01395	0.8
85.02972	0.4
88.57236	0.3
91.01580	0.4
93.03482	0.7
96.95995	0.4
101.02436	0.3
117.03475	15.7
117.04274	0.7
119.05035	100.0
128.15831	0.4
145.02974	54.4
163.04025	37.6
163.06065	0.5
167.78889	0.4
179.44156	0.3
187.04076	0.4
232.42577	0.5
265.57932	0.4
267.65085	0.3
307.08292	23.0
471.13083	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	471.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08776	1.5
54.83054	1.6
59.01389	22.0
61.98839	11.7
71.01405	8.4
73.02941	1.8
74.03282	1.4
74.58703	1.6
85.02950	2.2
87.25076	1.6
89.02457	3.8
93.03449	3.5
101.02428	6.5
103.53342	1.5
106.67480	1.6
113.02453	2.6
117.03459	15.1
119.05030	100.0
124.94718	1.5
133.02985	3.1
135.04541	3.9
137.02486	2.2
145.02972	56.6
149.04645	1.7
159.37340	1.8
163.04031	61.9
173.04605	2.4
179.03555	2.0
191.05666	6.3
283.09601	1.7
293.08713	2.0
299.50958	1.7
307.08307	20.1
410.21234	3.5
411.21365	3.3
471.13147	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	471.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64381	2.7
58.98836	2.5
59.01386	30.3
61.98845	3.3
64.34496	2.6
64.91317	2.5
71.01375	27.9
73.02940	3.8
83.01395	2.5
85.02966	3.2
89.02442	31.6
96.96036	11.1
97.06577	80.2
99.00941	4.0
101.02454	6.5
108.04554	2.7
115.03988	4.2
116.48448	2.8
116.92871	3.9
125.02444	17.5
131.03496	4.2
141.05602	23.3
149.04628	4.1
156.30949	2.9
159.84854	2.5
191.05562	6.3
233.06712	14.5
234.72858	2.9
285.55048	2.4
293.08780	46.7
329.43597	2.7
435.15128	100.0
471.12793	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3542
Annotation	Glyceryl tri(2-ethylhexanoate)
Peak:m/z	Relative Intensity
54.83266	0.7
55.20584	0.5
59.01384	1.5
76.58394	0.6
78.80198	0.6
97.06618	0.8
103.67049	0.6
125.09775	0.9
127.11306	8.9
155.10796	10.8
171.10268	7.5
173.11841	80.3
180.18668	0.6
267.23407	0.7
277.21823	0.9
295.22833	13.3
311.22400	3.0
313.23914	81.1
423.32202	2.6
425.34369	0.9
455.34583	0.7
469.35513	100.0
470.36200	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	471.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33984	0.8
59.01389	57.4
65.40587	0.9
69.94578	0.9
84.25509	1.0
117.00470	6.8
124.64427	1.0
143.02100	1.4
144.99983	1.2
147.91928	1.0
157.03520	1.5
159.01517	100.0
170.97911	5.6
187.01016	85.3
201.02621	28.3
244.31308	1.2
274.99402	1.6
328.96976	3.7
329.02216	45.6
343.03836	5.2
394.25168	1.2
412.46191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83276	0.3
53.43985	0.3
56.53126	0.3
59.01390	5.4
62.55571	0.3
71.01393	2.3
73.02943	3.0
78.95931	0.4
85.02943	0.5
87.00884	0.8
87.07703	0.3
89.02454	3.0
89.14125	0.3
90.50986	0.4
90.94215	0.3
95.32677	0.3
96.96021	4.3
97.06585	0.4
99.00876	1.7
99.92589	8.5
101.02438	1.6
116.92868	100.0
116.97234	5.0
117.01947	2.1
117.05576	2.4
121.02953	0.5
125.02379	0.8
133.02928	0.7
149.04585	0.6
164.98839	0.3
171.49033	0.4
191.05608	0.9
279.05069	0.5
280.47263	0.4
293.08768	0.5
343.26245	0.4
370.64063	0.4
394.54468	0.5
435.15109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28996	0.3
55.37508	0.3
59.86256	0.3
72.34480	0.3
86.99329	0.3
88.60948	0.3
90.81963	0.3
265.22141	0.4
289.21805	0.8
393.31616	0.5
425.34418	2.2
441.33936	0.7
469.33319	100.0
470.33566	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	469.333
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
54.82483	0.5
57.03472	0.5
59.01383	0.8
61.92137	0.3
71.18462	0.3
92.10135	0.4
97.06614	0.5
113.10951	0.3
139.71156	0.3
145.02934	0.5
177.75887	0.3
291.83557	0.4
407.29794	2.0
409.31464	0.4
423.33035	0.8
425.29669	0.6
425.34918	5.7
431.24777	0.5
433.33630	0.4
439.28137	0.6
451.32489	0.7
457.33292	0.7
469.33395	100.0
470.33679	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	469.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44381	0.3
53.63411	0.3
59.01402	0.3
61.98840	0.3
68.62772	0.3
77.02662	0.3
99.09701	0.4
117.03474	5.4
119.05024	3.5
145.02966	30.3
146.03336	0.4
163.04054	2.1
170.50172	0.5
283.08640	1.4
287.22314	3.0
326.84476	0.4
333.83969	0.4
376.44476	0.4
407.29523	0.5
415.25247	0.5
425.30524	0.8
431.24600	1.6
431.31723	0.7
433.26035	11.0
439.32260	21.7
439.38190	0.8
451.32288	0.9
469.33408	100.0
470.33743	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	469.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28874	0.5
56.79805	0.4
59.01379	0.6
73.28290	0.4
96.86034	0.4
97.06607	1.1
101.20554	0.5
110.76913	0.4
150.36760	0.6
161.64745	0.5
175.96790	0.4
391.30136	5.9
393.31747	7.9
423.33240	0.7
425.34891	0.7
437.30649	11.1
439.32333	2.7
469.33331	100.0
470.33588	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	469.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71188	0.3
57.03467	0.4
59.72186	0.4
73.65918	0.4
92.07681	0.4
96.81042	0.4
97.06593	0.7
104.61358	0.4
111.50976	0.4
114.38940	0.4
114.88275	0.4
117.03458	0.9
119.05028	3.2
119.15530	0.4
145.02979	7.5
163.04079	1.7
172.52043	0.4
220.02907	0.5
235.17119	0.6
235.99435	0.5
285.20688	0.6
286.36819	0.5
293.22897	0.5
342.05704	0.4
371.26053	0.5
387.30667	0.4
401.28354	0.6
403.30234	0.9
405.31818	4.2
407.33521	4.7
423.32742	0.7
425.34506	4.5
431.24414	4.1
433.25262	0.6
451.32300	15.8
469.33371	100.0
470.33878	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	469.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93634	0.3
66.46268	0.3
97.06593	0.6
145.02925	0.4
152.58752	0.3
164.28352	0.3
189.07855	0.3
357.67841	0.4
369.27948	2.5
405.31693	0.6
409.31390	0.4
421.30966	0.6
423.32852	6.1
425.34567	3.9
437.30685	0.4
451.32578	0.6
469.33337	100.0
470.33517	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80330	0.3
51.79382	0.4
82.04418	0.5
110.61322	0.4
146.55270	0.5
169.44603	0.4
284.08154	0.5
289.21817	2.0
297.74826	0.4
301.22879	0.5
334.04303	0.5
393.28076	3.7
407.29620	4.2
409.31351	3.6
423.32779	77.7
424.33234	1.6
425.34332	4.8
469.33328	100.0
470.33649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05519	0.7
70.75982	0.6
77.07369	0.6
83.05042	3.3
92.10669	0.9
97.06577	5.2
99.37864	0.7
104.11852	0.7
105.41478	0.8
148.68372	0.7
152.99576	0.8
153.43788	0.6
156.15707	0.6
164.33199	0.6
171.16757	0.8
177.12863	1.2
405.31866	3.6
423.32629	1.2
425.34665	1.6
451.32220	14.8
469.33356	100.0
470.33661	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	469.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44381	0.3
53.63411	0.3
59.01402	0.3
61.98840	0.3
68.62772	0.3
77.02662	0.3
99.09701	0.4
117.03474	5.4
119.05024	3.5
145.02966	30.3
146.03336	0.4
163.04054	2.1
170.50172	0.5
283.08640	1.4
287.22314	3.0
326.84476	0.4
333.83969	0.4
376.44476	0.4
407.29523	0.5
415.25247	0.5
425.30524	0.8
431.24600	1.6
431.31723	0.7
433.26035	11.0
439.32260	21.7
439.38190	0.8
451.32288	0.9
469.33408	100.0
470.33743	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	469.333
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84017	0.3
67.36118	0.3
70.40990	0.3
71.73513	0.3
89.59928	0.3
92.10117	1.0
93.13410	0.3
117.03436	0.6
117.28944	0.3
119.05041	1.7
127.71696	0.3
145.02971	5.5
146.03423	0.4
155.93950	0.3
160.13113	0.3
163.04027	1.1
285.20679	0.4
299.96423	0.4
316.25546	0.4
344.92520	0.3
369.28143	0.6
388.61029	0.4
425.34497	0.6
431.24390	3.4
469.33322	100.0
470.33722	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	469.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82205	0.2
74.50001	0.3
79.50854	0.3
81.22941	0.3
83.08289	0.3
92.10083	0.3
104.25209	0.3
121.81731	0.3
155.62822	0.3
207.92822	0.4
405.31741	0.5
423.32794	0.6
469.33334	100.0
470.33743	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	469.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48572	0.3
68.00597	0.4
72.53855	0.4
79.12275	0.4
88.37598	0.4
103.50838	0.4
136.18701	0.4
164.88776	0.4
202.12016	0.4
289.21844	0.5
357.28116	0.8
423.33231	0.5
439.32355	0.9
469.33347	100.0
470.33759	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	469.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
57.03455	1.5
59.01387	18.6
61.98843	3.9
68.78059	0.7
71.01385	20.1
72.99315	1.5
73.01376	0.7
73.02956	11.1
73.66038	0.6
74.99120	0.9
75.00896	0.8
78.95955	0.7
79.95727	1.2
82.28094	0.7
83.01398	4.0
84.44878	0.7
85.02962	13.7
85.35139	0.8
87.00903	4.1
89.02447	10.8
90.67682	0.7
91.96381	0.7
95.01418	1.2
96.96016	100.0
99.00888	6.4
101.02447	18.9
110.62082	0.7
111.00889	1.0
113.02480	7.1
115.04010	1.0
116.92867	1.1
120.99734	0.9
121.02959	1.2
125.02511	2.4
149.04544	1.3
161.04546	3.7
175.13400	3.1
191.05682	4.1
195.06728	1.0
199.86458	0.7
206.14766	0.8
337.18707	16.5
345.05917	0.8
371.10028	1.5
407.33792	1.0
409.17062	5.5
431.15640	4.7
463.96149	0.8
469.23120	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16982	1.2
52.61420	1.2
54.25306	1.2
55.01884	11.1
57.03452	3.3
57.70477	1.2
58.00612	1.2
59.01386	88.0
61.98569	1.3
61.98839	13.2
68.99561	3.4
69.03461	2.4
71.01382	97.2
72.85523	1.8
72.99324	2.7
73.02949	23.4
79.91286	1.9
82.95446	1.4
83.01389	18.1
83.27992	1.3
85.02953	47.9
87.00896	8.6
89.02441	28.2
92.10841	2.0
93.03462	3.0
95.01402	6.1
96.96012	8.7
97.02967	1.7
97.25764	1.4
99.00887	11.6
101.02440	69.4
113.02452	41.0
115.92080	1.6
117.03465	2.8
119.03494	9.2
119.05038	2.4
125.02456	2.7
129.01917	1.7
133.03018	1.8
140.53134	1.5
143.03511	2.5
145.02962	8.9
159.03038	2.6
161.04590	27.5
173.04532	1.7
176.01221	5.3
179.05571	1.9
191.03569	6.6
191.05653	9.7
192.06056	2.1
193.06122	1.7
288.77795	1.5
307.17682	42.9
314.67953	1.7
347.90378	1.5
469.16275	8.1
469.22998	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	469.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63751	1.8
53.87042	2.0
54.55762	2.1
55.56237	1.7
56.40369	1.8
59.01387	69.0
61.98858	2.3
64.34151	1.9
67.87955	1.9
71.01388	70.9
73.02948	27.4
75.47165	2.1
77.05319	2.1
80.48340	2.4
83.01424	5.3
85.02959	25.3
89.02448	78.7
91.05896	1.9
92.10712	2.3
93.03481	8.6
95.01426	2.8
96.96014	19.3
97.02959	2.9
99.00887	25.3
101.02440	57.7
113.02440	18.1
116.92882	5.4
119.03490	3.6
125.02486	9.2
131.03514	3.7
137.02463	39.8
143.03484	2.4
149.04599	24.5
161.02516	3.7
161.04579	12.2
179.03648	5.1
191.05649	11.5
221.06679	3.3
233.06709	2.8
239.05750	3.3
277.12872	18.5
293.08896	2.6
409.17197	100.0
433.13593	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	469.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82715	0.7
55.01899	1.1
57.03471	1.4
58.00611	1.4
59.01388	89.1
61.98842	1.4
69.03477	6.0
71.01385	63.2
72.99321	3.9
73.02955	17.1
75.00876	2.0
75.93707	0.8
81.03474	4.4
83.01413	4.3
85.02936	10.9
87.00889	1.9
88.98808	0.9
89.02446	100.0
90.08049	0.8
93.03459	6.9
95.01449	1.2
96.96028	3.6
97.02941	9.5
98.95601	1.0
99.00874	20.4
101.02453	21.9
109.03001	1.1
113.02451	8.3
115.04032	5.6
115.07658	53.1
119.03503	4.5
125.02445	38.1
127.04039	1.3
129.09253	3.8
131.03493	9.9
134.03740	10.7
134.65965	1.0
135.04449	1.0
137.02473	10.2
143.03490	4.0
145.02982	1.8
149.04582	27.0
149.05861	1.2
157.08734	2.2
160.01659	4.1
161.02463	1.5
161.04575	2.1
163.04037	1.3
166.05099	1.4
173.04587	1.5
175.03947	3.4
179.03448	1.1
187.09752	1.1
188.53891	0.9
191.05673	12.6
192.06044	1.7
193.04948	1.5
216.08621	0.9
233.06702	16.2
242.77309	1.0
275.07886	1.4
293.08853	94.8
469.13892	5.6
471.71414	0.9
472.55005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1907
Annotation	Coroglaucigenin 3-O-sulfate
Peak:m/z	Relative Intensity
55.59311	0.4
57.03454	0.9
59.01384	5.4
64.34739	0.4
70.06892	0.4
71.01396	2.8
75.00869	28.8
79.95722	3.4
80.96529	0.8
85.02966	0.6
87.70673	0.5
89.02443	1.7
92.10034	0.4
93.03452	0.9
96.96011	64.6
101.02467	0.7
113.02493	0.6
119.05024	9.2
125.02577	0.5
139.07362	0.5
143.03488	4.4
145.02975	2.2
160.01668	0.6
161.04575	2.2
163.04021	6.3
175.03925	0.9
185.11823	0.6
190.97990	0.5
191.05627	2.3
323.09799	2.0
335.17102	0.7
393.18173	0.6
441.19324	0.6
469.19098	100.0
470.18982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64884	0.4
54.82461	0.4
59.01388	4.2
60.99005	1.0
60.99312	19.3
61.77878	0.4
63.46068	0.4
64.34270	0.4
68.46774	0.4
68.99591	0.6
71.01383	2.2
76.57291	0.6
77.80708	0.4
85.02943	0.7
87.00900	1.8
88.98804	100.0
89.02447	5.1
93.03472	0.6
96.96004	12.4
97.95773	0.5
101.02435	1.7
103.94607	0.5
108.02134	0.5
115.04105	0.5
116.92887	0.5
117.82491	0.4
121.02946	0.7
131.04999	0.6
135.04533	0.7
138.01971	5.1
139.02316	2.1
142.43187	0.4
191.05594	2.1
271.10773	0.7
289.12088	1.7
349.09610	0.8
367.29239	0.5
469.13556	5.0
475.51215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82483	0.9
55.01900	1.1
59.01384	56.4
62.13220	0.7
63.27317	0.7
71.01381	13.4
72.99313	1.0
73.02967	1.3
83.01399	0.9
85.02963	4.2
89.02437	14.8
92.10107	2.0
93.03455	3.7
95.01385	1.0
96.96020	4.3
101.02446	10.5
113.02434	5.2
117.03475	19.5
119.03495	4.7
119.05029	30.7
133.02943	4.2
133.06575	7.1
134.03688	5.1
134.34961	0.7
134.84842	0.8
135.04533	11.3
137.02431	2.0
140.31609	1.0
143.07167	1.7
145.02968	100.0
161.02437	1.8
161.04594	3.1
161.06065	17.1
163.04022	27.8
175.03978	0.8
177.02177	0.9
177.05594	8.1
178.02736	1.4
179.03482	5.9
191.05589	3.6
197.14844	0.9
204.11661	0.8
205.05109	16.0
224.66798	0.9
235.06142	4.1
265.07224	11.0
277.16467	1.0
289.07172	4.6
323.13547	48.9
405.29449	0.9
409.14948	4.0
409.20792	7.3
469.12128	2.2
469.17209	51.9
470.17807	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	469.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.62916	0.5
59.01384	8.5
59.59529	0.5
61.98837	15.8
71.01384	6.2
73.02969	3.6
83.01416	1.2
85.02950	2.2
87.00896	0.8
88.98815	2.5
89.02442	4.1
96.67265	0.6
96.96017	9.3
99.00874	1.3
101.02440	4.4
113.02483	0.8
120.99680	4.1
123.04501	0.6
125.52394	0.6
132.28860	0.5
135.04527	0.7
136.01682	1.3
137.02443	16.5
151.03992	1.0
158.60818	0.6
161.04594	1.1
164.01218	0.9
165.01938	100.0
165.77461	0.6
166.02702	0.8
167.03481	0.9
179.03511	18.2
179.05081	0.6
180.04292	64.5
181.05026	0.9
191.05569	1.0
194.05925	4.3
195.03113	2.1
195.06644	89.8
210.05406	6.4
225.07716	22.5
243.08719	2.5
331.08337	1.4
346.10666	1.0
353.71048	0.7
361.12964	4.8
371.43405	0.6
409.17206	6.2
421.15164	12.8
423.18735	0.8
469.13083	1.9
469.18558	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	469.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.1
58.75947	0.1
59.01399	1.5
59.78349	0.2
59.95453	0.1
64.35519	0.2
65.99923	0.1
71.01394	0.9
73.02976	0.3
74.87791	0.1
75.00896	0.3
78.95918	0.2
79.95760	1.7
82.95429	0.6
83.01406	0.2
85.02969	1.0
86.67857	0.2
87.00845	0.1
89.02457	0.3
92.10764	0.3
93.03439	0.6
95.01392	0.2
96.96014	100.0
97.93158	0.2
99.00865	0.2
101.02440	0.7
105.33472	0.1
113.02441	0.9
114.93407	1.0
121.02972	1.5
133.02928	0.4
137.02425	0.7
140.47244	0.2
153.05536	0.2
161.02484	1.6
175.23253	0.2
191.05583	0.8
199.90408	0.2
249.06129	0.7
302.73068	0.2
307.10452	1.4
371.09726	1.6
469.13910	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	469.1184
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
51.55779	0.5
53.70848	0.6
54.82948	0.6
59.01390	6.8
61.98840	1.4
64.67572	0.6
71.01390	1.2
71.51245	0.6
75.94710	0.6
79.95742	50.4
83.05029	0.6
85.02950	2.4
89.02454	1.3
93.03473	3.6
94.03799	0.6
95.95238	15.4
96.96014	100.0
97.40410	0.6
99.00860	0.9
101.02457	0.9
110.97604	6.0
125.85709	0.7
134.03749	0.9
135.04533	1.6
137.02428	1.0
141.95726	1.0
145.02974	0.7
152.01117	0.7
161.02498	0.7
167.03604	1.0
173.04579	1.0
174.04893	0.6
191.05618	3.4
207.06717	0.8
289.03827	1.0
313.28848	0.7
409.20459	0.8
454.09595	1.4
469.11804	64.9
470.12106	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	468.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79569	5.5
59.01408	23.6
61.98845	46.2
63.15336	5.1
69.84705	5.5
71.01405	11.5
81.54755	5.2
88.98829	6.1
89.02461	12.3
92.10753	11.1
93.03485	9.4
96.96026	41.4
98.95624	6.9
101.02450	8.1
138.02029	21.0
138.05637	100.0
145.03018	6.7
191.05632	14.0
197.04533	5.8
238.00128	6.1
249.11359	7.7
250.11679	6.8
264.78662	6.1
430.14075	9.2
432.15295	77.8
452.73254	7.0
468.16934	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3171
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
56.98796	0.7
59.01381	0.7
61.98838	0.9
83.78976	0.5
152.60301	0.6
162.39722	0.6
170.40038	0.7
276.51410	0.6
287.20123	2.1
391.26566	8.9
395.44943	0.6
405.28033	4.8
407.29565	4.8
421.31195	93.4
422.31537	2.6
423.32745	3.6
467.31757	100.0
468.32211	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	467.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34560	0.8
70.00281	0.8
71.55859	0.9
75.48177	0.8
80.27693	0.8
85.06584	1.6
86.13757	0.9
97.06599	4.6
108.57478	0.9
115.48816	0.9
117.12091	1.1
150.50320	0.9
171.10234	2.3
173.11768	1.8
217.74689	0.9
309.22238	1.3
332.23157	1.0
403.30188	7.5
421.31250	7.5
423.32571	1.4
449.30707	1.4
467.31729	100.0
468.32104	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	467.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70633	1.0
82.37094	1.2
134.68806	1.2
171.10280	100.0
181.77031	1.1
194.32611	1.2
295.22845	2.7
313.23950	32.2
405.71841	1.3
467.33826	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	467.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80901	1.2
54.83247	1.2
55.01894	5.1
57.03468	6.3
59.01385	60.0
59.01684	2.3
60.99322	3.2
67.01904	17.4
69.03468	6.3
71.01389	48.3
71.11002	1.2
72.99300	2.9
73.02957	19.1
76.85084	1.1
81.03474	2.4
83.01419	8.7
83.05050	3.0
85.02959	29.5
87.00890	30.7
89.02445	16.9
92.10842	3.0
92.21884	1.5
93.03461	100.0
95.01398	2.8
97.02932	2.4
99.00903	11.1
101.02450	46.8
109.02975	9.8
111.04510	15.4
113.02452	22.9
115.03976	1.4
125.02360	2.4
129.01962	2.5
131.03456	1.6
133.03008	3.0
134.03748	37.0
135.04567	13.5
136.01674	5.9
137.02451	9.0
143.03546	2.4
145.02982	1.7
151.04004	6.1
155.03523	5.5
159.02980	2.0
161.04588	16.2
165.27570	1.3
169.10516	2.5
173.04561	59.9
177.01897	2.2
178.02747	3.3
179.03531	2.3
184.45747	1.4
191.03937	2.4
191.05632	61.9
197.11841	1.9
213.09502	5.4
225.63594	1.4
231.10358	6.4
257.08157	2.3
265.54492	1.3
275.09409	2.7
275.15005	18.7
293.10342	16.8
301.18427	2.2
309.20639	1.6
319.19556	11.0
319.27658	1.5
327.21768	6.3
361.20566	14.0
379.21701	13.0
405.94598	1.5
407.19266	91.9
441.51517	1.7
449.14636	15.0
467.15613	51.8
467.23148	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34527	0.5
55.01892	1.2
57.03456	4.0
59.01388	24.4
60.99316	1.2
61.98822	1.4
67.01900	3.4
69.03453	0.9
71.01381	15.0
71.05027	3.7
72.00394	1.0
72.49677	0.6
72.86747	0.6
72.99326	0.7
73.01202	0.9
73.02953	8.5
73.98294	0.7
74.42820	0.6
74.99106	0.9
76.98692	0.9
81.03477	1.5
83.01407	2.4
83.05020	1.3
83.61897	0.5
85.02955	12.0
87.00874	12.4
87.60741	0.6
89.02438	4.7
92.66460	0.6
93.03455	28.5
95.01395	1.0
96.96013	1.1
97.06569	1.3
99.00890	1.5
99.04536	0.9
99.08173	1.1
100.66134	0.6
101.02440	19.0
108.02158	0.8
109.02966	6.1
111.04512	5.3
111.08188	0.7
113.02460	5.7
113.09749	0.7
115.04013	0.9
117.03378	0.7
127.04015	0.7
129.01958	0.7
129.09209	2.7
133.02962	1.4
134.03746	14.7
135.04524	4.2
136.01665	5.8
137.02440	10.0
139.47948	0.6
143.03505	1.3
143.08926	0.7
143.10770	1.3
145.02957	3.0
151.04019	2.7
153.01933	0.6
155.03535	2.5
158.05827	0.7
161.04544	4.6
169.10568	9.6
171.10208	0.9
173.04564	19.6
173.06024	1.4
177.01964	0.9
178.02747	2.4
179.03482	1.3
179.10765	4.4
187.07753	0.7
187.11615	3.3
191.05634	48.3
197.11871	7.0
203.10918	0.8
213.09561	8.4
220.85706	0.7
231.10544	8.8
257.08228	3.1
265.21667	0.7
275.09311	2.7
275.14972	7.7
293.10397	11.0
299.20630	1.0
301.18454	1.1
309.20975	4.6
319.19351	2.7
327.21793	15.5
343.19611	6.4
345.22849	6.2
361.20590	30.7
379.21658	18.9
407.19232	30.6
407.27478	0.8
449.14404	5.5
467.15878	15.8
467.23196	100.0
468.23245	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	467.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01756	0.3
54.86174	0.3
55.01897	0.3
57.60179	0.3
59.01385	42.1
67.01894	1.8
69.03463	0.6
71.01381	5.0
72.00389	2.6
73.01179	1.6
73.02951	1.9
73.22058	0.3
73.98330	0.3
81.03432	0.3
84.28352	0.3
85.02940	1.8
86.51889	0.3
86.69443	0.3
87.00876	6.0
88.31886	0.4
89.02446	6.8
92.34546	0.4
93.03461	11.7
96.96001	0.3
97.35753	0.3
99.00880	2.1
101.02441	2.4
102.98525	0.4
105.03489	0.5
109.02934	0.5
111.04506	2.6
113.02438	1.2
117.93516	0.3
119.03507	0.6
120.99637	0.5
126.30642	0.3
131.03514	0.3
133.03001	3.2
134.03763	6.5
135.04494	1.9
136.01645	0.4
137.02419	2.0
137.09706	0.4
143.10780	0.3
149.04523	1.8
155.03496	0.4
161.02464	0.3
169.10574	16.2
171.08508	35.6
173.04561	8.8
175.55075	0.3
177.01953	0.7
178.02690	2.3
179.03474	1.6
191.05583	5.8
191.11090	0.6
231.10406	0.6
249.18712	0.4
257.08331	0.5
275.09335	1.3
281.19482	0.7
283.17426	1.5
293.10303	1.3
299.20569	1.9
301.15344	0.6
301.18463	11.2
317.21689	0.8
319.19547	18.3
343.19507	0.7
345.22867	0.6
361.20578	10.7
379.21686	15.4
407.19220	6.4
449.14658	1.2
449.22574	0.4
467.16235	5.7
467.23248	100.0
468.23541	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	467.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05747	0.2
59.01392	0.4
59.13153	0.2
67.98856	0.2
71.01358	0.3
76.57425	0.2
78.95907	6.5
79.95744	2.0
89.02457	0.3
92.10143	0.3
96.96017	100.0
96.96922	11.0
101.02427	0.3
164.36096	0.2
191.05643	0.3
303.07150	0.3
467.17822	0.4
488.46625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	19.2
59.64331	1.9
61.98835	16.6
65.70404	2.3
69.03468	2.8
76.57220	2.3
88.43423	1.9
89.54076	2.2
92.65404	2.7
93.03499	2.7
98.68462	2.3
109.61031	2.6
119.08712	3.9
128.26932	2.9
137.09732	13.4
138.18842	2.6
171.10118	3.0
227.06042	16.3
237.04424	2.5
239.06012	3.6
241.07524	13.9
265.07736	4.0
269.07074	34.0
283.08643	21.9
327.12759	5.6
329.14209	3.9
345.13712	3.2
347.15436	4.0
389.16541	100.0
407.17761	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13571	1.9
54.82333	2.3
57.03455	10.1
59.01394	23.0
61.15566	1.9
61.98862	2.4
63.76509	1.9
83.05038	2.8
100.97750	2.4
119.08688	4.2
137.09727	55.6
163.88966	2.6
206.02122	2.3
221.61151	2.7
223.03018	3.2
225.04515	3.3
227.05940	20.9
239.05878	3.0
241.07680	10.5
244.39404	3.1
269.07108	100.0
283.08801	9.4
313.14716	2.4
327.12933	2.9
347.15469	3.6
389.16531	35.4
407.17657	23.0
443.90631	2.4
452.54904	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	467.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54773	2.1
59.01389	19.4
69.03467	5.5
95.30618	3.0
97.02952	77.1
97.06560	3.7
128.63632	3.0
133.77808	3.0
140.00211	2.5
174.99196	6.4
189.97974	4.3
225.97992	3.7
227.99449	6.1
265.07556	11.3
267.09219	11.8
269.07016	15.1
277.25287	2.8
283.08740	5.4
309.06964	4.4
309.10184	28.3
315.95523	2.8
363.14905	4.3
366.42792	2.9
389.16571	11.9
407.17743	100.0
423.32712	3.4
489.24973	2.9
490.26956	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	467.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50803	0.8
54.83050	0.8
55.01895	4.0
57.03466	5.3
59.01386	42.3
61.98839	1.2
63.23383	0.7
67.01903	3.5
69.03468	1.9
69.96862	0.9
71.01385	43.8
71.01780	1.8
71.05020	1.1
72.99303	1.6
73.02946	22.4
75.00900	1.7
81.03485	1.6
83.01376	7.4
83.05032	1.1
85.02955	32.4
85.06652	1.0
86.00146	0.8
86.98329	0.9
87.00868	11.9
89.02440	13.0
93.03460	25.1
95.01392	3.8
96.96040	4.4
97.02960	1.7
99.00891	9.5
101.02448	42.1
107.13184	0.8
109.02962	4.3
111.00882	1.3
111.04544	4.8
113.02462	17.7
115.04025	8.5
119.03473	0.9
120.99677	3.7
125.02517	3.0
127.04004	3.4
129.01976	1.3
131.03584	1.7
134.03729	15.6
135.04524	6.1
136.01666	7.0
137.02431	8.0
143.03462	1.3
145.03024	1.1
149.04617	1.1
151.04082	1.5
159.02965	3.4
161.02478	1.4
161.04562	15.8
171.74939	1.1
173.04562	23.3
173.06020	1.4
177.01912	1.4
178.02751	3.6
179.03526	2.0
179.10817	1.1
187.07474	1.3
191.05637	67.2
197.11806	1.1
203.10814	1.2
213.09378	1.2
231.10477	5.8
233.06740	1.5
257.08258	4.6
275.09290	1.9
275.15070	34.6
293.10474	10.0
309.20847	1.9
327.21872	5.8
343.19730	1.4
345.22980	2.0
361.20505	13.3
379.21616	6.7
407.19287	100.0
408.19534	3.1
449.14520	4.0
467.15839	18.7
467.23236	33.5
467.29965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98833	2.4
76.57771	1.5
78.64960	1.2
87.40694	1.2
92.10078	2.4
97.50983	1.2
97.89073	1.4
105.20245	1.2
157.84027	1.7
200.24193	1.5
295.44064	1.8
302.36627	1.5
342.05380	1.4
420.57980	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	466.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.5
61.98847	1.5
63.50938	0.1
71.01407	0.8
85.02969	0.3
89.02464	0.6
92.10160	0.4
93.03464	0.3
96.96059	0.3
100.77661	0.2
101.02470	0.3
113.02519	0.2
116.05087	3.6
117.03490	0.2
117.05567	0.2
139.37254	0.2
145.02983	0.9
146.03323	0.8
159.03288	1.0
160.04068	100.0
161.04430	0.7
165.01932	0.3
174.05554	0.3
191.05623	1.1
195.06790	0.3
202.05199	0.3
204.03078	3.1
238.58841	0.2
244.78821	0.2
283.80823	0.2
322.09412	0.2
348.07388	0.2
366.08215	1.1
405.20895	0.2
408.09485	0.8
430.14383	1.0
448.12772	0.3
466.13663	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	466.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72734	1.3
59.01385	51.5
59.54987	0.9
61.98816	1.3
71.01408	1.2
72.00388	1.8
75.09840	1.3
78.38319	1.1
84.18640	1.2
85.02968	1.3
93.03476	2.6
96.96013	2.0
98.22135	1.2
99.72282	1.1
143.10924	1.2
160.04083	2.5
169.10591	18.9
171.08524	49.2
173.04501	2.2
187.07814	1.2
191.05655	14.1
272.36609	1.1
281.19446	1.2
283.17224	1.9
299.20642	1.3
301.18481	15.3
319.19547	20.3
343.19525	1.5
361.20648	14.4
379.21719	41.8
385.02518	1.2
449.04453	1.2
466.14926	2.6
466.24887	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	467.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.7
64.03634	0.2
64.34548	0.2
67.01900	1.8
69.03480	0.2
69.27313	0.2
71.01395	1.7
71.10521	0.2
73.02972	0.3
77.26078	0.2
79.95744	7.7
81.03443	0.3
85.02966	1.1
87.00862	2.6
89.02420	0.3
93.02869	0.3
93.03461	11.2
96.96013	100.0
101.02432	0.6
109.02944	0.4
110.97565	0.5
111.04529	1.5
122.69015	0.3
133.02934	2.1
134.03754	7.6
135.04521	3.6
137.02461	3.0
151.04028	0.4
152.01131	0.3
155.03464	0.4
161.02461	0.6
167.03497	0.7
173.04575	8.5
177.01921	1.4
178.02707	3.0
179.03514	1.4
181.04965	0.4
191.05627	7.9
268.07401	0.4
275.09338	1.1
293.10272	1.7
312.06421	1.6
327.09015	2.3
339.91476	0.3
342.11130	2.2
449.14560	1.6
467.10202	29.6
467.15781	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	465.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.1
58.00613	0.3
59.01390	100.0
61.98844	0.6
62.89291	0.2
68.63573	0.2
71.01387	6.5
71.01779	0.3
71.22617	0.2
73.02937	0.4
78.95910	0.5
79.95753	0.3
85.02977	2.1
89.02449	10.4
92.10174	0.4
96.96016	17.7
96.96968	0.6
98.34068	0.2
101.02458	4.2
105.04214	0.3
113.02455	3.0
119.03493	4.0
122.06094	1.8
129.53479	0.3
131.03549	0.5
143.03487	0.5
145.05302	0.3
149.04556	0.3
161.04556	1.2
163.06425	1.1
164.07167	0.4
179.05661	3.7
191.05693	2.6
195.05318	1.4
267.11447	0.5
285.12476	9.0
319.64603	0.3
405.21512	3.9
465.14609	0.3
465.23672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02083	2.2
59.01401	13.9
60.90644	2.1
61.98854	5.4
62.70609	2.4
66.69374	2.6
77.28434	2.4
78.74193	3.2
93.03472	3.0
116.07864	2.2
117.03492	13.4
119.05024	55.2
121.02963	54.2
131.51291	2.4
145.02974	100.0
163.04036	35.1
214.10040	2.7
221.19112	20.8
225.87497	2.7
265.18112	13.5
283.19135	12.9
301.20203	42.3
309.71262	2.8
345.13858	32.8
376.11841	2.7
411.22931	2.8
447.23868	63.6
465.25241	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	465.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.7
60.53622	1.0
61.98846	1.6
71.01397	7.7
73.02952	2.0
73.98315	1.2
74.99100	2.1
82.07455	1.0
85.02964	5.5
86.99114	4.9
87.00884	2.1
89.02467	5.0
92.10735	1.8
93.03429	2.0
101.02456	6.3
113.02466	2.4
120.99704	1.8
133.02893	1.3
140.33870	1.2
143.07143	2.7
155.10773	2.3
172.05666	6.7
173.04555	1.2
189.07698	1.9
191.05676	10.7
217.10910	1.3
218.09851	37.8
219.10596	5.9
249.70062	1.2
314.03583	1.3
315.20001	8.5
317.17975	82.1
333.19107	1.9
345.22400	1.4
377.20120	19.6
419.48810	1.7
465.21732	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	465.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	4.5
59.01389	100.0
64.85715	0.5
65.47679	0.5
66.07540	0.5
67.98840	0.5
71.01385	17.8
72.99300	0.7
73.02962	1.2
83.01430	0.9
84.02142	0.6
84.43783	0.5
84.44459	0.5
85.02963	3.8
87.00897	0.6
87.61951	0.5
89.02451	18.2
95.01414	1.1
96.96011	0.6
98.57024	0.6
101.02458	8.0
112.05312	1.1
113.02464	8.0
116.92881	3.5
119.03525	9.4
122.06126	5.9
123.03406	0.7
125.02434	0.7
134.07416	2.4
135.06845	0.6
137.09727	1.1
143.03503	0.8
149.04633	0.9
149.09750	18.2
153.09236	6.6
161.04630	4.0
163.06407	4.1
166.06462	0.6
167.10782	22.3
177.04396	1.0
179.05618	6.8
182.39212	0.5
187.28148	0.5
191.05698	1.0
192.75113	0.6
195.05440	2.7
225.14978	3.5
243.16028	3.8
259.44846	0.6
267.11444	3.0
285.03918	0.6
285.12494	25.2
388.64508	0.6
405.21408	20.1
465.23907	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	465.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.7
57.03473	1.3
59.01392	100.0
66.32393	0.6
71.01382	11.6
71.01714	0.6
71.05561	0.5
72.99316	0.8
73.02966	2.4
78.95915	0.9
85.02979	3.7
87.00903	0.9
87.80904	0.7
89.02457	18.9
92.10003	0.6
93.03510	0.6
95.01440	0.9
96.96021	25.7
96.96949	0.7
99.00919	1.3
101.02444	8.8
103.85104	0.5
113.02454	5.4
116.92883	2.5
119.03519	8.2
131.03540	0.9
135.04558	2.4
137.06104	0.6
143.03496	0.8
149.04561	1.1
158.93938	1.1
161.04593	2.0
179.03551	0.6
179.05687	5.5
191.05685	2.8
243.15979	0.7
313.58298	0.5
375.06903	0.7
375.16663	1.0
400.72153	0.5
405.16531	0.7
405.21509	16.1
465.16455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
57.03457	1.5
58.00612	0.8
59.01387	40.6
61.10136	0.6
61.98843	1.5
71.01385	14.2
72.99349	1.2
73.02959	2.6
81.03432	0.7
83.01426	0.8
85.02959	5.5
87.00890	0.9
89.02443	17.0
93.03466	1.0
95.05072	1.0
96.96027	2.7
99.00916	2.6
99.04505	0.8
101.02446	8.5
107.69263	0.6
113.02415	4.8
114.37312	0.7
116.92863	11.6
119.03508	4.2
121.05353	1.0
122.06123	26.9
125.02475	1.4
134.03807	0.9
135.06891	1.1
137.04880	0.8
149.04794	4.5
149.09749	3.9
160.04045	2.5
161.04568	1.5
162.05591	4.0
163.06413	13.2
163.51253	0.8
164.07202	2.9
165.21236	0.7
166.05101	4.4
167.05983	0.9
167.10838	4.5
173.04636	1.1
175.03926	0.9
177.04379	3.9
179.05658	1.2
189.05617	0.7
189.07449	0.7
191.05643	5.2
194.04588	2.7
195.05379	19.1
229.08955	0.7
267.11423	5.7
285.12491	100.0
286.12729	1.4
405.14575	2.2
405.21512	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	465.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95356	0.3
55.25029	0.3
59.01386	16.3
61.98838	0.5
62.46788	0.3
71.01382	7.6
72.99280	0.5
84.95104	2.8
85.02992	1.5
89.02444	7.6
95.01421	0.5
95.05036	2.1
96.96025	1.5
101.02456	2.3
107.03780	0.5
110.07140	0.4
113.02464	1.9
119.03506	2.2
120.04547	0.9
120.84374	0.4
121.05345	5.6
122.06120	18.1
133.02937	0.5
136.07674	0.9
144.04572	2.0
145.05353	10.9
146.06136	7.9
147.03168	0.4
148.04060	0.6
149.04877	0.9
159.03204	0.7
161.02486	0.8
162.05630	0.7
163.06392	10.0
164.07188	17.3
164.08562	0.8
166.05075	3.3
176.03580	0.5
177.04337	4.7
181.03856	0.4
191.05682	1.6
194.04584	8.9
195.05382	10.0
195.07005	0.6
196.06123	1.3
208.06154	0.4
209.03331	2.3
224.10762	0.4
224.60797	0.4
230.38721	0.5
242.11884	0.4
267.11407	11.1
285.12485	100.0
286.12808	0.9
405.21436	1.7
465.19235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39793	0.5
56.47647	0.5
59.01386	72.8
59.22297	0.6
72.99323	2.7
73.02908	0.6
78.95925	1.5
89.02449	4.3
92.10818	1.3
96.96008	10.1
96.96966	3.3
101.02463	1.1
111.02009	0.9
113.02442	0.8
115.00353	0.8
127.19268	0.6
133.01501	0.8
137.02457	3.6
149.04608	2.5
165.01936	46.5
180.04298	46.1
182.67473	0.7
195.06645	100.0
243.08780	18.2
429.16187	5.1
465.13614	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	465.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
57.03457	1.5
58.00612	0.8
59.01387	40.6
61.10136	0.6
61.98843	1.5
71.01385	14.2
72.99349	1.2
73.02959	2.6
81.03432	0.7
83.01426	0.8
85.02959	5.5
87.00890	0.9
89.02443	17.0
93.03466	1.0
95.05072	1.0
96.96027	2.7
99.00916	2.6
99.04505	0.8
101.02446	8.5
107.69263	0.6
113.02415	4.8
114.37312	0.7
116.92863	11.6
119.03508	4.2
121.05353	1.0
122.06123	26.9
125.02475	1.4
134.03807	0.9
135.06891	1.1
137.04880	0.8
149.04794	4.5
149.09749	3.9
160.04045	2.5
161.04568	1.5
162.05591	4.0
163.06413	13.2
163.51253	0.8
164.07202	2.9
165.21236	0.7
166.05101	4.4
167.05983	0.9
167.10838	4.5
173.04636	1.1
175.03926	0.9
177.04379	3.9
179.05658	1.2
189.05617	0.7
189.07449	0.7
191.05643	5.2
194.04588	2.7
195.05379	19.1
229.08955	0.7
267.11423	5.7
285.12491	100.0
286.12729	1.4
405.14575	2.2
405.21512	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	465.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.6
66.97047	0.2
71.01389	0.4
78.95907	2.7
79.95750	1.4
89.02446	0.4
91.75756	0.2
93.03487	0.2
96.96015	100.0
96.96903	5.4
111.00783	0.2
114.38392	0.2
117.41388	0.2
125.02466	0.9
135.04536	4.9
143.10829	0.3
189.06653	0.2
191.05583	0.4
191.70653	0.2
194.26962	0.2
202.78488	0.2
243.47675	0.2
290.83896	0.2
293.08813	1.3
303.05154	0.2
360.85895	0.2
404.05423	0.2
425.28738	0.2
465.11905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.2
59.01654	1.5
59.29355	1.1
61.98835	1.4
71.01385	10.3
73.02973	1.6
82.95419	1.7
85.02986	5.7
89.02448	12.2
93.03478	6.8
96.96013	5.0
98.70692	1.2
101.02479	2.8
113.02462	5.1
116.92918	1.5
119.03531	2.3
125.02427	1.4
126.37792	1.1
127.04007	1.6
133.02950	5.2
135.04532	100.0
152.07249	2.5
153.07578	1.2
179.03500	4.8
179.05548	1.4
191.05638	17.8
201.01755	1.6
233.06665	2.1
247.01434	1.2
248.98601	1.7
262.67722	1.4
270.93970	1.1
293.08908	17.8
303.74445	1.2
329.06592	1.5
375.07047	7.1
405.21564	6.4
410.48529	1.5
465.11609	11.7
475.80118	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	465.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17017	0.8
54.82425	0.9
55.01879	1.1
57.03455	9.2
58.00610	1.7
59.01385	100.0
59.93332	0.9
61.98819	1.2
65.99715	0.8
67.04472	0.8
70.83202	0.9
71.01379	43.1
71.53307	0.8
72.99324	2.2
73.02964	6.5
79.95753	2.0
83.01401	2.1
84.95126	1.2
85.02953	12.0
87.00880	3.8
89.02443	46.1
93.03471	5.5
95.01395	4.0
95.95238	1.5
96.96008	60.3
99.00906	1.6
101.02444	25.3
104.63522	1.2
112.98576	1.6
113.02450	17.3
117.03456	17.4
119.03509	13.4
119.05003	14.2
123.08176	1.5
125.02435	1.3
127.04008	1.2
135.04504	10.0
137.02464	1.6
145.02966	97.1
145.04994	3.2
149.04568	2.4
160.04050	25.0
161.02469	2.5
161.04604	5.6
163.04041	19.9
167.10727	1.5
177.04205	1.4
179.05608	1.9
180.98291	1.0
181.54611	1.3
191.05641	12.5
199.22762	1.1
208.09071	1.4
209.02827	5.5
211.07655	1.3
223.07600	1.3
241.00218	2.3
243.16064	4.5
257.08133	1.4
267.06314	1.4
285.12524	5.5
293.08667	1.5
303.08984	2.3
384.90848	1.5
405.21365	66.7
427.07077	2.4
429.08167	2.0
429.14093	61.1
465.14438	61.9
465.19958	4.8
466.13638	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	464.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82132	0.3
57.03526	0.2
59.01389	1.4
61.22752	0.2
61.98840	100.0
81.48401	0.2
82.06142	0.3
92.64492	0.2
109.02974	1.2
129.64452	0.3
173.02452	0.3
175.03961	0.4
195.07811	0.2
201.60359	0.3
237.05624	0.4
259.07281	0.3
279.40170	0.3
283.06223	2.1
298.08536	2.3
303.39545	0.3
313.10867	3.3
357.09872	0.3
401.08850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59195	0.4
54.79044	0.4
55.84261	0.4
59.01382	3.5
61.98835	100.0
64.34766	0.5
71.01380	2.5
85.02936	0.9
87.00868	0.7
87.37443	0.4
88.67604	0.4
89.02433	1.1
89.50770	0.4
96.96009	0.5
99.93759	0.4
101.02435	0.6
122.79417	0.4
125.69052	0.5
156.68092	0.5
161.02568	0.5
161.04807	3.9
162.05214	3.1
181.89107	0.4
191.05608	2.2
193.03778	2.2
194.04301	0.6
213.14078	0.4
233.14720	0.4
283.10986	3.8
284.11316	6.3
375.69812	0.5
464.68976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24942	0.3
59.01382	2.2
77.45607	0.4
83.98573	0.4
90.85069	0.4
120.05809	3.9
125.06081	5.8
135.08163	23.5
137.06100	4.1
151.07640	0.6
153.09198	1.0
170.05867	3.2
194.95142	0.4
254.95378	0.5
255.23317	1.1
258.33005	0.5
403.35934	2.4
421.36942	35.0
422.37589	0.7
463.38025	100.0
464.38474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	80.2
61.98825	1.6
62.50790	1.4
62.94735	1.2
65.51720	1.3
75.13770	1.5
89.02447	2.1
91.04020	12.2
92.10136	3.5
99.08163	2.3
102.97632	1.4
109.96735	1.4
128.53531	1.5
137.02397	1.8
139.11310	1.8
143.07552	1.5
171.10275	7.5
178.02861	1.7
183.13945	2.3
193.12422	1.5
211.13490	23.4
229.14484	18.8
241.02115	1.5
261.31241	1.4
306.07455	1.6
311.22345	11.7
329.23389	100.0
330.23755	1.8
463.27692	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	463.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	9.6
105.03506	2.3
109.02968	3.5
132.02174	8.7
133.02979	27.5
134.03746	51.2
135.04520	28.4
137.02438	13.0
139.04002	3.2
149.06027	2.2
160.01688	42.1
161.02466	25.7
161.06134	1.9
175.04021	67.7
178.02689	6.5
179.03529	12.8
193.05099	23.2
194.99028	1.8
217.00317	3.9
287.22391	10.9
361.20508	2.8
431.24469	3.8
463.27203	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	463.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.0
60.92774	1.5
61.98830	3.2
62.05014	1.4
63.32706	1.5
71.28585	1.7
71.64989	1.7
87.55050	1.7
95.05047	2.1
117.03477	7.1
121.02882	2.4
132.02180	6.7
133.02951	28.7
134.02734	2.2
134.03754	60.9
135.04509	31.5
137.02435	11.3
138.81004	2.0
139.03964	3.3
149.06064	7.5
160.01677	49.8
161.02460	27.4
161.06110	3.2
175.04021	71.3
178.02771	4.4
179.03535	13.7
193.05080	21.0
194.27161	1.8
287.22366	13.4
299.57471	2.0
431.24481	8.1
463.27097	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	463.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96209	1.4
54.82488	1.6
59.01386	17.3
61.98838	2.6
63.95409	1.4
71.97657	1.8
78.90298	1.6
89.03990	1.5
101.92543	1.6
103.01826	1.7
105.03474	3.6
108.26385	1.7
123.05952	1.7
132.02197	11.7
133.02954	35.2
134.03764	23.4
134.39552	1.3
135.04535	7.6
137.02391	2.3
148.05315	2.2
160.01663	60.5
161.02492	13.4
175.02498	3.8
175.04015	100.0
178.02762	3.1
179.03511	3.1
193.05052	6.9
281.31528	1.5
287.22372	16.5
305.13959	2.4
431.24362	7.3
463.27103	73.0
463.33270	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	463.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07272	0.8
59.01387	5.7
61.98846	0.9
62.58705	0.9
64.34422	1.0
66.62402	1.0
95.05015	1.5
105.03452	4.2
132.02161	11.6
133.02960	30.3
134.03741	21.5
135.04517	8.5
137.02441	6.0
149.06145	1.4
160.01674	73.6
160.03017	2.5
161.02463	15.3
161.06125	2.0
175.04016	100.0
178.02672	1.8
179.03505	1.7
193.04968	9.5
206.00409	1.0
217.00398	2.0
232.25882	1.0
247.40828	0.9
261.11380	2.2
287.22327	20.3
291.12335	2.1
359.21725	1.1
361.20276	4.5
363.25354	2.0
367.02176	1.2
431.24509	10.0
463.27097	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2496
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
50.35343	0.6
58.83896	0.7
62.31516	0.6
66.06641	0.7
66.68292	0.7
67.52258	0.8
70.75492	0.8
76.25269	0.8
79.01866	0.9
90.23331	0.9
91.22727	0.8
119.05100	1.0
123.04545	1.3
137.05431	0.8
145.02989	17.6
149.02454	1.8
150.03224	6.6
177.01909	12.1
178.02753	4.2
189.02002	1.2
189.89279	0.8
191.03444	3.4
211.07767	2.0
213.05501	0.9
223.17387	1.0
225.09210	1.1
227.07159	10.8
228.08008	3.5
241.05109	3.5
242.05887	3.4
244.06908	0.8
253.04924	0.8
255.06667	85.5
256.07458	17.4
260.50369	0.9
267.06705	5.5
269.08191	11.6
348.37817	1.0
377.17496	0.9
393.17120	3.7
394.18341	2.8
419.26471	1.0
463.25000	100.0
464.25281	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	463.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88681	0.5
55.01889	2.1
57.03459	2.6
58.00616	0.6
59.01393	20.5
61.98838	5.1
67.27384	0.4
67.67609	0.5
69.03513	0.5
71.01391	12.7
72.99333	4.9
73.02953	4.5
83.01415	3.3
83.05049	4.3
85.02962	9.3
87.00909	2.3
89.02458	4.3
92.10773	2.0
93.03465	3.2
95.01393	0.9
97.01743	0.5
98.83737	0.6
99.00869	1.0
101.02459	11.5
111.04527	1.3
113.02455	4.3
119.03509	0.8
129.09222	0.6
134.98621	0.6
135.04533	0.9
135.79930	0.5
136.07693	1.0
160.03937	0.6
161.02473	1.1
161.04483	0.7
166.02771	0.5
169.10562	0.6
171.20580	0.5
173.04593	2.2
191.05646	15.4
218.69202	0.6
227.07077	0.7
237.18628	0.8
257.13022	3.1
260.26743	0.7
271.06241	2.1
283.19171	1.3
301.12027	1.1
301.20203	5.0
318.37482	0.6
357.17252	0.9
357.36044	0.5
410.45193	0.6
445.24869	1.8
463.20639	4.0
463.25610	100.0
464.26038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37042	0.6
55.02010	0.6
57.03463	0.8
59.01392	18.5
71.01390	1.9
73.02969	1.8
75.00886	1.1
78.95916	1.0
89.02459	1.2
96.96004	11.2
96.96983	0.9
101.02466	1.2
109.02998	1.2
112.20345	0.9
116.92846	1.0
117.01969	3.8
121.02979	0.9
123.00854	1.5
133.05084	7.0
135.04520	1.2
137.02460	4.9
137.88089	0.9
138.03214	1.7
139.00410	1.2
139.04066	0.9
142.32886	0.7
149.02504	1.1
150.03180	1.2
153.01967	1.3
153.05605	5.0
163.00392	18.7
164.04805	1.0
165.01997	7.1
166.02783	1.0
166.95142	0.8
178.02750	38.3
179.03510	3.5
180.04257	1.5
181.05035	1.1
183.06642	13.2
191.05663	3.9
193.01454	46.7
193.05098	58.0
195.06677	1.2
207.03075	3.1
208.03818	81.7
211.06203	3.2
223.06166	100.0
239.05800	1.7
241.07272	10.3
275.06796	0.8
401.10861	5.9
403.12924	1.3
416.04446	0.8
427.76944	0.9
463.11948	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	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86509	0.3
52.48314	0.3
59.01389	7.4
63.42699	0.3
68.24500	0.4
71.01392	3.4
73.02940	0.7
80.02719	1.3
81.03463	1.5
83.01402	0.6
83.05042	5.8
84.02174	1.6
85.02972	1.6
87.00919	0.5
89.02452	3.3
92.04896	0.4
93.03472	2.2
95.05058	0.9
96.61488	0.4
101.02441	3.3
104.08986	0.4
109.03003	0.6
113.02467	1.7
119.03493	0.5
135.04526	1.8
135.08154	0.6
161.04552	0.7
163.11292	4.4
165.12856	2.5
173.04538	0.5
179.03494	0.6
191.05646	2.8
191.10812	1.0
209.11871	100.0
210.12177	0.6
227.12943	14.1
239.01103	0.4
243.06610	0.4
246.64830	0.4
253.09325	8.9
463.21964	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	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35314	0.3
57.03449	0.4
58.00601	0.4
59.01388	18.4
60.83347	0.3
63.02397	0.7
63.96264	0.4
65.00349	2.3
67.01910	0.4
68.18118	0.3
71.01384	10.7
72.97556	0.6
72.99321	0.6
73.02945	4.7
83.01390	3.1
83.05045	0.7
85.02961	3.3
87.00882	0.6
89.02447	14.7
93.03458	2.6
95.01410	1.3
96.95986	1.3
97.03001	0.5
99.00887	5.8
101.02442	7.3
107.01395	3.8
108.02187	3.1
109.02969	2.9
113.02457	2.3
119.03481	2.7
121.02964	2.8
125.02464	0.9
131.03499	1.2
133.03012	0.5
135.00923	1.6
135.04544	0.8
137.02492	0.4
143.03572	0.4
145.02980	0.5
145.42894	0.5
148.01689	3.4
149.04575	4.8
151.00394	12.7
153.09213	3.0
159.04602	0.6
161.02501	0.7
161.04572	0.8
163.00377	3.9
164.01134	0.6
169.01457	0.7
173.04631	0.6
175.04013	0.6
178.99911	6.4
179.05669	0.5
183.04521	0.7
187.04053	0.4
191.05627	5.1
192.00725	0.7
199.04041	1.5
201.05704	0.5
211.04048	1.6
215.03535	0.9
216.04341	0.6
226.02879	2.4
227.03555	5.0
228.04385	0.4
229.01450	0.4
229.05070	0.8
239.03601	0.5
243.03012	18.7
244.03491	0.6
245.04553	2.1
254.02315	4.0
255.03027	39.8
256.03458	1.5
271.02542	88.1
272.03125	4.4
273.03976	1.4
283.02618	0.9
299.02008	1.7
300.02811	100.0
301.03580	43.5
301.07184	0.7
302.03870	0.8
331.17764	0.7
341.21317	0.8
351.25137	0.4
391.19675	1.4
463.08942	55.9
463.21948	7.6
464.09109	2.0
489.95587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.328
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
51.41914	0.8
59.01377	1.4
59.29443	0.8
61.98856	1.0
76.57372	0.9
100.10858	1.0
120.61344	0.9
159.19493	0.9
159.53252	0.9
222.15414	0.9
240.95052	0.9
312.63361	1.1
355.98712	1.0
399.32809	4.5
417.33835	55.1
417.39459	1.8
443.31622	1.3
461.32916	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	461.3646
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
53.66186	0.3
59.01392	0.8
61.98839	0.6
62.67741	0.4
71.05038	1.8
72.00143	0.4
73.61362	0.4
80.64781	0.4
81.02763	0.4
94.57301	0.4
104.02142	0.5
109.10425	0.4
110.45255	0.4
127.60941	0.5
197.19098	1.7
257.36063	0.4
282.62552	0.5
321.55664	0.4
371.89618	0.5
461.36456	100.0
462.36923	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3641
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
75.00890	4.2
92.10763	2.9
103.00363	2.3
103.04007	4.3
107.02682	2.3
121.02959	3.2
122.03708	3.3
123.04523	28.5
123.08238	3.0
133.64348	2.3
135.04483	10.6
136.05298	26.7
150.07330	2.4
151.07658	14.4
175.07591	5.6
309.02115	2.7
419.35428	46.7
461.36453	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	463.0891
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
52.42691	0.9
67.48368	1.1
74.99114	7.2
76.20653	1.2
78.06422	1.2
83.01445	1.3
88.00226	1.2
107.01401	2.4
108.02216	1.7
109.02941	1.4
121.02937	2.4
135.00883	1.3
136.99228	1.9
148.01677	2.4
151.00359	15.5
161.02492	1.3
163.00439	2.0
178.99869	6.1
187.59579	1.2
191.05496	1.3
204.06612	1.5
205.07565	1.4
211.04106	1.5
216.04451	1.6
226.02826	1.5
227.03612	4.8
243.03046	18.0
254.02380	1.9
255.03017	34.7
271.02539	79.0
272.03387	1.5
293.64944	1.4
296.30115	1.2
300.02808	100.0
301.03598	38.6
329.15073	7.6
463.08875	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21732	0.2
59.01389	0.4
71.01671	0.2
117.03474	23.3
118.04288	0.3
119.05031	33.8
120.05394	0.2
121.02966	2.5
123.04541	0.9
125.09741	0.3
133.02962	0.9
134.03770	0.3
145.02972	100.0
146.03265	0.5
162.03358	0.3
162.50250	0.2
163.04036	17.5
297.24515	2.2
315.25479	8.6
397.34756	0.9
443.28140	0.9
461.29178	36.5
461.36383	19.9
462.29608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42105	0.4
54.82418	0.5
59.01336	0.8
82.28322	0.5
84.60810	0.5
117.03473	21.1
119.05029	32.8
121.02959	2.1
132.02173	2.1
133.02972	5.7
134.03755	12.7
135.04593	3.8
137.02444	2.7
145.02966	100.0
146.03310	0.8
160.01662	10.5
161.02409	6.3
163.04021	18.1
171.19373	0.5
175.04012	18.1
178.02782	0.8
179.03571	2.0
193.05060	4.3
285.21039	2.8
290.21176	0.5
297.24771	2.4
315.25491	10.5
373.03424	0.6
443.28641	0.8
461.30203	31.2
462.30728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84928	0.8
61.98858	0.9
72.60757	0.7
100.62482	0.8
103.65114	0.8
105.03464	3.7
117.03466	7.2
119.05029	1.2
121.02930	1.7
132.02185	8.1
133.02968	35.6
134.03751	76.1
135.04529	24.9
137.02481	12.1
139.04012	3.2
145.02963	9.6
149.06065	6.5
160.01671	56.4
161.02469	27.7
161.06100	1.9
175.04027	85.8
178.02730	5.2
179.03513	10.4
193.05084	27.2
194.02095	1.1
205.13029	0.9
267.19705	1.4
284.37866	0.8
285.20740	15.5
357.42023	1.1
359.18808	3.4
362.03677	0.9
429.23117	3.1
461.25525	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	461.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88120	0.6
59.11274	0.6
60.19442	0.7
61.98857	0.7
76.53658	0.8
89.04017	0.9
90.06454	0.6
91.08190	0.7
95.02031	0.6
99.95947	0.7
105.03474	4.0
107.13171	0.6
109.73093	0.8
110.78902	0.7
117.03468	5.4
119.05085	1.4
121.02944	1.8
132.02190	10.2
133.02954	30.3
134.03749	72.3
135.04536	22.2
136.87573	0.6
137.02454	10.4
139.04018	3.8
145.02945	2.9
146.03348	1.0
147.04506	0.8
149.06059	5.1
150.03169	1.2
160.01669	50.2
161.02446	24.6
161.06093	3.8
162.03206	0.7
162.47639	1.0
173.64243	0.8
175.04022	80.6
178.02696	6.3
179.03523	10.8
193.05090	25.2
194.02179	1.2
267.19742	2.9
285.20746	15.3
345.17090	1.3
359.18747	4.2
372.52225	0.9
395.51498	0.8
429.22943	5.7
461.25519	100.0
462.26108	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
81.42770	0.8
95.85549	1.0
101.93841	0.8
112.30339	1.0
125.06034	6.3
125.09691	1.0
137.09720	0.9
151.04002	6.2
163.14528	0.8
166.02719	1.3
177.12729	0.9
180.04300	2.1
202.59749	1.1
205.12366	0.9
207.10367	1.2
217.08754	4.3
221.08257	8.4
222.08972	4.0
223.09827	1.9
235.09781	82.0
236.10526	7.9
249.11365	17.0
249.18752	1.1
277.14413	1.9
315.16037	1.9
333.17126	19.6
335.18726	11.1
349.19864	1.0
392.22205	9.2
461.29227	100.0
462.28979	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	461.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18079	0.3
57.03440	0.3
59.01395	0.3
75.91817	0.3
80.33562	0.3
90.05478	0.3
92.10136	0.6
101.06059	0.3
123.04547	1.3
125.06106	4.8
137.09724	0.7
151.04028	8.2
165.12871	0.4
166.02742	0.6
177.01935	1.2
179.03534	1.6
180.04301	1.9
191.10762	0.8
207.10318	1.4
217.08725	3.6
219.83031	0.3
221.08224	5.1
222.09015	0.7
223.09669	1.1
235.09779	100.0
236.10565	4.7
247.09734	0.4
249.11232	1.8
333.17151	6.4
335.18655	0.5
375.21796	0.5
377.19800	0.6
391.20981	0.3
392.22128	3.6
461.29175	71.7
462.29459	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73721	0.9
59.01392	6.2
61.98841	1.2
71.01389	1.9
89.79902	0.9
115.84679	1.0
121.69927	1.0
131.37756	1.1
159.33224	1.0
415.27176	2.0
415.32300	36.0
441.30200	1.9
459.31223	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	459.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71017	2.2
52.82142	2.1
53.06186	1.9
53.45971	2.4
53.46219	1.9
54.78857	2.0
58.53225	2.6
59.01400	11.8
61.98860	2.2
81.42348	2.2
92.10165	4.9
108.14349	2.2
110.00752	2.3
127.07689	4.2
127.11314	13.4
145.08746	22.9
155.10774	2.9
157.12366	5.1
185.72212	2.4
313.23923	12.9
329.23438	9.9
331.24945	97.4
459.33405	100.0
472.59491	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	459.349
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
55.10710	1.2
57.93464	1.0
59.01400	5.3
61.98841	2.4
62.58140	0.9
105.16154	1.1
120.62333	1.0
127.06802	1.0
162.04752	1.1
182.65848	1.1
233.61728	1.0
262.77274	1.1
273.75439	1.0
363.75333	1.2
415.32443	1.7
459.35083	100.0
460.35553	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	461.094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98260	0.4
57.60319	0.4
59.01385	8.0
60.99313	19.0
71.01384	3.3
73.02954	0.5
75.00861	1.1
78.43811	0.5
78.91873	0.6
81.53651	0.5
82.95427	0.5
85.02971	0.9
88.98807	100.0
89.02451	1.0
93.03458	2.0
96.96022	3.6
99.00890	0.5
101.02429	1.1
101.03775	0.5
113.02477	0.9
121.02961	5.7
137.02400	2.9
149.62769	0.5
191.05611	0.7
194.34851	0.5
249.06232	4.2
251.18155	0.5
273.85968	0.5
371.09808	8.6
423.19064	0.6
461.14795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	2.6
61.98831	3.0
62.00877	1.4
68.39360	1.4
70.23326	1.4
73.10001	1.5
80.69150	2.1
83.97844	1.4
91.58537	1.6
93.06398	1.6
98.36604	1.8
137.33730	1.6
161.52682	1.7
178.03911	1.7
186.70976	1.7
193.91991	1.7
415.32254	57.1
415.37848	2.1
459.31195	100.0
470.25714	2.0
475.50461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83110	0.3
61.15878	0.2
67.83774	0.2
75.09353	0.2
76.58022	0.3
76.58402	0.3
87.37967	0.3
96.36462	0.3
105.19223	0.2
117.03473	22.1
118.04270	0.3
119.05032	10.5
120.89259	0.2
121.02971	1.3
145.02968	100.0
146.03291	0.4
155.10834	0.3
163.04027	4.4
171.77246	0.3
226.23164	0.3
295.22925	1.2
313.23914	8.5
334.40738	0.3
459.27655	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	459.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10225	0.3
116.92911	0.2
117.03470	22.4
119.05027	9.7
121.02968	1.0
123.04541	0.3
138.69026	0.2
145.02968	100.0
146.03287	0.7
155.10811	0.3
163.04028	5.2
171.10277	0.6
295.22806	0.7
298.89377	0.2
313.23914	7.6
373.27521	0.3
441.26395	0.7
459.27637	21.4
459.34265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2912
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
53.31157	1.1
54.19387	1.7
55.27124	1.2
55.89938	1.2
57.04503	1.2
59.01403	1.3
62.94035	1.2
67.91623	1.2
72.49495	1.3
88.56618	1.5
93.74011	1.5
100.58987	1.8
107.05013	26.9
109.73694	1.3
116.92852	19.8
133.64087	1.7
135.57596	1.4
148.02733	1.3
163.11288	100.0
222.66385	1.5
283.17093	20.5
295.16986	14.3
346.27628	1.6
459.29102	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.3
57.03467	2.7
58.00618	1.1
59.01386	48.5
65.18477	0.5
69.03474	0.8
71.01384	48.0
71.04703	0.6
72.99332	4.0
73.02951	20.5
73.03351	1.0
75.00890	2.8
81.03456	1.1
83.01387	6.2
85.02943	14.8
85.03365	0.7
86.40981	0.5
87.00903	2.4
87.04443	0.6
87.72013	0.6
89.02443	49.3
89.35853	0.6
95.01402	3.4
97.02961	5.2
99.00879	16.5
99.04545	1.1
101.02446	37.6
103.43934	0.7
105.05580	5.5
113.02457	15.2
115.04018	4.7
118.86760	0.6
119.03504	6.7
125.02452	7.5
131.03508	5.7
133.01479	3.3
143.03522	4.3
149.04590	11.4
159.02951	2.4
161.04576	14.6
164.42271	0.7
165.07578	0.8
179.05611	0.6
183.20915	0.7
191.05685	5.4
221.06857	0.9
233.06702	4.0
251.07892	1.0
267.10883	19.6
267.13574	1.2
284.02368	0.6
293.08862	2.6
327.12924	0.6
358.02545	0.7
399.15149	100.0
459.17291	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	459.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03473	0.3
57.69648	0.3
59.01382	10.9
71.01379	6.4
72.99319	1.7
73.02947	1.2
75.00887	0.5
76.37245	0.3
82.95435	0.3
83.01408	0.6
84.58381	0.3
85.02953	2.6
87.00887	0.6
89.02440	5.8
89.03967	0.5
92.10160	0.5
93.03480	0.7
95.01403	0.4
101.02451	4.9
113.02451	2.5
117.03485	3.8
117.73248	0.3
119.03525	2.0
119.05042	1.6
121.02979	0.4
121.05058	3.2
132.02179	18.7
133.02989	2.4
134.03740	35.3
135.04541	0.5
137.02490	0.7
145.02927	1.7
147.04541	1.5
149.06091	3.7
151.03976	0.5
160.01663	100.0
161.02264	0.7
163.03990	1.7
173.04591	0.5
175.04010	87.7
176.04715	1.7
177.05576	0.7
178.02776	1.7
181.05293	0.3
191.03561	0.4
191.05615	2.3
191.07199	1.5
193.05067	31.9
207.06631	0.7
235.06177	3.4
256.43161	0.4
261.17911	0.4
283.10349	0.6
333.25641	0.3
336.73035	0.4
337.09393	1.2
346.39441	0.3
367.10748	0.4
459.15137	61.6
460.15549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	4.1
59.01388	67.9
71.01386	47.2
73.02982	5.4
75.16599	3.9
85.02997	5.8
85.77587	4.0
89.02445	71.5
96.96001	4.5
99.00918	17.5
101.02473	27.1
103.08813	4.0
113.02478	5.1
116.76271	4.3
119.08686	7.9
125.02483	20.4
127.07709	4.9
129.09232	6.6
131.03508	8.6
135.04514	4.3
149.04478	32.0
173.68889	4.9
191.05664	19.3
221.06564	4.6
233.06775	10.2
241.63869	4.6
275.08069	4.4
293.08850	92.8
329.06436	64.8
377.14197	6.0
379.25171	8.3
423.24002	56.2
459.16370	100.0
468.76224	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	459.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.3
58.14065	0.3
59.01387	1.3
64.34455	0.2
71.01385	1.3
73.02946	61.0
82.26247	0.3
85.02943	0.3
87.00863	0.3
89.02448	0.5
99.00882	7.2
99.92573	1.8
101.02420	0.4
116.92865	24.0
117.01945	100.0
122.58793	0.3
148.64201	0.3
165.04033	0.6
169.00323	0.3
191.05652	1.8
243.12962	0.3
267.07269	1.4
327.77460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52860	0.5
59.01397	14.9
71.01398	8.7
72.22331	0.6
73.02976	1.1
77.77766	0.6
78.91910	1.1
83.01390	0.9
85.02972	1.4
89.02456	8.2
101.02464	5.3
103.04046	0.6
112.16898	0.6
113.02448	3.6
117.03466	25.6
118.98116	1.3
119.03606	1.2
119.05035	24.4
121.02991	0.7
123.04522	0.6
133.02969	31.3
133.06567	1.6
134.03781	0.9
135.04549	8.0
135.06606	1.0
135.51292	0.7
145.02974	97.9
146.03328	0.7
147.04474	0.7
151.06181	1.1
154.78389	0.6
161.02466	100.0
161.06044	5.7
163.02707	1.4
163.04033	31.1
177.05527	1.5
179.03548	7.4
205.05055	6.5
225.81061	0.7
235.06041	0.7
249.07764	0.6
265.07172	3.8
300.41260	0.8
376.74243	0.7
459.15201	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27569	0.3
59.01389	1.8
61.98832	0.4
64.34339	0.3
91.22633	0.3
91.67960	0.3
92.10111	0.6
92.32124	0.3
97.06596	1.5
102.58581	0.3
102.69914	0.3
111.12127	0.3
145.03015	0.3
164.04460	0.3
217.00270	0.3
377.28430	1.3
391.30057	1.3
393.31720	6.5
413.33478	0.5
425.30988	0.3
437.30670	9.0
439.32263	36.7
440.32455	0.7
457.33340	100.0
458.33707	2.4
470.75989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03333	0.3
51.96842	0.3
53.81770	0.4
59.01398	0.8
59.15632	0.4
61.98853	0.6
62.71260	0.3
63.62615	0.3
64.14286	0.3
65.90611	0.4
66.41402	0.3
78.66869	0.4
82.52563	0.4
86.47745	0.4
96.64304	0.5
136.02286	0.4
292.49332	0.5
320.36874	0.5
391.30054	1.6
393.31573	0.9
413.34555	0.8
439.32660	0.8
457.33325	100.0
458.33582	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	458.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
61.98843	100.0
70.51951	0.2
71.01395	1.1
73.02953	0.2
82.15988	0.2
89.02460	0.4
94.16796	0.2
96.67884	0.2
96.96008	1.1
99.00354	0.2
101.02458	0.4
110.42378	0.2
112.22015	0.2
113.02418	0.3
113.73960	0.2
120.67207	0.2
134.04709	0.4
221.32472	0.2
397.16455	0.3
398.16522	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	458.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98837	100.0
62.20710	0.1
64.96999	0.2
71.01411	0.3
89.02450	0.7
101.06114	0.2
145.03065	0.2
168.90111	0.2
174.29729	0.2
191.05780	0.2
225.60699	0.2
238.88187	0.2
304.96985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1283
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
59.01397	16.0
61.98822	34.7
71.01396	20.1
73.02982	6.1
83.73526	3.5
85.02966	5.0
87.45659	3.1
89.02458	21.2
96.96025	16.3
99.00864	3.9
101.02471	18.4
102.54070	3.6
102.88879	3.6
103.70372	3.9
113.02502	5.3
118.98072	6.0
125.02451	4.6
135.04527	37.8
141.87828	3.9
161.04543	5.9
164.29253	3.8
165.62390	3.3
168.81529	3.5
191.05547	4.2
399.17474	5.4
423.15082	58.0
446.74152	4.5
449.64990	4.0
459.12817	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	457.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	2.0
57.03453	0.4
59.01385	1.4
61.98833	0.3
71.05018	8.6
78.85355	0.3
108.35060	0.3
111.33287	0.3
161.74548	0.3
165.09160	0.4
189.12830	0.4
210.69363	0.3
383.29642	1.8
393.31671	2.2
395.28836	0.5
395.33691	2.4
397.31171	1.1
413.34326	38.1
439.32297	2.3
457.33353	100.0
458.33636	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	457.333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
54.82748	0.4
57.03469	2.1
59.01395	4.1
61.98802	0.3
63.16632	0.3
67.51759	0.4
67.74149	0.4
69.03475	1.8
69.20555	0.3
69.68126	0.3
128.42856	0.3
131.27271	0.4
161.37074	0.4
174.42694	0.4
176.19141	0.3
234.38081	0.4
238.76701	0.4
249.07381	0.3
284.94415	0.4
332.45520	0.4
374.98773	0.4
377.90582	0.4
413.34637	4.0
419.31915	2.5
421.32053	0.4
439.32562	0.7
457.33362	100.0
458.33798	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	457.3331
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.50198	0.6
57.03482	1.2
59.01406	1.6
76.51444	0.7
87.04547	0.7
97.06615	4.6
108.04081	0.7
123.08255	2.7
125.09724	20.0
125.10584	1.0
158.64604	0.7
160.02191	0.9
187.09671	5.8
217.00426	1.2
287.22278	6.7
302.55951	0.7
373.27475	0.8
391.30148	8.9
393.31805	13.3
395.29779	1.2
411.33273	2.4
413.34570	1.1
437.30887	4.3
439.32245	16.2
457.33304	100.0
458.33707	1.3
464.89960	0.7
480.55911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00809	1.0
54.90767	1.0
57.03470	5.6
58.08039	1.1
58.78084	1.0
59.01384	13.2
61.98840	1.3
78.50173	1.3
92.10902	2.5
97.06604	13.5
99.71440	1.2
107.32178	1.2
123.08190	6.3
124.04448	1.3
125.09736	67.5
128.48395	1.2
174.99257	2.9
187.09784	27.3
202.80327	1.2
217.00375	7.0
230.54514	1.3
269.21179	10.3
287.22430	10.5
294.52811	1.3
307.20798	1.4
374.99374	2.6
393.31683	5.0
439.32062	5.7
457.32715	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	457.3333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
54.40343	0.6
57.03456	3.5
59.01387	9.6
61.98839	1.2
65.23077	0.7
66.07977	0.7
94.98674	0.8
97.06602	8.7
100.30512	0.9
123.08172	5.7
125.09723	55.7
141.04593	0.7
155.74368	0.7
169.08743	0.9
169.59654	0.8
174.99284	1.7
178.18564	0.8
187.09772	23.7
217.00339	4.9
219.13971	0.9
229.49054	0.8
269.21295	8.1
287.22314	10.0
374.99588	1.1
393.31741	1.0
413.34454	1.1
439.32324	4.5
457.32797	100.0
458.33377	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	457.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	50.5
59.44623	5.4
65.72372	5.3
71.01408	32.1
73.36263	5.6
78.58550	5.5
85.02929	7.9
89.02444	10.2
101.02449	27.2
115.85230	5.7
116.15990	6.7
145.97321	6.4
147.48216	5.9
153.00247	5.7
235.14995	7.3
259.03271	7.0
289.16638	11.1
386.51224	6.2
421.20911	100.0
450.62033	7.1
457.18365	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1857
Annotation	SCHEMBL16243022
Peak:m/z	Relative Intensity
55.58171	6.4
59.01387	68.0
68.48871	5.7
71.01397	29.6
85.02950	24.9
89.02454	9.5
96.96003	9.4
101.02444	23.3
113.02446	8.0
121.02941	14.9
135.04527	7.5
135.98401	11.3
173.04585	12.1
191.05695	10.5
218.08246	6.0
387.20425	7.6
392.94104	6.6
421.20795	100.0
457.12381	12.4
457.18271	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12519	0.6
53.62050	0.6
55.65628	0.6
56.30932	0.8
60.52299	0.6
72.42634	0.8
76.57661	0.8
81.84603	0.8
92.10074	1.1
96.45047	0.7
98.62151	0.8
99.00879	3.8
99.92596	6.2
100.93376	12.8
115.92081	100.0
116.92877	7.5
132.92384	0.9
172.95496	3.1
457.22668	1.9
457.33078	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	457.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
56.54942	0.9
57.03464	2.2
58.00610	1.3
59.01385	81.1
61.98849	1.0
62.82491	0.9
66.59351	0.9
71.01381	31.4
72.97507	1.9
72.99324	5.0
73.02962	1.3
75.00888	1.0
83.01391	2.5
85.02955	11.0
87.00885	2.4
89.02437	33.8
89.02931	1.7
92.10161	1.1
93.03489	1.5
95.01398	1.4
96.96014	26.3
101.02441	22.2
103.00390	5.9
106.33788	1.1
106.52474	1.0
109.02959	2.0
109.93974	1.3
111.04525	2.1
111.90835	1.0
112.23396	1.0
113.02473	11.2
119.03524	13.7
119.05018	2.4
120.99682	2.3
121.06577	1.6
123.08173	2.5
125.02408	1.0
129.07095	1.8
130.02942	1.0
133.01479	1.4
133.02962	1.6
134.03775	1.7
135.03604	2.0
135.04532	28.1
153.05464	1.0
165.20198	1.0
171.11760	2.4
173.04578	5.3
179.01999	1.9
179.03505	25.6
179.05261	1.2
179.05626	1.1
189.12842	12.1
190.02919	1.0
191.05693	7.8
191.07170	1.1
233.11928	2.0
277.10898	6.3
335.12592	1.4
341.08871	8.9
353.08759	4.5
385.86386	1.4
457.17282	100.0
458.17355	1.5
474.19012	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	455.3536
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.56027	1.1
52.21455	1.3
54.82590	1.1
57.06197	1.2
66.64200	1.1
77.86758	1.2
91.94990	1.5
98.80448	1.2
104.53889	1.4
158.28285	1.2
172.10773	1.3
198.99086	1.2
419.35104	2.3
455.35403	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	456.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25291	0.1
55.96804	0.1
59.01394	1.0
60.01700	0.1
61.01822	0.1
61.98838	100.0
63.55897	0.1
71.01403	0.3
72.01714	0.1
72.08242	0.1
72.99338	0.1
73.02936	0.2
85.02968	0.2
87.00871	0.1
89.02470	0.8
91.02879	0.2
92.10108	0.4
101.02431	0.3
108.30785	0.1
113.02460	0.2
119.03501	0.1
161.05482	0.1
191.05634	0.1
265.05832	0.1
326.90619	0.1
329.98776	0.1
395.18216	0.2
396.18469	1.0
422.81982	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	457.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68753	2.8
59.01390	71.3
61.98845	23.9
62.84188	2.9
63.37627	2.8
71.01378	38.2
73.02965	7.2
77.63114	3.1
82.02045	3.0
85.02970	15.3
89.02445	74.2
93.03481	7.9
96.96025	4.4
99.00900	8.0
101.02449	28.3
108.32009	3.8
111.15529	3.3
113.02442	6.1
119.05042	4.2
125.02438	24.3
125.66418	3.3
131.03563	4.6
132.02187	18.7
134.03741	34.6
137.02451	7.0
145.02940	5.4
149.04562	43.7
149.05785	3.9
149.05995	3.4
160.01666	100.0
167.00027	3.9
173.04610	6.6
175.04018	84.3
177.01956	4.3
191.05598	42.7
193.05046	20.2
221.06609	4.4
233.06677	4.2
234.25542	4.4
275.07834	5.3
293.08862	39.3
311.09671	3.8
327.14020	3.2
329.06442	32.4
343.74442	3.1
393.11932	4.7
394.14767	3.4
397.19687	5.8
456.78531	3.6
457.16400	56.5
468.86893	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	455.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
113.09700	0.9
127.11247	0.6
141.09193	1.4
155.10757	1.3
159.10292	25.0
159.11612	1.0
167.29358	0.6
171.10217	3.5
224.73099	0.6
225.02467	0.6
275.20056	2.9
282.72113	0.7
291.23233	0.9
295.22726	5.8
313.23929	35.7
315.94324	0.6
379.26410	2.2
393.27893	1.4
395.29599	0.8
409.31201	62.9
410.31375	1.0
411.32718	5.8
455.31860	100.0
456.31827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71368	0.6
54.78566	0.7
60.86184	0.7
63.81823	0.7
76.07013	0.8
76.79346	0.8
85.16825	0.8
95.01315	0.8
117.80090	1.0
243.11839	0.9
395.29895	1.0
409.30826	1.0
411.32779	10.5
425.16068	1.0
455.31717	100.0
456.31906	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	455.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
60.78994	0.4
61.98816	0.7
76.51399	0.5
113.09724	5.1
127.11293	0.9
137.09749	0.6
141.09248	4.8
155.10748	3.2
159.10271	40.3
171.10327	5.9
251.41669	0.5
271.14044	0.6
275.20123	3.6
295.22791	9.7
311.22147	1.0
313.23907	55.4
379.26321	3.4
393.27753	2.8
395.29602	2.6
409.31177	78.5
410.31134	0.8
411.32504	3.0
455.32361	100.0
456.32559	2.9
475.45343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3536
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.40776	0.1
53.58487	0.1
64.77291	0.1
67.38068	0.1
92.41705	0.1
102.75613	0.1
175.99464	0.1
204.29857	0.2
252.83466	0.2
397.18518	0.2
455.35403	100.0
456.35660	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	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43165	0.2
56.28043	0.2
56.98768	0.2
68.90649	0.2
69.63668	0.2
69.66228	0.2
73.17290	0.3
76.06026	0.2
77.77505	0.2
174.23653	0.3
221.54292	0.3
327.19165	0.3
393.31781	0.3
455.35413	100.0
456.35718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32372	0.2
59.12892	0.2
61.54576	0.3
63.68121	0.3
63.78297	0.3
78.64776	0.3
84.48418	0.3
95.11131	0.3
123.53246	0.3
138.69124	0.3
320.09827	0.3
340.21701	0.3
443.46982	0.4
455.35413	100.0
456.35742	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	455.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08427	0.7
56.10562	1.0
59.01410	0.8
61.98839	0.8
68.24547	0.7
76.19138	0.9
76.96165	0.9
83.36066	0.9
122.08993	0.8
133.92278	0.9
175.11293	27.4
204.35413	0.8
213.39447	1.0
214.70117	0.9
319.19180	2.1
367.26157	2.1
383.29623	35.3
397.27573	1.2
409.31042	1.0
411.32739	12.3
415.28665	1.9
427.28702	1.0
455.31784	100.0
456.31863	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71714	1.4
52.33029	1.6
59.01392	8.0
60.99322	3.0
71.05043	2.3
80.28909	2.0
80.29428	1.9
97.06582	23.3
114.37120	1.9
130.18465	1.9
137.09680	2.6
207.13986	3.8
209.15549	7.4
215.18039	2.5
233.15523	4.2
235.17009	27.5
269.73376	2.0
283.24170	3.7
330.45789	2.1
347.24023	2.6
365.28558	4.1
373.25494	14.7
375.26987	22.4
389.28690	2.4
391.30075	27.0
393.31720	11.1
395.29657	13.9
407.25824	7.1
409.27380	8.7
409.31717	7.9
411.32782	82.8
419.31851	8.2
425.30826	15.7
437.30701	16.3
443.31958	7.5
455.31833	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	455.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86774	0.2
57.03436	0.3
63.24968	0.3
69.84304	0.3
70.73884	0.3
71.04990	0.4
78.22602	0.3
95.05022	0.3
97.06549	0.4
107.05038	0.5
188.12129	0.4
201.12805	0.4
203.14381	1.5
211.16533	0.4
231.13899	0.4
243.17450	0.4
247.17038	2.2
269.32123	0.4
273.18671	0.6
329.39987	0.4
333.99631	0.3
391.30396	0.4
393.31973	0.5
395.29620	6.5
409.31195	1.3
411.32764	78.8
412.33081	2.6
425.30487	0.4
455.31769	100.0
456.32410	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	455.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
64.34480	0.5
70.40606	0.4
74.45633	0.3
76.17944	0.4
94.26783	0.5
96.48814	0.4
109.39526	0.4
115.60362	0.4
125.59339	0.4
141.01730	1.0
150.03677	0.5
185.11862	0.5
189.46175	0.4
245.18985	0.5
259.17075	2.6
275.20221	5.3
291.19751	2.9
313.17914	5.2
383.29871	0.9
393.27734	3.5
395.29285	0.7
405.03162	0.4
409.31189	59.5
410.31238	0.9
411.32867	7.0
437.30417	1.6
455.31766	100.0
456.31982	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	455.3173
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
54.37936	0.2
56.31767	0.2
56.49242	0.2
57.74414	0.2
58.86945	0.2
59.01391	1.2
67.01912	0.3
92.10793	0.5
97.06570	0.9
97.84664	0.2
116.60130	0.3
131.73473	0.2
145.53940	0.2
163.11320	0.3
189.12709	0.3
190.75856	0.3
203.14409	0.6
255.23294	0.3
263.20078	0.2
333.75589	0.3
337.28638	0.3
391.30188	1.5
395.29727	1.6
407.29471	0.3
409.31012	2.5
411.32806	11.3
412.33142	0.3
445.59625	0.3
455.31754	100.0
456.32059	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	455.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08053	4.3
61.43964	5.0
63.28738	4.3
63.96289	5.4
70.46759	5.1
90.17972	4.8
107.05054	9.2
119.05022	12.3
121.06638	5.4
133.67847	5.0
135.04518	76.2
137.06053	20.3
147.04514	7.4
184.53175	5.2
212.01530	11.1
219.63039	4.9
255.10013	6.6
326.15652	100.0
454.34274	9.4
455.26266	6.2
455.34161	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.2
59.01383	89.1
68.46576	1.6
69.03477	3.4
71.01379	59.5
72.07312	1.7
73.02940	16.0
75.00875	8.6
77.07489	1.6
78.95888	1.8
81.03478	2.0
83.01431	1.8
85.02983	9.0
87.00874	2.9
89.02441	100.0
93.03423	2.6
95.01405	2.8
96.96026	3.6
97.02961	8.3
99.00878	22.2
99.04549	1.6
99.92602	2.2
101.02441	19.1
101.06068	30.2
103.08748	1.8
113.02486	7.4
115.04014	3.6
116.92864	2.4
119.03538	2.3
122.03723	15.9
125.02426	25.0
131.03523	8.0
137.02438	2.0
137.06090	6.9
139.07642	2.8
143.07115	3.5
149.04555	29.5
185.48135	1.9
187.11264	11.5
191.05687	14.8
205.12421	7.9
231.10210	2.1
233.06717	16.0
249.11371	3.0
293.08630	55.3
293.13293	2.2
376.31384	1.9
455.15955	17.3
463.43674	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22915	0.8
55.01874	3.9
57.03426	1.5
59.01383	71.7
61.98812	1.3
71.01004	1.5
71.01378	29.2
72.99284	1.1
73.02943	14.9
75.48905	0.9
76.83382	1.0
83.01385	4.0
83.42657	0.9
85.02939	16.1
87.00860	2.3
88.98780	6.3
89.02438	16.8
93.03434	6.2
95.01357	1.3
96.96008	7.5
98.95556	6.7
98.96380	1.2
99.00854	4.5
99.04533	1.1
101.02437	30.0
111.04474	1.9
113.02428	13.3
117.02737	1.2
117.03462	18.7
119.03452	4.6
119.05025	33.9
120.99612	1.1
122.22451	0.9
129.05490	6.6
129.06377	1.1
132.05681	1.1
133.02869	4.8
133.06535	6.6
134.03644	1.6
134.43517	0.9
137.02437	1.6
145.02962	100.0
149.04543	1.3
149.05956	1.5
159.02898	1.7
160.01541	4.5
161.02455	7.8
161.04475	7.3
161.06004	21.0
162.02902	1.0
163.04022	38.8
167.72340	0.9
173.04520	1.8
175.03883	3.7
177.05656	7.8
189.37436	1.0
191.05623	12.3
193.04996	1.2
205.05046	19.7
235.06190	7.4
251.20782	1.0
263.15015	15.9
265.07166	20.3
309.11972	48.7
325.09024	1.5
370.52502	1.1
381.06088	1.7
382.06326	1.5
395.19272	49.5
455.15439	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42869	0.2
55.90223	0.2
56.39051	0.2
59.01391	2.7
61.98832	1.2
62.80424	0.3
69.96561	0.2
71.01385	1.7
79.95739	15.8
80.96536	0.4
83.64781	0.3
85.02965	0.4
89.02427	2.0
90.02790	0.2
95.95226	2.1
96.96007	100.0
101.02449	1.2
109.96705	0.3
110.97598	2.4
125.35329	0.3
131.03442	0.3
137.02466	2.5
141.95824	0.3
149.04584	0.5
151.04002	0.4
157.19730	0.3
158.40984	0.3
161.02446	1.4
164.98607	0.5
176.04758	0.4
191.05621	2.3
191.07181	1.5
229.01514	0.4
275.02307	1.9
301.03931	0.3
317.03607	0.4
383.07837	0.3
394.18454	0.4
395.18774	1.8
440.07928	1.5
455.10239	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.3
61.98843	100.0
69.97287	0.2
82.05962	0.2
85.98316	0.2
86.59283	0.2
92.10139	0.3
106.02183	0.3
197.01009	0.3
245.43600	0.3
329.38593	0.3
398.10345	0.3
399.05103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64109	0.5
51.82024	0.4
55.19104	0.4
85.66948	0.5
98.46420	0.7
218.77150	0.5
218.97403	0.5
220.27675	0.5
279.23395	0.8
407.33313	0.7
453.33829	100.0
454.34119	1.1
457.03680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82673	0.2
56.62883	0.3
76.57488	0.2
109.07514	0.3
188.39890	0.3
229.80020	0.3
242.48514	0.3
453.33841	100.0
454.33972	1.9
471.40277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3381
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
52.71307	0.2
54.00594	0.2
54.40296	0.2
62.24871	0.3
63.87268	0.2
117.25131	0.3
141.10371	0.3
280.71176	0.3
453.33841	100.0
454.34296	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	453.3384
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.67624	0.6
62.98176	0.6
65.86260	0.7
77.49785	0.8
81.26776	0.8
109.42881	0.8
120.57567	0.7
175.02740	0.7
175.49178	0.8
230.71434	0.8
284.00134	0.8
453.33862	100.0
454.34528	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	453.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	14.2
57.03459	8.3
58.91181	0.9
59.01386	96.1
59.58298	0.9
69.03477	1.2
71.01383	94.8
72.37111	0.9
72.99309	2.1
73.02953	26.7
77.09473	1.2
83.01393	25.3
84.02134	1.0
85.02956	59.2
85.03459	2.2
87.00884	4.6
89.02438	23.3
91.58441	1.0
95.01383	11.5
95.01901	1.1
96.96003	1.0
97.02934	2.6
99.00880	13.0
101.02447	82.3
110.08679	1.0
111.00879	1.8
113.02451	43.5
119.03529	7.1
125.02457	4.0
126.20107	1.0
129.01903	1.1
131.03493	1.3
136.78163	1.0
143.03532	3.9
157.84946	0.9
159.03029	6.6
161.04570	27.1
208.56770	1.3
227.74677	1.0
291.18204	48.2
415.89487	1.1
453.23514	100.0
454.24121	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.4
56.80426	0.9
57.03466	2.9
58.00620	1.5
58.84383	1.2
59.01390	45.6
61.98851	1.6
71.01389	47.2
72.99323	2.0
73.02950	27.4
79.95737	5.3
81.03469	1.3
83.01395	14.0
83.37885	1.2
85.02960	32.1
87.00903	6.2
89.02454	11.3
93.03482	2.1
95.01405	2.7
95.95245	1.8
96.96014	70.8
97.02957	1.5
98.95608	2.0
99.00901	7.8
101.02450	55.6
109.55843	1.2
111.00922	2.2
113.02449	19.7
115.04005	2.1
125.02454	2.2
133.02982	2.0
135.04547	1.9
141.00760	1.3
143.03484	1.5
159.02986	2.8
159.13934	1.4
161.02457	4.7
161.04601	10.9
191.05644	7.4
214.74933	1.5
233.17728	1.2
241.00285	4.9
296.50143	1.4
321.19238	56.2
381.06769	1.6
453.08804	3.6
453.17950	81.3
453.23618	100.0
454.18192	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	453.2265
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
59.01392	2.0
60.58009	1.6
74.74996	1.6
75.66394	1.5
90.25356	1.4
106.59171	1.6
108.22631	1.5
117.03476	27.4
119.05029	34.6
129.54076	2.1
132.12656	1.8
145.02971	100.0
145.06660	3.5
163.04030	10.7
207.10034	2.0
277.13635	2.0
277.17822	8.9
287.16574	3.4
305.17404	9.0
307.18982	12.8
348.74893	1.6
409.23944	2.3
453.22699	94.9
453.28357	3.4
453.34396	21.7
453.77985	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	453.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	7.7
57.03459	3.8
58.00592	0.9
59.01384	42.7
60.54171	0.7
61.79767	0.8
68.49516	0.7
71.01380	42.9
72.99300	1.2
73.02951	22.0
75.00854	1.2
79.95737	1.0
83.01389	13.4
85.02958	27.4
87.00890	1.4
87.10217	0.8
89.02450	13.0
95.01393	5.0
96.96018	21.3
97.02952	1.4
98.95605	2.1
99.00902	8.5
101.02447	49.0
111.00896	1.3
113.02454	20.0
125.02446	3.5
131.03490	1.8
143.03432	1.3
151.04230	0.7
157.12225	0.8
159.03047	1.8
161.04562	12.6
179.84967	0.8
180.25322	0.8
185.48572	0.8
191.05635	3.0
233.06665	1.4
261.90701	0.8
321.19250	50.8
351.88129	0.9
356.91077	0.9
453.17825	23.4
453.23520	100.0
454.24066	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	453.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84213	0.5
53.32036	0.6
55.01886	1.5
57.03453	1.1
58.00601	1.1
59.01390	61.2
65.78616	0.6
69.73254	0.5
71.01384	42.7
72.99330	1.5
73.02946	13.5
73.53391	0.7
81.03481	0.8
83.01402	1.6
85.02967	9.7
87.00871	1.0
89.02449	69.3
95.01431	1.3
97.02969	0.9
99.00887	10.8
101.02444	33.3
113.02471	14.4
119.03503	15.1
125.02478	1.4
131.03508	7.1
131.57739	0.6
143.03551	1.2
149.04533	9.1
161.04576	5.3
178.43980	0.7
179.05580	3.1
191.05682	5.1
233.06715	0.9
242.88802	0.7
251.07716	1.1
261.13455	10.6
336.24265	0.7
393.17776	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	453.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01917	0.5
55.44597	0.3
57.03468	0.5
58.00601	0.6
59.01385	41.7
60.99329	0.5
69.03454	0.5
71.01382	29.7
71.54390	0.4
72.99326	2.0
73.02943	20.0
83.01386	1.7
84.29606	0.4
85.02951	3.8
87.00874	0.5
88.98831	1.9
89.02441	55.2
97.02950	0.8
99.00878	42.9
101.02443	18.7
101.03089	0.8
106.17713	0.4
111.46122	0.4
113.02454	4.5
113.09677	1.3
119.03506	2.9
120.99678	0.5
125.02445	2.6
131.03482	7.0
137.02464	0.4
141.09276	0.6
149.04553	9.2
154.08553	0.4
159.10278	2.3
161.04471	3.0
165.01898	0.9
179.03520	0.6
180.04355	0.5
183.23140	0.4
191.05632	15.3
195.06667	0.6
251.07681	0.5
261.13419	0.7
321.15475	0.6
353.72321	0.4
393.17822	3.6
453.19839	100.0
454.20059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97206	0.3
55.01880	4.7
55.50741	0.3
57.03458	2.3
58.00613	0.4
59.01384	21.3
64.34700	0.3
68.35284	0.3
69.03453	0.3
70.31349	0.3
70.52137	0.3
71.01382	30.2
73.02945	17.1
73.03354	0.6
75.00875	1.6
80.91660	0.3
81.03445	0.5
83.01389	7.0
85.02957	17.6
85.03458	0.6
87.00880	2.5
89.02450	6.6
95.01398	2.0
97.02985	0.8
99.00890	7.4
99.04561	0.3
101.02446	37.5
111.00914	0.7
113.02462	15.4
115.04029	1.3
121.02979	1.5
125.02451	1.7
129.01936	0.8
131.03516	0.7
137.41533	0.3
143.03554	1.4
148.97038	0.3
149.04536	0.7
159.02988	4.1
161.04562	14.7
169.08727	0.5
184.54408	0.4
233.06732	0.8
249.06201	0.7
261.13455	32.6
338.50021	0.3
340.71005	0.4
393.17737	100.0
394.18219	0.8
453.23804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84283	0.7
58.00603	1.6
59.01385	63.8
69.03464	2.1
71.01381	46.2
72.99311	1.8
73.02945	14.7
75.00875	1.2
79.03188	0.8
81.03481	2.0
83.01423	3.5
84.95123	1.9
85.02982	5.2
89.02441	100.0
95.01393	1.3
97.02945	7.1
99.00876	21.6
99.04513	19.3
101.02434	20.9
112.90158	0.8
113.02444	1.9
115.04035	3.8
119.03499	1.0
123.04459	1.0
125.02441	19.5
127.04121	1.0
131.03494	10.5
137.02492	1.6
143.03549	1.0
147.01636	0.8
149.04559	35.2
161.04555	2.0
171.84521	0.8
191.05626	12.0
221.06654	5.6
233.06659	11.8
275.07745	1.1
293.08841	44.9
301.82373	0.9
311.09854	8.0
417.13864	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	453.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82504	0.5
56.23168	0.4
59.01411	0.7
63.94847	0.5
64.29995	0.5
76.36299	0.5
79.95770	0.8
81.95303	0.9
85.02969	0.7
95.74385	0.5
96.96014	96.5
97.95947	4.0
98.95619	100.0
98.96453	18.2
99.92590	25.8
99.93245	0.7
100.93370	8.1
110.97676	0.6
110.99585	0.5
115.92080	45.0
116.64477	0.6
116.92869	8.7
133.03000	2.4
134.03764	8.4
135.04530	10.5
139.35367	0.6
161.02501	2.9
174.98610	0.9
179.03485	6.8
191.05649	8.7
192.05954	3.0
192.96033	0.6
193.06094	4.4
211.30571	0.6
215.95229	2.6
216.95941	3.9
217.96829	15.9
218.97585	51.3
219.94690	0.9
220.95459	0.7
221.96321	4.8
244.95529	2.4
250.96753	0.8
261.95807	0.9
262.96564	87.8
294.95496	0.7
307.08264	1.2
355.09604	1.1
373.00290	8.1
391.01376	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63411	0.3
59.01384	0.8
71.01372	0.6
78.95908	100.0
79.95736	0.4
89.02444	0.5
89.11723	0.3
90.65976	0.3
101.02418	0.4
110.89928	0.4
110.97635	5.9
110.98542	76.7
135.34149	0.3
291.59247	0.4
415.14630	0.6
452.80429	0.4
453.10693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.3
71.01405	5.8
72.99333	0.8
73.02945	1.7
75.92197	0.7
79.95742	3.6
81.03458	11.6
83.01395	1.3
83.05036	29.7
85.02969	3.3
87.00901	0.8
89.02458	4.7
93.03468	1.8
95.95223	4.2
96.96014	34.7
101.02459	3.8
108.02177	4.3
109.02967	3.3
113.02496	1.1
118.98128	1.6
119.05051	0.9
120.03020	0.8
123.00883	1.0
125.07195	1.9
127.07631	0.9
133.03004	0.9
135.04573	2.0
137.02467	1.1
138.97104	0.8
143.08275	1.5
168.00586	1.0
171.25473	0.9
182.02278	1.0
191.05652	6.8
192.05995	1.4
207.15050	5.5
212.54063	0.8
224.17693	5.8
225.16125	13.4
242.18880	1.1
253.09795	1.0
256.99814	1.2
271.13458	1.7
324.26663	3.8
333.22980	4.0
355.04608	0.9
433.31854	8.9
451.16656	42.3
451.32974	100.0
452.17026	1.2
452.32870	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	452.2791
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
61.03883	0.3
78.95908	18.9
107.11626	0.3
122.00166	0.6
134.98418	0.3
140.01213	5.4
152.99635	1.9
196.03836	10.0
214.05008	1.5
255.23337	100.0
256.23761	0.5
426.16327	0.4
452.27899	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	451.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68179	0.5
56.57059	0.5
59.01386	100.0
61.98845	0.9
81.03470	5.0
83.05025	17.1
99.53625	0.6
117.03468	0.6
121.02887	2.2
145.02965	6.3
160.13214	0.7
165.14331	0.6
287.22375	0.8
389.28152	0.7
391.29727	48.2
433.25894	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	451.3227
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
59.58125	1.1
63.40012	1.3
72.89481	1.1
81.08679	1.4
103.83572	1.4
107.37968	1.7
133.89455	1.4
137.79140	1.3
155.86183	1.3
187.47577	1.5
189.30501	1.6
386.43250	1.7
387.36459	1.5
451.32266	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	451.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
57.03452	3.4
59.01386	71.0
61.98532	2.5
61.98833	50.2
64.30288	1.3
68.99582	1.7
71.01385	60.1
72.99310	1.8
73.02943	21.0
75.00851	1.8
82.95415	49.5
83.01377	7.8
85.02950	24.1
87.00865	3.4
89.02441	44.1
93.03485	2.0
95.01394	3.1
95.37639	1.4
96.96006	63.2
97.02926	6.0
99.00884	16.6
99.04460	1.5
101.02436	46.5
112.98588	1.8
113.02457	22.6
115.04023	3.5
119.03469	7.8
120.99636	3.5
125.02440	3.1
125.15248	1.3
131.03450	5.5
135.04555	1.8
139.07646	5.2
140.02095	1.4
149.04565	6.0
151.00386	2.4
157.08710	2.1
159.03003	1.7
161.04530	10.2
162.50668	1.4
166.02669	6.0
179.03334	1.5
181.05070	2.6
191.05614	20.7
233.06705	3.0
255.06569	7.5
270.09012	2.9
301.10681	2.3
319.10648	2.4
319.14078	38.4
357.05975	1.6
451.18094	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	451.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32465	1.0
55.01876	1.7
57.03447	6.8
59.01388	97.7
61.98843	14.2
69.03475	1.6
71.01381	31.9
72.99311	1.8
73.02939	15.1
81.03472	1.2
83.01388	2.7
85.02956	12.0
87.00873	1.7
88.98803	2.6
89.01927	2.1
89.02445	42.1
93.03482	1.3
95.01376	1.6
96.96011	2.2
97.02927	2.5
99.00881	19.2
99.04458	1.1
101.02446	24.8
111.00821	1.4
113.02462	12.3
115.03993	2.1
119.03461	5.3
120.99640	2.0
123.90713	1.2
125.02419	5.0
131.03481	2.2
135.04495	1.5
147.66122	1.2
149.04526	7.6
157.07391	2.2
157.08710	57.6
161.04538	2.6
165.05560	2.3
166.02670	1.2
167.03479	1.9
191.05659	11.2
203.60916	1.1
233.06622	1.9
285.71466	1.3
319.10675	1.3
319.14078	24.4
391.16251	1.4
451.18039	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	451.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71806	0.9
55.01882	2.0
56.51821	0.8
57.03445	1.0
58.00596	0.8
59.01386	56.6
61.46374	0.8
69.03471	1.3
71.01383	46.4
71.97649	0.9
73.02945	14.3
79.95746	1.2
82.95424	3.6
83.01406	4.6
85.02950	13.6
87.00875	1.5
87.37270	0.9
89.02449	50.1
89.88873	0.8
93.03468	1.3
93.36270	0.8
95.01376	2.2
96.96014	100.0
97.02969	3.7
98.95586	1.4
99.00882	18.1
101.02451	29.9
113.02451	14.8
114.13850	0.9
115.04037	1.5
119.03484	7.8
125.02438	5.6
131.03542	6.7
135.04533	1.7
139.07654	1.9
143.03456	1.5
145.85034	0.9
149.04570	11.5
161.04550	7.2
165.01901	3.0
173.04597	2.1
179.03499	4.0
179.05566	1.7
191.05635	10.5
195.06721	1.1
201.17906	1.0
215.84814	0.9
221.54323	0.9
233.06697	1.7
285.57230	1.0
293.08862	1.2
319.14032	28.7
353.08688	1.9
451.18271	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14889	0.3
55.01882	0.6
55.03710	0.3
57.03458	0.9
58.00587	0.5
59.01389	24.0
64.34653	0.3
66.95942	0.4
69.03469	0.4
71.01390	16.9
73.02948	6.4
78.65439	0.4
79.95759	1.9
82.95428	31.9
83.01411	2.2
85.02969	6.3
87.00888	0.7
89.02453	18.8
93.03464	0.9
95.01385	0.9
96.96015	100.0
97.02934	1.5
98.95622	1.4
99.00883	6.9
99.04482	0.5
99.92545	0.6
101.02448	11.2
113.02463	6.9
115.03974	0.4
115.92062	0.7
116.92856	0.9
119.03491	3.6
125.02429	2.3
127.03983	0.5
131.03500	2.2
133.02928	1.9
135.04520	1.7
139.07660	0.7
143.03467	0.6
149.04546	3.9
157.08690	0.6
159.02986	0.4
161.04543	2.3
169.57542	0.3
173.04520	2.2
177.02010	0.4
179.03494	0.7
179.05569	0.6
191.05626	22.8
212.94914	0.3
215.95328	0.5
216.98004	0.5
233.06622	0.7
234.99168	0.5
255.69659	0.4
276.99951	0.4
285.04349	0.4
298.81693	0.4
319.14005	12.4
319.17432	0.7
343.96658	0.5
350.73996	0.4
353.08844	3.8
451.05246	0.7
451.18292	31.1
452.18506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59607	0.8
54.82679	0.9
55.01899	1.5
58.00595	1.0
59.01388	47.3
65.48011	0.7
71.01385	41.9
72.68286	0.8
72.99304	1.5
73.02947	16.6
75.00890	1.3
79.95735	0.8
83.01405	3.6
85.02958	13.9
87.00863	1.6
89.02448	48.9
89.98983	1.0
95.01441	1.5
96.96014	100.0
97.02953	1.6
98.95599	9.7
99.00879	18.2
99.92609	3.1
101.02442	30.2
105.03489	1.0
112.90870	0.8
113.02448	14.2
115.03999	1.1
115.92080	3.3
116.92878	5.1
119.03522	6.5
121.02959	24.1
125.02438	4.4
125.78578	0.8
126.67225	0.9
131.03500	5.0
133.02974	8.1
134.03809	2.6
135.04530	1.5
137.02451	1.0
139.07668	9.0
143.03571	1.4
149.04555	10.5
161.04555	6.8
178.02692	1.5
179.03537	1.3
179.05618	1.5
191.05646	28.9
191.92624	0.9
233.06726	2.0
251.07587	0.9
259.08258	4.4
293.08887	1.5
306.07657	1.5
319.14063	22.7
353.09085	2.0
391.12521	14.7
451.18341	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29548	0.2
53.73842	0.2
57.03445	0.4
59.01387	3.6
71.01389	2.1
73.02943	1.1
79.95744	3.4
80.96523	1.8
83.01382	0.3
85.02947	0.9
87.00906	0.3
89.02429	0.4
89.64362	0.2
95.95226	2.7
96.96013	81.4
101.02446	1.6
103.34705	0.3
108.73867	0.2
110.64156	0.2
113.02451	0.3
119.05003	1.2
121.77338	0.2
122.97594	1.9
134.03709	0.2
135.04559	0.4
137.02440	0.3
138.97112	2.3
150.97054	1.5
153.09203	0.3
163.03975	0.3
164.98674	0.3
169.17661	0.2
180.98080	1.2
182.66029	0.3
191.05592	0.4
225.00812	0.3
226.14906	0.3
241.00269	4.0
243.68924	0.3
256.99799	0.3
368.75677	0.3
446.17877	0.2
451.16528	100.0
452.16821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1647
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
51.84747	0.4
59.01383	3.0
68.02128	0.4
71.01405	1.8
71.20213	0.4
79.95741	3.8
80.96542	1.9
85.02981	0.6
92.10803	1.0
95.95242	4.2
96.96011	89.5
101.02481	0.8
114.38464	0.5
122.97569	0.6
138.97070	2.9
150.96999	0.9
152.48892	0.4
156.59987	0.5
177.04034	1.8
180.98117	0.7
225.00711	0.9
241.00246	5.2
243.47395	0.5
256.73627	0.5
256.99860	1.1
369.05637	0.5
451.16534	100.0
452.16898	0.8
474.36572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.4
55.39906	0.5
55.61471	0.5
57.03463	1.3
59.01389	14.0
59.01660	1.0
60.29635	0.5
61.98845	2.5
66.43000	0.5
69.03482	0.9
71.01382	24.2
71.01777	0.8
71.56579	0.5
73.02949	12.7
74.70218	0.5
75.02460	0.6
77.20731	0.5
83.01420	3.4
85.02947	11.8
85.03375	0.6
87.00871	1.4
89.02445	6.0
93.03496	0.8
95.01417	1.3
96.96012	100.0
97.02983	1.3
98.95607	5.0
99.00897	5.2
99.92596	1.1
101.02442	22.8
113.02455	13.0
115.04017	1.0
115.92103	1.1
116.92889	1.3
125.02468	2.7
133.02951	3.3
135.04462	1.0
135.91481	0.6
143.03534	0.8
156.00980	0.6
159.03035	1.4
161.02538	1.0
161.04587	12.7
178.02698	0.9
191.05641	19.6
222.86931	0.6
233.06689	1.5
242.20685	0.6
259.08267	12.7
293.08975	0.8
306.07297	0.6
353.08630	2.2
365.61749	0.6
391.12540	47.6
438.63049	0.8
451.05643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.1
60.27678	0.1
61.49173	0.1
64.11848	0.1
64.34523	0.1
71.01375	0.2
71.31013	0.1
74.06860	0.1
75.06668	0.1
78.95917	3.5
79.95747	1.6
89.02427	0.2
92.10796	0.2
96.96022	100.0
96.96912	6.3
98.95607	0.8
98.96394	0.2
132.76137	0.2
135.04510	0.7
179.03528	0.4
181.31506	0.2
191.05656	3.0
311.66412	0.2
353.08820	0.7
367.11938	0.2
376.88416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21319	5.8
51.55303	6.0
51.86372	5.1
59.01387	100.0
61.68043	5.7
61.70485	5.6
61.98839	17.0
71.01398	35.2
73.02937	9.3
83.01376	9.1
85.02971	29.6
89.02464	54.0
90.78516	6.6
93.03452	11.7
96.96018	63.9
101.02458	11.0
113.02472	11.0
116.45526	7.6
119.05015	17.9
135.04536	13.4
161.02374	11.6
163.03935	10.8
173.04489	10.2
174.04947	9.2
189.41408	7.2
191.05623	30.8
293.08878	49.6
415.16064	30.5
451.14502	66.6
451.25586	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56611	0.1
54.82238	0.2
59.01403	0.3
70.07840	0.2
71.01373	0.2
79.95764	1.5
82.46365	0.2
85.02964	1.1
93.03473	0.3
96.96015	100.0
98.95599	0.8
98.96419	0.2
99.92593	0.4
115.92055	0.3
116.92863	0.8
127.04012	0.3
133.02986	1.3
134.03722	0.4
135.04555	0.3
161.02373	0.3
178.02643	0.8
179.03418	0.2
191.05635	17.3
223.45387	0.2
230.24063	0.2
239.82530	0.2
306.07501	1.0
353.08871	2.1
366.45215	0.2
391.04263	0.2
407.00839	0.2
451.18201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.7
61.98836	100.0
71.01385	1.3
72.59824	0.4
73.02966	0.5
76.57878	0.3
85.02945	0.6
87.00823	0.3
89.02448	1.5
101.02431	0.3
101.16431	0.3
113.02461	0.3
135.04532	0.3
161.02437	0.4
166.18259	0.3
191.05609	1.7
384.08133	0.4
390.18652	0.6
391.16452	0.4
450.20901	0.3
452.65302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47961	0.2
54.11373	0.2
54.53483	0.2
56.31782	0.2
59.01380	2.2
61.98832	100.0
62.38691	0.2
71.01391	1.6
85.02948	0.4
87.00930	0.3
89.02441	1.3
91.01131	0.2
93.03438	0.9
94.49535	0.2
96.96011	2.7
97.61501	0.2
99.00902	0.3
101.02428	0.4
107.82504	0.3
113.02444	0.3
119.03465	0.3
120.99651	0.3
132.59750	0.2
137.48196	0.3
153.98639	0.3
173.04503	0.3
173.12543	0.3
191.05611	2.6
192.05806	0.3
313.41028	0.3
328.11301	0.3
449.62387	0.4
451.18100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2555
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
53.80038	1.4
55.48250	1.5
59.01384	3.5
59.80031	1.2
61.96764	1.7
61.98840	3.4
62.01302	1.4
78.35912	1.5
78.95899	3.4
84.29327	1.6
94.98244	1.4
95.98632	2.1
116.92867	2.6
117.44720	1.7
128.61568	1.5
133.02982	22.4
134.03748	6.5
135.04536	38.3
137.02406	1.9
142.66208	1.8
152.99600	3.2
159.18187	1.5
161.02452	100.0
166.95303	1.9
179.03479	11.7
230.49640	1.6
287.22403	10.9
431.24243	2.1
434.23425	1.8
449.25589	60.9
449.31992	3.5
467.71683	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	449.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82928	0.5
59.01390	100.0
67.15625	0.4
71.01382	0.5
78.56080	0.5
79.95740	0.8
87.31795	0.5
89.02457	0.5
92.10140	0.5
93.03469	0.5
94.92493	0.7
96.96021	57.5
109.02923	0.8
114.74558	0.5
133.02936	2.6
137.02460	4.1
177.01984	0.6
179.03522	18.7
194.05869	21.0
209.08231	11.6
215.05751	0.5
227.09315	10.4
267.72986	0.6
289.63519	0.6
359.61246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98830	0.4
71.01399	0.5
80.84196	0.3
82.58113	0.3
85.02967	0.4
96.96013	18.3
120.99642	0.8
133.02986	0.7
137.02452	5.7
152.04776	2.4
153.05611	0.9
184.03772	1.7
191.05600	0.5
197.04634	0.7
212.06927	10.2
216.73044	0.4
227.07086	0.7
227.09300	17.2
349.04587	0.4
434.38776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
66.49252	0.5
68.99603	0.7
69.78847	0.5
71.01394	0.8
74.36138	0.5
75.81998	0.5
79.66740	0.5
87.00871	0.5
88.98817	4.1
89.02466	1.2
92.65969	0.8
96.96011	15.4
96.96966	0.6
114.39631	0.6
117.05579	0.7
120.99617	0.8
125.02409	0.6
137.02443	2.1
149.02486	2.8
164.04794	9.7
165.05537	0.6
179.03490	9.2
179.07123	11.9
179.41296	0.6
191.40213	0.5
194.05827	7.7
209.08261	4.4
227.09294	11.6
270.46191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95447	0.2
56.17461	0.2
56.29295	0.2
58.67371	0.2
59.01394	4.1
59.01658	0.3
61.07809	0.2
61.98845	2.0
67.01924	0.4
71.01400	2.0
73.02968	0.5
79.95747	1.9
83.05065	0.5
85.02972	11.0
85.03462	0.5
87.00890	2.7
92.10070	0.5
93.03463	5.3
95.01417	0.3
95.95256	1.5
96.96017	20.2
99.04520	0.5
108.42360	0.3
109.02985	1.4
111.04539	1.5
113.02470	0.3
120.96468	0.3
127.04048	3.2
129.70958	0.3
138.97119	1.4
148.10980	0.3
150.97147	0.3
151.00432	0.5
155.03496	0.3
171.03023	1.4
172.05299	2.1
173.04572	2.7
179.00166	0.2
183.04530	0.3
187.07671	10.9
191.05650	100.0
192.05981	1.0
193.06154	0.3
198.99184	0.5
199.04008	1.6
213.09215	1.1
215.07246	2.1
225.00734	0.6
227.03537	1.7
228.04356	1.0
229.08821	1.1
231.10234	0.5
241.00226	1.2
257.08231	9.0
264.74234	0.3
275.09283	1.2
287.05878	0.3
313.62698	0.3
357.39169	0.3
449.14954	25.9
449.24008	2.0
450.15051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1492
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01390	7.9
64.08204	0.8
67.01904	1.3
69.03454	1.0
71.01386	6.9
72.99304	0.8
73.02935	1.1
75.00896	1.0
79.95752	4.7
80.96525	3.8
85.02965	10.1
87.00883	6.8
89.02431	1.7
92.10249	1.2
93.03467	10.6
95.95248	5.6
96.96015	88.6
105.01954	1.6
111.04523	1.3
113.02444	1.6
122.97581	0.9
125.02396	0.9
127.04060	1.6
135.04552	12.1
136.54698	0.8
137.02452	1.9
137.09697	1.5
138.97078	4.1
150.97075	1.4
151.00415	9.8
152.01112	1.3
155.03593	1.2
155.10777	7.3
159.04581	1.3
172.05341	1.3
173.04579	8.6
173.05995	1.8
174.06792	1.2
177.04019	1.4
187.07666	11.7
191.05637	58.2
198.99219	1.4
201.05663	1.6
202.06380	5.1
213.09282	4.0
215.07155	3.7
220.95584	1.1
225.00722	1.1
229.08733	1.3
231.10313	6.8
241.00220	3.5
257.08212	4.5
270.11237	1.0
275.09225	12.1
287.05688	7.4
357.55219	0.9
385.10559	1.0
449.14969	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	449.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15873	0.2
59.01394	5.6
59.70079	0.3
61.98849	1.4
63.22903	0.3
67.01901	0.6
71.01401	1.9
73.02966	0.6
74.96157	0.3
79.95752	2.6
80.96511	0.4
81.03461	0.5
83.05038	0.4
85.02961	14.1
87.00881	2.9
89.02430	0.6
93.03456	6.4
95.95228	3.4
96.96013	28.5
99.04525	0.5
101.02468	0.7
109.02975	1.2
111.04539	1.5
127.04013	3.3
138.97112	1.4
150.97122	0.4
155.03458	0.4
171.03047	0.5
172.05273	2.2
173.04556	2.0
173.05988	0.6
182.48146	0.3
187.06216	0.3
187.07660	13.2
191.05635	100.0
192.05963	1.3
198.99196	0.4
199.04042	1.2
211.07770	0.3
213.09245	0.7
215.07124	2.7
225.00723	1.4
227.03543	1.8
228.04372	1.2
231.10202	0.7
235.66272	0.3
241.00291	1.2
257.08243	9.4
275.09314	0.5
322.10010	0.3
347.92239	0.3
449.14960	32.5
449.23706	2.4
450.15579	0.5
466.47055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.5
59.01397	13.6
60.99331	0.4
61.98840	0.7
67.01914	2.2
69.03473	2.0
70.67065	0.4
71.01397	4.9
73.02971	1.9
81.03473	1.1
83.05042	1.6
85.02965	13.3
86.32765	0.4
87.00883	7.8
89.02473	3.3
93.03458	16.8
93.04012	0.7
99.04502	0.6
101.02441	1.0
109.02973	2.8
111.04533	5.7
113.02454	1.8
116.97242	0.4
119.03539	0.6
127.04009	3.3
129.01926	0.6
133.02937	0.5
135.04546	5.3
137.02480	1.0
146.03746	1.9
149.06093	2.1
151.07713	0.8
155.03481	3.0
158.03770	0.9
159.04533	7.4
161.02457	0.8
161.04594	1.0
171.03043	0.8
172.05307	9.1
173.04559	12.1
173.06096	10.5
174.06908	0.9
175.07645	0.7
179.03552	1.7
182.03848	0.8
183.04520	2.7
187.04120	6.9
187.07668	52.0
188.08154	0.6
191.05646	100.0
192.05981	0.8
197.06145	1.7
199.04118	0.9
200.04817	4.7
201.05600	10.3
202.06409	18.7
203.07040	0.7
203.10811	2.6
204.04262	1.0
211.07684	1.0
213.07349	0.8
213.09256	14.4
215.05202	0.8
215.07211	16.0
216.07896	2.4
227.03584	1.7
227.16487	1.6
228.04323	0.9
229.01366	0.9
229.08711	6.4
231.06789	5.7
231.10280	24.4
232.03778	0.9
247.09854	0.5
257.08194	9.7
275.09286	38.7
389.21790	3.5
449.14661	13.5
449.20172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56453	1.3
55.01904	1.8
55.22454	1.1
57.03465	1.9
59.01390	39.0
60.01736	1.5
61.98856	6.8
67.01909	6.6
71.01387	25.3
73.02972	6.7
77.50493	1.4
81.03462	1.7
83.01413	9.4
83.05081	2.5
85.02963	19.8
87.00884	11.2
87.36912	1.2
89.02447	13.1
93.03462	62.0
95.01421	6.0
96.77795	1.4
96.96030	2.3
99.00891	1.9
99.04543	2.2
99.20249	1.3
101.02446	12.0
108.02218	3.0
109.02981	3.2
111.00916	6.2
111.04551	7.1
113.02455	7.3
119.03537	2.8
121.03043	1.5
122.03741	22.4
123.00887	24.8
123.04544	16.7
124.01659	5.7
125.02499	1.6
127.00397	6.0
133.03004	3.3
134.03773	2.8
135.04547	17.2
136.01692	1.5
136.04897	1.4
136.98837	7.9
137.02458	36.3
137.99690	1.8
138.03239	31.4
139.00383	32.7
139.04012	6.3
145.02956	2.8
147.04567	2.5
149.02481	2.4
151.04129	1.6
153.01978	2.9
153.05609	17.9
154.02705	2.5
155.03522	2.5
156.55592	1.4
158.03714	1.4
159.04491	3.1
161.02455	7.4
161.04659	1.7
162.03233	1.5
163.03964	1.8
173.02336	5.5
173.04578	39.9
173.05998	3.6
175.04062	2.5
176.01154	5.5
177.01921	3.3
178.02693	3.2
179.03484	10.5
179.05600	1.6
187.04070	2.4
187.07634	10.3
188.04869	1.9
189.01970	8.7
190.02769	14.9
191.03584	14.4
191.05627	100.0
192.04305	2.6
192.05945	2.7
193.05118	2.2
203.03574	6.4
203.07327	2.0
204.04315	2.6
205.01485	2.1
205.05075	19.4
205.54836	1.5
213.09236	2.5
217.01492	10.1
218.02235	8.3
219.02960	3.2
219.06728	1.9
222.01653	1.6
229.01384	2.0
231.03023	2.1
231.10278	2.1
232.03873	11.6
233.04555	12.6
234.72855	1.4
235.06279	1.4
237.05476	1.7
243.67625	1.4
247.02510	1.5
247.06223	12.7
247.61987	1.4
257.08218	7.5
269.04681	3.0
275.09253	8.8
278.06253	2.2
281.06808	14.9
293.04904	1.6
297.04016	2.9
309.04004	2.5
313.03433	1.7
325.03616	1.7
327.08661	1.9
339.08795	1.7
352.05981	3.0
353.03058	2.0
355.08197	5.4
356.05313	2.0
359.07886	1.8
369.10034	2.2
371.07904	16.5
383.07831	11.4
384.07892	1.9
385.09216	3.0
386.10214	17.5
388.20819	3.1
389.12656	8.4
389.21237	6.5
401.12521	70.2
402.12720	1.9
405.11911	22.8
413.12363	15.3
419.13690	19.0
431.13684	35.4
449.15158	45.0
449.20435	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	448.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32909	0.3
59.01394	7.3
60.01748	0.5
61.98843	100.0
71.01402	1.9
73.02956	0.3
85.02977	0.6
85.63277	0.3
89.02456	0.6
93.03463	0.4
101.02444	0.4
113.02460	0.4
171.49043	0.3
177.01984	0.4
191.05667	1.9
310.35880	0.3
369.51840	0.4
383.07648	0.4
396.72128	0.4
412.18948	0.7
423.90222	0.4
448.16531	0.8
468.20911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14885	0.6
54.83037	0.6
59.01387	100.0
64.16680	0.7
70.25052	0.5
71.01407	4.2
72.99327	0.7
73.02961	1.6
81.38284	0.6
85.02971	0.9
85.10406	0.8
88.98811	1.2
89.02444	6.0
89.69995	0.7
96.96013	58.8
99.00923	1.5
101.02433	2.8
101.57240	0.8
113.02453	0.9
113.62881	0.6
117.05597	0.8
131.03578	0.7
133.01442	0.8
133.02983	3.0
135.04324	0.7
137.02493	2.9
149.02478	1.0
149.04489	0.9
164.04832	2.4
177.24127	0.6
179.03519	14.4
179.07199	3.7
191.05667	1.0
194.05887	16.0
206.94016	0.8
209.08209	6.1
222.24208	0.7
227.09311	11.2
276.65375	0.7
277.99860	0.7
281.12415	0.8
293.08771	1.4
295.10403	1.5
355.12628	3.3
393.14288	0.9
401.91620	0.8
413.16647	12.9
432.64157	0.7
449.14355	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00031	0.3
58.29010	0.2
59.01385	6.9
60.01713	0.3
61.98835	100.0
63.49967	0.2
71.01390	1.5
77.68619	0.2
79.09057	0.2
81.50758	0.3
82.02315	0.2
85.02985	0.3
86.86928	0.2
89.02444	0.6
90.02802	0.2
92.65691	0.4
93.03417	0.4
101.02418	0.7
106.98495	0.3
113.02423	0.4
133.02934	0.3
134.44875	0.3
135.04565	0.3
153.05658	0.3
191.05650	1.1
343.70737	0.3
412.19238	1.2
448.17087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43379	1.0
51.01582	0.8
57.03465	4.3
59.01395	36.6
60.01703	1.1
61.98841	100.0
68.99821	1.1
70.64373	0.9
71.01391	21.4
72.99320	2.5
73.02983	1.1
75.00878	15.1
76.45823	0.9
81.03468	1.0
83.01417	1.1
85.02963	22.9
87.00908	6.7
89.02450	13.5
91.05531	18.1
93.03487	1.8
95.01405	6.4
99.00881	7.7
101.02441	2.0
103.00400	2.1
111.00820	1.4
113.02467	32.0
114.33626	1.0
115.00337	1.1
117.01949	2.1
117.03490	4.5
126.29591	1.0
131.03453	1.3
135.04546	8.9
143.91638	1.1
191.05656	6.7
207.05194	1.2
231.05190	1.5
249.06203	24.7
258.78232	1.2
267.07239	61.1
313.72910	1.2
366.55981	1.2
385.11462	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13158	0.3
57.03450	0.6
58.03843	0.3
59.01400	1.3
61.98861	0.3
85.06622	0.5
92.39857	0.3
103.91404	0.3
107.05026	0.5
109.67673	0.3
111.04528	3.6
111.31225	0.3
121.06567	0.3
123.04560	0.7
149.06023	0.4
151.04045	7.7
162.26311	0.3
172.07010	0.3
177.01852	0.4
177.09175	0.4
179.03520	0.4
180.04260	0.7
182.97008	0.4
193.08743	1.9
203.07182	4.2
207.06627	5.5
208.07445	1.8
209.08255	3.0
221.08223	100.0
222.08975	6.5
235.09792	4.3
235.17024	0.8
279.23203	1.3
287.20465	0.4
301.14651	0.6
308.16351	0.5
319.15573	6.6
321.17139	0.5
363.18073	0.4
378.20615	3.0
387.55151	0.4
403.28534	0.6
447.27600	70.1
448.27890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02601	0.4
52.83756	0.4
53.95818	0.4
57.03458	0.9
59.01400	3.3
61.12901	0.6
61.98844	0.7
78.95919	7.5
82.35775	0.5
85.06612	0.6
110.98532	4.7
111.04566	2.6
123.08215	0.7
135.62328	0.6
137.72983	0.6
151.04030	2.0
152.99631	0.6
165.05540	0.7
167.01161	2.4
185.02286	1.2
191.10880	1.0
203.07205	1.2
207.06668	3.6
208.07437	4.1
209.08228	1.9
217.08775	0.8
221.08231	54.8
222.09007	3.9
235.09784	10.2
235.17155	0.8
236.05702	0.5
279.23322	100.0
280.23770	2.4
301.14648	0.8
308.16589	0.7
319.15546	12.0
321.17154	9.4
335.18790	0.9
378.20496	5.1
403.28568	0.8
447.27661	61.7
448.27731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36440	0.5
56.82985	0.4
57.03463	0.7
58.01479	0.4
59.01394	2.2
61.26103	0.4
61.98839	0.6
72.76917	0.5
81.54488	0.5
83.78120	0.6
87.42304	0.5
88.50060	0.5
92.10754	0.8
93.03386	0.7
94.16775	0.5
102.37644	0.5
117.03476	18.4
119.05022	63.3
121.03027	0.5
135.04491	1.2
145.02965	100.0
148.31581	0.5
159.10947	0.5
161.02525	3.6
162.12816	0.5
163.04019	40.7
182.57227	0.6
185.28751	0.5
186.07974	0.5
221.19148	12.2
221.21243	0.9
240.86862	0.5
265.18130	6.9
283.19159	10.5
301.20258	16.9
403.32205	0.9
429.22800	0.7
447.23929	46.5
448.23669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
61.98846	0.3
63.03154	0.4
67.49568	0.4
73.20505	0.3
76.78712	0.3
80.58612	0.4
97.65552	0.4
107.04993	0.4
114.38823	0.3
117.03482	1.6
121.03027	0.5
132.02122	0.6
133.02954	30.2
134.03757	7.5
135.04530	39.3
137.02478	3.0
139.04056	0.6
159.69345	0.3
161.02454	100.0
178.02762	0.7
179.03484	11.1
256.44827	0.5
267.19678	0.7
285.20746	11.0
429.23163	3.1
447.23969	49.4
448.24036	0.5
457.70993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
65.63730	0.3
71.01383	8.2
85.02950	1.8
89.02434	14.1
92.10122	0.4
96.95972	0.5
99.00889	0.4
101.02454	4.3
102.86311	0.3
113.02455	3.2
114.28441	0.4
119.03495	5.1
123.04530	2.3
123.79361	0.3
127.44879	0.3
128.23044	0.3
134.25906	0.4
135.06781	0.4
137.04337	0.4
142.11607	0.4
143.03506	1.5
161.04564	1.3
167.03499	6.1
179.04105	0.4
179.05629	9.6
204.15169	0.4
209.04585	1.3
387.16675	0.7
447.15088	5.7
447.22223	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	447.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89690	0.7
58.74755	0.6
59.01406	1.0
117.03474	19.3
119.05039	67.6
133.02965	7.1
134.03746	1.4
135.04555	9.4
145.02971	100.0
161.02467	23.1
163.02718	1.4
163.04037	37.7
179.03497	3.1
221.19121	10.1
229.86288	0.8
245.77733	0.8
265.18155	6.8
283.19122	10.1
285.20767	1.7
301.20261	21.2
401.98050	0.7
447.23935	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
74.74957	0.3
85.23806	0.3
96.91022	0.4
107.05029	0.5
117.03471	2.5
121.02927	0.6
126.54884	0.4
132.02194	0.7
133.02962	32.7
134.03746	9.3
135.04529	46.3
137.02470	2.9
139.04031	0.5
161.02460	100.0
178.02711	0.8
179.03520	12.7
187.53220	0.3
231.80548	0.3
265.18283	0.5
267.19775	0.5
285.20746	12.4
285.23856	0.5
429.22855	2.7
447.23953	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
59.92946	0.4
61.98863	0.8
64.95039	0.4
65.48581	0.4
66.29462	0.5
70.83309	0.5
71.01386	5.9
76.35681	0.5
78.18714	0.5
85.02971	2.1
89.02447	7.5
92.10451	4.5
101.02436	4.9
113.02454	2.6
119.03513	3.0
161.04611	1.1
179.05679	2.4
189.12852	2.8
204.82797	0.5
207.14014	0.8
245.27893	0.6
252.86612	0.6
387.20352	8.1
447.22189	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1512
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
59.01385	69.4
71.01378	42.3
72.99303	1.7
73.02941	15.5
78.91888	20.3
83.01371	2.0
85.02959	2.7
89.02442	100.0
91.71011	1.1
92.65784	1.2
93.03465	8.8
96.96009	2.0
99.00876	28.3
99.01437	1.6
101.02435	28.9
113.02490	5.4
119.03497	2.1
125.02470	2.0
130.63699	1.5
131.03488	12.1
135.04492	1.5
136.01680	2.6
137.02449	21.5
137.34048	1.7
149.04567	43.4
153.99168	1.4
161.04550	1.9
165.07715	1.3
170.49472	1.3
171.49924	1.5
173.44945	1.4
179.03593	5.4
191.05646	18.0
221.06677	5.0
239.05750	3.1
251.07736	1.6
311.09863	2.2
447.15305	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.9
59.01385	100.0
61.98846	1.3
65.20816	0.8
69.03472	1.4
70.10464	0.9
71.01376	16.4
73.02955	3.9
75.00890	1.1
85.02953	7.6
87.00892	2.2
89.02442	21.2
93.03462	11.1
96.96008	13.5
97.02952	2.0
98.95596	4.1
99.00878	1.5
101.02462	7.2
109.22190	0.9
111.60940	0.9
113.02437	4.1
119.03487	1.7
121.03012	1.5
125.02421	4.5
127.17801	0.9
129.10327	1.1
131.03519	1.1
135.02791	1.1
149.04581	1.9
161.04588	1.1
164.72925	1.0
167.03477	1.9
173.04642	1.3
173.96039	1.0
179.05571	4.1
182.76857	1.1
191.05614	14.6
229.08601	1.3
232.75301	1.0
233.06688	4.1
273.07587	1.7
293.08844	15.3
387.12701	1.6
409.17181	1.3
411.18604	1.2
447.13861	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	447.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
58.00599	4.5
59.01384	100.0
65.61508	0.5
71.01379	12.8
72.99283	0.7
73.02939	9.5
76.66665	0.5
82.95425	4.3
83.01402	0.6
83.05054	1.0
84.10928	0.7
85.02939	4.4
87.00850	0.5
89.02436	14.9
95.01401	0.7
95.04498	0.7
95.05005	4.8
96.95998	0.7
100.52089	0.6
101.02432	6.9
109.02866	0.8
109.08981	0.6
112.53375	0.7
113.02416	4.6
113.06087	8.8
114.99707	0.6
118.48631	0.7
119.03493	5.3
121.06602	1.2
143.03477	0.7
156.36092	0.6
161.04623	0.9
163.11292	10.6
171.79620	0.6
179.05577	5.1
181.12302	5.1
189.09216	1.1
191.05632	0.9
207.10329	8.0
225.11342	29.2
229.60019	0.7
273.10516	0.7
387.16580	14.5
387.20981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17290	1.2
52.84362	1.2
52.85303	1.5
59.01389	10.5
61.57726	1.3
61.98833	13.2
62.96449	1.5
64.26730	1.7
64.98124	1.5
75.13714	1.3
78.95909	43.4
92.10086	2.6
96.96993	2.4
111.41265	1.8
133.06995	1.6
149.00104	24.5
167.92712	1.5
200.89247	1.5
203.49789	1.5
205.15927	3.2
217.53117	1.6
271.99185	1.5
303.76782	1.5
417.12579	1.8
431.10498	2.4
447.13516	100.0
447.31317	9.4
448.14243	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	447.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37282	0.2
59.01393	3.1
64.34240	0.3
71.01376	1.6
72.99308	6.3
75.00863	4.9
77.47163	0.2
78.90754	0.2
83.46394	0.2
87.00875	1.4
92.10039	0.2
103.00471	0.3
105.01936	100.0
115.00381	3.2
115.10476	0.3
129.13820	0.2
133.01437	5.1
134.54602	0.3
143.24431	0.3
170.80960	0.3
211.06154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73818	1.0
54.25907	0.8
54.98227	0.8
59.01387	100.0
61.98841	8.6
71.01401	4.5
72.15569	0.9
73.63956	0.9
89.02446	3.9
96.95998	12.0
109.02978	1.5
112.69149	1.1
116.92855	1.9
117.00475	1.6
125.02449	1.3
141.01717	36.6
153.05566	4.8
177.01984	1.5
191.05672	1.3
225.07666	5.5
335.75027	0.9
387.11365	4.3
447.15176	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	446.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15113	0.2
59.01387	0.4
59.58067	0.2
61.98837	100.0
63.92822	0.2
71.01391	0.5
73.02963	0.2
73.79708	0.2
89.02446	0.3
96.96001	1.3
100.79635	0.2
101.02423	0.3
101.07355	0.2
112.55775	0.2
124.66618	0.3
124.72478	0.2
126.06415	0.3
128.69501	0.2
130.26868	0.2
131.05214	0.2
136.34116	0.2
142.86113	0.2
153.39450	0.2
200.12503	0.3
256.15878	0.2
299.24170	0.3
386.16422	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	446.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18722	1.4
55.24179	1.3
59.01399	1.4
78.89281	1.6
102.95613	1.8
105.05097	2.0
135.08162	3.5
135.18227	1.7
152.51927	1.6
157.27112	1.9
162.06940	7.8
163.07669	72.9
200.11366	1.6
446.37753	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	447.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.0
61.98822	1.8
65.00342	1.6
65.05769	1.3
71.01375	10.4
75.56828	1.3
83.01425	1.6
85.02966	3.1
86.43796	1.4
87.00901	2.3
89.02440	25.9
93.03468	2.8
101.02456	2.9
107.01456	5.5
108.02189	2.2
109.02953	3.5
113.02502	1.4
121.02940	3.6
134.74901	1.8
135.00780	1.8
145.02963	2.5
148.01620	2.1
151.00383	23.1
159.04533	1.5
160.05307	2.1
163.00385	6.0
164.01108	1.7
173.04515	2.1
178.99843	8.0
191.05675	24.4
199.03978	2.4
201.09314	2.2
211.04160	1.9
226.02751	2.0
227.03491	5.2
229.08636	2.2
243.03014	15.4
245.04485	3.3
254.02351	2.3
255.03032	40.8
271.02515	73.9
273.07596	1.7
283.02454	2.8
300.02792	100.0
301.03574	73.4
301.06357	1.7
329.14084	2.4
447.09378	72.4
447.22125	23.9
466.17191	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	447.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68135	0.4
54.09008	0.4
56.62972	0.4
57.03460	0.6
59.01391	8.5
72.99337	0.4
73.02965	0.7
84.94187	0.4
85.02955	5.6
87.00915	1.7
89.02451	0.9
89.81046	0.5
93.03461	4.8
101.02447	1.8
107.01410	0.5
109.02946	0.4
110.76324	0.4
111.04552	0.6
113.02467	0.8
127.67255	0.4
135.00899	0.7
135.04576	0.5
151.00400	1.8
159.04427	0.5
161.02536	0.7
163.00360	0.7
173.04553	1.7
183.04576	0.9
185.06064	1.0
187.03944	0.7
191.05646	28.4
200.04787	0.6
201.09363	0.5
210.75833	0.5
211.04071	2.1
211.07678	1.9
213.05484	0.6
227.03535	86.6
228.04019	0.8
229.05103	2.9
229.08661	3.7
239.03409	0.6
255.03015	100.0
256.03793	8.3
257.04559	2.2
284.03296	68.1
285.04080	28.6
327.05292	0.8
387.20483	0.9
430.31427	0.5
447.09390	77.6
448.09924	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	446.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54131	0.4
59.01387	2.8
61.09494	0.4
61.98840	100.0
70.67338	0.4
70.67788	0.3
70.69939	0.4
71.01411	0.5
72.67052	0.4
72.99281	0.6
78.32520	0.4
86.37470	0.4
87.07691	0.5
89.02472	0.5
93.03442	0.7
96.96001	0.8
101.02407	0.4
107.55377	0.4
118.28272	0.5
135.04538	0.5
149.02480	0.5
150.02861	0.4
159.48177	0.4
161.02426	2.0
164.04697	0.6
173.04593	0.4
180.03781	0.4
186.55692	0.4
191.05626	0.9
209.08232	0.9
223.06143	0.7
224.06488	0.9
323.07874	0.5
351.94171	0.5
353.08746	0.6
383.09503	0.7
446.14221	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	446.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62060	0.2
57.84605	0.2
59.01390	0.4
61.98841	100.0
68.03514	0.2
71.00523	0.2
71.01398	0.5
85.15314	0.2
92.10060	0.3
96.96021	0.3
101.02446	0.4
193.48018	0.3
310.14120	0.3
386.16571	1.1
454.10132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
65.27169	0.8
66.64464	0.7
71.69875	0.8
86.03730	0.8
88.88872	0.8
92.10255	0.9
116.01225	0.8
148.59027	0.8
171.10393	1.0
190.21556	0.9
293.21262	1.5
311.22375	10.5
385.21323	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	445.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39380	0.8
59.01390	100.0
65.03276	0.7
92.65321	1.1
105.34279	0.8
190.01215	1.0
257.36838	0.9
381.62305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83142	0.9
57.08204	0.9
59.01389	1.6
62.42784	0.9
64.35094	0.9
73.33239	0.9
73.42522	0.8
78.95479	0.8
78.95907	7.5
83.04938	1.0
92.10131	1.2
92.66668	1.0
105.80267	0.9
110.98548	6.5
117.03458	1.5
119.05025	6.1
145.02968	16.2
157.08319	1.0
163.04013	1.6
167.01106	2.1
185.02155	1.7
277.21753	100.0
299.22049	1.0
433.28305	1.1
445.23828	7.7
445.33127	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	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
56.04650	0.5
57.03461	2.2
58.00608	2.1
59.01385	100.0
61.98845	3.7
71.01382	29.7
71.01778	1.0
72.99329	1.2
73.02962	1.1
73.72408	0.6
83.01427	0.7
84.18604	0.5
85.02949	6.0
87.00871	0.7
89.02441	39.1
95.01395	2.3
99.00874	0.6
100.27235	0.6
101.02434	16.1
113.02460	12.1
119.03500	15.6
119.05001	0.7
123.08141	0.8
125.02440	0.7
131.03485	1.3
135.08089	0.5
143.03510	2.4
145.02959	0.7
146.03323	0.9
149.04549	1.2
153.09230	4.8
156.26270	0.6
161.04544	4.5
179.05634	16.8
205.12367	6.6
329.97018	0.6
385.18738	11.7
445.16669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66284	1.0
59.01390	100.0
59.57467	1.0
61.98849	1.5
63.43414	1.4
76.57759	1.3
78.95930	2.8
86.60715	1.2
89.04041	1.1
144.56718	1.5
149.00098	10.6
179.04475	1.2
179.08432	1.3
189.10332	1.2
201.73718	1.1
202.76489	1.3
205.16074	9.2
232.68300	1.3
251.63150	1.4
275.38733	1.3
355.16837	28.2
385.17960	15.6
401.30304	2.9
445.29620	7.0
445.34509	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00502	0.8
57.03466	0.9
59.01387	100.0
61.20164	0.8
63.35671	0.8
71.01384	26.6
71.01769	1.0
73.02960	4.3
83.01411	1.1
85.02947	9.7
89.02445	14.7
92.66684	1.1
95.01403	1.6
97.02960	1.4
99.00861	1.6
101.02449	15.3
108.05807	0.9
113.02457	9.5
113.06126	1.0
119.03493	4.1
125.06068	1.4
132.94167	0.9
138.06868	10.3
139.07649	5.3
142.81142	0.9
143.03531	1.0
151.07640	7.3
152.08427	14.3
153.09224	42.0
159.03070	1.0
161.04552	12.0
163.11380	1.0
165.09160	1.1
179.05659	1.0
205.12360	17.8
223.13394	14.1
258.01071	0.9
355.49469	0.9
385.18716	36.0
387.50128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00214	0.3
57.03440	0.4
59.01389	100.0
64.61346	0.4
68.15358	0.3
71.01392	4.9
73.02948	2.3
83.01373	0.7
85.02938	3.3
99.00868	0.8
101.02451	2.7
113.02467	2.5
130.46909	0.4
136.72717	0.3
142.85837	0.4
148.39882	0.4
161.04581	4.3
168.58600	0.4
175.48238	0.3
193.05034	0.3
310.35480	0.4
317.85406	0.4
339.34445	0.4
407.19162	0.6
445.17206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1856
Annotation	Yangambin
Peak:m/z	Relative Intensity
50.70737	6.9
59.01392	100.0
61.01722	7.2
61.98863	7.9
62.12885	8.0
71.01421	12.1
79.15010	8.6
83.25182	6.9
89.02481	8.8
89.70576	7.5
93.03432	14.8
101.02460	37.5
103.34986	7.2
119.05053	19.6
130.95905	8.8
191.27481	7.8
194.72139	8.6
252.14075	8.0
349.24460	9.1
397.13104	8.1
409.20709	75.5
419.47421	9.9
445.18680	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05167	0.5
54.82367	0.5
58.95160	0.6
59.01384	11.6
63.78215	0.6
69.35917	0.5
71.01385	8.8
73.02956	1.0
85.02943	1.6
87.94104	0.6
88.15886	0.5
89.02437	5.2
92.64914	0.7
93.03462	1.6
96.96010	5.6
101.02451	4.1
113.02457	1.1
117.03435	1.2
117.77206	0.9
119.03543	1.1
120.96620	0.6
121.02954	6.6
121.05065	0.7
125.02490	0.9
131.03522	0.7
132.02031	0.7
133.02963	33.7
134.47963	0.6
135.04526	14.6
137.02464	0.7
149.02457	42.6
151.04034	6.5
152.01067	0.9
161.02460	100.0
162.02748	0.8
163.04044	2.6
164.04807	42.7
165.05107	0.7
169.05074	0.9
173.04593	3.0
179.03542	8.2
179.07158	12.0
191.05573	3.7
193.01355	4.7
208.03784	14.6
223.06161	54.9
320.78107	0.8
385.11371	1.6
445.13608	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08015	4.2
56.64915	4.3
58.23006	4.4
59.01394	100.0
62.20633	4.9
71.01412	33.4
73.02958	8.5
76.56738	4.5
85.02980	20.1
89.02457	49.9
90.98631	29.1
91.91275	6.0
93.03458	38.7
96.96023	6.2
99.00933	9.3
101.02468	25.7
113.02511	8.4
114.98578	4.5
115.07702	10.0
120.99668	9.6
121.02989	12.1
129.19695	4.6
137.02469	33.1
181.82898	5.0
190.95943	5.2
191.05557	36.1
194.24367	4.6
233.06497	5.6
278.77707	5.2
293.08804	49.8
305.79660	5.4
329.06531	12.1
445.14597	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1361
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
52.84870	0.3
57.03457	0.3
59.01391	7.1
60.99305	0.4
61.98843	0.3
63.83123	0.2
65.03979	2.9
71.01385	3.6
73.02934	1.3
75.00865	0.4
83.01392	0.3
85.02477	0.2
85.02973	1.9
86.35640	0.3
87.00893	0.4
88.98806	2.6
89.02441	3.5
91.01878	2.3
93.03453	1.3
96.95998	5.3
99.00893	1.2
101.02450	1.8
107.05029	2.8
108.02190	1.9
109.02957	8.4
113.02444	1.1
119.03514	0.7
121.02972	1.1
123.04504	0.3
125.53975	0.3
133.02954	1.1
133.30844	0.3
135.00899	3.5
135.04535	0.4
137.02455	1.2
151.04016	100.0
152.01152	2.5
153.01945	2.4
157.12376	0.4
167.03543	3.9
179.05629	0.3
191.05650	1.8
203.12891	2.0
209.04601	0.4
365.18198	1.6
397.83176	0.3
405.67984	0.3
409.20804	1.4
445.13376	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	444.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57775	0.3
57.03468	0.4
59.01387	2.7
59.44276	0.3
61.98838	100.0
65.42183	0.3
71.01383	1.3
73.02949	0.3
73.39384	0.3
74.11796	0.3
75.88127	0.3
78.31604	0.3
85.02977	0.8
87.00894	3.0
89.02444	0.3
90.24237	0.3
92.10465	0.3
92.12909	0.3
95.21993	0.3
101.02467	0.7
102.02770	0.4
108.73429	0.3
117.03477	1.8
118.03790	1.5
119.05041	1.4
120.05328	0.4
145.02969	7.3
145.49821	0.3
146.03307	4.8
149.93057	0.4
161.02426	0.4
163.04042	1.2
164.04245	0.5
191.05554	0.6
196.12151	0.4
221.63980	0.3
224.95595	0.3
318.37753	0.3
384.18338	0.4
444.16098	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	444.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33669	0.2
50.56781	0.2
59.01378	2.5
60.95795	0.3
61.77416	0.3
61.98833	100.0
69.14718	0.3
71.01374	1.7
71.32183	0.3
73.02940	0.3
73.60691	0.2
85.02954	0.7
89.02435	0.7
101.02454	1.3
107.05019	1.6
108.05399	0.3
113.02439	0.4
117.03476	0.7
118.03764	0.4
119.04974	0.5
120.05370	0.3
123.04468	0.3
138.82225	0.4
145.02942	4.1
146.03259	3.2
163.04005	0.6
164.04356	0.4
191.05621	1.6
201.60828	0.4
236.16667	0.3
333.23901	0.3
383.18301	0.4
384.18463	0.6
444.16666	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	445.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38951	0.3
57.06594	0.3
57.85239	0.4
59.01385	3.4
70.06979	0.3
71.01386	4.6
73.02969	0.8
78.19189	0.3
80.38189	0.3
84.63899	0.3
85.02962	1.5
86.04057	0.3
86.32290	0.3
87.00892	0.8
89.02448	0.6
92.09995	0.5
93.03458	11.7
93.04015	0.5
95.01344	0.4
101.02451	2.8
103.29613	0.3
106.00520	0.3
108.80750	0.3
113.02494	0.7
117.03521	0.5
119.05030	100.0
120.05286	0.4
121.02934	0.5
124.07724	0.4
136.01686	1.6
137.01431	0.8
137.02460	17.6
145.02940	3.0
146.06259	0.4
148.04156	0.4
151.04010	0.8
163.04027	31.5
179.03520	1.4
217.07530	1.7
249.06367	1.7
281.06720	17.9
289.33139	0.4
341.15070	4.2
409.21509	0.5
445.11484	21.5
445.17679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31707	0.6
56.90343	0.6
57.03462	3.9
59.01394	1.6
59.74693	0.6
60.99321	4.0
61.98854	1.0
68.30264	0.5
69.03468	0.9
69.84905	0.7
71.01428	0.7
71.05032	1.1
80.02699	1.5
81.03463	0.9
83.05027	6.6
106.67829	0.6
109.06586	1.2
111.08168	25.6
119.74911	0.7
124.71326	0.8
137.09732	3.7
142.44595	0.6
149.09720	1.5
173.08171	7.0
219.17422	0.7
269.21054	0.8
287.22318	10.6
331.00656	0.7
361.25397	0.9
377.28592	4.2
391.30219	3.0
399.32779	7.7
407.33255	100.0
408.33444	1.3
409.34787	12.7
413.34314	0.7
423.32587	1.2
425.34543	1.4
427.35919	14.0
443.30273	23.5
443.35672	1.7
453.33850	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	443.3171
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
52.37561	0.5
53.26677	0.5
59.01376	0.9
61.98843	3.0
63.47863	0.5
75.35989	0.5
83.05014	0.9
92.34921	0.6
117.72563	0.6
130.60899	0.6
136.00519	0.6
191.14418	0.6
197.51408	0.6
369.28043	2.9
379.30096	4.2
381.31799	2.2
383.29752	0.7
397.31323	1.2
399.28262	0.8
399.32877	17.0
425.31003	1.0
443.31763	100.0
444.31989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.317
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
62.95252	1.7
65.43304	2.3
71.05029	15.0
92.10091	4.6
115.07722	2.1
119.78446	2.7
126.37801	2.1
135.14978	2.3
146.13953	2.1
159.07889	2.0
189.38203	2.0
234.96245	2.4
353.56250	2.1
379.30273	10.5
399.32687	21.7
425.30704	46.2
443.31799	100.0
444.91101	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	443.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97834	0.6
51.63268	0.6
54.08167	0.6
57.03413	0.7
63.08018	0.7
68.95485	0.7
70.88757	0.8
72.93592	0.7
77.48978	0.6
83.41547	0.7
96.37852	0.6
103.01000	0.7
107.05005	0.8
117.53447	0.7
123.04548	3.4
125.06079	7.5
138.03253	1.5
151.04054	9.9
165.12756	0.7
166.02689	2.9
177.01912	1.5
179.03506	1.3
180.04279	4.7
191.10770	1.0
203.10997	0.9
207.06664	1.3
207.10147	1.7
213.77142	0.8
217.08681	2.9
221.08173	5.3
222.09015	4.1
233.08131	1.5
235.09782	95.0
236.10516	12.4
247.09804	10.9
249.11366	14.1
261.11325	1.7
373.20499	1.0
374.21057	1.5
399.28696	1.1
443.28122	100.0
444.27963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3175
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
51.82729	3.0
59.01409	6.8
64.14191	2.8
65.68367	2.9
76.58442	3.5
87.29623	3.0
150.61874	3.2
163.29982	3.1
166.52403	3.0
183.54507	3.4
198.83134	3.2
202.51338	3.3
364.26984	3.8
395.29559	6.4
397.31079	31.3
443.31851	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	443.2808
Annotation	Foetidinol
Peak:m/z	Relative Intensity
52.09874	1.6
57.03455	3.5
83.16007	1.8
86.90063	1.8
125.06068	8.4
166.02689	2.2
221.08153	16.8
222.09032	16.8
223.09666	2.5
223.33583	1.6
233.11758	2.3
235.09734	3.1
247.09695	13.5
261.11356	2.7
271.16556	1.9
273.18567	3.3
314.58777	2.3
317.17621	53.5
331.15607	3.9
341.17712	17.1
443.28116	100.0
445.63239	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	443.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94438	0.9
66.51059	1.0
77.85004	1.0
113.40388	1.1
123.04519	1.2
125.06096	7.1
151.04007	12.8
169.08922	1.3
179.03548	2.5
180.04283	10.6
207.10176	1.3
213.40079	1.0
217.08778	2.5
221.08209	7.5
222.08897	4.0
235.09790	100.0
236.10597	20.9
247.09726	5.6
249.11354	8.9
312.61621	1.2
390.33875	1.4
443.28119	97.5
444.28366	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	443.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99078	0.8
79.00928	0.5
79.84083	0.5
106.58839	0.5
107.41099	0.7
124.93092	0.6
159.08469	6.1
161.06387	1.3
217.07355	0.9
267.13120	0.6
277.07462	3.6
343.12308	0.6
345.13879	0.9
357.13846	3.4
359.15436	100.0
360.15656	3.0
377.16483	0.9
425.20230	0.9
427.21698	52.6
443.24841	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	443.281
Annotation	Foetidinol
Peak:m/z	Relative Intensity
51.12038	0.7
53.36967	0.8
69.69553	0.6
77.58575	0.8
92.10674	0.9
123.04568	0.9
125.06104	3.9
151.04022	3.1
164.04755	0.9
166.02725	5.0
180.04237	1.0
191.03496	1.7
192.04300	1.2
215.34146	0.8
217.08617	1.3
221.08179	1.8
222.09026	10.2
233.08171	14.1
235.09767	49.5
236.10556	3.5
247.09743	11.9
248.10570	9.2
261.11383	4.3
303.16046	20.1
304.16684	1.0
317.17633	11.8
331.15472	1.3
359.18552	0.8
373.20398	0.8
374.20966	7.8
399.29144	7.4
443.28146	100.0
443.35178	10.5
444.28683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81343	0.9
63.32408	0.8
87.80512	0.8
88.30624	1.0
91.00487	1.0
121.48757	1.1
123.04556	1.6
125.06079	6.9
151.04030	11.0
177.01872	2.1
179.03487	4.5
180.04353	11.5
207.10291	1.2
217.08673	1.8
221.08221	4.1
222.09070	1.6
235.09795	100.0
236.10539	22.6
247.09709	5.9
249.11365	8.4
258.41214	1.0
266.13324	1.1
303.04575	1.0
443.28110	88.5
444.28928	1.7
449.81705	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	443.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
57.03448	1.1
59.01384	26.0
62.95826	0.6
69.03487	0.8
70.90108	0.7
71.01381	32.8
73.02950	16.7
77.11658	0.6
83.01384	6.7
84.48769	0.8
85.02953	17.1
87.00903	2.9
89.02446	17.9
95.01396	1.5
97.02937	1.7
99.00882	10.0
99.04540	0.7
101.01786	1.5
101.02448	38.6
113.02447	14.3
115.04025	2.9
119.03503	1.7
122.57372	0.7
125.02454	1.7
131.03470	1.2
143.03564	1.6
149.04565	1.7
151.45366	0.7
153.37866	0.7
158.67078	0.7
159.03117	2.4
161.04572	15.9
191.05664	0.9
197.84911	0.7
233.06660	2.6
251.11397	26.6
261.48935	0.7
315.08591	0.8
383.15652	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	443.1929
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
52.67176	0.4
53.19416	0.4
53.97143	0.4
54.61546	0.4
54.82353	0.5
55.01892	4.5
57.03469	2.4
59.01389	54.3
60.99321	2.3
68.52225	0.6
70.99066	0.6
71.01385	29.2
72.99317	2.3
73.02960	5.1
83.01395	4.5
84.32546	0.6
85.02959	13.5
87.00887	1.3
88.98809	8.5
88.99294	0.8
89.02444	19.5
91.60032	0.5
91.89031	0.5
93.03450	0.9
95.01397	3.4
96.96004	0.7
99.00919	3.0
101.02453	17.8
111.04538	1.2
113.02473	9.6
119.03500	4.8
121.06577	0.6
123.08244	0.6
135.04550	4.4
143.03543	0.6
171.11781	0.7
173.04607	5.2
179.03487	3.5
189.12866	2.3
191.05669	4.1
252.78270	0.6
298.23108	0.7
353.08841	3.2
443.19324	100.0
458.81851	0.6
463.27774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82405	5.6
57.66943	4.5
59.34097	5.5
61.93168	5.8
84.00909	100.0
84.01353	7.2
92.10125	21.8
223.69612	7.0
227.17407	7.1
462.83289	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	443.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
60.99310	17.5
63.62938	0.6
64.21021	0.5
85.02962	5.3
87.00883	2.2
88.98804	100.0
93.03463	3.3
96.96029	3.1
97.24937	0.5
109.02976	0.8
117.64927	0.5
127.04013	0.8
133.02971	1.2
135.04532	1.1
161.02448	1.1
165.77464	0.6
165.85249	0.6
173.04562	0.8
191.05641	86.8
240.77090	0.6
248.40372	0.5
287.23621	0.6
320.97278	0.6
353.08963	9.4
443.12503	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53856	0.3
57.03452	0.4
59.01112	0.4
59.01384	6.7
61.98821	0.8
70.57632	0.3
71.01382	4.2
73.02949	0.7
83.01414	0.5
85.02961	3.0
85.77870	0.4
87.00873	0.8
89.02445	3.3
89.05402	0.3
89.64734	0.3
92.66459	0.4
93.03410	0.4
96.96008	0.8
101.02463	3.6
105.01939	0.7
113.02475	1.3
117.03463	27.1
119.03604	0.4
119.05023	13.9
129.26813	0.4
133.06558	0.5
134.03738	2.2
134.09003	0.3
135.06641	1.7
143.85526	0.4
145.02962	100.0
146.03357	1.2
161.02527	0.7
161.06070	1.9
163.04013	17.6
177.05585	0.7
191.05600	1.5
193.04993	0.5
205.05052	1.9
235.06151	0.5
265.07193	1.6
267.07220	1.6
383.18433	0.5
443.15753	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01382	7.4
59.11385	0.2
61.98833	1.0
69.82778	0.2
71.01374	3.8
73.02949	0.6
85.02509	0.2
85.02972	1.7
87.00851	0.4
89.02445	2.9
92.10818	0.5
93.03466	0.4
101.02428	2.2
113.02429	1.8
117.03464	24.1
119.03535	1.2
119.05016	15.8
133.06558	0.4
134.03706	1.6
135.06602	1.9
145.02959	100.0
146.03311	1.6
147.04492	0.5
149.06061	0.5
153.48122	0.2
161.04823	0.4
161.06108	2.6
163.04013	19.3
176.04691	0.6
177.05565	1.6
191.05588	1.1
193.05119	0.4
205.05119	2.3
235.06075	0.5
257.34924	0.3
265.07242	1.6
267.07285	1.3
342.47141	0.3
443.15689	43.7
444.16122	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	441.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10639	0.4
51.41792	0.4
53.91640	0.4
55.72977	0.3
62.05547	0.4
69.51790	0.4
82.67647	0.4
83.40621	0.4
90.73592	0.4
90.88943	0.4
92.72656	0.4
101.43266	0.4
188.77583	0.4
197.61380	0.4
319.37573	0.4
441.33844	100.0
442.34293	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	441.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39787	0.2
111.27794	0.3
130.91383	0.3
187.81212	0.3
203.81741	0.3
244.93578	0.3
316.38190	0.3
393.31842	0.5
441.33813	100.0
442.34094	2.4
451.25500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46139	0.2
57.21770	0.2
59.01382	2.3
59.37404	0.2
60.01712	0.2
61.98835	100.0
71.01383	2.6
72.01710	0.3
73.02940	0.6
77.53274	0.3
85.02959	1.0
86.11284	0.3
87.97001	0.2
89.02444	2.0
90.02792	0.3
92.10104	0.6
101.02450	1.2
102.02746	0.2
113.02430	0.5
125.47350	0.2
131.91658	0.3
133.03006	0.2
149.04541	0.3
161.04521	0.3
191.05652	4.2
249.13560	0.3
250.13705	0.4
308.97147	0.3
381.17343	1.1
382.17712	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71756	1.1
54.52607	1.0
55.01898	2.5
57.03455	2.8
59.01389	53.2
69.03463	1.4
71.01389	44.6
71.05033	18.3
72.99332	1.9
73.02954	23.8
73.14730	1.1
73.49508	1.2
83.01418	3.0
85.02972	11.8
89.02452	66.7
89.03012	2.2
91.65778	1.2
92.99697	1.1
95.01403	1.3
96.96038	9.9
97.02967	1.4
98.95622	4.8
99.00878	29.0
99.04540	8.5
101.02452	33.2
113.02494	8.8
115.04045	1.6
116.92858	1.8
119.03522	2.2
125.02442	2.7
129.05577	3.0
131.03484	8.8
147.06667	28.3
147.97446	1.4
149.04591	18.6
161.04564	6.1
168.10727	1.2
191.05592	9.6
191.09415	1.2
193.17207	1.2
194.91353	1.3
213.24127	1.2
220.70050	1.5
221.06880	1.2
232.17348	1.4
233.06795	2.0
235.06282	1.4
249.09879	1.5
381.14139	4.8
441.16248	100.0
442.16562	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	441.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18188	1.7
58.04124	1.6
59.01389	2.6
62.54689	2.2
62.55059	1.7
63.44756	2.3
71.13385	1.8
80.40172	2.1
94.85277	1.6
97.04755	1.9
99.08186	3.8
127.07684	8.2
145.08714	24.2
155.10826	7.4
158.41156	1.9
160.58873	1.8
171.10341	13.4
236.85760	2.0
295.22775	14.8
311.22189	2.0
313.23904	100.0
393.34784	2.2
441.32327	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3379
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
58.69604	1.0
59.01394	4.7
61.98838	1.2
92.10049	1.2
115.09447	1.2
162.85942	1.0
168.52335	1.0
175.11284	1.1
177.12865	13.0
215.43681	1.0
300.24408	1.2
332.98038	1.0
383.04199	1.1
441.33850	100.0
442.33817	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	439.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67800	4.3
51.92020	3.4
54.43201	3.8
58.71597	3.8
86.60403	4.1
90.94864	3.5
94.64381	4.4
110.23297	4.8
110.37627	3.9
145.10577	100.0
199.84465	4.7
450.98886	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	439.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00319	5.7
76.57690	5.2
86.29580	5.7
92.10752	8.0
92.88885	6.3
100.97237	5.1
103.64216	6.1
144.94757	6.0
320.36295	6.5
357.03842	6.2
391.30075	11.4
409.30914	20.3
411.32788	9.9
427.32184	7.9
436.44022	6.1
439.32175	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	441.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89334	3.7
54.42992	3.7
54.63861	3.8
55.52742	3.8
59.01378	51.1
68.26630	4.0
69.13370	4.5
71.01413	10.7
73.02974	4.8
76.58075	4.2
85.02972	27.6
85.65991	4.8
89.02459	20.7
96.41701	4.9
96.96008	9.5
101.02455	8.1
103.04015	50.5
113.02496	6.4
133.02951	6.2
134.03757	71.2
135.04527	8.0
149.06183	5.2
160.01669	35.2
161.02420	6.2
173.04492	4.4
175.04019	41.1
176.04776	21.8
191.05595	5.8
191.07159	16.5
193.05057	33.0
220.03680	6.6
235.06137	31.7
265.07010	7.2
265.09360	100.0
281.92908	5.0
301.92807	5.6
364.47278	4.6
441.14087	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
58.00621	1.4
59.01383	64.2
71.01379	39.8
73.02946	15.6
83.01378	4.0
85.02941	11.5
85.52860	0.9
87.00897	1.1
89.02438	62.2
92.10113	2.0
95.01378	2.0
96.95972	1.1
99.00876	10.4
101.02434	31.5
101.57054	1.1
106.36086	0.9
113.02457	15.9
117.53545	0.8
119.03502	14.1
120.99662	4.3
125.02419	1.9
125.63223	1.0
131.03499	5.0
143.03542	1.2
145.02994	1.4
149.04564	12.2
150.16078	1.1
161.04494	3.6
171.17918	1.1
179.05600	2.2
191.05595	5.3
207.91418	1.2
251.07642	1.2
261.13412	8.5
299.43362	1.1
393.17725	100.0
403.19836	1.2
405.10797	0.9
439.20020	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	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98853	1.3
53.25994	1.2
55.01909	7.4
57.03468	3.9
59.01393	55.2
63.52088	1.4
64.67629	1.5
69.03499	1.5
71.01389	57.6
71.01765	2.1
72.99328	1.7
73.02946	30.8
83.01416	12.1
85.02959	40.6
87.00913	2.9
89.02457	15.3
93.03427	1.7
95.01389	4.1
96.96033	3.4
97.02950	1.6
99.00893	12.6
99.08234	1.9
100.16733	1.5
101.02445	55.6
107.87781	1.8
111.00945	2.4
113.02449	16.8
119.05080	3.1
133.02873	1.5
145.03020	7.7
145.08737	7.7
159.03041	4.1
161.04562	12.4
163.04080	3.4
164.75600	1.7
179.22939	1.6
191.05693	14.6
234.05342	1.7
245.15282	2.5
249.82536	1.8
293.08939	7.8
299.27798	1.7
307.17645	56.9
351.18875	2.5
439.22046	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	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98853	1.3
53.25994	1.2
55.01909	7.4
57.03468	3.9
59.01393	55.2
63.52088	1.4
64.67629	1.5
69.03499	1.5
71.01389	57.6
71.01765	2.1
72.99328	1.7
73.02946	30.8
83.01416	12.1
85.02959	40.6
87.00913	2.9
89.02457	15.3
93.03427	1.7
95.01389	4.1
96.96033	3.4
97.02950	1.6
99.00893	12.6
99.08234	1.9
100.16733	1.5
101.02445	55.6
107.87781	1.8
111.00945	2.4
113.02449	16.8
119.05080	3.1
133.02873	1.5
145.03020	7.7
145.08737	7.7
159.03041	4.1
161.04562	12.4
163.04080	3.4
164.75600	1.7
179.22939	1.6
191.05693	14.6
234.05342	1.7
245.15282	2.5
249.82536	1.8
293.08939	7.8
299.27798	1.7
307.17645	56.9
351.18875	2.5
439.22046	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	439.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51807	0.9
55.01895	4.1
57.03454	1.4
59.01386	53.4
60.87681	1.0
65.48056	1.1
69.03428	0.9
71.01383	42.6
72.99323	1.5
73.02946	22.4
73.03307	1.4
75.00877	1.9
83.00965	1.1
83.01365	8.0
85.02946	21.6
85.03393	1.1
87.00896	2.4
89.02441	21.2
90.64842	0.9
92.64922	1.0
93.03465	2.4
95.01382	2.1
96.96001	2.4
97.02937	2.1
99.00886	9.6
101.02448	50.8
101.03093	1.9
104.89016	0.9
113.02461	20.3
119.03548	1.9
121.02994	2.1
122.03735	11.3
122.24120	1.0
125.02434	1.3
129.01956	1.2
131.03528	6.0
136.01662	1.5
137.02443	8.8
137.06041	1.2
143.03532	1.3
145.08705	2.5
149.02460	36.8
149.04517	2.4
150.03233	94.8
151.00345	1.1
159.03014	4.1
161.02554	1.3
161.04578	16.0
164.04802	5.8
165.01949	46.7
165.03406	1.6
165.05577	65.3
180.04286	41.0
191.05730	1.9
195.06647	89.1
243.08702	1.9
247.11884	42.9
258.59723	1.1
281.21146	1.1
301.07285	2.3
301.10739	1.2
312.96817	1.1
316.09412	1.9
331.11850	9.7
359.41721	1.1
379.16141	100.0
391.14017	14.1
439.16766	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	439.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84888	0.8
55.01895	2.2
57.03482	1.1
58.00619	1.0
59.01384	43.4
69.03464	1.2
71.01382	38.1
71.32240	0.8
72.99300	1.6
73.02946	21.7
73.03297	1.3
75.00896	0.9
83.01414	6.4
85.02958	18.9
85.03460	1.0
86.52857	0.9
87.00894	1.9
89.02438	15.1
93.03474	2.1
95.01396	2.1
96.96033	5.2
97.02962	1.3
99.00883	9.1
101.02442	37.2
113.02456	17.7
119.03529	1.1
121.02969	6.2
122.03741	11.2
125.02454	7.1
129.01990	1.0
131.03503	1.5
137.02458	5.9
145.08737	6.2
148.70419	1.1
149.02460	33.6
149.04495	3.2
150.03239	81.4
151.03987	1.1
159.03043	2.3
161.04555	16.3
164.04799	8.6
165.01936	41.4
165.05574	71.2
165.80818	1.1
180.04303	34.3
180.05762	1.9
181.05046	1.2
183.06670	0.9
189.86301	1.2
191.05618	6.7
195.06653	78.1
235.76129	0.9
242.32910	1.0
243.08806	3.6
247.11903	40.1
293.08704	1.5
301.07336	2.3
316.09644	2.2
331.11862	9.3
379.16150	100.0
391.14001	13.3
425.88596	1.0
439.17178	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	439.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84888	0.8
55.01895	2.2
57.03482	1.1
58.00619	1.0
59.01384	43.4
69.03464	1.2
71.01382	38.1
71.32240	0.8
72.99300	1.6
73.02946	21.7
73.03297	1.3
75.00896	0.9
83.01414	6.4
85.02958	18.9
85.03460	1.0
86.52857	0.9
87.00894	1.9
89.02438	15.1
93.03474	2.1
95.01396	2.1
96.96033	5.2
97.02962	1.3
99.00883	9.1
101.02442	37.2
113.02456	17.7
119.03529	1.1
121.02969	6.2
122.03741	11.2
125.02454	7.1
129.01990	1.0
131.03503	1.5
137.02458	5.9
145.08737	6.2
148.70419	1.1
149.02460	33.6
149.04495	3.2
150.03239	81.4
151.03987	1.1
159.03043	2.3
161.04555	16.3
164.04799	8.6
165.01936	41.4
165.05574	71.2
165.80818	1.1
180.04303	34.3
180.05762	1.9
181.05046	1.2
183.06670	0.9
189.86301	1.2
191.05618	6.7
195.06653	78.1
235.76129	0.9
242.32910	1.0
243.08806	3.6
247.11903	40.1
293.08704	1.5
301.07336	2.3
316.09644	2.2
331.11862	9.3
379.16150	100.0
391.14001	13.3
425.88596	1.0
439.17178	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	439.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.01389	2.8
66.53381	0.6
71.01389	3.0
79.95743	57.5
81.68945	0.6
83.01415	0.7
85.02940	0.7
89.02460	0.9
91.55460	0.6
95.95238	17.8
96.96016	100.0
101.02465	3.5
101.43482	0.7
110.97578	5.4
121.08072	0.7
123.04484	0.8
137.02434	3.6
149.99922	1.6
160.05324	1.2
177.05632	1.1
216.74530	0.7
252.28322	0.8
259.02945	1.5
277.16702	1.1
329.14114	1.2
424.08411	3.5
439.10760	73.5
439.21063	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	439.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37753	0.3
54.82870	0.3
55.47973	0.3
59.01390	6.2
61.98846	0.4
63.49456	0.3
71.01399	1.5
77.59585	0.3
81.03474	0.3
85.02954	0.7
89.03996	2.8
90.18050	0.3
93.03439	0.4
96.96043	0.5
101.02464	0.4
102.11052	0.4
105.03464	5.1
120.99709	0.4
132.02205	0.6
133.02966	14.2
134.03740	6.0
136.01659	1.7
145.02945	0.6
149.02466	0.8
149.06126	2.2
151.04027	1.5
160.01680	3.0
161.02351	0.5
164.21545	0.4
165.47536	0.5
167.03079	0.4
175.04044	2.0
176.04428	0.6
177.01950	100.0
178.02304	0.6
191.05661	0.8
193.05083	1.8
206.14189	0.3
213.05753	0.4
229.43692	0.4
235.16544	0.4
241.05054	2.0
242.05315	0.4
256.07458	0.8
439.12589	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	439.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00464	0.4
52.69834	0.3
69.05898	0.4
78.95905	51.9
79.95742	1.6
83.99447	0.4
84.54398	0.3
92.65284	0.5
96.96014	80.6
96.96964	100.0
113.51741	0.4
439.08630	2.3
451.41772	0.4
456.34030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68387	0.2
55.01895	0.4
57.03462	0.9
58.99616	0.9
59.01388	6.7
59.10904	0.2
60.54468	0.2
61.98842	0.2
67.01906	0.4
69.03466	0.4
71.01382	7.1
72.99310	0.3
73.02945	3.1
75.00871	0.2
79.17243	0.2
81.03469	0.4
82.95409	0.4
83.01398	1.3
83.05025	0.4
85.02958	16.5
87.00883	4.0
89.02444	2.4
93.03455	4.8
93.04003	0.2
95.01385	0.8
96.96027	0.4
99.00884	1.2
99.04538	0.7
101.02448	6.2
102.98595	5.8
107.29499	0.2
109.02319	0.2
109.02976	1.0
111.00894	0.3
111.04542	1.8
113.02448	2.1
115.04028	0.3
119.03532	0.3
119.05051	0.9
120.99659	0.5
125.02466	0.3
127.04019	3.4
131.05078	0.2
137.02426	0.5
143.03564	0.3
145.02980	0.4
146.03755	0.5
147.04533	3.0
153.03839	0.2
157.02994	0.3
158.03726	0.5
159.03120	0.3
159.04559	1.3
161.02457	1.1
161.04568	1.4
163.04059	1.6
164.65695	0.2
171.03017	0.9
173.02473	0.3
173.04578	2.0
174.03232	5.1
175.04018	8.4
189.01912	1.8
191.05641	100.0
192.06003	0.4
201.01999	0.3
203.03511	0.4
214.99907	0.5
221.04492	0.3
231.98413	0.2
247.02458	1.6
249.06325	0.3
265.03555	0.4
283.04898	4.6
307.17661	4.3
389.05200	0.5
421.07999	0.8
439.08789	1.1
439.21933	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	437.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18453	0.7
59.01393	1.4
61.78982	0.8
61.98836	100.0
84.31828	0.8
97.02982	0.9
161.50171	0.8
186.59822	0.8
201.90327	0.9
285.37238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99691	0.3
53.20276	0.2
78.95914	20.5
79.95748	1.3
96.96017	100.0
96.96964	42.6
172.72298	0.3
230.52351	0.3
295.04343	0.3
302.65567	0.3
439.08511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53044	0.2
59.18169	0.3
79.95740	6.7
92.10837	0.4
96.96009	100.0
110.97601	0.4
121.02950	0.4
137.02452	0.5
151.03995	0.5
175.03954	0.4
213.36963	0.4
269.08136	0.6
274.40332	0.3
297.07803	2.4
312.10114	1.5
327.12527	0.4
423.99097	0.3
437.09189	26.7
438.09161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.4
59.26243	0.2
78.95903	7.4
78.96322	0.3
79.95732	1.4
85.06590	0.4
86.35413	0.2
96.96011	100.0
96.96922	13.0
126.83947	0.2
157.26379	0.2
168.48993	0.2
171.20358	0.2
173.04509	0.5
206.57457	0.2
298.45959	0.2
325.71423	0.3
407.06366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63088	1.1
54.52223	1.2
55.01900	2.4
57.03453	2.0
57.04775	1.0
58.00598	1.3
58.79882	1.1
59.01386	77.2
71.01385	58.4
72.99311	1.6
73.02951	21.4
83.01395	7.7
85.02969	13.5
89.02444	61.4
95.01392	2.0
96.46146	1.7
96.96024	2.5
97.02984	3.1
98.26474	1.3
99.00882	22.1
99.04510	1.6
101.02446	38.9
110.33447	1.4
113.02444	15.3
115.04002	3.6
116.92876	2.0
119.03485	11.1
125.02484	3.4
125.06088	15.0
131.03487	7.2
143.03516	3.3
149.04533	10.5
161.04581	10.7
179.05562	2.4
191.05675	2.7
201.72107	1.4
233.06644	5.7
265.04910	1.4
305.12488	32.1
312.52731	1.4
423.11606	1.5
437.16714	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	437.2185
Annotation	Incaspitolide A
Peak:m/z	Relative Intensity
50.57557	0.7
54.12626	0.7
57.03458	1.7
59.01390	4.0
71.05038	3.8
71.44671	0.7
72.31340	0.7
83.05046	0.8
92.10733	1.9
93.03463	1.5
95.05029	1.1
96.96023	2.1
97.02948	0.9
97.06615	1.5
107.05039	3.6
107.08683	1.9
108.02209	0.9
109.06606	3.4
111.04594	1.5
119.08627	1.2
121.06594	1.8
121.17156	0.9
123.04525	1.4
123.08154	11.0
124.05290	2.1
125.06110	7.0
125.09692	2.0
127.07620	4.4
135.08162	2.0
137.06099	1.7
137.09747	5.0
137.99579	0.7
139.07663	3.2
139.11278	1.3
145.06627	1.4
147.08206	2.0
147.68054	0.9
161.09717	2.2
173.09764	1.1
175.04176	0.9
179.08430	0.9
179.10776	1.6
187.78139	0.9
191.10779	2.1
196.14972	0.8
197.11850	3.3
205.15891	1.0
209.11900	1.8
259.09830	1.0
259.17017	1.8
261.18579	1.3
275.20273	1.9
277.18057	11.4
279.19815	1.4
295.20795	1.6
297.18625	6.2
313.21875	6.9
315.19516	6.0
331.22818	3.7
333.20837	1.5
349.23849	6.4
393.22910	37.5
437.21899	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	435.2521
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
51.14006	0.4
78.95899	61.4
79.51543	0.7
96.12775	0.6
96.96955	9.0
97.02956	0.8
126.81254	0.6
136.16960	0.6
150.98059	1.5
152.99596	100.0
163.11314	2.8
171.00652	3.2
177.09276	1.0
281.24619	0.8
353.21365	2.9
435.25143	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03503	0.8
59.01382	25.1
65.39280	0.8
69.03468	2.2
71.01379	23.9
73.02955	4.2
77.35779	1.0
79.76707	0.9
80.10214	0.9
81.03470	1.0
82.95439	1.1
83.01394	1.9
85.02952	3.7
87.00786	0.9
87.04524	1.4
89.02440	26.4
90.01495	0.9
91.52904	1.0
93.03516	0.8
96.95057	1.2
96.96007	40.0
96.96600	1.6
97.02958	2.0
97.06585	100.0
99.00883	6.5
101.02445	8.8
109.95538	1.0
110.66068	1.1
113.02464	1.5
115.04047	2.4
125.02441	12.6
131.03497	1.0
134.89476	1.1
135.04515	1.7
141.05595	22.7
149.04526	4.1
161.02419	1.2
191.05605	4.8
227.03821	1.0
233.06599	8.7
293.08859	21.2
315.19128	1.1
323.28000	1.0
336.13379	1.2
375.06891	3.8
435.14828	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	435.2242
Annotation	HC-toxin
Peak:m/z	Relative Intensity
53.74045	1.0
55.01896	5.2
57.03455	2.4
58.95369	1.3
59.01389	35.8
71.01379	27.8
73.02959	11.3
77.26500	1.3
83.01382	5.4
85.02959	68.0
86.00113	1.4
87.00889	2.4
89.02456	8.7
90.17718	1.3
93.03466	25.1
95.01389	2.5
97.02982	1.6
99.00901	3.1
101.02447	25.6
104.63409	1.3
104.68640	1.2
109.02962	2.5
111.00903	2.3
111.58822	1.3
113.02445	9.9
117.91833	1.2
119.03513	1.6
123.00923	2.1
124.01677	1.6
124.56205	1.4
135.04570	2.2
137.02444	34.1
138.30194	1.3
139.04056	2.7
150.03255	2.9
151.00388	17.1
151.04047	1.2
152.01064	1.9
161.02531	1.7
161.04573	2.6
165.05571	2.8
166.02728	37.5
173.04604	1.9
175.04041	5.1
177.01962	1.8
181.05090	39.4
187.03951	1.6
191.03732	1.4
191.05687	6.7
205.05106	3.1
312.06619	1.4
327.08804	2.5
349.18698	4.7
357.13477	8.9
387.10736	7.5
387.15067	9.3
399.12936	1.7
402.13242	1.9
415.44788	1.4
417.15665	11.7
417.20795	2.6
435.22449	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	434.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48960	0.2
54.82960	0.3
59.01390	10.8
61.98859	0.5
64.79312	0.3
65.14865	0.2
96.96004	0.3
99.92587	0.4
101.06088	0.6
103.01878	0.2
105.81316	0.3
124.07651	0.3
125.87322	0.4
140.47769	0.2
144.71259	0.3
156.81564	0.4
178.49146	0.3
232.10933	7.2
272.17834	0.3
289.17950	2.0
290.18799	3.1
316.16721	1.7
318.18756	0.3
358.21539	0.5
365.00137	0.5
374.24536	100.0
375.24799	2.3
434.06995	0.3
452.50208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30719	0.2
59.01392	0.5
69.26550	0.2
71.01447	0.2
79.95751	4.7
93.03489	0.3
96.96020	100.0
110.97554	0.3
137.02448	1.0
153.22943	0.2
168.56306	0.2
169.25797	0.2
173.04420	0.2
175.03958	1.0
176.04771	0.2
188.04790	0.9
212.13017	0.2
222.05394	0.3
267.06665	1.2
295.06113	2.8
307.06311	0.3
310.08527	2.1
311.09286	0.3
325.10962	1.1
332.22687	0.2
335.73608	0.2
351.83337	0.2
435.07648	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66342	0.6
54.60648	0.6
59.01387	100.0
71.01379	7.6
73.02969	0.9
85.02966	1.6
87.00880	1.3
89.02446	9.2
96.96019	12.8
96.96946	0.7
101.02458	3.7
107.71468	0.7
113.02428	2.5
117.03459	0.7
119.03529	1.7
133.05132	0.7
137.02435	0.9
145.03012	5.4
161.02492	7.0
162.03249	7.3
165.01939	14.2
177.05562	3.0
179.05583	3.4
180.04323	17.1
195.06667	12.8
213.07738	10.1
293.55350	0.8
324.84009	0.7
356.48874	0.7
357.12003	1.4
375.12766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82729	0.5
59.01385	100.0
59.77340	0.7
69.48814	0.6
71.01384	6.8
72.99322	0.9
73.02962	1.1
74.84663	0.6
83.01386	0.7
85.02982	2.5
85.26704	0.7
87.00900	0.9
89.02453	9.4
96.96009	14.2
96.96970	0.7
101.02457	3.9
103.04005	1.0
103.91992	0.6
113.02464	2.8
117.03484	0.8
119.03526	4.0
121.02999	0.7
137.02502	1.3
145.02979	4.2
146.03778	1.4
147.04602	0.9
152.39937	0.6
161.02446	5.6
161.04578	0.9
162.03235	9.2
165.01939	16.5
177.05606	2.9
179.05595	2.4
180.04309	17.7
195.06599	12.7
213.07738	9.0
357.11987	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	434.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91868	0.6
57.91114	0.7
59.01381	1.6
61.98835	100.0
72.54787	0.6
79.14993	0.6
101.97186	0.8
104.44007	0.8
107.78816	0.8
109.02992	0.8
119.04965	1.2
120.45235	0.9
139.00627	0.8
144.22177	0.7
146.03796	1.1
153.97136	0.7
159.67195	0.8
161.34419	0.8
172.78598	0.8
175.04013	1.4
241.39508	0.9
262.09256	0.9
268.07358	4.1
283.09741	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	434.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23278	0.8
54.72708	0.8
55.01902	1.0
57.03460	1.9
59.01379	14.2
59.01600	0.8
61.98835	100.0
65.64719	0.9
67.01946	0.9
67.27789	0.9
68.99832	1.2
71.01376	11.0
71.01648	0.7
72.99318	2.0
73.02964	1.4
75.00869	11.3
85.02948	16.8
87.00883	4.6
89.02464	4.5
90.23544	0.8
93.03451	2.1
95.01390	4.2
99.00875	6.8
100.97442	0.8
103.00390	1.1
113.02477	12.6
113.46268	0.9
115.00371	1.3
117.01943	1.9
121.02959	67.2
129.01923	1.1
175.02562	1.6
178.96169	0.9
191.05699	3.9
195.76152	0.9
231.05161	3.8
249.06171	37.4
279.75497	0.9
306.45685	1.0
371.09875	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
66.37742	0.2
69.22292	0.2
75.97109	0.2
117.03469	21.3
119.05025	10.6
121.02955	1.3
122.38731	0.2
125.09465	0.2
125.91273	0.2
133.02934	0.4
145.02965	100.0
146.03291	1.1
150.65901	0.2
163.04033	5.2
269.21255	0.4
285.20850	0.4
287.22311	13.0
307.67377	0.2
348.00494	0.3
392.60114	0.2
415.24957	1.0
433.26001	26.9
434.26459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80902	0.2
56.47676	0.2
59.01400	0.3
60.76917	0.2
61.27926	0.2
63.32031	0.2
69.91918	0.2
87.71906	0.2
93.03485	0.2
93.12279	0.2
105.22591	0.2
117.03474	25.0
117.57751	0.2
117.85296	0.2
118.04288	0.5
119.05033	38.5
121.02964	2.9
123.04566	0.5
133.02968	0.5
141.12823	0.3
145.02969	100.0
146.03316	0.5
154.59221	0.2
163.04027	20.4
172.18066	0.2
243.33832	0.2
244.33493	0.3
263.99005	0.2
269.21188	2.8
287.22311	10.3
415.24951	0.5
416.82455	0.2
433.26010	31.6
434.26248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36553	0.4
59.01387	2.1
71.05019	9.1
82.57599	0.4
83.05040	4.9
90.32592	0.4
90.76237	0.4
92.10102	0.4
149.12105	0.4
176.85284	0.4
178.07634	0.4
200.10017	0.4
239.50383	0.4
360.98096	0.4
369.31555	0.9
371.29504	0.9
373.31079	1.8
389.34375	2.3
427.19534	0.5
433.33301	100.0
434.33691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3328
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
58.36553	0.4
59.01387	2.1
71.05019	9.1
82.57599	0.4
83.05040	4.9
90.32592	0.4
90.76237	0.4
92.10102	0.4
149.12105	0.4
176.85284	0.4
178.07634	0.4
200.10017	0.4
239.50383	0.4
360.98096	0.4
369.31555	0.9
371.29504	0.9
373.31079	1.8
389.34375	2.3
427.19534	0.5
433.33301	100.0
434.33691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2367
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.45189	0.2
60.57962	0.2
68.30444	0.3
75.29484	0.3
78.95905	61.8
92.10126	1.1
96.96970	6.8
150.98058	2.3
152.99606	100.0
153.97319	0.3
166.25153	0.3
171.00696	2.9
232.89543	0.3
234.23700	0.3
249.97958	0.3
250.34650	0.3
279.23401	2.0
433.23654	7.5
433.28741	0.4
442.89359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21326	0.3
55.59778	0.2
59.01378	0.7
61.98821	0.7
67.59303	0.3
78.95901	76.6
84.81742	0.3
96.96957	5.6
141.61195	0.3
150.98024	2.5
152.99600	100.0
171.00667	2.1
211.67412	0.4
279.23370	2.4
415.40350	0.4
433.23691	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	433.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49166	0.9
59.41333	0.7
59.67992	0.7
69.96118	0.8
71.05024	6.6
83.05000	1.2
117.03465	20.5
119.05025	35.1
121.02963	1.4
145.02972	100.0
163.04015	17.1
241.81366	1.0
269.21234	1.8
287.22318	9.2
316.62296	1.0
373.31161	6.3
415.32214	6.3
433.26001	36.8
433.33252	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79462	0.8
54.89765	0.8
55.01889	4.7
57.03460	2.3
58.00609	1.3
59.01387	100.0
61.98835	1.4
65.91157	1.0
67.37495	0.9
71.01382	37.1
73.02941	9.0
76.57224	1.2
83.01405	6.4
85.02948	21.5
87.00897	2.4
89.02468	6.2
93.03461	5.4
95.01407	2.0
96.96029	1.8
97.02979	1.5
98.03750	1.3
99.00907	4.2
101.02446	27.1
101.98827	1.1
111.27570	1.0
113.02456	15.1
119.00269	1.1
119.03497	1.4
121.02957	2.0
135.04482	4.4
137.02512	1.7
139.07654	5.3
139.11308	8.2
149.09755	10.4
153.11255	1.0
159.03001	2.2
161.02480	1.2
161.04562	15.1
163.04129	1.4
167.10785	35.3
173.04539	3.9
178.06390	1.7
180.48009	1.0
191.05652	25.7
193.08742	2.0
196.07364	1.9
211.07889	2.0
211.09787	33.1
229.01486	4.3
373.15121	60.3
386.95886	1.1
433.11331	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	433.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86491	0.6
55.01884	0.7
59.01385	39.7
70.13023	0.7
71.01382	18.0
72.99313	1.0
73.02960	1.1
78.89812	0.6
83.01399	1.1
85.02964	5.9
89.02440	15.4
91.39812	0.8
95.01369	6.4
101.02451	11.6
111.00912	1.3
113.02461	6.7
117.78001	0.7
119.03478	4.2
123.00885	3.7
124.01653	1.0
127.00377	1.0
133.02969	1.0
135.04475	0.9
136.98782	1.0
138.03242	1.4
139.00371	3.3
139.04019	1.4
144.16785	0.7
145.03030	0.8
147.04492	0.8
151.00407	0.8
153.76733	0.7
155.10719	1.7
161.02440	0.8
162.03258	1.1
163.04012	1.1
164.59406	0.8
166.02721	1.6
177.01892	1.3
177.05554	1.3
178.02702	4.0
181.05167	1.0
182.31738	0.7
192.04291	1.6
193.05054	3.5
203.03589	1.2
204.04202	1.3
207.06528	1.7
209.15454	7.7
218.05905	0.9
227.16493	0.9
253.14508	12.2
266.42993	0.8
343.08246	1.2
355.08163	0.9
358.10489	4.1
373.13156	11.3
389.21786	1.2
403.10196	4.6
403.14484	2.9
418.12717	3.6
433.15051	21.5
433.20773	100.0
434.21082	1.2
457.24756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
59.01382	6.1
67.01913	3.2
68.42875	0.9
68.99835	1.0
71.01389	3.1
81.03469	1.1
83.01418	1.6
85.02998	0.9
89.02474	1.4
93.03452	1.8
95.01390	22.2
97.03033	0.9
109.02974	1.9
111.00893	5.0
121.02921	1.1
123.00899	20.7
124.01648	8.8
125.02460	4.6
127.00399	4.5
127.60659	0.8
133.02972	1.6
133.43134	0.9
135.04533	3.4
136.98796	3.4
137.02483	3.0
138.03229	5.8
139.00394	21.7
139.03996	9.3
140.01186	1.3
145.02975	1.9
146.03754	0.9
147.04523	1.3
147.60983	0.7
149.02551	0.9
149.06107	0.9
151.00394	1.4
152.01167	4.2
153.01964	5.4
153.05618	4.0
155.10738	0.9
159.04503	0.8
160.01605	0.8
161.02454	5.1
162.03241	4.7
163.04028	4.7
165.01950	1.2
166.02733	10.6
167.03551	3.0
173.04584	1.2
175.04033	3.7
176.01134	1.3
176.04800	0.7
177.01979	10.3
177.05568	7.3
178.02730	18.0
179.03528	3.2
181.05161	7.1
189.01949	4.2
189.05617	0.9
190.02739	1.8
191.03589	7.2
191.05643	4.8
191.07178	0.9
192.04347	8.1
192.05838	0.9
193.05070	17.7
195.70532	0.7
203.03531	8.5
204.04366	4.3
205.05032	1.8
207.06686	8.0
218.02438	0.8
218.05927	5.4
219.02957	1.4
221.04451	1.2
223.06125	1.7
233.04602	0.8
235.06038	1.2
241.05089	0.9
249.07649	1.0
268.52017	1.0
284.06973	0.9
315.08847	1.2
325.03613	1.2
325.07431	1.0
339.08807	0.9
343.08554	7.2
347.33795	0.8
352.58313	0.8
355.08313	4.2
358.10681	16.8
373.09235	4.6
373.13107	38.7
385.09103	2.5
385.13474	1.6
388.08417	1.0
403.09448	12.6
403.15103	13.1
418.12796	15.5
433.15167	100.0
433.20673	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	432.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90929	0.3
54.23362	0.3
59.01391	2.1
61.98839	100.0
71.01375	0.8
73.02959	0.7
85.02980	0.5
86.12431	0.3
96.96019	4.2
101.02429	1.3
102.02760	0.8
113.02470	0.4
149.51401	0.4
162.04880	0.5
204.62077	0.3
239.10339	0.5
277.44385	0.4
363.31122	0.5
370.14209	0.6
371.14331	1.6
372.14880	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	432.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04326	0.3
59.01386	6.0
59.57419	0.4
60.26401	0.3
63.01085	0.3
71.01378	4.3
71.46615	0.3
73.02956	0.8
80.48266	0.3
85.02975	0.7
87.00851	0.3
89.02451	7.1
93.03492	0.4
93.44281	0.4
97.02991	0.5
99.00893	1.4
101.02450	1.3
111.00887	0.8
112.35339	0.4
113.02471	0.7
115.04066	0.4
123.03273	10.3
124.07802	0.4
125.02444	2.5
131.03487	0.7
137.02475	0.4
138.05624	100.0
139.05972	0.6
149.04593	0.7
152.07161	0.7
180.06657	1.7
191.05647	3.1
216.49016	0.4
233.06677	2.5
244.84059	0.5
265.88248	0.4
269.25732	0.5
293.08859	2.9
294.09500	0.4
300.11124	0.8
351.13287	0.6
403.78946	0.4
432.15244	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	433.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82114	0.9
58.99617	1.1
59.01391	16.2
67.01904	2.3
69.12306	1.0
71.01389	15.4
73.02958	2.2
85.02966	7.7
87.00886	6.8
89.02441	10.2
93.03461	73.4
96.95990	6.9
101.02480	8.4
102.98626	3.8
105.03469	4.8
107.05023	1.6
109.02956	7.0
111.04527	4.1
113.02489	4.3
117.03455	1.2
119.03515	2.1
120.99657	1.2
122.91142	1.1
133.02968	35.6
135.04538	17.1
135.55396	1.0
136.01668	10.8
137.02455	100.0
138.02893	1.3
149.02414	1.0
149.64449	1.2
151.04012	4.4
151.06128	1.4
161.02443	5.5
173.04602	10.9
177.01979	7.9
179.03516	37.6
184.96971	1.1
188.72102	1.2
191.05638	32.1
200.47337	1.0
209.04684	2.2
215.00179	1.2
215.05666	14.5
215.26135	1.0
239.05611	18.5
243.99072	1.0
281.06677	2.3
283.04947	5.1
299.07736	1.4
307.08298	1.4
319.31714	1.1
320.28763	1.0
351.07208	22.8
375.07117	1.0
408.68149	1.0
433.04358	4.3
433.13583	69.5
434.13754	1.6
453.79880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.1
67.01899	1.6
67.64049	0.8
68.99834	0.8
71.01390	1.4
76.72071	0.9
78.50419	0.8
83.01410	3.8
93.03458	1.7
95.01412	5.0
96.96056	1.1
99.00853	1.1
107.05060	8.0
109.02977	4.0
110.00118	0.9
111.00872	6.5
112.98851	1.0
114.79452	1.3
119.05061	1.4
121.02959	1.7
123.00887	12.1
124.01642	10.5
125.02454	4.7
127.00401	7.3
133.02942	2.0
135.04555	8.7
136.98790	4.5
137.02444	5.0
137.42427	0.9
138.03226	6.1
139.00377	23.5
139.04019	12.0
145.02986	9.2
146.03793	1.5
146.49867	1.0
147.04532	8.6
148.01674	1.8
149.02443	2.0
151.00369	2.0
152.01154	4.0
153.01950	6.2
153.05592	2.2
153.64360	0.9
154.02673	2.0
159.04510	4.0
160.01555	0.9
161.02437	5.8
162.03242	11.1
163.04042	11.6
165.05621	1.3
166.02753	9.1
167.03491	3.4
172.29883	1.0
173.02501	1.9
174.03242	3.5
175.03984	4.9
176.01190	5.3
176.04820	0.9
177.01889	4.0
177.05553	16.3
178.02872	3.0
178.06332	1.7
179.03604	1.0
181.05092	4.9
188.01115	2.0
189.01895	6.9
189.05537	1.2
190.02679	1.5
191.03531	5.1
191.05573	2.2
192.04344	1.6
192.07965	1.4
193.05070	5.3
203.03511	9.7
204.04283	6.8
205.05093	2.1
207.06628	1.5
218.05849	12.6
219.06650	3.5
220.03682	1.1
237.08513	1.1
241.05014	1.3
249.07686	1.1
253.04980	1.0
269.04785	1.1
269.08011	1.9
271.06342	1.1
273.39758	1.1
284.06888	1.1
285.04053	1.8
299.09222	1.8
300.06528	1.2
308.03555	1.0
315.08774	3.6
325.03690	1.8
339.08722	1.3
343.08362	15.3
343.11978	3.4
355.08322	7.2
358.10687	31.0
370.10800	1.3
373.13025	67.8
385.09006	1.5
385.13303	3.3
388.08139	1.2
403.09372	12.5
403.14981	14.4
418.12750	14.1
433.15097	100.0
434.15384	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	431.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20578	0.3
58.59396	0.4
59.01381	4.0
78.95917	83.5
96.96976	8.0
114.38755	0.4
117.03547	1.5
119.05067	0.9
122.24530	0.4
130.20805	0.4
139.38591	0.5
145.02994	6.3
150.98062	1.6
152.99606	100.0
153.93860	0.4
154.58513	0.4
163.04099	0.6
171.00710	1.9
277.21765	1.9
312.26373	0.5
353.21277	0.6
431.22015	12.8
431.31598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08408	0.3
54.82618	0.2
58.87811	0.3
59.01381	1.8
62.30487	0.2
78.95904	63.5
82.50004	0.3
93.61388	0.3
96.96965	6.6
110.13734	0.3
117.03467	4.3
119.05014	7.0
144.29935	0.3
145.02972	16.1
145.04114	0.6
150.98061	2.4
152.99603	100.0
155.15741	0.3
163.03989	3.3
171.00661	3.1
218.23720	0.3
277.21924	1.3
285.20795	2.7
431.22104	6.3
448.20740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64059	0.4
64.64643	0.5
65.39074	0.5
78.95912	6.1
82.93012	0.5
92.10091	1.2
102.64855	0.5
117.03467	25.6
117.04259	1.1
118.04237	0.8
119.05030	40.7
121.02950	2.2
133.03032	0.7
145.02965	100.0
152.99600	9.4
157.73331	0.6
163.04016	20.8
171.91092	0.5
225.53978	0.7
246.16956	0.6
248.26683	0.6
257.59781	0.6
267.19647	2.6
285.20755	9.9
413.23431	0.8
431.24472	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11852	0.2
55.41730	0.3
56.70576	0.3
60.23539	0.2
63.42010	0.2
64.14039	0.2
78.18471	0.3
78.95911	1.2
79.36670	0.3
92.10763	0.3
95.33916	0.3
117.03477	24.5
118.04269	1.3
119.05030	39.9
121.02940	2.4
123.04565	0.4
133.02855	0.3
143.68109	0.3
145.02972	100.0
146.03252	0.5
152.99602	2.0
162.03270	0.4
163.04030	20.8
207.08008	0.3
212.17111	0.3
267.19635	2.3
285.20761	11.2
308.49094	0.3
413.23181	0.6
431.24484	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37499	0.4
54.49977	0.4
54.67919	0.4
59.01388	1.0
60.04675	0.4
60.68798	0.4
64.05862	0.5
64.33967	0.4
69.89296	0.4
78.95915	9.6
91.19849	0.5
92.10084	1.0
96.96976	1.7
117.03474	26.1
118.04242	0.8
119.05032	39.2
121.02990	1.9
145.02971	100.0
152.99611	15.7
163.04025	22.4
195.53094	0.4
267.19727	2.6
285.20740	9.9
297.27570	0.5
431.24466	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57542	0.5
54.82509	0.6
54.82800	0.4
55.30277	0.5
59.01389	10.9
61.98835	1.2
63.66174	0.6
78.01724	0.7
104.33349	0.6
153.96289	0.7
179.87335	0.7
181.36015	0.6
185.01126	0.6
197.01447	0.6
262.38586	0.7
353.21243	1.3
355.26514	5.3
357.28116	6.7
359.29657	19.6
387.29102	100.0
388.29901	1.2
395.29236	0.8
431.31775	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14396	0.4
58.67242	0.4
59.01381	0.9
60.99318	15.5
63.62823	0.4
68.37550	0.4
71.01385	2.0
87.00906	0.5
88.98814	100.0
89.02454	5.1
92.10899	0.5
96.96046	1.4
115.00382	2.5
133.01476	3.3
133.24573	0.4
194.06572	0.6
357.03348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19682	0.6
54.30238	0.6
59.01387	11.7
59.01648	0.7
61.98824	1.1
63.49257	0.6
69.03465	0.7
69.31762	0.6
71.01399	4.0
73.02962	1.5
74.42229	0.6
80.37456	0.6
84.25323	0.6
85.02986	0.8
89.02452	6.3
93.03469	64.4
95.19053	0.7
97.02982	0.7
99.00894	1.5
101.02461	3.2
101.06065	1.3
109.02982	1.0
111.00880	6.8
121.02961	2.9
121.73762	0.6
124.01683	3.6
125.02450	7.7
131.03514	0.8
137.02454	100.0
149.02417	0.8
149.04555	2.8
149.99620	3.7
151.04033	1.4
155.73439	0.6
168.00690	6.4
169.01430	0.9
190.69899	0.7
191.05693	2.6
223.06091	0.7
431.11801	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10901	2.9
53.53405	3.0
55.66076	2.8
59.01389	100.0
65.92869	3.3
71.01391	34.4
73.02960	12.9
83.01411	3.5
85.02984	17.1
85.70958	3.2
87.00888	5.0
89.02444	55.9
93.02313	3.5
93.03473	20.9
97.02946	3.9
99.00889	8.4
101.02475	22.3
101.06091	3.6
108.02189	21.9
109.02985	25.5
111.00898	16.5
113.02448	12.8
119.03510	3.7
125.02464	8.4
127.16024	3.6
131.03552	3.8
135.04553	5.7
137.02481	22.8
138.02005	16.1
141.92679	3.4
149.04582	16.8
151.04071	4.2
155.07184	3.9
179.03844	4.0
191.05627	20.6
233.06691	5.1
269.10654	4.0
293.08765	32.2
299.11627	3.9
301.91245	3.9
329.06445	18.2
357.34656	3.9
362.03705	3.8
431.13141	28.2
457.37866	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	431.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10901	2.9
53.53405	3.0
55.66076	2.8
59.01389	100.0
65.92869	3.3
71.01391	34.4
73.02960	12.9
83.01411	3.5
85.02984	17.1
85.70958	3.2
87.00888	5.0
89.02444	55.9
93.02313	3.5
93.03473	20.9
97.02946	3.9
99.00889	8.4
101.02475	22.3
101.06091	3.6
108.02189	21.9
109.02985	25.5
111.00898	16.5
113.02448	12.8
119.03510	3.7
125.02464	8.4
127.16024	3.6
131.03552	3.8
135.04553	5.7
137.02481	22.8
138.02005	16.1
141.92679	3.4
149.04582	16.8
151.04071	4.2
155.07184	3.9
179.03844	4.0
191.05627	20.6
233.06691	5.1
269.10654	4.0
293.08765	32.2
299.11627	3.9
301.91245	3.9
329.06445	18.2
357.34656	3.9
362.03705	3.8
431.13141	28.2
457.37866	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	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
58.00624	1.8
59.01387	83.9
59.60030	1.2
61.98855	1.5
66.24305	1.0
71.01383	53.7
72.99323	1.5
73.02946	23.5
77.14285	1.1
83.01433	1.6
85.02972	9.5
88.98835	5.2
89.02446	100.0
92.64787	1.8
93.03447	9.7
95.01373	1.5
96.60918	1.3
97.02995	1.5
99.00880	36.0
101.02441	37.1
108.02220	6.8
109.02985	6.0
113.02456	9.7
119.03564	4.8
119.05020	16.5
125.02474	2.4
130.67604	1.1
131.03468	10.4
137.02457	13.8
137.06152	1.3
143.03564	1.8
149.04578	34.7
152.01204	7.5
153.02000	2.9
161.04585	4.9
173.04626	1.5
191.05647	13.9
208.82838	1.2
221.06697	1.6
299.11569	4.5
355.02618	1.2
431.15958	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
64.19753	0.4
66.60755	0.4
71.01375	0.5
72.11756	0.5
79.03722	0.4
104.19079	0.5
121.02962	0.6
151.04021	0.5
161.02478	4.4
176.04811	4.3
179.03537	9.1
191.05603	0.6
191.07231	1.0
194.05888	7.7
209.08258	16.4
211.15915	0.6
236.30119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1565
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
51.21514	1.5
51.29428	1.3
54.64651	1.3
58.00613	2.1
59.01392	100.0
60.27144	1.2
63.30798	1.3
64.90810	1.4
68.82717	1.2
71.01389	56.4
71.60201	1.3
72.99329	2.9
73.02956	22.6
81.17378	1.5
82.95445	7.1
83.01412	2.0
85.02965	11.6
87.00916	2.1
89.02448	92.1
93.03465	2.0
96.95985	1.5
97.02970	1.7
99.00877	43.9
101.02437	24.3
107.05038	1.9
111.00870	17.7
113.02467	8.9
119.03529	3.6
119.05016	13.4
125.02486	12.9
127.08534	1.5
131.03546	14.4
149.04584	28.9
161.04573	2.3
166.98352	1.6
179.05678	1.8
182.10039	1.4
191.05684	18.9
225.96471	1.4
293.08835	2.7
431.15695	75.6
445.70499	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	429.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68338	0.5
57.03466	0.5
57.95027	0.6
60.23707	0.5
79.01920	0.7
85.06590	1.0
91.32516	0.6
97.06645	0.8
109.03014	0.8
111.04530	9.4
111.08207	0.8
116.95750	0.6
119.54208	0.7
123.04533	2.6
123.08150	1.1
139.03944	0.7
151.04031	11.4
165.05583	1.4
166.02766	1.2
177.09253	1.0
179.03476	0.8
180.04303	2.6
189.09410	0.7
193.05074	2.6
193.08704	3.6
203.07126	4.9
207.06660	9.3
208.07399	6.4
209.08194	1.0
217.08722	0.7
219.06686	1.2
221.08229	100.0
222.08990	15.9
233.08224	13.4
235.09756	13.7
235.17090	0.7
247.09799	3.2
252.89288	0.6
277.10965	0.7
287.12891	1.0
289.14517	0.9
303.16284	0.8
317.14050	0.8
319.92792	0.6
343.19122	1.3
345.16956	1.4
359.18704	1.0
360.19424	3.2
385.27365	0.9
415.83539	0.6
420.33524	0.8
429.26535	92.7
430.27084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2651
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
56.06696	1.6
57.03457	4.6
59.01389	4.3
71.20067	2.1
76.45828	1.9
78.89761	1.8
86.91009	1.9
89.31084	1.9
100.74298	1.8
111.04539	3.8
115.43388	1.9
116.92871	3.4
122.63134	2.2
170.55403	2.1
193.05048	3.0
207.06642	12.1
208.07471	14.3
209.08266	2.7
221.08214	7.8
233.08240	17.7
234.08990	2.7
259.17142	2.2
295.68228	2.3
303.16083	59.0
327.16183	18.0
342.18304	2.5
429.26563	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	429.3016
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
54.82815	1.9
59.01391	4.8
61.98840	2.6
62.28891	2.1
78.21039	2.4
82.38285	1.9
87.19281	2.0
134.99899	2.3
192.68460	2.1
195.58559	2.1
233.26273	2.3
262.61487	2.2
303.92801	2.2
339.27136	2.8
401.43051	2.1
429.30200	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	430.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69938	0.3
61.98839	100.0
63.44233	0.3
67.90025	0.3
71.01382	0.4
75.81135	0.3
77.93626	0.3
101.02460	0.4
128.13771	0.3
128.78850	0.3
217.27399	0.4
237.12404	0.4
333.81781	0.4
333.95126	0.4
370.17029	0.7
411.60220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44823	0.2
59.01385	3.0
61.98838	100.0
66.11123	0.2
161.79031	0.2
195.17654	0.3
209.08072	0.3
219.64590	0.3
236.17014	0.2
360.01999	0.3
362.60526	0.2
369.16925	0.3
370.16910	0.6
449.75339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1408
Annotation	Hymenoside L
Peak:m/z	Relative Intensity
54.03436	0.6
59.01381	7.1
59.16702	0.6
61.98844	1.6
64.34506	0.6
71.01401	3.3
72.99312	1.5
74.02452	0.7
82.66564	0.7
85.02968	1.7
87.00874	0.7
89.02450	1.4
90.09433	0.7
93.03465	3.7
101.02468	1.0
105.05530	0.6
108.02180	48.9
109.02982	0.7
113.02433	0.9
119.05022	1.2
123.03627	0.9
123.04527	25.8
127.05134	1.0
133.02972	1.2
135.04564	1.7
137.02449	4.1
147.04515	6.6
149.26772	0.7
152.01169	74.5
160.01596	2.1
161.02495	0.9
163.04027	1.3
167.03511	100.0
179.03500	1.4
191.03552	5.0
191.05605	6.2
191.62361	0.6
209.04521	0.8
337.08615	0.7
411.13477	0.9
429.14185	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	429.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01394	7.6
61.98835	0.8
68.85909	0.3
71.01395	4.5
72.99294	0.4
73.02969	0.8
85.02521	0.3
85.02974	2.3
89.02451	3.8
93.03471	0.6
96.95991	0.4
101.02449	3.2
108.02189	0.4
113.02457	2.0
117.03474	28.0
118.13367	0.3
118.89357	0.3
119.03570	0.8
119.05029	16.6
121.05092	1.6
122.03754	0.5
123.04535	0.9
130.35742	0.3
132.86363	0.4
133.02954	1.5
134.03691	0.5
135.04533	1.5
137.02444	0.4
145.02969	100.0
146.03328	0.4
161.02425	4.9
161.04561	0.4
161.06123	0.7
163.04037	17.2
163.05396	0.7
164.04224	0.3
191.03773	0.4
191.05617	1.7
205.05095	0.5
211.02405	0.7
429.14047	44.0
430.14215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1538
Annotation	Sesartemin
Peak:m/z	Relative Intensity
58.05634	3.3
59.01391	35.5
61.58517	4.2
63.28637	3.2
71.01399	18.6
73.02953	7.0
75.40410	3.5
77.01387	3.5
89.02444	39.5
93.43088	4.1
99.00927	4.2
99.17931	3.5
101.02454	7.1
113.02467	3.9
119.03509	7.6
137.94786	3.7
153.33673	4.0
157.26567	4.4
191.05692	6.4
195.52379	4.1
261.13599	5.6
266.10248	5.2
393.17767	100.0
429.15433	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1536
Annotation	Sesartemin
Peak:m/z	Relative Intensity
52.34962	3.3
55.92572	3.5
56.20341	3.1
59.01392	32.2
59.61087	3.1
62.77254	3.7
71.01394	18.6
73.02948	4.6
82.72717	3.2
85.02995	4.5
86.32661	3.3
89.02466	38.4
89.94298	3.6
99.00876	6.4
101.02459	8.4
113.02474	5.7
119.03518	5.5
121.55150	4.1
124.99077	4.8
128.18878	3.8
145.02953	4.4
149.04546	6.0
191.05634	16.7
202.28964	3.6
209.10634	4.0
245.62906	4.2
285.45895	5.3
393.17715	100.0
429.15451	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86475	0.8
59.07809	0.9
68.55222	1.1
83.34319	1.1
83.34894	1.1
92.10141	1.4
100.93371	5.0
111.04539	2.8
114.64064	1.1
115.90331	1.1
115.92088	41.0
116.92836	2.2
129.72884	1.2
140.82837	1.1
143.20702	1.1
151.04010	8.7
169.34369	1.1
172.95351	1.4
180.04317	4.4
203.07172	2.5
207.06587	7.1
221.08226	90.9
222.09027	22.8
233.08179	4.3
235.09741	6.6
429.26511	100.0
431.03510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96391	0.4
54.00447	0.4
56.71341	0.5
59.01387	100.0
64.35241	0.4
76.81369	0.4
78.09427	0.4
78.67464	0.5
108.76013	0.5
123.56545	0.5
129.71951	0.5
165.76923	0.5
169.99519	0.6
171.10263	2.2
275.20322	4.7
293.21228	2.2
309.72812	0.5
318.66757	0.5
427.27365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96391	0.4
54.00447	0.4
56.71341	0.5
59.01387	100.0
64.35241	0.4
76.81369	0.4
78.09427	0.4
78.67464	0.5
108.76013	0.5
123.56545	0.5
129.71951	0.5
165.76923	0.5
169.99519	0.6
171.10263	2.2
275.20322	4.7
293.21228	2.2
309.72812	0.5
318.66757	0.5
427.27365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75018	11.7
59.01396	100.0
59.11375	14.4
61.98850	16.8
66.85346	17.1
92.10280	17.3
228.55800	16.8
230.24741	15.1
231.43088	15.8
427.16672	34.8
427.27548	74.2
446.11313	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	427.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.0
62.14209	1.5
64.36084	1.5
65.45162	1.5
71.06625	1.3
74.20708	1.4
89.58550	1.5
112.94758	1.7
113.06091	3.0
127.30273	1.7
131.07132	7.2
131.16278	1.5
144.02411	1.8
155.10832	2.6
171.10277	7.5
184.33742	1.6
202.48073	1.6
205.91539	2.0
245.02588	2.6
295.22839	9.3
313.23883	100.0
367.13696	8.1
370.49783	2.0
427.31006	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	429.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
64.03115	0.5
71.01384	4.2
85.02944	0.9
89.02442	4.2
89.54068	0.5
90.21603	0.5
93.03458	7.5
96.96033	0.6
101.02470	1.1
105.01984	1.1
108.02191	3.0
113.02511	0.6
120.75323	0.6
125.02485	0.9
135.04539	100.0
136.04910	1.0
137.02434	0.7
161.02446	3.3
176.04105	2.3
179.03555	2.4
191.05641	7.6
204.04263	1.3
233.06804	1.2
237.36568	0.5
249.07854	1.3
273.18185	0.6
293.08807	3.0
293.11926	0.6
314.01974	0.6
323.07718	1.0
429.14526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
64.03115	0.5
71.01384	4.2
85.02944	0.9
89.02442	4.2
89.54068	0.5
90.21603	0.5
93.03458	7.5
96.96033	0.6
101.02470	1.1
105.01984	1.1
108.02191	3.0
113.02511	0.6
120.75323	0.6
125.02485	0.9
135.04539	100.0
136.04910	1.0
137.02434	0.7
161.02446	3.3
176.04105	2.3
179.03555	2.4
191.05641	7.6
204.04263	1.3
233.06804	1.2
237.36568	0.5
249.07854	1.3
273.18185	0.6
293.08807	3.0
293.11926	0.6
314.01974	0.6
323.07718	1.0
429.14526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96481	0.3
59.01392	7.4
61.98839	1.5
62.26115	0.3
69.87685	0.3
70.13299	0.3
71.01386	4.4
71.23283	0.3
72.99336	0.4
73.02979	1.5
74.19292	0.3
81.01941	0.3
83.01369	0.3
85.02971	1.6
89.02453	3.1
93.03484	0.7
95.26675	0.3
99.00864	0.3
101.02456	3.0
109.02953	0.4
113.02473	1.6
117.03479	26.2
119.03663	0.5
119.05035	15.0
121.05077	1.7
122.03760	0.5
123.04534	0.6
123.08153	0.7
133.02971	0.6
135.04539	1.7
137.02390	0.6
145.02979	100.0
146.03325	0.8
147.04584	0.4
158.61452	0.4
161.02451	1.9
161.04614	0.4
161.06079	0.7
163.04033	20.5
163.05402	0.7
173.04541	0.4
175.04005	0.4
178.13466	0.4
191.03877	0.3
191.05632	1.6
205.05107	2.1
209.02866	0.5
211.02284	0.5
265.06879	0.4
299.40732	0.4
307.08121	0.4
327.16052	0.8
375.18378	0.7
429.14063	41.0
430.14447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
56.01131	1.3
59.01387	43.6
61.05566	1.4
61.98822	2.3
67.01907	6.0
71.01382	23.1
71.39729	1.4
72.99309	1.7
73.02967	3.1
81.03465	7.3
83.01307	1.3
85.02979	11.3
86.06130	8.4
87.00880	7.0
89.02448	40.6
91.39374	1.7
92.10162	3.4
93.03458	29.3
96.96010	25.3
99.00882	3.7
99.04530	10.0
101.02463	15.3
111.00910	2.7
111.04516	5.7
113.02459	7.6
115.03995	1.7
119.03520	3.1
119.05013	2.4
121.02967	100.0
123.04517	6.9
131.03445	6.0
132.02182	6.1
133.02943	9.5
134.03719	16.1
135.04510	10.1
137.02411	2.1
141.41357	1.8
141.45671	1.3
143.03519	46.4
147.04555	2.3
149.04564	3.8
160.01677	21.0
161.02466	9.7
161.04448	2.2
167.03392	2.0
173.04572	21.1
175.04024	20.5
176.04826	2.7
178.02687	2.0
179.03520	3.6
191.05617	24.5
191.07132	3.1
193.05048	8.8
230.23175	1.8
235.06082	2.0
251.07765	19.7
265.07248	22.4
271.07193	6.0
297.11859	1.8
307.08368	7.1
312.48489	1.5
367.10474	27.4
426.17920	2.3
427.12466	25.2
427.17990	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78067	1.1
54.83259	1.5
55.01893	3.6
57.03474	1.1
59.01384	48.6
61.98844	2.8
64.12677	1.4
65.66339	1.2
65.97039	1.3
67.72640	1.6
71.01380	44.6
73.02942	28.5
74.31163	1.5
75.74914	1.2
83.01409	8.1
85.02946	25.9
87.00905	2.2
89.02429	14.0
92.10757	3.1
93.03432	1.5
95.01385	2.8
96.96017	22.3
97.02975	1.7
99.00902	8.3
101.02444	36.7
113.02442	24.2
119.03515	2.7
135.04509	1.6
142.27414	1.6
156.41112	1.6
159.03046	2.3
161.04567	24.2
191.05649	3.6
200.31104	1.7
224.33701	1.6
235.11894	33.1
249.09853	5.9
267.10831	2.6
367.16125	100.0
374.25916	1.4
391.12582	2.9
427.10260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82923	0.9
55.01897	3.0
55.60839	0.6
57.03462	3.6
59.01385	33.4
61.98864	1.1
70.50940	0.7
71.01381	39.6
72.99321	1.2
73.02945	19.0
81.41282	0.7
83.01397	6.1
83.93333	0.7
85.02953	21.1
85.03459	1.0
87.00910	1.6
88.98787	0.7
89.02441	14.9
90.26908	0.6
92.66103	0.8
94.06575	0.7
95.01407	3.9
96.96012	7.4
97.02936	0.8
99.00877	7.0
101.02435	31.2
102.62206	0.8
108.41157	0.7
109.02203	0.7
113.02448	21.6
116.92850	0.9
119.03518	3.3
131.03494	1.5
135.04524	0.9
137.12476	0.7
143.03546	1.2
149.04483	0.7
159.03040	3.8
161.04579	17.9
191.05603	4.5
235.11885	28.7
248.25577	0.8
249.09875	0.9
267.10931	3.0
275.11697	0.8
309.11957	1.3
367.16150	100.0
368.16452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
61.06960	0.3
66.67241	0.3
67.01891	0.8
70.69843	0.3
71.01378	0.7
85.02963	1.3
93.03451	6.8
100.89555	0.4
110.31723	0.4
111.04533	1.6
119.05031	0.7
133.03012	0.4
135.04530	38.8
137.02463	1.7
145.02968	0.8
147.04543	3.5
149.06245	0.4
155.03514	1.8
157.02943	0.4
160.01735	0.4
161.02469	4.4
162.03293	0.7
163.04012	25.6
173.04568	11.1
174.03203	0.5
175.02499	0.8
175.03999	17.2
175.05476	0.8
176.04724	0.6
181.03325	2.5
191.01765	10.9
191.05594	5.6
192.99684	0.6
194.00412	0.4
208.03743	0.5
209.02805	100.0
210.03210	0.5
220.08501	0.4
221.03831	0.4
229.01393	0.6
253.01791	33.1
352.23767	0.4
427.07129	15.0
427.12384	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08775	1.6
55.01909	3.0
57.03456	2.4
59.01390	60.3
60.55149	2.0
61.98842	3.5
64.15195	2.0
64.34204	1.8
71.01399	45.3
73.02962	21.7
73.35610	1.9
82.02094	1.7
83.01424	2.8
83.34349	1.8
85.02956	24.6
89.02458	19.0
89.39091	2.0
93.81594	2.1
95.01434	2.0
96.96007	25.7
97.72192	1.9
99.00907	9.4
101.02443	42.8
113.02460	18.2
119.03504	2.6
125.02489	2.3
125.66617	2.4
131.03499	2.0
135.04584	2.9
143.03435	2.8
159.02939	2.2
161.04584	19.5
191.05679	8.0
235.11899	40.6
249.09883	9.3
267.11026	2.4
309.12180	2.6
367.16113	100.0
370.12515	2.2
385.18109	2.8
391.12778	8.9
427.10538	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	427.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
56.01131	1.3
59.01387	43.6
61.05566	1.4
61.98822	2.3
67.01907	6.0
71.01382	23.1
71.39729	1.4
72.99309	1.7
73.02967	3.1
81.03465	7.3
83.01307	1.3
85.02979	11.3
86.06130	8.4
87.00880	7.0
89.02448	40.6
91.39374	1.7
92.10162	3.4
93.03458	29.3
96.96010	25.3
99.00882	3.7
99.04530	10.0
101.02463	15.3
111.00910	2.7
111.04516	5.7
113.02459	7.6
115.03995	1.7
119.03520	3.1
119.05013	2.4
121.02967	100.0
123.04517	6.9
131.03445	6.0
132.02182	6.1
133.02943	9.5
134.03719	16.1
135.04510	10.1
137.02411	2.1
141.41357	1.8
141.45671	1.3
143.03519	46.4
147.04555	2.3
149.04564	3.8
160.01677	21.0
161.02466	9.7
161.04448	2.2
167.03392	2.0
173.04572	21.1
175.04024	20.5
176.04826	2.7
178.02687	2.0
179.03520	3.6
191.05617	24.5
191.07132	3.1
193.05048	8.8
230.23175	1.8
235.06082	2.0
251.07765	19.7
265.07248	22.4
271.07193	6.0
297.11859	1.8
307.08368	7.1
312.48489	1.5
367.10474	27.4
426.17920	2.3
427.12466	25.2
427.17990	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.343
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
59.01382	6.0
61.98819	4.5
75.25347	4.8
81.09771	4.9
97.06594	23.2
107.64947	5.1
119.28403	4.5
148.38446	5.6
155.58781	5.6
269.91190	5.1
290.94730	4.9
385.75885	5.7
389.92136	5.1
421.30582	5.4
423.32681	19.2
425.34351	100.0
439.32196	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	426.1412
Annotation	Pemetrexed
Peak:m/z	Relative Intensity
53.33156	0.8
58.77729	1.0
59.01377	5.6
63.53686	0.9
66.53883	0.9
71.01390	1.1
72.04543	21.0
82.02986	67.2
83.01368	1.1
89.02467	1.7
93.18366	1.2
98.01874	2.1
98.02477	37.8
100.04037	21.5
101.02457	1.1
106.34146	1.1
107.05019	5.5
116.68149	1.0
116.92846	1.2
119.05031	60.2
128.25487	1.0
131.46281	1.0
134.17336	1.2
136.07687	100.0
143.60356	1.3
162.47354	1.0
191.05574	4.6
192.10284	2.3
218.08176	6.8
220.09824	66.5
246.07718	2.3
264.08728	4.5
408.12674	1.2
426.14102	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83797	0.4
57.03444	0.4
59.01372	2.0
60.99309	0.4
71.01366	1.0
73.02939	0.4
81.31663	0.5
83.04996	0.5
85.02946	2.0
87.00875	0.7
88.98794	0.7
92.10877	0.9
93.03442	2.4
101.02467	0.7
111.04524	2.0
113.86283	0.5
133.02960	0.8
134.03711	0.6
135.04527	44.8
137.36783	0.5
145.02942	0.8
147.04587	4.4
149.06003	0.5
155.03445	0.5
157.03032	0.7
158.03699	0.6
159.04535	0.6
161.02443	5.1
162.03275	1.7
163.04019	32.7
167.01915	0.5
173.04529	2.8
174.03209	0.9
175.04019	20.1
181.03311	2.8
191.01747	14.4
191.05579	5.6
192.99734	0.8
209.02802	100.0
210.03120	0.9
229.01506	2.7
235.00734	0.6
235.11760	0.6
253.01772	22.3
427.07208	28.2
427.12567	2.7
427.62857	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	427.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.0
59.01399	1.4
71.01369	1.1
73.17119	0.7
82.45658	0.7
83.05006	1.0
84.66763	0.8
85.02966	10.9
87.00890	6.6
93.03468	13.2
109.02933	0.8
111.04498	6.0
127.04028	4.4
135.04533	32.2
145.69672	0.8
147.04539	8.3
161.02463	38.2
163.04027	25.8
173.04576	4.3
174.03232	3.5
175.04015	22.9
181.03403	1.2
191.01845	12.1
191.05637	100.0
192.99629	1.6
201.02080	1.0
209.02811	90.3
216.99657	4.7
235.00708	19.9
253.01845	7.7
427.07108	90.8
428.07324	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	425.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26974	8.0
50.65876	9.1
52.46874	8.6
59.01394	100.0
61.34249	9.7
64.34638	11.9
71.01413	56.8
75.00906	48.5
85.02994	24.9
89.02486	17.2
96.96052	64.2
101.02494	14.0
116.92884	18.2
178.67542	11.6
190.95042	12.9
365.18353	22.9
425.16586	21.2
445.03720	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	425.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55221	0.2
59.01383	0.3
70.85416	0.2
85.02934	0.2
92.10797	0.4
93.03452	0.8
119.05036	100.0
120.05358	1.0
163.04027	53.4
191.05586	0.4
295.02237	0.3
307.08325	1.1
315.08914	0.2
318.96927	0.2
367.10654	0.2
425.14789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	14.2
57.03474	4.5
59.01390	61.6
61.98837	2.6
71.01390	59.9
72.99335	3.3
73.02947	40.7
83.01387	17.7
85.02959	35.9
86.00078	2.7
87.00887	3.2
89.02470	10.8
95.01414	5.4
97.02970	2.3
99.00896	11.6
101.02447	69.5
113.02485	21.8
114.28507	2.1
114.82710	2.0
120.99661	3.7
125.02416	2.2
131.03458	3.8
136.08612	2.2
145.22380	2.2
161.04573	18.7
167.77487	2.0
185.66064	2.5
235.37283	2.3
259.60370	2.5
291.18155	75.2
352.10663	2.3
414.94046	2.3
423.22476	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	423.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57547	1.1
53.18933	1.1
55.01889	9.5
57.03455	6.3
59.01385	50.1
61.51495	1.2
61.98841	1.5
69.03476	1.6
71.01381	52.1
72.99304	2.0
73.02943	32.8
75.00903	1.9
81.50932	1.3
83.01396	16.7
84.65356	1.3
85.02958	34.4
85.10252	1.2
87.00880	2.6
89.02454	9.8
95.01397	2.9
97.02959	2.3
99.00879	8.8
101.02443	58.7
113.02441	23.2
125.02517	2.4
129.01886	1.3
131.03522	2.0
135.29736	1.5
159.03014	2.9
161.04590	14.7
233.06613	1.4
250.43584	1.4
291.18195	65.3
391.59976	1.7
423.22446	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	423.2399
Annotation	Briarellin N
Peak:m/z	Relative Intensity
53.89631	0.9
57.03471	4.7
59.01392	25.3
62.99436	1.0
69.03451	1.2
70.62393	0.9
71.01392	14.9
71.05042	2.7
73.02951	1.5
79.05550	1.1
81.03452	1.1
85.02980	1.5
87.00929	1.1
87.31940	0.9
89.02439	20.3
89.02911	1.3
95.05035	1.5
96.96098	1.2
97.02991	2.4
97.06636	1.4
99.00916	6.0
101.02480	4.9
107.05061	6.6
109.06621	2.4
111.04531	2.0
111.31788	1.1
111.78738	1.1
115.03995	1.3
115.97785	1.0
119.08652	21.8
119.09368	1.1
120.99673	4.3
121.03041	1.2
121.06641	1.6
123.04529	1.8
123.08182	6.4
123.33499	1.1
124.05330	5.0
125.02470	5.1
125.06075	10.2
127.07655	10.5
129.09254	7.4
135.08226	5.4
137.06085	1.5
137.09756	6.3
139.07692	7.8
144.33783	1.1
145.06593	2.0
146.03809	2.2
147.08153	1.5
149.04562	1.7
149.09720	1.4
151.11270	1.4
153.09248	5.0
155.10899	1.4
161.09766	5.3
165.09258	2.0
173.09761	2.1
177.05539	1.9
179.10844	5.6
186.62227	1.0
191.10870	5.2
197.11887	6.2
200.34189	1.3
209.11826	9.7
217.16180	1.1
233.06749	1.8
243.20401	1.4
248.53284	1.2
261.18829	1.3
279.19720	1.7
283.19305	7.0
293.08939	2.5
295.20847	4.4
313.11017	4.7
313.22098	1.4
317.18158	2.3
325.21805	1.6
327.19794	5.1
331.22934	1.6
335.19232	3.9
343.22977	4.7
345.21021	6.1
361.23947	7.7
363.22009	5.3
379.24902	21.6
387.11075	1.7
423.24164	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	423.2522
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
50.35363	0.6
59.01387	1.7
71.26536	0.7
78.48363	0.7
78.95902	14.5
110.98539	9.2
116.92834	3.2
152.99553	0.8
163.15939	0.8
167.01164	8.9
185.02202	2.7
255.23318	100.0
258.22769	0.7
332.70923	0.7
379.32327	0.8
423.25250	17.8
423.31223	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	423.3276
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
58.68554	0.4
60.34570	0.4
60.54165	0.4
74.31618	0.4
75.19402	0.4
78.22642	0.5
110.20617	0.4
111.08139	0.6
116.92861	0.9
135.73802	0.3
189.12894	0.8
205.15994	100.0
206.16353	0.6
251.11299	0.4
290.14456	0.4
423.32745	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82722	0.7
57.03466	1.7
59.01393	15.0
60.23496	0.6
70.87053	0.7
71.01392	4.7
73.02946	1.4
77.33736	0.6
83.01404	1.1
85.02953	2.9
85.06608	4.3
87.00880	25.2
89.02467	1.2
89.77089	0.7
96.96037	3.1
101.02454	2.7
102.98616	3.0
103.12634	0.8
113.02565	2.0
113.04327	54.9
115.02240	3.6
116.92841	0.8
119.05048	0.8
133.03282	2.7
157.03311	100.0
175.04358	75.0
204.66724	0.7
235.16241	0.8
249.06183	32.4
425.05618	1.5
425.11343	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94318	0.7
55.94024	0.7
56.02988	0.7
56.44507	0.7
59.01382	100.0
60.28933	0.8
61.98848	0.9
71.01378	13.9
72.25388	0.8
72.99319	1.3
73.02945	1.6
83.01414	1.0
84.95131	1.4
85.02964	4.5
87.00895	1.2
88.98870	0.8
89.02436	8.3
92.10783	0.8
93.03455	1.4
94.49115	0.8
95.01422	1.1
96.96022	10.9
99.04556	0.8
101.02446	6.9
111.00871	4.9
113.02465	5.1
116.92863	1.2
119.03506	1.5
119.05027	2.0
127.99633	0.8
135.04552	1.5
143.03484	0.9
166.02721	1.1
189.07678	1.2
191.05627	5.3
199.13547	1.0
201.11285	1.2
223.06113	1.0
225.11285	1.1
243.12373	4.9
248.51497	0.9
261.13351	1.2
271.06113	1.9
286.08548	1.9
301.10791	1.8
305.12454	2.1
327.49207	0.9
342.72342	0.9
398.71887	0.9
423.13483	1.5
423.18851	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94318	0.7
55.94024	0.7
56.02988	0.7
56.44507	0.7
59.01382	100.0
60.28933	0.8
61.98848	0.9
71.01378	13.9
72.25388	0.8
72.99319	1.3
73.02945	1.6
83.01414	1.0
84.95131	1.4
85.02964	4.5
87.00895	1.2
88.98870	0.8
89.02436	8.3
92.10783	0.8
93.03455	1.4
94.49115	0.8
95.01422	1.1
96.96022	10.9
99.04556	0.8
101.02446	6.9
111.00871	4.9
113.02465	5.1
116.92863	1.2
119.03506	1.5
119.05027	2.0
127.99633	0.8
135.04552	1.5
143.03484	0.9
166.02721	1.1
189.07678	1.2
191.05627	5.3
199.13547	1.0
201.11285	1.2
223.06113	1.0
225.11285	1.1
243.12373	4.9
248.51497	0.9
261.13351	1.2
271.06113	1.9
286.08548	1.9
301.10791	1.8
305.12454	2.1
327.49207	0.9
342.72342	0.9
398.71887	0.9
423.13483	1.5
423.18851	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.2
59.01389	4.1
60.72351	0.2
61.98847	0.2
69.95493	0.1
71.01389	1.9
72.99323	0.2
73.02955	0.4
75.00912	0.2
78.95903	6.0
79.95741	2.0
83.01408	0.2
85.02966	1.1
87.04510	0.4
89.02441	0.9
94.33990	0.2
96.96006	100.0
96.96912	10.7
99.86752	0.2
101.02438	1.1
113.02465	0.9
116.92817	0.8
119.03432	0.4
119.04993	1.8
120.99611	0.4
139.09052	0.2
143.03511	0.2
149.02480	0.3
154.84650	0.2
160.18442	0.2
163.04021	1.4
164.04822	0.3
200.99593	1.1
201.01382	0.2
201.11275	0.9
208.26740	0.2
223.06032	0.3
223.41789	0.2
258.76669	0.2
261.00702	0.3
271.06049	0.4
271.27390	0.2
291.14578	0.7
301.10562	0.3
363.16748	0.4
423.05826	0.2
423.18973	2.0
445.01666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.1
60.56031	0.6
71.01057	0.6
71.01371	4.7
72.99303	0.8
73.44674	0.6
75.00863	0.6
79.95742	7.7
80.96537	0.6
85.02946	1.1
87.00868	0.7
89.02461	3.2
93.03463	0.8
96.96012	5.3
98.95600	5.4
99.92590	1.2
101.02445	3.4
107.05093	0.6
113.02444	0.9
113.89839	0.7
116.92873	5.7
119.05028	100.0
135.04527	17.1
154.15454	0.6
163.02708	1.3
163.04018	33.9
180.23021	0.6
181.05083	14.5
197.40700	0.7
199.00734	23.9
215.00266	15.6
221.88812	0.7
241.30511	0.6
242.99670	1.2
261.00714	7.3
304.66208	0.6
343.10349	3.8
355.57846	1.0
423.06094	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41027	0.2
59.01392	2.0
61.98837	1.2
65.52509	0.3
66.34378	0.3
71.01392	0.6
72.43270	0.3
78.95914	7.8
79.95746	1.8
82.44049	0.3
82.95380	0.3
84.75593	0.2
87.00858	0.3
89.02480	0.5
96.96009	100.0
96.96923	14.0
99.63995	0.3
101.02454	0.5
113.02451	0.3
116.92815	0.3
119.05024	1.2
129.03799	0.4
135.04662	0.4
317.04596	0.3
326.48621	0.3
353.87225	0.3
365.66458	0.3
391.06876	0.5
405.22955	0.3
423.06195	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	423.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35157	2.2
53.84801	2.6
55.01905	5.1
56.81883	2.4
59.01397	69.0
69.03481	5.4
71.01389	100.0
71.05042	3.1
73.02961	30.5
75.00861	4.0
79.95772	6.8
80.44093	2.6
83.01391	6.9
85.02957	29.3
89.02448	51.3
89.98813	2.7
95.01385	4.5
96.96017	15.8
97.02943	12.3
99.00904	20.5
99.04558	3.1
99.20942	3.1
101.02461	34.9
108.10402	3.1
113.02472	23.3
115.00356	3.2
115.04050	6.5
116.92867	60.8
119.05038	69.2
120.99709	4.0
125.02442	15.4
131.03535	3.6
135.04555	6.7
147.06645	6.3
149.04651	11.0
151.32303	3.1
161.04613	21.6
163.04048	28.8
177.82536	3.5
181.05119	23.8
191.05702	4.3
199.00720	13.1
215.00220	12.5
233.06700	13.4
261.00839	4.2
293.08789	20.5
423.06317	48.1
423.14987	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43285	4.6
54.05018	3.6
55.01886	4.7
59.01389	100.0
67.97083	4.5
71.01404	11.4
73.02965	20.6
74.99116	4.3
81.30008	4.1
83.01397	5.8
89.02449	7.0
92.10440	4.9
96.96009	20.6
101.02419	7.9
117.05590	9.3
118.98096	36.5
120.99677	10.9
122.06138	11.1
136.07724	22.7
138.09297	6.0
154.03302	6.0
164.07198	8.6
178.08774	19.4
423.12402	21.1
423.18433	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01235	0.1
59.01110	0.2
59.01391	4.0
59.01664	0.3
63.42171	0.1
69.03446	0.1
69.42062	0.1
71.01381	1.9
73.02958	0.4
76.36376	0.2
78.95904	5.9
79.95738	1.5
83.01395	0.2
85.02974	0.8
87.04525	0.2
89.02441	1.0
96.96013	100.0
96.96920	11.6
99.00890	0.2
101.02453	1.2
108.19878	0.1
113.02458	0.4
116.92866	0.7
119.05041	1.7
120.37764	0.2
120.99652	0.3
134.03754	0.2
149.02480	0.3
150.03195	0.2
163.03984	1.2
164.04784	0.2
171.58258	0.2
180.00287	0.2
189.01819	0.2
191.05626	0.3
200.99721	0.6
201.01553	0.4
201.11366	0.4
223.06114	0.2
243.49995	0.2
261.00861	0.3
271.06219	0.3
291.14517	0.2
301.10962	0.3
363.16534	0.6
423.18781	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	421.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
77.68466	82.2
137.64899	100.0
163.04630	81.4
195.26321	83.5
265.66812	80.1
349.15625	93.0
444.66895	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76189	2.0
58.99626	12.0
59.01394	18.0
61.98837	65.9
71.01380	10.1
85.02959	3.2
87.00900	5.9
90.48174	2.3
91.20635	2.4
96.96019	9.4
99.92603	3.1
101.02437	3.6
102.98610	48.8
112.04050	25.0
113.02450	4.2
116.92866	65.0
119.05045	3.1
120.99652	100.0
126.05660	3.1
161.04604	3.2
191.05669	4.9
197.87733	2.4
269.14926	2.8
283.05002	36.1
312.39481	2.8
423.06400	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44736	0.1
59.01383	0.2
68.09691	0.2
80.91696	0.9
92.10119	0.2
147.08157	0.2
161.60898	0.2
163.11302	100.0
164.11586	0.7
280.70486	0.2
292.51776	0.2
339.23349	46.7
340.23627	0.8
341.78842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2239
Annotation	Metaplexigenin
Peak:m/z	Relative Intensity
50.74597	0.9
57.29133	0.9
59.01390	39.9
71.01416	1.5
73.02957	1.2
80.86612	1.0
85.02985	1.5
89.02475	1.1
93.03487	1.7
94.53329	1.2
96.96058	1.0
97.90814	1.2
99.00821	1.1
109.02976	1.5
110.29134	1.1
120.99690	2.7
121.06627	1.8
123.08170	100.0
135.04485	1.5
157.08739	1.3
165.10332	1.0
177.12859	2.4
191.05618	2.3
221.11906	12.6
259.10846	13.4
361.20297	60.6
375.87106	1.4
390.74609	1.3
421.22177	2.1
421.27710	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	421.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84930	0.4
57.03460	3.3
58.02988	2.8
59.01384	5.1
70.02985	12.9
71.01398	2.8
71.05025	19.1
72.27510	0.4
73.45756	0.4
73.83574	0.4
85.02972	1.7
87.05639	7.1
89.02464	0.8
96.96016	1.0
99.04516	5.3
99.58010	0.5
101.02465	0.7
113.02471	2.1
115.05132	2.0
116.07198	4.1
129.05606	2.2
130.03317	10.1
146.08253	100.0
147.05998	3.8
149.02458	2.6
156.35161	0.5
161.02455	2.0
164.04848	0.9
175.00420	0.6
179.07124	0.7
190.02769	2.4
205.05119	4.4
208.03763	0.8
217.11963	19.2
223.06155	4.0
241.00331	0.6
243.13507	0.6
267.07349	2.4
277.12323	78.6
319.13489	0.7
385.11459	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76124	7.8
58.43653	9.3
59.01404	58.5
62.59788	8.5
71.01400	13.9
77.89104	9.6
93.03485	13.7
96.96009	56.2
112.54646	9.7
153.67657	10.4
191.05600	20.0
242.28259	10.8
257.80005	12.3
276.33655	12.1
377.18323	24.4
421.11627	21.5
421.16879	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76124	7.8
58.43653	9.3
59.01404	58.5
62.59788	8.5
71.01400	13.9
77.89104	9.6
93.03485	13.7
96.96009	56.2
112.54646	9.7
153.67657	10.4
191.05600	20.0
242.28259	10.8
257.80005	12.3
276.33655	12.1
377.18323	24.4
421.11627	21.5
421.16879	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	421.156
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
51.95358	33.0
53.97684	40.5
54.72489	36.6
59.01388	86.1
59.48891	34.6
64.42738	37.7
66.54726	41.9
69.37377	41.4
82.64738	39.0
92.10815	99.9
100.69958	43.0
177.44548	43.3
179.87212	48.9
183.44760	49.8
214.22501	43.3
421.15674	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	421.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32258	0.4
53.09295	0.4
57.03464	5.1
58.02991	2.4
59.01390	16.8
60.11416	0.4
61.98854	0.5
67.24737	0.5
70.02986	10.9
71.01391	9.8
71.05025	16.5
72.00925	0.6
72.99321	1.2
73.02947	1.0
75.00890	2.2
82.95414	1.1
85.02962	7.1
87.00894	2.9
87.05633	6.6
89.02451	5.8
91.05539	2.1
92.10804	1.4
93.03459	1.9
95.01418	0.8
96.96000	2.5
97.04089	0.7
99.00877	2.0
99.04531	5.9
99.92594	2.3
101.02458	3.8
109.02953	0.9
113.02455	10.1
115.05161	2.3
116.07199	3.2
116.92864	21.3
117.01926	0.5
117.03440	0.5
119.01434	1.0
119.03486	0.6
121.02944	1.0
129.05569	2.0
129.15633	0.5
130.03333	7.3
135.04550	2.2
136.81346	0.5
146.08244	100.0
147.06030	3.7
149.02457	11.4
152.01172	1.2
161.02426	0.9
163.03998	1.9
164.04800	11.1
164.76747	0.5
165.01926	0.7
167.45508	0.5
173.56210	0.6
174.01761	0.6
175.00371	11.3
178.02875	0.5
179.03299	0.6
179.07166	3.3
190.02739	44.6
191.05629	2.5
193.01460	3.3
193.04988	0.5
194.25537	0.5
205.05099	47.5
206.05762	0.8
207.05112	0.6
208.03795	9.6
217.11967	19.9
223.06151	30.7
247.06148	3.3
249.06200	1.2
267.07123	14.5
271.09821	0.8
277.12286	79.4
377.18240	2.3
385.11462	31.0
421.13205	1.8
432.44641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.5
60.01723	2.7
61.01815	4.8
61.98834	100.0
94.56966	0.5
120.56390	0.5
134.75221	0.5
150.62790	0.5
199.86911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72261	0.7
56.80534	0.8
59.01402	1.0
66.29384	0.8
69.09583	0.7
78.91891	10.7
78.95910	2.0
85.02949	10.4
87.00887	3.1
92.10105	1.0
93.03464	4.6
96.96980	1.9
108.90196	3.3
111.04547	1.0
127.04005	4.1
165.04106	1.8
191.05635	100.0
192.05858	1.0
241.01118	1.2
263.57370	0.8
308.57910	0.9
421.07803	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14399	1.1
53.61882	1.0
53.77870	1.0
57.03462	5.1
59.01388	30.8
59.01657	2.0
68.99836	2.7
71.01383	30.6
72.99325	5.1
73.02955	1.8
75.00871	25.8
85.02959	39.9
87.00893	14.0
89.02455	10.0
89.65803	1.3
91.05534	29.4
93.03449	2.6
95.01388	8.7
95.05060	1.4
99.00883	16.7
103.00374	2.7
113.02459	41.0
116.92812	1.4
117.01945	3.0
117.03494	7.5
129.01956	5.3
130.24158	1.4
135.04541	17.8
191.05548	2.7
205.07149	1.4
207.05183	1.4
223.08272	1.5
249.06163	34.7
254.89990	1.2
255.88797	1.4
267.07266	75.0
377.15942	2.0
385.11511	100.0
387.71222	1.4
421.15140	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	419.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94049	0.9
56.35521	0.9
57.03466	1.4
59.01387	100.0
61.95686	0.8
70.61304	0.9
71.05025	10.5
72.85650	0.8
73.15723	1.0
73.41393	0.9
74.88319	0.8
76.54810	0.9
85.06601	1.7
87.04510	1.9
95.05017	1.2
97.06581	23.0
125.09732	1.8
128.33789	0.9
139.84506	0.9
141.82437	0.8
153.12888	1.6
159.11893	0.8
165.99835	0.9
167.12120	0.9
169.12369	5.2
171.13910	45.3
189.16528	0.9
211.95923	1.0
225.18597	10.8
243.19682	11.2
299.26221	1.0
307.51120	0.9
323.25906	1.8
341.27115	4.1
359.28094	58.2
396.77222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3172
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
54.82804	0.8
59.01386	72.1
60.37095	0.7
61.70018	0.6
66.90858	0.7
68.48413	0.6
81.85742	0.8
89.16420	0.7
97.86775	1.2
97.97617	0.8
142.14522	0.7
149.18916	0.9
355.30115	3.4
357.28058	5.3
419.31775	100.0
420.32120	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	419.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56649	1.4
59.01388	83.3
68.26575	1.5
74.29263	1.6
81.73778	1.6
86.32959	1.6
87.40253	1.5
119.91059	1.5
142.69046	1.6
150.97365	1.5
157.13187	1.8
185.00844	1.5
291.27640	1.7
357.28098	3.6
419.31769	100.0
420.32553	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	419.3174
Annotation	6-Ethylchenodeoxycholic acid
Peak:m/z	Relative Intensity
59.01389	2.7
60.12707	0.9
61.98842	4.5
71.05019	14.9
71.08315	1.1
83.05017	10.9
92.51402	1.1
117.93062	1.1
121.02971	5.4
142.75670	1.1
157.17157	1.2
165.97191	1.2
184.05966	1.0
273.22107	1.2
341.25027	2.2
355.30139	1.8
357.28107	5.1
359.29657	2.3
371.29654	1.3
375.32831	14.1
375.37381	1.6
383.07843	1.7
419.31787	100.0
420.32321	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	420.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26484	0.2
61.98841	100.0
64.44577	0.3
66.68121	0.3
70.33920	0.3
73.02473	0.2
73.02957	0.3
86.90103	0.3
96.68593	0.3
109.02966	8.7
119.05092	0.3
129.03519	0.3
145.77286	0.3
147.04541	3.3
147.62166	0.3
158.03722	0.4
159.04524	8.0
161.02391	0.3
191.05557	1.3
192.05949	0.6
247.50444	0.3
269.08206	5.0
284.55585	0.3
296.33377	0.3
300.75616	0.3
313.07208	0.3
357.06030	0.5
421.21570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
65.78490	22.9
75.52210	21.2
77.66693	24.4
91.62445	23.4
92.10759	60.6
96.96037	31.7
105.55433	23.5
213.72000	25.1
282.69772	26.1
416.24435	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81444	0.4
56.59536	0.4
59.01387	100.0
61.98821	0.7
68.99572	0.9
70.38152	0.4
71.01385	4.0
85.02953	2.4
89.02461	2.3
92.10826	0.8
96.95961	0.7
101.02434	1.9
112.98586	1.1
113.02419	0.9
119.03488	0.7
132.22388	0.5
133.81325	0.5
134.06250	0.5
137.02460	2.2
164.04761	0.6
167.03465	3.7
179.07167	1.8
182.05907	6.1
191.05638	2.3
197.08209	9.6
205.49934	0.6
206.33548	0.5
256.07648	0.6
347.83698	0.5
381.17795	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	419.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19715	1.7
51.44131	1.7
59.01385	100.0
67.07796	1.9
71.01380	4.1
71.25793	2.2
72.61357	2.1
76.87078	2.4
82.25423	2.4
85.02981	2.6
96.96017	32.8
97.63672	2.4
101.02438	5.4
107.23388	2.4
114.27451	2.7
121.02933	17.8
164.04819	67.3
174.71666	2.6
179.07179	41.2
197.08206	19.9
235.54941	2.5
251.11328	3.6
355.17279	2.6
383.15677	34.1
419.13440	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16972	0.7
56.70898	0.7
59.01387	100.0
70.54454	0.8
71.01389	1.6
96.96008	20.4
121.02966	20.7
161.04565	1.5
162.06592	0.8
164.04814	82.7
179.07158	36.0
184.14024	0.8
197.08240	24.7
359.13254	0.9
383.15756	8.8
397.71793	0.9
419.13391	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	419.0993
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
54.82633	1.1
55.66517	1.2
59.01385	8.1
62.04475	1.2
63.04733	1.2
64.34550	1.0
65.31902	1.2
67.12443	1.1
86.95274	1.4
108.02185	100.0
109.02970	15.9
121.02969	2.5
135.04520	1.8
137.02411	5.2
145.02962	6.0
145.46976	1.4
147.04506	2.4
151.03996	5.3
152.01164	44.6
153.01923	15.1
155.00507	1.3
155.10687	1.8
163.03993	8.1
174.03172	2.6
175.04013	20.1
176.04823	9.7
180.04286	5.3
188.04820	6.4
189.05574	9.0
190.06425	19.2
191.05595	1.9
191.07140	15.0
193.05051	7.1
194.05823	3.2
205.08754	12.2
207.06520	5.1
208.07391	7.0
212.45940	1.7
389.11484	1.9
389.16202	45.5
419.09964	38.6
419.18793	2.0
419.30295	2.0
420.10013	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	419.049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84468	0.2
54.82893	0.2
55.26975	0.2
55.53155	0.2
67.65121	0.2
69.03474	0.3
69.95400	0.2
71.01401	0.9
73.02959	1.2
78.95930	1.9
79.95760	1.4
85.02982	2.5
87.00893	7.7
95.51302	0.2
96.96021	100.0
96.97010	2.7
97.02956	1.4
103.04044	0.5
113.02450	0.3
115.00391	1.0
128.33194	0.2
142.33971	0.2
157.01476	0.3
175.02458	3.8
217.03520	1.3
303.07175	2.4
320.90652	0.3
321.08353	0.5
323.15411	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	419.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29019	2.1
59.01407	14.0
71.01401	5.8
72.99336	4.6
76.41943	2.6
84.06293	2.4
84.67358	2.4
85.80831	2.5
89.02455	3.6
89.24258	2.4
93.03423	3.0
99.26640	2.5
104.20553	2.7
112.98831	39.9
113.99596	23.3
126.90194	2.5
128.07481	2.3
136.86742	3.2
141.99081	3.2
150.65955	2.5
151.99400	2.4
152.26604	2.5
158.14136	2.5
161.02451	15.5
161.62640	2.5
172.00169	12.2
176.04755	19.1
179.03499	29.7
189.01920	2.6
191.05650	6.1
191.07219	10.7
194.05869	64.1
201.74577	2.6
209.08246	97.4
279.08728	4.5
323.07803	100.0
339.10809	3.2
353.08847	3.3
383.09933	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
63.99630	4.7
65.02538	4.3
92.10764	9.3
103.24824	4.7
142.01709	4.9
147.02991	5.2
148.59955	4.9
255.23412	6.9
332.31250	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	417.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97112	0.4
56.36964	0.5
59.01393	100.0
73.80970	0.5
80.13526	0.4
81.41360	0.5
91.01295	0.5
127.54735	0.5
128.10646	0.5
179.09267	0.5
193.93065	0.5
265.47418	0.6
278.22855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1561
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
54.91076	1.1
56.00330	1.1
59.01394	3.6
60.39849	1.2
61.35653	1.2
62.80930	1.3
64.55013	1.2
71.01389	1.6
74.18404	1.3
87.67519	1.3
92.10098	1.6
97.48235	1.4
109.02967	7.6
121.03004	1.9
123.00896	7.3
137.02441	23.8
139.00352	1.5
151.00375	40.4
151.03984	2.9
152.01241	5.9
152.04724	1.8
166.02721	100.0
167.03456	5.8
175.03970	1.7
177.01917	3.4
181.05080	89.0
195.93076	1.6
205.08705	1.8
359.11475	3.6
387.10980	22.1
402.13098	10.7
417.15631	27.2
424.43472	1.9
428.76804	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03477	0.6
59.01387	16.1
60.99324	0.6
61.37388	0.5
66.94758	0.6
71.01379	9.3
72.99303	3.4
73.02957	2.6
79.10876	0.6
81.29614	0.6
83.01369	0.9
85.02948	6.9
89.02458	6.6
92.10122	2.7
93.03461	43.8
96.96051	1.0
97.95087	0.7
99.66166	0.7
101.02441	7.0
101.22581	0.7
103.03992	1.0
109.02963	1.1
113.02458	3.9
119.03497	1.4
121.02954	1.1
124.60854	0.6
128.52112	0.6
133.53226	0.6
135.04515	4.0
135.06638	4.2
136.01660	7.2
136.04852	2.6
136.84406	0.7
137.02454	100.0
138.02728	0.9
146.00505	0.7
163.04015	0.7
168.61205	0.7
173.04567	3.4
174.04938	3.3
179.03537	14.9
180.03847	1.0
191.05611	3.8
192.05998	1.3
195.10435	0.8
209.04541	1.0
239.05629	6.3
281.06509	1.6
354.09256	2.5
355.09570	0.8
417.14090	72.4
418.14520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82233	1.9
54.91346	1.6
59.01388	75.8
60.18540	1.8
61.98832	40.7
71.01383	38.1
73.02940	21.6
78.91915	1.9
85.02978	8.6
87.00890	2.6
87.31570	1.9
88.17591	2.0
89.02446	100.0
92.10725	4.2
93.03494	10.2
96.96038	8.4
99.00878	29.3
101.02438	26.0
113.02482	2.6
113.70587	2.1
121.12615	1.9
123.04526	2.2
131.03520	11.9
134.62282	1.9
137.02483	11.6
139.00470	2.3
149.04558	46.4
161.02405	2.2
165.92317	1.9
191.05644	31.1
192.06038	7.5
221.06660	2.3
251.07797	2.4
417.13608	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	417.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45189	1.0
56.83534	1.2
57.40866	1.0
59.01383	69.4
59.32044	1.0
61.98830	8.9
67.41228	1.0
71.01382	47.0
72.99310	2.2
73.02940	15.8
73.95782	1.0
77.57529	1.1
85.02964	8.4
87.00869	1.7
89.02440	100.0
93.03454	1.9
96.96007	27.0
96.96959	1.9
99.00871	31.8
99.01437	1.8
99.92573	2.2
101.02453	30.2
112.45019	1.1
113.02449	5.4
116.92863	28.9
119.03513	2.0
125.02480	2.1
131.03505	13.1
135.04631	1.0
137.02423	1.7
142.72211	1.1
143.03461	1.5
149.04562	47.6
151.85329	1.2
161.04590	1.2
191.05627	59.0
191.07362	2.5
192.05986	38.1
192.07684	1.8
213.16183	1.1
219.12141	1.1
221.06752	5.8
251.07713	2.1
293.08945	1.8
303.64709	1.2
311.09851	2.0
354.09229	6.1
381.17615	5.1
399.51556	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	417.1201
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
54.17582	1.1
56.45061	1.1
59.01389	6.8
59.02394	1.0
62.15851	1.3
64.42381	1.1
71.01365	1.5
74.51180	1.1
74.52579	1.0
85.02941	1.3
91.01888	5.0
93.03439	1.6
96.99316	5.3
101.56126	1.2
109.02966	6.4
117.03472	1.6
119.04980	1.4
121.02956	18.4
123.04504	2.4
124.01678	1.9
130.06192	1.2
130.10570	1.6
132.02150	2.1
134.03769	29.3
135.04518	2.3
137.02553	1.6
145.02950	6.5
146.03752	11.8
147.04556	11.2
149.02464	19.7
153.05579	3.2
158.03720	7.7
159.04579	12.1
160.01640	2.1
161.02448	7.8
161.06050	1.8
162.03276	5.2
163.04071	9.0
164.04829	11.4
173.02426	1.5
173.04701	1.5
173.06134	2.8
174.03178	6.0
175.04065	2.8
176.04756	6.4
178.02808	2.9
187.04066	1.4
189.05664	9.9
191.05629	5.2
191.07164	1.7
193.05118	6.5
208.03709	1.7
223.06172	6.8
253.04976	1.3
265.05087	1.6
267.06519	1.5
271.06073	1.5
281.04630	6.6
282.05292	5.0
283.06094	1.4
296.06866	8.3
297.07764	8.0
298.08459	2.5
299.09277	2.6
310.04852	7.1
311.09390	12.3
312.10089	2.9
313.10831	1.9
325.07254	12.5
340.09549	8.2
345.92215	1.4
355.11920	7.8
369.06314	1.9
399.10873	2.6
417.12006	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	417.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13582	0.5
50.86619	0.4
51.19334	0.5
52.82083	0.5
56.32913	0.5
59.01394	2.8
61.98844	0.8
67.58839	0.5
69.57378	0.5
71.01396	0.8
83.14014	0.6
93.03431	0.8
97.50626	0.6
108.02208	1.0
109.02966	89.7
115.05577	0.7
119.05028	4.0
121.02972	3.1
123.04572	4.7
129.03481	3.5
130.04272	0.7
131.05083	1.1
135.04529	2.7
137.02448	0.6
145.02982	1.1
146.03798	4.4
147.04544	37.8
152.01180	0.6
158.03760	4.3
159.04533	100.0
161.06183	0.9
166.02724	0.9
175.04077	1.0
191.05644	3.0
211.07773	0.7
212.26514	0.7
219.03024	0.7
239.07358	0.7
251.07285	1.1
252.07983	4.7
267.06680	0.8
268.07294	2.9
269.08240	46.3
315.64206	0.6
357.06122	3.7
370.56516	0.6
390.24524	0.6
402.09717	1.0
417.12277	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80853	0.3
54.06372	0.3
58.21653	0.3
59.48709	0.3
60.60904	0.3
60.72982	0.3
61.98835	100.0
63.05158	0.3
76.96856	0.3
96.95995	0.8
98.46861	0.4
191.05643	5.7
213.07501	0.3
356.15427	0.6
394.36246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88501	0.7
54.82817	0.7
55.66939	0.6
59.01385	34.2
60.01729	5.4
61.01809	9.5
61.98834	100.0
66.67872	0.8
71.54472	0.7
71.89899	0.8
86.26833	0.9
92.72448	0.8
127.98543	0.9
135.04529	1.2
139.50369	0.9
163.11305	1.8
164.08502	1.0
164.11646	1.9
177.09216	7.2
178.09610	4.0
179.10770	6.3
180.11185	1.8
184.34361	0.9
298.15863	1.2
299.16013	3.6
338.22003	6.8
340.20389	1.0
341.20892	11.0
356.23215	11.7
416.32877	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	416.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98666	0.6
55.01468	0.8
57.03456	1.3
59.01394	3.3
61.98837	16.9
67.01915	4.5
67.03513	0.8
69.03484	1.0
69.26386	0.7
71.01402	3.8
82.80637	0.7
83.05032	1.1
83.66686	0.7
85.02973	9.1
87.00876	1.7
93.03467	33.6
96.86109	0.8
109.02922	1.5
111.00881	1.6
111.04530	6.6
116.01002	0.7
127.04036	1.8
133.02980	1.0
134.03751	3.2
135.04533	86.9
137.02448	7.4
155.03514	4.8
161.02396	3.2
173.04564	100.0
179.03516	70.2
191.05635	60.3
229.59618	0.8
332.88132	1.0
337.72137	0.9
353.08832	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79336	0.2
59.01401	1.1
61.98840	11.7
63.51136	0.2
80.29863	0.2
85.02962	6.8
87.00891	1.7
93.03461	3.0
109.02977	0.5
111.04520	0.5
127.04044	2.1
134.03720	0.4
135.04523	1.7
153.54726	0.3
161.02464	1.9
163.69380	0.3
173.04541	1.4
179.03491	1.4
191.05641	100.0
192.06061	0.3
213.95526	0.3
353.08850	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	415.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20883	0.1
57.97069	0.2
59.01388	100.0
64.10555	0.2
115.95103	0.2
191.67731	0.2
209.35765	0.2
224.14236	0.2
239.11966	0.2
250.97694	0.2
302.06509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.59220	0.5
82.76411	0.5
103.24114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77665	1.3
56.36789	1.3
59.01385	3.8
59.47012	1.6
75.00821	1.6
116.92878	6.2
145.02933	3.1
152.99525	2.9
154.15227	1.7
187.82216	1.8
265.52075	1.8
279.23364	19.5
415.32211	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	415.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85608	1.3
72.84900	1.5
74.99104	7.1
77.00666	72.0
77.65286	1.3
85.90863	1.2
103.72859	1.4
118.69209	1.3
147.08223	1.7
152.99516	3.2
161.09639	1.9
163.11263	1.9
187.11275	3.1
271.22864	1.5
279.23352	14.2
309.22287	1.8
337.21817	100.0
338.22269	1.8
404.32672	1.6
415.23145	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	415.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97182	2.7
53.81984	2.6
55.01897	3.7
59.01387	95.3
59.01654	5.2
63.52672	2.6
68.02617	2.8
69.03443	3.1
71.01386	68.1
72.99284	3.0
73.02962	29.4
85.02988	4.9
87.00884	3.5
89.02444	100.0
92.10825	3.6
99.00894	29.2
101.02448	36.2
113.02488	12.5
127.41450	3.5
131.03513	14.2
149.04575	46.4
161.04637	5.2
165.03928	5.4
191.05620	17.0
191.08632	3.6
191.34464	3.1
206.05998	4.1
283.11771	6.7
337.32141	3.4
389.03857	3.9
415.16138	17.5
426.07199	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	415.1618
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01893	0.6
55.84908	0.5
58.00609	2.5
59.01385	89.8
65.54537	0.6
69.03470	0.7
71.01383	60.1
72.99326	3.6
73.02946	25.3
77.67248	0.5
78.16467	0.6
80.93564	0.6
83.01401	1.1
83.18475	0.5
85.02956	8.3
87.00943	0.7
89.02441	100.0
95.01395	0.6
97.02974	0.6
99.00878	39.5
101.02447	29.8
113.02446	9.8
119.03516	6.1
125.02442	4.9
131.03500	14.5
149.04567	42.3
161.04562	2.8
179.05627	1.3
191.05669	12.3
198.51013	0.6
221.06683	1.2
251.07664	2.9
255.95204	0.7
293.08792	0.7
317.55737	0.6
351.33276	0.6
415.16138	9.8
431.04724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1616
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.33387	3.1
59.01394	100.0
59.21083	2.8
60.26741	2.8
71.01393	61.7
73.02959	25.8
89.02451	97.3
92.10799	7.1
92.65599	3.1
92.96699	3.1
99.00877	31.0
101.02455	44.2
113.02474	19.5
119.03513	4.8
131.03485	6.1
146.36092	3.1
149.04568	38.8
155.78860	3.4
161.04613	6.4
165.03789	17.0
191.03664	2.9
191.05624	14.7
216.03180	3.4
221.08347	4.1
228.10173	3.3
253.05638	3.6
283.11880	15.4
415.16278	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66035	0.5
57.03453	1.0
59.01392	9.1
71.01385	5.4
71.01723	0.6
73.02946	0.9
80.51490	0.6
81.03465	3.0
84.28574	0.5
85.02959	5.7
89.02501	0.8
93.03458	2.8
95.01379	3.0
96.95975	1.4
97.54540	0.5
99.00842	0.9
101.02453	1.2
108.02174	100.0
109.02953	84.4
111.91518	0.6
113.02467	2.2
121.02936	1.1
123.00866	3.9
123.04505	0.7
125.02469	0.7
151.03958	0.8
152.01152	87.5
153.00677	1.2
153.01938	37.2
163.03966	0.9
165.01924	1.1
167.03488	0.7
179.15166	0.6
191.05550	0.7
194.17883	0.7
240.41737	0.6
297.06219	0.7
315.07214	3.9
357.08395	9.2
397.11664	4.4
415.12506	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.5
57.03457	3.4
59.01384	51.2
61.78682	1.8
71.01385	55.7
73.01175	17.9
73.02953	31.0
83.01404	8.5
85.02954	32.2
87.00862	3.0
89.02441	17.1
95.01418	4.1
99.00874	8.6
101.02441	57.3
103.02236	20.4
111.30875	1.9
113.02457	21.9
116.92858	4.1
117.01978	4.2
121.03297	50.8
125.02430	1.9
125.56003	1.9
143.03593	2.2
159.02979	3.0
161.04555	20.5
191.05606	14.5
193.07161	26.1
209.04915	41.8
223.08214	12.3
326.00943	2.0
355.12537	100.0
369.14151	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	415.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82900	0.2
51.94071	0.2
54.28100	0.2
57.95054	0.3
59.01382	2.5
61.96636	0.2
67.01897	0.4
69.54755	0.2
71.01386	1.9
71.73177	0.2
72.99305	0.4
73.02949	0.6
77.23442	0.2
78.34140	0.2
81.03462	0.2
83.05035	0.3
85.02953	12.5
85.43342	0.2
87.00873	3.1
88.46501	0.2
93.03459	3.5
99.04529	0.4
101.02467	0.6
107.76900	0.2
109.02964	1.1
111.00898	0.3
111.04533	1.5
113.02474	0.3
115.22263	0.2
127.04029	2.9
135.04866	0.5
135.65524	0.2
141.37659	0.3
161.04567	0.3
171.03018	1.0
173.04584	1.7
191.05635	100.0
192.05930	0.9
199.57057	0.2
222.82693	0.3
223.06447	0.5
355.12549	1.2
384.36597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.4
59.01380	4.2
59.50728	0.3
61.82122	0.3
63.27502	0.3
69.03487	0.4
71.01390	3.2
72.99319	1.2
73.02942	0.3
83.05063	0.5
85.02951	14.0
87.00878	3.9
89.02458	1.3
93.03437	4.0
96.29862	0.3
101.02447	0.8
109.02983	0.8
111.04515	1.3
113.02451	0.6
115.00394	1.3
123.33283	0.3
127.03997	3.0
133.01433	1.8
149.04631	0.3
155.03474	0.4
171.03009	0.7
173.04587	1.7
191.05647	100.0
192.05920	0.4
193.23174	0.4
201.58405	0.4
355.12460	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	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56675	0.5
51.44169	0.5
51.94434	0.5
58.08915	0.6
58.75367	0.7
59.01393	100.0
86.40588	0.6
91.47718	0.7
108.93095	0.8
138.34358	0.8
169.94453	0.7
182.80049	0.9
337.56860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
63.37579	1.1
70.39445	1.1
96.09692	1.3
206.49893	1.4
423.13525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3067
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
50.32419	1.7
59.01381	4.4
59.95362	1.8
61.15797	2.0
95.53522	2.1
253.37439	2.5
273.11475	3.0
277.21671	14.6
413.30737	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	414.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10766	0.5
59.01388	33.1
60.01719	5.4
61.01820	8.9
61.70403	0.5
61.98836	100.0
62.02147	0.6
89.79564	0.7
109.72810	0.6
143.23512	0.7
279.23279	2.4
373.05457	0.7
384.84753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27308	0.6
55.01891	3.7
57.03474	1.2
59.01386	25.8
62.87066	0.8
66.38629	0.8
71.01381	30.8
72.99323	1.0
73.02950	18.4
83.01390	8.2
85.02950	16.0
89.02451	8.5
95.01405	1.2
96.73733	0.7
97.02999	1.2
99.00873	6.3
101.02441	35.3
110.52218	0.9
113.02451	15.3
119.03509	0.9
125.02414	1.7
129.01968	1.1
143.03529	1.6
159.03018	3.1
161.04556	12.3
213.83310	0.8
213.85365	0.9
216.05075	0.8
221.10341	49.7
312.20801	0.8
340.64041	0.9
353.14584	100.0
354.15045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88061	0.7
55.01887	4.6
55.59658	0.5
57.03460	2.9
59.01386	29.5
60.52471	0.6
62.64757	0.7
67.53085	0.6
71.01385	31.2
72.99328	1.1
73.02950	22.0
80.32662	0.7
83.01393	6.4
85.02956	17.7
86.00101	1.1
87.00893	1.2
89.02459	9.0
95.01385	1.5
96.96011	1.5
97.02958	0.8
99.00887	6.6
101.02444	43.5
104.28931	0.8
111.00956	1.1
113.02456	17.7
119.03551	1.3
131.03485	1.8
143.03461	0.9
159.03021	4.3
161.04581	15.3
205.66240	0.7
221.10335	53.8
353.14597	100.0
366.91983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64529	0.8
57.03464	1.7
57.62288	0.9
57.83971	0.8
59.01385	25.7
59.01652	1.3
59.33257	0.9
61.05570	1.0
65.03976	2.5
67.01911	2.3
71.01382	16.2
73.02981	2.0
79.40688	1.0
81.03481	2.0
83.05064	1.2
85.02957	23.0
85.03388	1.3
89.02439	15.8
92.10151	1.5
93.03479	2.4
97.02985	1.3
97.69897	1.1
99.00885	1.3
99.04559	1.3
101.02452	19.9
109.02946	9.5
111.00889	22.2
111.04554	1.1
113.02447	4.2
119.03541	5.9
120.99680	1.6
121.02956	100.0
125.02533	0.9
127.04029	1.5
129.01949	62.5
130.04228	2.4
133.06555	1.3
135.04533	1.9
141.41855	0.9
143.05127	1.3
145.02959	1.8
145.06630	9.6
145.07634	1.1
147.02921	1.1
153.01949	5.1
161.02420	4.2
161.04803	1.6
161.06049	10.5
171.03030	4.0
189.05569	9.9
191.05666	3.7
233.04565	4.2
251.05565	18.1
251.07538	1.2
296.33508	1.0
323.07877	2.3
353.08868	12.7
413.10867	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	413.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27522	0.9
56.82979	1.0
59.01387	25.2
67.36192	1.0
71.01382	20.7
72.99326	2.1
73.02970	4.6
75.00875	83.6
80.75534	1.2
82.39761	1.0
85.02955	18.9
85.90098	1.1
87.00900	2.1
88.14020	1.1
89.02433	13.5
99.00842	1.5
101.02455	20.2
101.45251	1.2
107.69505	1.2
109.02957	2.8
111.00895	9.9
113.02431	8.5
117.01975	1.4
117.03476	30.0
119.03519	2.3
119.05051	8.0
121.02965	54.1
129.01952	32.0
131.99886	1.2
132.02182	9.5
133.02965	2.5
134.03752	43.6
145.02972	100.0
145.06570	2.3
147.04523	2.0
149.06117	1.7
153.01988	2.0
160.00418	2.1
160.01678	45.8
161.02475	9.8
163.04045	9.9
175.04018	37.7
189.05605	1.8
193.05080	14.5
219.05026	1.3
233.04559	2.3
235.06146	2.6
237.06209	88.1
251.05658	9.5
337.09604	1.3
353.08896	6.8
413.10236	45.2
413.14966	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44136	0.3
59.01393	100.0
62.32305	0.3
62.94149	0.4
63.56181	0.4
68.03625	0.3
68.70602	0.3
70.04104	0.4
73.44859	0.3
79.15047	0.3
88.87021	0.4
96.79906	0.4
97.25499	0.4
107.16383	0.4
118.86520	0.3
184.91321	0.4
396.82831	0.5
423.09073	0.5
426.20422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
68.86745	1.0
71.83115	0.7
76.72204	0.8
318.49014	0.8
395.12375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82102	1.8
55.01892	13.4
56.46932	2.0
56.47430	1.9
57.03460	10.1
59.01389	84.5
61.92108	1.7
69.03472	2.5
71.01389	81.5
71.05438	1.8
72.99319	2.8
73.02953	47.6
83.01424	20.3
83.37927	2.2
85.02975	58.6
87.00904	4.6
89.02464	14.9
92.10636	14.5
93.03475	8.4
95.01435	8.4
96.96031	7.8
97.02995	2.5
99.00897	13.5
101.02452	83.3
113.02460	26.8
115.04006	2.6
117.01854	2.0
120.99673	2.4
125.02467	4.5
125.85247	2.1
138.79088	1.8
141.45468	2.2
146.44980	2.0
146.69330	1.9
147.21538	2.0
159.03015	2.4
161.04585	30.4
191.05653	31.3
192.00427	1.8
195.19969	1.9
230.50902	1.9
233.06689	4.0
259.70197	2.1
279.14532	82.0
351.20255	11.1
360.70718	2.1
375.16498	2.5
411.13208	7.4
411.18768	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	410.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20243	14.2
61.98835	93.3
75.77790	13.6
90.76996	14.2
92.65193	16.4
95.12280	15.5
99.92599	31.2
100.92609	17.7
105.81915	13.4
116.92111	18.4
116.92884	100.0
117.92886	27.7
139.00047	14.3
145.22037	18.1
166.27820	13.9
166.88911	15.4
186.42242	16.0
276.27029	15.5
282.59705	17.6
336.54169	17.4
425.60217	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	409.2603
Annotation	Betaenone F
Peak:m/z	Relative Intensity
59.01389	100.0
61.98826	0.5
64.40225	0.3
74.42770	0.3
77.02168	0.3
78.91881	1.3
80.14164	0.4
83.79774	0.3
92.92036	0.3
114.14838	0.4
116.56866	0.3
158.16029	0.3
294.33762	0.3
305.11206	0.3
349.23746	3.9
351.30481	0.4
374.22543	0.4
409.25955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2366
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
51.06791	0.4
54.82468	0.5
59.01384	2.3
61.98843	0.4
63.94370	0.4
65.15826	0.4
75.38165	0.4
78.95904	70.6
91.87452	0.4
96.96967	5.5
103.40556	0.4
109.97945	0.5
150.97992	2.0
152.99600	100.0
170.63208	0.4
171.00673	1.9
202.58675	0.5
223.72258	0.5
234.77611	0.5
255.23318	2.3
313.92001	0.5
333.27994	0.4
409.23697	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	409.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01398	47.8
61.98851	2.0
64.70826	1.8
74.76058	2.0
75.79604	2.0
78.21419	1.9
80.91682	22.3
85.02982	3.9
86.89462	2.0
92.10101	2.4
97.02938	4.9
153.84261	2.2
165.12852	27.3
171.10257	12.3
171.76460	2.4
179.10693	2.8
183.13991	2.6
185.11873	3.1
193.08455	13.7
193.12283	3.3
205.12062	4.1
207.10101	21.2
211.13428	20.5
219.09923	4.2
221.11734	18.9
229.14534	9.9
231.09979	12.7
233.11620	100.0
249.09631	2.6
249.11182	9.7
251.11105	27.8
261.11203	17.3
271.84705	2.3
313.18027	4.4
327.21835	41.6
331.18866	10.7
349.19992	91.2
406.58710	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	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09808	1.9
59.01385	100.0
64.36268	2.0
68.61108	2.1
71.01380	66.3
72.99306	3.7
73.02941	23.6
85.02960	17.7
89.02436	80.4
93.03464	9.7
99.00881	35.6
101.02441	31.1
106.41315	2.1
113.02469	13.1
119.03494	5.0
125.02477	2.9
131.03499	13.2
133.02968	18.1
135.04594	7.7
149.02463	4.2
149.04576	38.0
150.03241	22.3
159.04892	3.2
161.04610	4.7
165.05568	24.9
173.04570	2.9
177.01981	3.2
179.03499	3.5
191.05606	25.5
195.06555	5.0
277.12979	4.6
351.07263	3.5
409.17108	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.9
61.63412	0.3
61.98840	100.0
74.25674	0.3
85.02985	0.4
92.60950	0.3
119.75861	0.3
146.24423	0.3
153.66367	0.3
231.94203	0.3
293.62885	0.4
307.69028	0.3
310.07858	0.3
334.96994	0.4
401.73526	0.4
414.31009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
59.75296	0.4
61.98835	100.0
66.15866	0.3
94.85890	0.4
96.96017	0.7
96.96919	0.5
99.92583	0.7
101.78418	0.4
115.92091	3.0
116.92934	0.5
171.40413	0.4
213.83949	0.4
250.41577	0.4
262.62546	0.4
310.20932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.169
Annotation	alpha-MANGOSTIN
Peak:m/z	Relative Intensity
53.39505	0.5
56.58127	0.5
59.01386	7.6
61.98842	8.2
71.56409	0.5
77.58109	0.5
79.95741	1.0
92.10177	1.2
92.64731	0.7
96.96008	100.0
114.87508	0.5
195.57933	0.6
235.96793	0.6
378.72244	0.6
401.21524	0.7
409.16980	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32016	1.3
56.99335	1.7
59.01386	16.7
59.94098	1.3
60.47540	1.5
70.31098	1.6
71.01403	6.9
72.99328	7.0
73.02950	1.6
75.00876	100.0
75.01305	3.3
85.02978	1.5
85.86368	1.6
89.02456	7.7
96.96011	40.5
96.96966	2.4
98.95620	1.9
99.92506	1.5
101.02487	3.1
113.02496	1.6
116.92874	3.8
119.03526	2.5
127.04021	2.0
134.99542	1.6
140.66103	1.7
165.05594	1.8
192.38025	1.9
409.12268	1.9
409.17303	42.6
416.97083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2207
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01387	2.7
78.95903	100.0
80.87357	1.5
96.96948	11.7
137.15407	1.4
152.99603	66.5
153.94972	1.6
164.57257	1.9
165.89903	1.7
171.00652	48.8
183.01204	2.2
201.52870	1.6
212.19791	1.6
251.45285	1.8
325.18411	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	407.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03449	0.5
53.17466	0.6
53.34375	0.5
59.01387	100.0
61.98846	0.6
90.50597	0.6
96.96034	1.0
121.66685	0.7
141.81319	0.7
156.22787	0.7
166.90152	0.7
307.59482	0.7
325.20154	1.2
329.21332	3.5
347.22397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2438
Annotation	Dendronpholide D
Peak:m/z	Relative Intensity
51.54642	1.1
59.01386	100.0
59.68864	1.3
78.68321	1.2
80.19186	1.2
84.75055	1.3
103.55743	1.4
110.55747	1.6
112.12791	1.5
134.19606	1.3
292.84952	1.3
303.19666	2.3
307.78247	1.4
347.18646	1.8
347.22186	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	407.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	2.9
58.06147	0.7
59.01387	100.0
61.98841	2.9
63.74994	0.6
69.53542	0.7
79.86198	0.6
83.05043	3.8
97.07724	0.7
101.82552	0.7
136.18446	0.6
193.12349	3.9
267.17581	0.8
273.18585	1.1
280.77319	0.8
285.18698	1.0
329.21283	14.2
347.22324	17.8
425.69397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22824	0.2
54.92267	0.2
59.01384	2.5
60.01723	0.3
61.98839	100.0
79.95789	0.3
82.06059	0.2
92.66333	0.2
96.96013	7.4
102.05187	0.2
127.38061	0.2
149.90280	0.2
160.04622	0.2
250.64696	0.2
346.62549	0.2
370.65103	0.2
381.96252	0.2
409.16959	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00922	0.3
55.45808	0.3
57.03457	0.4
59.01384	100.0
59.95840	0.4
61.98825	0.5
85.06596	0.7
93.11241	0.4
121.02979	0.4
129.37761	0.4
152.25723	0.4
209.19153	2.0
211.16957	1.7
214.45108	0.4
225.18602	1.7
257.21249	0.7
271.22894	0.5
299.25995	0.5
309.20673	0.4
341.28485	2.4
345.30194	22.7
361.31244	0.4
369.20709	0.4
387.29333	1.6
405.24896	0.6
405.30176	14.8
408.48758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98819	4.4
69.29507	3.8
71.01379	35.0
73.02941	59.5
77.05110	3.8
85.02974	18.0
89.02460	25.0
92.10671	6.2
93.03474	5.2
96.96045	5.3
99.92633	4.3
101.02460	23.6
113.02467	7.9
116.11909	3.7
116.14499	4.1
117.25560	4.4
119.03490	4.0
123.04565	4.6
135.04527	4.9
148.01741	7.7
149.02473	7.5
150.03276	41.1
153.05588	6.7
163.03998	9.9
165.05589	27.1
166.02696	5.7
179.03540	4.6
181.05061	7.6
194.05862	5.9
195.06638	5.4
211.06111	17.3
261.80972	4.2
328.22021	4.9
407.19366	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68638	15.7
59.01392	100.0
64.34618	22.3
104.15079	15.7
141.95436	13.9
161.51352	14.4
255.03027	16.1
282.78378	15.6
284.58469	19.7
429.62051	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	405.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74503	46.9
59.01400	100.0
61.98850	46.8
79.23197	52.2
79.88231	48.8
140.78755	58.2
156.22256	62.7
203.48663	54.5
240.81989	54.4
362.64661	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68638	15.7
59.01392	100.0
64.34618	22.3
104.15079	15.7
141.95436	13.9
161.51352	14.4
255.03027	16.1
282.78378	15.6
284.58469	19.7
429.62051	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	405.2286
Annotation	12-O-Acetyllineolon
Peak:m/z	Relative Intensity
57.03464	0.3
59.01394	100.0
61.98841	1.6
67.34272	0.3
76.77801	0.3
93.73595	0.2
190.19293	0.3
203.10739	2.3
285.18588	1.4
287.36261	0.3
297.18604	0.4
309.18619	0.4
327.19742	1.3
343.19284	2.2
345.20789	10.8
389.19836	0.5
405.22961	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	405.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17624	1.8
59.01394	100.0
61.98856	4.8
67.41217	1.8
75.00880	36.9
81.73936	1.9
240.22948	1.9
242.63896	2.3
254.43513	2.3
296.26389	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2288
Annotation	Strophanthidol
Peak:m/z	Relative Intensity
59.01387	100.0
60.04703	0.3
61.98840	0.5
95.05056	0.4
96.77255	0.3
113.06107	0.6
121.06620	0.4
123.08213	0.4
198.55017	0.3
222.74922	0.3
290.30988	0.3
327.19757	3.4
345.20786	4.0
355.92831	0.4
374.82938	0.4
380.11511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22867	0.6
59.01384	1.6
61.98835	100.0
72.75971	0.7
94.28305	0.6
107.04839	0.8
108.90298	0.7
111.00571	0.6
124.72942	0.7
133.66246	0.6
153.67776	0.7
183.92575	0.8
258.54251	0.8
271.12726	0.7
298.45596	0.8
328.32251	0.7
372.01355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.94138	0.6
83.55899	0.5
96.96017	13.4
98.00508	0.6
98.12000	0.7
98.95619	1.1
150.03157	1.1
153.01952	6.0
153.05595	1.0
168.04301	4.8
179.17609	0.7
183.06641	19.1
203.12691	0.7
243.08757	1.0
405.14047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03109	0.2
58.88346	0.2
61.98837	100.0
63.37057	0.2
70.54686	0.2
72.48104	0.2
74.39864	0.2
130.99236	0.2
151.09119	0.3
153.48851	0.2
225.19774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45484	0.3
57.24480	0.4
59.01390	0.6
61.98839	14.9
69.25687	0.4
96.96044	0.4
109.02990	0.6
145.03011	0.4
149.02449	0.7
154.82037	0.4
184.05292	0.4
196.07648	0.5
199.07729	2.3
214.08752	0.8
215.07368	0.5
224.07263	1.0
226.05101	4.5
227.05914	4.7
240.06740	1.7
241.07504	0.8
242.08275	100.0
243.08551	0.8
404.13712	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	403.2496
Annotation	plakortolide S
Peak:m/z	Relative Intensity
51.91531	0.7
52.50611	0.7
59.01386	1.7
61.98851	0.7
92.65431	0.8
102.63706	0.7
117.03465	19.5
117.10744	0.8
119.05031	36.1
121.02930	1.2
144.19894	0.7
145.02968	100.0
156.32129	0.9
157.21341	0.8
163.04019	18.5
190.47205	0.7
257.21198	8.7
334.65628	0.8
403.24963	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20828	65.6
61.03389	66.6
66.73202	63.1
78.12507	62.6
92.10154	100.0
101.57239	71.4
106.28961	65.7
114.97418	76.4
122.25539	78.5
244.52252	68.5
339.84229	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47373	11.1
51.66102	11.0
53.00145	9.5
53.88952	9.2
54.06400	9.9
59.01381	100.0
60.67821	10.5
61.43820	10.6
64.25452	11.2
65.23381	11.8
65.34424	10.9
75.67762	15.0
79.59737	11.6
96.30844	16.5
119.55231	13.5
136.43073	13.2
150.78592	13.7
168.31772	13.6
352.20151	12.9
356.25443	12.9
358.88620	14.5
403.28799	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	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23830	17.3
58.42482	20.6
59.01393	100.0
78.81001	21.6
80.78961	18.9
83.00987	18.0
92.10862	25.0
196.87808	21.3
217.67784	21.7
221.13515	23.0
403.28381	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77607	1.2
59.01386	100.0
61.98844	6.8
66.13316	1.4
71.05009	1.7
73.02941	2.9
91.69759	1.4
97.57668	1.4
99.04552	6.6
101.19090	1.6
105.03471	2.2
108.54357	1.6
118.99569	1.6
123.08172	2.7
133.02953	30.4
134.03749	15.4
135.04610	2.2
137.02455	9.9
139.04045	2.8
159.08080	2.3
177.01906	9.1
178.02734	27.7
179.03424	2.5
201.09152	1.9
203.10818	13.6
213.04253	2.6
216.02122	1.6
232.48361	1.4
238.05168	3.3
250.29636	1.5
253.16019	2.3
267.65820	1.8
281.15356	1.8
300.27869	1.8
306.07507	38.1
313.23697	2.2
325.18073	6.8
331.25037	22.7
332.11810	2.2
343.19189	54.2
343.23438	1.7
374.09015	3.4
375.13821	3.4
403.13062	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2129
Annotation	Strophanthidin
Peak:m/z	Relative Intensity
51.61640	0.2
57.03458	0.7
59.01386	100.0
61.20731	0.2
61.72501	0.2
61.98837	2.5
62.62822	0.3
93.03464	0.6
95.05021	3.8
97.06587	3.3
105.03458	0.3
111.08146	0.5
113.06103	3.4
121.06613	1.4
124.05303	1.5
129.37541	0.3
133.02940	2.0
134.03784	0.6
137.02451	0.7
139.07683	5.3
159.06686	0.3
171.26555	0.3
173.08215	0.6
178.02689	1.5
179.03566	0.3
203.10820	0.6
240.11461	0.5
241.12370	1.8
255.14098	2.3
281.15567	2.4
299.16501	4.2
300.51883	0.4
306.07587	2.4
343.19186	8.5
414.16605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2131
Annotation	Cortisol 21-acetate
Peak:m/z	Relative Intensity
58.15300	0.4
59.01385	100.0
59.68948	0.5
123.08183	6.3
206.44296	0.6
207.93547	0.5
211.09729	0.6
252.73592	0.6
343.19257	8.5
367.34006	0.6
421.50226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64181	0.4
57.67829	0.4
59.01397	0.8
61.98838	100.0
90.17303	0.4
101.21754	0.4
105.09806	0.4
116.92816	0.7
126.43665	0.5
127.84539	0.5
148.30391	0.5
163.11302	10.4
240.50385	0.6
310.78931	0.4
339.23386	7.1
408.08685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.4
57.07187	0.3
58.99591	0.5
59.01392	10.9
71.01387	6.1
72.83213	0.4
72.99344	0.4
73.02969	0.7
74.99090	3.4
78.07902	0.3
83.01403	0.4
85.02973	2.4
89.02460	0.6
92.10158	0.6
93.03464	0.6
96.96007	2.9
98.95572	0.6
99.00919	0.6
101.02452	3.2
102.98597	0.7
113.02470	2.2
119.05024	100.0
120.05372	0.6
120.99651	37.1
135.04506	0.4
148.05316	1.8
153.00172	3.3
153.03796	1.6
161.04561	3.2
163.07700	0.5
181.08665	2.7
191.05592	0.6
195.03374	0.4
209.02756	0.9
213.03159	0.6
248.20450	0.4
358.03333	0.4
371.60202	0.5
403.10739	31.3
416.99255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1971
Annotation	Prednisolone acetate
Peak:m/z	Relative Intensity
53.07480	0.5
59.01388	100.0
61.84420	0.6
71.01397	2.7
89.02449	4.2
97.51808	0.5
116.47721	0.5
121.02968	72.0
134.65741	0.6
175.72716	0.5
179.05615	0.7
180.05885	0.8
181.06639	4.5
181.65224	0.5
192.72742	0.5
203.10788	1.2
225.05592	5.0
229.96562	0.5
245.69044	0.5
255.13997	0.7
264.11591	2.1
266.09518	2.5
279.13821	0.8
281.11823	0.6
283.13455	2.7
299.16501	1.0
305.15341	0.7
308.14188	2.3
313.07233	13.5
323.16620	2.2
340.16901	0.9
341.11276	4.0
341.17593	28.4
357.06131	5.5
384.33890	0.6
401.08844	12.1
402.08676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1459
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01902	8.5
57.03463	7.0
59.01383	81.0
71.01384	79.7
71.37952	5.3
73.02943	44.0
77.35799	3.9
83.01411	19.8
85.02959	58.0
89.02472	26.3
90.19570	4.6
95.01398	7.0
96.95999	52.1
97.02941	7.1
99.00895	20.2
101.02427	77.2
113.02440	40.7
120.99661	28.0
122.00118	5.0
161.04573	34.0
170.68430	4.5
179.05719	7.0
191.05583	7.8
262.68466	4.8
269.10333	78.9
341.10782	10.5
401.14563	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	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.4
59.01384	100.0
64.34801	0.9
71.01379	62.8
72.99310	2.1
73.02965	1.2
83.01405	2.1
85.02944	11.7
87.00858	6.5
89.02437	79.2
95.01377	2.0
101.02441	25.1
113.02454	24.8
119.03490	23.7
120.40536	1.0
125.02432	0.9
131.03488	4.0
143.03482	2.1
149.04561	1.8
161.04521	5.2
179.05641	22.2
179.07114	2.4
191.05684	10.7
196.83871	0.9
229.87575	1.0
265.07217	4.2
332.67572	1.0
341.10925	92.3
342.11237	0.9
401.10837	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	401.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79523	1.0
52.85537	1.0
55.01892	1.1
55.36068	1.0
55.69850	1.0
59.01385	95.6
65.04137	1.4
66.90544	1.1
69.74728	1.0
71.01384	61.8
72.99303	1.6
76.57590	1.7
78.23202	1.2
78.88161	1.0
83.01405	1.4
85.02956	13.0
87.00893	2.4
89.02443	90.7
92.10094	2.8
95.01388	1.7
96.96886	1.1
99.00921	1.5
100.87042	1.2
101.02435	31.8
113.02460	24.5
117.59611	1.2
119.03484	26.0
125.02421	1.4
143.03499	3.1
150.26610	1.4
155.06650	1.3
157.58475	1.3
161.04544	6.1
179.05638	25.4
191.05641	5.4
255.04478	1.5
310.62543	1.3
330.41913	1.3
341.10950	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	401.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92661	1.5
53.97089	1.6
55.04934	1.6
59.01384	3.0
65.01983	1.3
71.01383	8.8
72.99325	2.6
73.02953	9.1
85.02962	6.7
87.00877	81.7
89.02464	2.4
101.02420	2.6
103.66798	1.8
105.66219	1.8
105.91216	2.1
111.00835	2.2
113.02446	4.2
121.02971	3.4
123.00886	3.9
135.04564	4.3
138.03215	2.5
147.04512	2.3
149.02457	4.4
151.00267	3.0
151.04042	2.3
159.04529	2.5
161.02426	12.6
163.04062	31.3
164.04771	23.9
165.05519	8.0
166.02684	12.4
173.02448	2.8
175.04028	4.1
176.01172	2.2
176.04773	17.5
177.01939	4.2
177.05609	3.4
178.06367	27.7
179.03526	14.2
179.05693	2.8
179.07155	47.3
181.05063	10.1
187.04053	3.8
190.02748	2.7
191.03554	34.6
191.07135	9.6
192.04205	3.1
193.05058	11.6
193.08739	2.2
194.05876	13.5
203.03526	12.4
204.04289	3.3
205.05080	10.7
206.05884	13.1
207.06694	2.2
209.08237	12.1
218.05737	2.0
219.03024	7.7
220.03717	2.2
221.04575	4.0
221.08208	9.8
223.02663	1.8
231.02902	2.4
235.06183	3.5
237.07701	3.3
238.04822	2.3
247.02394	13.7
247.06158	3.8
249.07678	8.7
250.04958	2.5
251.09241	4.0
262.04712	15.6
265.07199	64.8
277.07196	37.6
295.08295	68.0
341.11331	1.8
355.10556	18.9
383.10114	3.8
389.31546	1.9
401.10947	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	401.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50014	1.3
59.01385	16.9
61.98846	1.8
64.34914	1.7
65.28368	1.2
70.89482	1.5
71.01383	14.9
72.99327	1.9
73.02955	7.5
73.67952	1.4
79.49300	1.1
80.52722	1.2
81.24253	1.2
85.02951	10.2
87.00880	85.1
89.02460	8.7
96.96013	2.7
97.02966	1.6
99.00900	2.5
101.02459	6.2
111.00886	2.2
113.02465	7.1
119.03540	5.8
131.03458	2.3
149.02477	5.5
151.00406	2.9
151.03993	2.6
153.05573	2.6
161.02446	6.9
163.03986	2.7
164.04811	25.3
165.05531	8.9
166.02739	16.3
176.04868	2.3
177.01979	6.3
179.03548	23.6
179.05704	3.7
179.07127	49.4
181.05069	15.4
187.04123	1.7
191.03487	3.3
192.04137	2.3
193.05074	9.1
194.05907	18.8
207.02895	1.6
207.06606	1.9
209.08229	25.3
219.03181	1.5
232.65907	1.6
234.05412	1.7
237.07756	6.9
249.07843	1.9
250.04799	2.1
261.07742	1.7
265.07205	82.2
273.07758	2.5
325.09369	24.0
341.10916	8.7
370.63171	1.6
401.10983	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	401.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34484	1.1
55.01892	1.6
57.03482	2.1
59.01400	28.6
67.01910	1.6
68.69288	1.4
71.01395	32.9
72.99318	7.7
73.02978	2.9
75.00894	20.8
79.92419	1.3
82.43395	1.2
85.02973	28.3
87.00909	9.8
89.02444	11.9
93.03485	1.9
95.01389	3.1
99.00894	13.0
101.02472	1.5
106.04266	1.5
107.05057	17.5
113.02470	36.5
115.00401	3.1
116.46867	1.4
117.01960	3.0
121.02986	1.6
123.04562	6.2
129.01926	1.5
131.03622	1.5
133.02939	7.8
144.33203	1.6
151.04059	18.2
176.80128	1.6
180.30136	1.3
187.93781	1.4
249.06177	29.2
267.04608	2.3
267.07257	43.1
341.11313	1.8
383.09778	2.5
401.10977	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	401.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01107	0.5
59.01388	9.2
61.98827	0.4
65.83734	0.3
71.01387	5.0
72.99284	0.4
73.02950	0.7
74.99104	0.3
78.95913	1.1
79.95733	1.1
81.03466	0.3
83.01413	1.2
85.02960	3.9
87.00890	0.4
89.02460	4.4
91.46893	0.3
92.10125	0.6
93.03454	1.8
96.96011	100.0
101.02446	3.1
109.02960	0.4
113.02478	2.2
119.03500	1.8
120.99637	0.7
121.02966	0.6
131.03564	0.4
139.04024	6.3
161.04504	0.4
172.86195	0.3
173.04517	0.4
179.05608	0.6
179.07054	0.3
191.05652	3.7
192.05919	0.3
195.05466	0.3
267.07047	0.4
269.10318	0.5
285.12466	0.3
341.10962	2.3
363.13013	1.5
365.18201	2.9
401.14850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60629	0.7
59.01394	8.8
59.24347	0.8
64.71122	0.8
71.01395	4.7
74.21317	1.2
81.82359	0.9
89.02448	6.7
92.10838	1.1
101.02467	3.7
105.03483	1.1
109.02950	45.7
113.02452	2.0
118.63931	1.0
119.03526	2.3
119.05029	5.1
121.02969	3.7
123.00907	1.2
125.02402	9.3
137.02444	6.5
138.03304	1.0
145.02991	12.0
146.03789	4.7
147.04524	13.8
158.03740	1.6
159.04445	1.6
161.02452	18.5
162.03242	2.3
166.02765	1.3
173.01079	1.8
173.02454	23.4
174.03191	6.8
175.04022	16.8
176.04802	2.2
179.05595	1.9
181.05052	1.5
191.05606	1.5
199.07597	1.2
209.06102	1.9
225.05887	0.9
227.07127	15.3
237.05563	14.3
255.06575	10.1
265.05124	13.3
266.05859	4.2
282.05716	1.5
282.08932	2.0
283.06122	63.1
297.07770	1.8
298.08463	50.3
313.10861	100.0
341.10889	9.7
357.09854	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	400.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12054	88.6
66.32069	72.1
73.53103	65.8
98.52667	78.1
179.85680	85.9
274.41510	77.7
285.33621	90.3
321.59555	78.0
404.63992	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	400.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.3
59.01388	2.5
60.26074	0.3
61.98835	6.3
61.99120	0.3
67.01909	0.3
71.01399	1.3
73.02957	0.3
85.02959	7.2
87.00892	2.0
89.02442	0.3
93.03461	4.3
99.68760	0.3
109.02965	0.6
111.04556	1.1
113.02511	0.3
115.64396	0.3
119.05042	1.5
121.03021	0.2
127.03989	2.2
145.02980	1.4
163.04076	0.9
171.03058	0.6
173.04561	1.6
191.05641	100.0
192.05971	0.5
337.09363	12.2
418.87231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14182	43.0
52.87320	35.9
59.01376	100.0
84.11142	41.8
86.54324	43.4
106.00845	49.0
123.60046	55.0
133.03859	47.7
141.20026	45.0
187.10216	48.9
201.24367	48.1
203.35413	53.1
231.29118	47.7
314.61862	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26394	0.5
56.87280	0.5
59.01394	13.5
61.29147	0.5
61.98843	100.0
71.01399	2.3
71.25504	0.5
73.02953	1.0
76.32572	0.5
85.02974	0.9
87.86054	0.6
89.02449	3.7
99.00871	2.5
109.02934	0.9
113.02468	0.8
115.00370	3.1
119.23981	0.6
122.06149	4.0
134.04201	0.6
149.06073	2.5
150.05600	3.0
161.02452	2.7
175.02530	1.0
175.04034	0.7
176.03595	0.9
177.01979	2.9
233.04504	2.8
277.03598	5.9
302.33282	0.7
319.04724	1.2
337.05716	1.4
400.05273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82752	6.7
59.01390	100.0
62.60817	5.9
84.03678	7.2
112.76150	8.1
127.32646	6.2
299.20135	49.0
339.20108	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	397.2059
Annotation	Sunitinib
Peak:m/z	Relative Intensity
59.01391	3.1
79.95731	0.7
96.96009	100.0
217.00327	1.6
397.20587	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
59.01392	4.3
60.99310	0.7
67.01897	8.5
68.64008	0.4
69.03459	1.3
69.16013	0.5
70.61281	0.4
71.01380	4.3
73.35963	0.4
74.75147	0.5
75.52280	0.5
76.80496	0.5
81.03471	0.5
83.05024	1.2
85.02978	1.1
93.03453	44.2
101.70362	0.5
108.02210	0.7
109.02966	2.2
110.06120	2.8
111.00936	0.6
111.04520	8.7
120.99651	1.0
121.02946	4.9
122.06121	2.9
128.59470	0.6
132.40955	0.5
137.02443	6.1
141.40300	0.6
144.04596	1.9
147.04564	2.3
149.01256	1.0
149.02452	26.8
155.03555	4.5
162.05571	0.9
164.04817	17.0
173.04556	100.0
179.07120	1.1
191.05635	2.4
223.06155	13.7
230.02437	0.6
270.60638	0.6
285.12347	0.8
298.42560	0.6
299.14035	1.0
317.14951	0.8
397.11487	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	397.1143
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
57.03471	0.9
59.01391	4.5
61.98866	0.6
65.80702	0.6
67.01902	7.2
69.03473	0.7
71.01383	5.3
81.03481	1.2
83.05034	1.0
85.02951	7.2
87.00903	1.1
93.03455	39.3
106.33083	0.6
108.02166	0.9
109.02940	5.3
111.04531	7.2
113.02442	0.6
120.25104	0.6
121.02962	3.4
127.04028	0.9
127.63084	0.6
135.04556	1.3
135.64787	0.6
137.02446	6.8
146.21980	0.6
147.04570	0.9
149.02449	26.7
153.01962	1.2
155.03526	4.0
159.04544	0.8
160.04810	0.9
164.04807	21.6
173.04567	100.0
179.07120	3.3
190.02701	0.9
191.05656	21.3
223.06105	13.7
271.08578	0.9
377.04132	0.7
397.11319	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	397.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42183	0.2
54.40612	0.2
54.82477	0.2
59.01382	2.6
64.34174	0.2
65.43072	0.2
68.92025	0.2
69.03471	0.3
69.72604	0.2
71.01375	1.7
72.99306	0.2
73.02962	1.0
81.03478	0.5
83.05047	0.3
85.02955	11.7
85.06605	0.4
85.52035	0.3
87.00868	2.8
93.03458	4.1
96.96017	0.3
98.95613	0.3
99.00897	0.5
99.04524	0.3
102.32329	0.2
109.02975	1.8
111.00882	1.0
111.04529	2.1
112.98828	1.1
115.00359	0.5
115.69881	0.2
124.18809	0.2
125.02425	1.2
127.04005	2.8
129.01915	0.3
129.05534	0.2
133.01431	0.5
137.02408	0.2
142.99881	0.3
153.01949	1.3
155.03566	0.3
165.84172	0.2
171.02980	1.2
173.00903	0.4
173.04535	2.4
191.05638	100.0
192.05997	0.3
198.14223	0.2
205.03537	1.4
205.07259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12386	0.9
59.01383	26.7
61.98845	1.9
71.01379	13.5
72.99313	1.6
73.02953	4.5
75.00885	1.0
83.01370	7.9
85.02976	6.4
87.00900	4.4
88.98834	2.3
89.02452	4.2
93.03477	2.1
99.00870	9.9
101.02447	3.6
101.06068	9.0
109.02939	12.0
112.80958	0.9
113.02474	4.7
115.00375	14.5
115.07649	10.6
119.05036	1.2
120.99643	1.2
121.02959	2.0
121.06582	2.4
123.01047	1.1
123.04536	1.2
126.42916	0.9
127.00362	1.1
131.05055	1.0
133.03011	7.1
135.04529	5.1
145.02983	3.7
147.04535	7.6
148.05321	2.2
149.02461	7.7
149.06090	100.0
151.06119	1.2
161.02454	25.8
161.04608	1.4
161.06088	1.3
163.04013	4.0
164.04811	6.1
165.05553	4.9
172.19392	0.9
174.03255	1.2
175.02481	8.5
175.04025	17.7
177.01945	15.2
179.03481	2.4
189.05690	1.5
191.03728	1.0
191.05629	8.0
193.05058	11.9
197.04584	1.8
199.09828	1.1
205.05093	1.5
206.02202	1.9
219.03003	23.6
223.06114	6.3
229.01305	1.1
233.04565	12.9
237.04041	33.1
239.05638	2.2
249.07788	1.3
275.05731	1.8
277.03610	10.3
293.06833	7.3
295.10294	2.1
296.06790	1.1
299.07590	1.1
319.04486	2.0
337.05728	40.8
337.18600	4.7
397.11569	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	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14490	67.6
61.98831	96.6
66.30083	67.7
67.38528	79.0
102.69151	78.6
132.75719	91.0
152.63887	79.7
209.04082	86.0
291.24225	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	397.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54089	0.2
54.82507	0.2
57.03467	0.2
57.35209	0.2
57.54626	0.2
57.70005	0.2
58.36379	0.2
58.52101	0.2
59.01386	4.3
71.01397	4.4
72.99317	0.4
73.02956	1.7
78.95916	0.9
79.95763	2.0
83.01383	0.5
85.02969	2.5
88.98801	1.1
89.02457	1.6
92.10826	0.3
93.03459	4.9
95.01417	0.4
96.77895	0.2
96.96014	100.0
99.00896	1.1
100.61031	0.2
101.02444	4.2
109.02936	0.2
113.02451	2.1
115.03976	0.3
125.02416	0.2
135.04530	0.3
137.02452	7.2
153.01947	0.5
161.04602	1.9
177.01886	0.4
209.01358	0.4
215.45200	0.2
234.99182	1.0
265.12976	2.7
299.07813	0.5
397.17157	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	395.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56571	0.5
54.63383	0.6
54.82712	0.7
59.01389	12.8
61.98840	11.4
64.14339	0.6
64.96134	0.6
72.33779	0.6
80.78678	0.7
80.91700	1.6
81.58936	0.6
84.95131	1.0
85.02950	0.7
96.96015	1.7
109.02949	3.3
117.94106	0.8
137.09692	0.8
153.01961	5.7
155.10828	3.6
171.10251	6.8
203.26698	0.7
241.00182	1.0
277.21628	1.0
295.22839	9.1
313.23904	100.0
333.20578	1.6
335.22122	1.2
370.98999	0.7
379.21146	1.5
395.24231	9.9
397.00143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25572	3.3
54.14816	3.7
59.01394	17.6
61.60306	3.7
61.98835	100.0
64.34966	4.5
72.08193	4.0
74.33211	3.6
89.92344	4.0
96.96005	19.1
99.26839	4.3
108.02158	5.8
109.02955	18.7
114.39680	4.5
132.66563	4.0
153.01944	29.7
162.90842	5.0
228.44612	4.3
241.00299	4.9
263.43268	4.8
311.18381	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55084	0.5
51.77080	0.5
55.01903	1.2
57.03477	0.9
57.35436	0.5
58.00592	0.6
59.01389	100.0
71.01389	13.5
71.01765	0.7
73.02968	3.2
81.48691	0.5
83.01445	0.7
85.02962	6.9
86.59516	0.5
87.00895	0.8
88.98818	4.8
89.02461	7.1
95.01430	0.7
96.96027	4.9
99.00914	0.9
101.02438	11.1
108.02209	1.2
109.02946	5.7
113.02448	5.0
119.03506	3.5
143.03580	0.9
153.01949	12.6
159.03046	0.8
161.04584	5.4
179.05577	0.7
191.05510	0.6
232.16510	0.7
241.00229	1.3
315.32236	0.6
335.13062	1.0
335.17157	28.5
395.02878	3.7
395.15656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53188	0.4
55.82911	0.5
57.03489	1.0
58.00596	0.6
59.01390	100.0
61.82035	0.5
64.15640	0.6
71.01389	18.0
72.99307	0.8
73.02963	3.3
75.00876	2.9
79.95748	0.7
80.82545	0.5
83.01411	0.8
85.02947	7.2
87.00896	2.7
87.85372	0.6
89.02445	15.2
95.01408	1.1
96.96009	6.4
98.77734	0.6
99.00899	2.4
101.02454	10.4
108.02185	3.1
109.02953	11.1
113.02456	7.9
118.98051	0.7
119.03480	4.9
121.02945	2.5
121.92895	0.6
122.06104	1.3
123.00939	0.6
125.02440	0.9
137.02452	1.2
139.00366	0.7
139.04021	1.2
143.86716	0.7
145.08736	0.8
153.01953	15.9
153.05568	3.5
159.02910	0.7
161.04581	2.7
179.05643	6.4
181.01404	4.1
182.02252	2.9
191.05634	2.3
196.03757	3.8
197.04544	13.5
202.12439	0.8
211.06145	3.1
211.38686	0.5
224.03278	2.8
239.05640	21.4
241.00325	4.4
249.06067	3.4
269.06631	4.0
292.39755	0.6
299.07721	8.0
316.86325	0.6
317.16083	8.2
335.17276	1.2
359.09818	2.6
395.02823	5.4
395.10971	1.2
395.15298	3.8
395.19797	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	2.5
58.85604	1.5
59.01384	100.0
60.54928	1.4
60.85215	1.5
66.75045	1.4
69.03465	7.4
71.01380	69.5
72.99323	3.0
73.02936	19.0
76.98003	1.5
81.03464	4.1
83.01390	6.4
85.02948	12.4
87.00859	1.8
88.98823	4.2
89.02441	95.4
92.10879	4.0
95.01376	2.4
96.96017	19.1
97.02953	13.3
99.00886	19.7
101.02450	23.6
101.06077	51.7
108.02197	12.3
109.02966	30.9
113.02471	6.7
115.04002	8.2
125.02435	38.5
130.42561	1.8
131.03522	8.8
138.96971	1.8
143.03589	2.0
143.07155	4.1
149.04570	19.4
153.01952	47.3
158.22879	1.8
177.55681	2.0
191.05571	12.3
195.07217	1.8
233.06760	15.2
241.00273	12.0
293.08813	27.8
315.07150	2.3
351.04330	2.0
395.02704	17.8
395.19070	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	395.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78410	1.1
58.00611	1.2
59.01394	91.4
59.24173	1.1
60.99949	1.1
61.36709	1.1
69.03465	10.0
71.01388	71.4
73.02950	21.3
75.00897	2.4
78.63564	1.3
81.03497	2.4
83.01411	3.2
85.02966	7.9
87.00938	1.5
89.02447	100.0
95.01424	3.0
96.96005	6.2
97.02964	9.6
99.00877	26.8
101.02439	23.9
101.06081	42.3
108.02206	6.2
109.02944	13.2
113.02465	3.1
115.04018	6.4
115.07635	2.7
119.03539	2.0
125.02436	31.2
127.05280	1.4
131.03479	9.0
143.03520	2.3
143.07176	3.3
149.04558	23.4
153.01939	20.7
173.08199	2.1
191.05644	12.2
233.06706	16.8
241.00296	7.7
255.80101	1.4
285.04123	2.4
293.08823	22.4
343.53333	1.9
352.11862	1.9
395.02979	8.0
395.19351	1.8
418.54663	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	395.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63362	1.7
55.01896	5.3
57.03462	5.0
59.01391	93.2
59.43015	1.7
60.31794	1.9
60.39280	1.8
69.03474	2.8
71.01395	100.0
71.05042	14.0
72.99324	3.7
73.02960	39.9
75.00889	2.4
83.01395	17.0
83.05055	11.1
85.02963	46.1
87.00891	3.7
89.02454	65.3
92.10154	4.3
95.01413	4.6
95.63023	2.1
96.96017	13.3
97.02973	8.3
99.00877	22.9
101.02448	65.9
101.06092	28.3
104.70788	2.1
108.02203	4.5
109.02956	24.4
111.08192	2.3
113.02460	34.2
115.04009	9.7
119.03566	3.6
125.02441	13.1
131.03513	11.2
143.03534	2.2
149.04572	15.1
153.01968	30.7
159.03030	4.5
161.04582	22.1
173.08180	9.6
179.05659	4.6
179.14519	2.1
191.05650	8.4
233.06622	8.2
241.00224	9.5
263.11368	27.2
293.08887	4.5
314.27365	2.0
335.13617	21.7
374.08817	2.2
395.02979	16.3
395.10742	3.9
395.15646	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04379	0.4
50.64149	0.4
59.01389	7.6
69.48102	0.4
71.01381	5.9
73.02963	0.5
79.95737	4.0
80.96536	4.1
81.03479	2.6
83.01407	0.5
85.02970	2.9
87.00880	0.8
89.02460	2.4
94.72041	0.5
95.01402	3.1
96.96017	42.0
97.02978	0.6
98.95551	0.8
101.02474	5.6
108.02187	23.9
109.02968	59.4
112.72906	0.5
113.02457	2.6
115.92071	0.7
119.01521	0.6
119.03501	0.5
123.00854	0.9
135.04541	1.0
138.97058	4.6
143.03511	0.5
153.01956	100.0
154.02264	0.7
173.08167	0.6
185.23798	0.5
185.32408	0.5
241.00270	28.4
309.42072	0.8
335.13437	4.3
351.03888	2.8
352.11993	0.5
395.02939	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79452	24.3
54.98478	23.2
55.57521	23.3
55.65523	20.0
56.51184	22.9
61.98842	100.0
92.10731	56.5
96.08669	24.0
110.37362	28.3
113.83154	26.8
128.00041	23.5
135.17409	26.6
138.18004	27.0
143.37123	23.1
143.97073	23.2
153.01836	26.9
191.95116	24.7
214.55254	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	395.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20690	0.5
59.45063	0.6
65.37828	0.6
70.79304	0.6
71.01396	3.3
72.99301	1.0
75.27684	0.6
75.64055	0.6
78.95915	1.3
79.95728	5.4
80.96524	4.1
81.03455	1.6
83.01394	1.2
85.02975	3.4
87.00888	1.3
95.01385	1.6
96.96010	43.3
96.96975	3.0
101.02454	5.5
108.02182	26.0
109.02960	64.8
113.02448	1.6
123.00900	1.4
125.02406	0.8
138.97102	6.0
153.01953	100.0
154.02309	0.8
189.04091	1.5
191.05698	1.1
203.05705	1.0
217.05179	0.7
241.00252	29.4
263.05832	1.6
315.07285	3.5
316.62628	0.7
351.04016	3.7
395.02927	40.0
395.10114	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	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
66.38635	48.0
72.34734	54.5
86.51855	48.8
87.45206	48.2
92.65704	52.4
103.55829	52.6
114.39549	49.0
115.85850	47.8
125.99485	56.1
140.27220	55.6
312.56415	55.0
333.24316	66.0
368.68515	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58793	67.5
53.44570	67.0
54.83191	83.3
57.80259	62.7
59.01395	100.0
59.62628	68.6
77.13535	75.7
115.36571	76.9
115.94695	76.9
116.92828	98.8
121.37399	73.7
218.85661	84.1
220.37163	92.1
311.16898	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99186	1.0
54.55560	1.0
55.52935	1.2
57.06255	0.9
58.60561	1.0
59.01386	100.0
61.98840	1.8
62.42541	1.0
116.91423	1.2
171.10240	5.0
177.12337	1.2
225.76814	1.2
233.11580	2.4
251.82190	1.2
294.71475	1.3
311.22403	12.1
393.22601	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22857	0.7
58.85876	0.7
59.01394	100.0
61.98841	15.2
63.33698	0.7
64.67464	0.7
92.10809	1.7
98.54063	0.8
114.39330	0.9
137.41771	0.8
137.67709	0.9
189.04851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81114	5.0
59.01382	62.9
61.98861	13.5
76.50194	6.5
91.31238	5.9
92.43477	6.0
92.95164	6.3
94.15731	6.7
97.65536	6.2
99.08202	6.5
106.11205	6.3
113.09761	11.7
116.64954	6.5
134.11348	6.9
139.11328	56.7
161.67912	6.1
168.92606	6.6
171.10286	60.5
183.10365	6.9
193.08453	16.3
202.66455	6.6
233.11609	39.6
268.11298	7.4
275.95654	6.9
293.21216	16.2
311.22299	100.0
333.20428	15.9
357.22955	14.7
381.33319	7.6
393.22675	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	393.2653
Annotation	Tylactone
Peak:m/z	Relative Intensity
51.16565	0.2
52.54474	0.2
59.01387	100.0
84.57659	0.2
88.00407	0.4
100.42628	0.2
105.85400	0.2
106.53761	0.2
157.02325	0.2
186.44316	0.3
219.66325	0.3
326.68604	0.3
353.56839	0.3
390.43289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.8
57.03461	3.8
59.01388	100.0
65.14188	2.1
67.42541	2.5
71.01394	61.8
71.05044	3.1
73.02940	20.6
73.98322	3.4
74.99120	12.0
83.01408	2.9
85.02974	18.0
87.00880	3.7
89.02451	58.6
93.03491	2.7
99.00903	21.7
99.08173	13.1
99.94286	2.7
101.02460	33.6
109.06609	2.7
113.02483	18.4
115.04036	4.6
119.03490	5.9
120.99700	3.1
129.09215	30.2
136.35623	2.7
136.80499	2.8
143.03482	3.6
149.04605	22.3
161.04616	5.5
175.04131	4.5
191.05713	5.1
255.16110	3.9
261.13400	10.9
273.17139	14.8
289.14774	5.7
307.15793	10.8
321.17538	12.0
349.16959	4.2
393.15594	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13123	0.9
54.83134	0.8
55.01893	7.7
57.03462	6.4
59.01388	36.1
67.16080	1.0
67.19195	1.1
71.01385	49.3
73.02949	27.5
75.00877	1.3
83.01400	16.7
85.02956	35.0
87.00885	1.7
88.98809	5.3
89.02450	10.8
92.10130	4.2
95.01386	4.4
97.01128	0.9
97.02952	2.0
99.00863	11.5
101.02444	52.3
108.96785	1.0
112.61671	1.1
113.02444	21.2
125.02472	2.0
129.02002	1.3
137.86238	1.0
143.03535	1.2
154.18820	1.2
159.02971	4.9
159.68930	1.0
161.04555	16.4
166.71220	1.2
168.47363	1.1
187.07088	1.0
253.24355	1.1
261.13446	61.9
307.20386	1.1
393.17731	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	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.3
57.03458	5.6
59.01388	38.8
59.46054	1.0
60.99324	1.2
71.01384	50.5
72.99313	2.3
73.02946	28.0
75.00877	1.7
83.01392	11.0
85.02959	30.0
86.00142	1.5
87.00882	1.8
88.98817	12.1
89.02457	10.1
97.03015	1.5
99.00873	11.5
101.02444	54.9
101.03097	2.3
113.02465	24.3
125.02428	2.1
125.14092	1.0
129.45490	1.4
143.03535	2.3
157.74857	1.3
159.03001	5.4
161.02560	1.9
161.04611	17.4
163.04018	2.1
233.06653	1.6
261.13461	60.0
308.72113	1.2
346.56528	1.1
360.90195	1.2
393.17789	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	393.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.3
60.99314	18.0
61.98829	0.7
63.92546	0.6
64.58688	0.6
65.52135	0.6
71.01396	3.1
72.32569	0.6
73.02988	0.6
75.00871	0.6
79.95758	4.0
80.96527	3.4
81.95323	1.2
85.02975	3.3
87.00874	5.4
88.98804	100.0
89.02433	1.3
93.03477	1.1
96.96008	45.9
97.02972	0.6
101.02452	4.1
113.02479	1.2
120.99678	0.8
123.08185	6.7
138.97107	2.8
155.99614	0.6
170.95912	0.8
175.03995	3.2
191.05649	3.6
198.95345	1.0
201.01865	0.8
219.03046	1.4
241.00243	13.3
243.14204	0.7
255.87421	0.8
271.15326	1.0
285.12396	0.9
299.16461	2.8
305.14249	3.3
309.15137	1.2
312.06415	0.7
327.16055	3.8
333.15570	1.5
387.59436	0.7
393.05090	11.0
393.17340	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	393.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30342	0.3
58.91608	0.2
59.01379	3.7
61.45347	0.2
63.20336	0.3
64.11955	0.3
68.83311	0.3
71.01374	2.7
72.99271	0.5
73.02960	0.5
75.00885	0.2
76.57541	0.3
79.95738	3.5
80.96519	3.5
83.01326	0.4
85.02977	1.4
87.00875	1.8
87.21896	0.3
88.98801	0.3
89.02450	0.5
93.03474	0.5
96.96009	100.0
99.00858	0.5
100.60767	0.3
101.02450	2.0
113.02478	0.4
120.99641	0.4
122.97558	0.4
123.37156	0.3
125.02425	0.4
131.60326	0.3
136.15668	0.4
138.97099	8.0
143.03491	0.5
145.92052	0.3
150.97076	1.5
151.04022	1.2
164.98601	0.7
168.98055	0.5
175.03955	0.4
180.98135	0.5
191.05615	0.4
195.90239	0.3
198.95442	0.6
219.02950	0.3
222.99217	1.5
241.00270	26.2
273.88135	0.3
382.20294	0.3
393.05060	26.3
393.17407	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	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86015	0.1
61.98842	100.0
63.30592	0.2
90.88013	0.2
92.10789	0.5
102.07764	0.2
115.33070	0.2
128.14516	0.2
131.83583	0.2
135.24904	0.2
179.26715	0.2
226.08368	0.2
232.59499	0.2
254.12646	0.2
264.39624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17038	1.0
56.48038	0.9
59.01389	100.0
61.98842	1.9
76.65841	1.1
82.85154	1.0
101.41624	1.2
112.52642	1.0
142.67885	1.1
148.82573	1.0
203.39381	1.1
281.69693	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	393.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79298	0.4
59.01384	13.2
60.72116	0.4
61.58291	0.4
64.34284	0.5
67.11023	0.4
69.15189	0.4
73.22046	0.4
93.03465	0.7
95.05001	0.4
103.05568	0.6
108.02193	1.6
109.02958	85.0
115.05520	0.5
119.05037	3.4
120.99648	2.5
121.02932	2.4
123.04517	3.5
129.03470	4.3
130.04236	0.6
130.48315	0.4
131.05022	1.6
135.04538	2.8
137.02423	0.9
138.01897	0.5
145.02896	0.9
146.03761	3.8
147.04532	37.4
158.03754	4.3
159.04523	100.0
161.06027	1.0
175.04005	2.2
209.11873	10.9
219.03058	0.6
223.07706	1.0
251.07365	0.8
252.07948	3.4
267.06662	0.9
268.07486	1.7
269.08218	50.7
271.10794	0.6
287.08884	0.5
288.33981	0.5
338.00381	0.5
357.06216	10.1
393.03839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45756	0.5
54.82616	0.6
59.01385	100.0
60.35146	0.5
61.98843	1.3
80.91682	0.7
81.94216	0.6
82.67211	0.6
90.72490	0.6
97.02940	6.4
103.02842	0.7
117.56715	0.6
118.36768	0.6
118.37619	0.6
137.09749	0.7
171.10255	1.0
193.08556	0.7
217.00452	0.7
222.72220	0.7
233.11752	0.6
247.20946	0.6
291.19714	6.5
309.20728	9.2
331.19098	0.8
331.22723	1.2
391.21088	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	392.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82654	0.3
59.01389	10.7
60.01720	0.8
60.93048	0.3
61.01813	1.9
61.98835	100.0
84.38953	0.4
103.00204	0.4
165.31999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87900	0.2
54.82439	0.2
57.55993	0.2
59.01390	100.0
71.67167	0.2
196.95416	0.3
217.00343	0.5
217.59132	0.3
262.56784	0.3
274.90161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98842	0.7
69.03472	1.9
79.95776	0.5
80.91685	0.4
80.96515	0.5
85.02961	1.0
97.02955	21.3
134.78023	0.4
137.09708	4.6
164.38554	0.5
171.10245	4.2
193.08516	2.9
193.10161	0.4
202.24045	0.4
207.10013	1.9
216.27325	0.4
219.59372	0.4
221.11981	0.7
239.12961	0.4
287.16260	1.7
291.19638	1.9
309.20773	13.4
310.21570	0.4
313.17938	2.0
331.18979	1.5
331.22778	5.6
391.21036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.0
59.01386	100.0
60.36969	0.9
61.98833	1.6
65.25220	0.9
69.03473	4.5
80.91703	5.5
83.05043	1.4
84.00012	1.0
92.10173	2.1
93.03476	1.6
119.08666	14.2
121.10260	1.6
125.09758	5.2
127.11311	4.6
137.09732	19.3
139.11314	5.8
151.11336	1.4
153.09235	1.1
155.10788	4.8
167.10764	1.8
171.10278	61.0
176.66988	1.3
179.10509	2.4
183.10310	3.9
185.11827	15.6
193.08478	9.2
201.11267	1.8
207.10062	50.9
213.11342	4.8
227.18004	1.1
245.19073	9.4
273.18622	4.3
291.19711	18.2
295.16708	4.3
309.17206	1.8
309.20782	45.2
313.17920	51.6
333.31955	1.3
391.20761	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	391.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79288	2.1
57.03459	4.7
59.01381	38.6
69.03474	4.8
73.57173	2.2
79.95766	3.4
80.91705	4.1
113.79797	2.3
116.20425	2.5
119.08655	20.0
125.09698	9.4
127.11265	2.8
137.09734	28.6
139.11269	5.5
157.12405	2.4
167.10751	3.3
171.10294	72.9
179.10466	5.5
185.11877	19.4
189.08778	2.7
193.08473	5.8
201.11356	3.4
207.10059	99.2
227.18123	3.8
235.40512	2.6
245.19122	14.2
273.18497	5.0
291.19656	16.1
309.20792	100.0
313.17923	89.5
316.24472	2.7
391.20911	3.0
391.29074	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41675	0.3
50.92292	0.4
52.28559	0.4
52.76226	0.4
57.03474	0.5
59.01385	100.0
67.94213	0.4
69.03470	2.5
71.16446	0.4
71.16959	0.4
84.09434	0.5
85.02934	0.8
90.33969	0.4
97.02948	21.9
100.02567	0.4
105.16859	0.5
112.94824	0.4
119.08647	0.7
125.09753	0.8
136.17844	0.5
137.09735	4.3
171.10327	6.7
185.11844	0.5
193.08414	2.9
207.09946	4.2
211.13385	0.6
217.00224	0.6
239.12979	1.0
291.19623	1.1
294.10721	0.5
309.20761	15.6
313.17816	3.0
331.18878	2.5
331.22830	5.4
385.15204	0.6
391.21198	0.6
401.28058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82816	1.2
57.03467	1.6
59.01391	83.2
61.98853	1.8
69.03476	11.2
80.91712	8.4
83.05049	2.4
85.02989	2.3
92.44770	1.7
97.02955	100.0
97.06596	2.5
111.08145	1.6
115.48794	1.4
119.08678	3.3
125.09719	2.7
137.09732	25.9
139.11330	1.6
151.04008	2.7
151.07646	10.6
151.71170	1.3
152.08441	7.1
165.12897	2.2
171.10295	29.4
184.07446	6.5
185.11829	2.2
193.08452	12.9
195.13982	2.6
207.10049	19.3
209.15488	8.4
221.11826	6.2
233.11633	10.8
239.12878	3.4
240.13759	2.6
245.19119	3.2
261.11047	2.5
263.16592	2.6
285.14676	2.8
287.16275	11.1
291.19617	14.8
309.17154	3.5
309.20764	95.1
313.14206	10.2
313.17929	17.6
331.15228	19.2
331.19006	21.2
375.17908	2.3
391.21152	3.3
391.28506	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	390.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.89927	0.1
77.94865	0.1
154.92859	0.1
159.99806	0.1
165.31473	0.1
185.40428	0.1
327.21686	0.2
340.15314	0.1
405.64313	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	391.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00681	6.2
55.09671	4.4
55.36644	4.8
59.01394	61.6
63.45393	5.2
75.00893	21.2
78.95924	12.3
92.02014	5.0
92.10764	5.9
96.96967	32.4
102.24599	4.9
104.93896	4.8
113.04327	4.4
121.10223	18.0
171.10344	56.9
192.06148	5.8
275.20212	100.0
293.21420	60.8
309.20724	6.8
401.07059	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1981
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01895	3.5
56.82741	0.7
57.03461	0.9
57.46189	0.7
59.01380	14.4
59.01598	0.8
65.84393	0.8
71.01385	8.9
73.02946	100.0
75.62271	1.0
83.01384	1.1
85.02966	4.5
89.02448	4.8
92.10793	2.2
101.02460	10.2
113.02476	4.8
161.04565	1.4
250.49135	1.0
298.46036	0.9
317.16119	4.6
336.55182	1.0
353.08765	1.0
391.19806	82.3
412.36270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26634	1.0
59.01387	100.0
63.00365	0.9
73.65810	0.8
76.57915	1.0
90.29610	0.9
96.14088	1.1
131.44260	0.8
414.46548	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	389.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56119	0.4
59.01389	100.0
60.83847	0.3
62.99487	0.4
97.16227	0.5
99.54644	0.4
101.83837	0.4
113.94910	0.4
142.93907	0.4
192.35095	0.5
217.17606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3068
Annotation	Goniothalamusin
Peak:m/z	Relative Intensity
50.89962	0.7
52.00586	0.8
52.92764	0.7
59.01393	3.7
61.98840	0.9
69.20848	0.9
69.58220	0.8
79.62721	0.9
90.44763	0.7
91.20196	0.7
92.66244	0.9
130.35080	0.8
130.55867	0.8
148.51643	0.8
163.52551	0.8
191.05614	1.2
277.21860	1.1
295.22891	1.8
296.72681	0.8
307.38583	0.9
371.29535	1.0
389.30701	100.0
390.30756	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	389.2339
Annotation	Epiadejone diacetate
Peak:m/z	Relative Intensity
57.03479	0.3
59.01385	100.0
61.98837	0.6
70.23544	0.3
76.20486	0.4
88.38634	0.3
95.34257	0.4
193.87453	0.3
210.24957	0.3
232.22133	0.3
280.26517	0.4
289.18051	0.8
329.17581	0.7
329.21280	9.0
329.25189	0.4
389.27151	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	389.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27174	13.4
56.29048	13.5
57.49475	12.8
59.01391	100.0
66.06087	12.7
73.47077	12.3
86.68526	14.1
87.90667	12.7
114.37463	16.4
114.38236	16.9
126.48571	13.7
186.65933	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	389.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00368	1.3
51.56971	1.6
54.82246	1.3
59.01388	26.1
64.50060	1.4
74.22039	1.4
78.57819	1.4
91.27353	1.8
93.09075	1.5
111.50412	1.9
121.75945	1.7
127.11377	1.6
129.05484	1.5
193.59209	1.8
203.07045	1.8
283.87015	1.6
307.22852	100.0
355.49551	1.7
373.27774	2.1
389.23135	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51966	0.2
51.92349	0.2
58.81005	0.2
59.01393	100.0
60.02896	0.2
66.15558	0.2
72.89240	0.2
81.04910	0.2
81.17021	0.2
90.28925	0.2
99.00977	0.2
150.71519	0.2
197.64854	0.2
212.93997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43312	0.4
59.01391	0.8
61.98842	100.0
62.51207	0.3
67.46896	0.4
91.80283	0.4
109.17870	0.4
113.36221	0.5
124.65212	0.4
133.78555	0.4
139.31798	0.4
150.03139	0.5
186.43602	0.4
191.05725	0.5
353.03903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	73.1
59.46941	0.3
60.99314	0.8
62.86821	0.3
67.01871	0.3
71.01382	3.4
71.15488	0.3
73.02947	0.6
82.95421	7.8
83.05050	0.4
85.02957	7.9
87.00887	1.8
88.98799	3.0
93.03466	4.6
96.96003	0.6
101.02451	0.7
111.04531	0.8
113.02464	0.8
119.26191	0.3
122.03728	1.9
127.04002	2.1
133.02969	3.5
134.03732	0.5
135.04524	2.4
136.01610	0.4
137.02472	0.4
152.04807	17.1
161.02409	1.8
161.04570	3.3
167.07146	17.8
173.04547	1.6
177.01888	0.6
179.03555	1.7
191.05635	100.0
192.06056	0.5
197.04141	0.4
215.05634	0.6
218.46677	0.5
242.27988	0.4
303.13437	0.4
351.07111	1.6
353.08832	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49430	1.1
55.01897	1.3
58.00626	2.4
59.01387	100.0
61.98836	1.4
64.78215	1.3
70.67297	1.2
71.01386	47.4
72.99344	1.7
83.01446	1.8
85.02946	9.8
89.02451	45.7
101.02430	20.7
113.02445	19.2
117.02009	1.6
119.03485	19.3
131.03465	1.4
135.11844	5.8
161.04562	2.3
174.89740	1.4
179.05620	7.4
191.05647	4.9
209.09900	2.0
209.11848	41.5
251.14473	17.4
262.16797	1.3
279.13998	2.0
280.14709	5.0
281.15579	2.1
309.15140	13.7
386.32117	1.8
389.15750	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	387.2181
Annotation	38344-08-0
Peak:m/z	Relative Intensity
50.31100	0.3
55.33958	0.2
56.39309	0.3
57.84425	0.3
58.02197	0.3
59.01396	100.0
60.76706	0.3
67.30582	0.3
92.10143	0.8
98.74769	0.4
110.55629	0.3
117.87096	0.3
133.34676	0.3
141.39705	0.3
239.14430	0.4
293.15561	1.3
327.19724	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22234	0.5
53.78752	0.5
55.51370	0.5
59.01386	100.0
61.98834	16.9
64.34901	0.6
73.29540	0.6
78.63404	0.7
87.84414	0.6
94.40720	0.6
102.30661	0.6
116.92854	0.8
253.21678	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	387.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	2.4
57.03481	1.5
57.07288	1.8
58.00601	1.6
59.01388	99.3
61.98829	3.7
69.03470	10.2
71.01388	82.2
72.99323	1.9
73.02960	12.8
75.00882	2.4
76.57117	1.5
81.03446	3.6
83.01410	8.2
85.02955	15.1
87.00888	2.3
89.02445	86.9
93.03458	100.0
96.96015	3.7
97.02957	13.3
99.00903	18.0
99.04517	2.6
101.02438	13.3
113.02480	6.8
115.04022	10.1
120.99639	3.9
125.02450	45.1
127.03979	2.5
131.03520	8.3
133.02959	10.1
137.02475	2.1
149.04555	11.8
150.03203	2.5
161.02585	2.2
161.04440	2.6
177.01875	2.4
191.05618	10.8
233.06718	30.9
293.08783	41.4
387.13089	7.9
396.36758	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	387.2185
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
59.01384	6.8
83.09731	0.5
99.46545	0.5
107.93617	0.6
117.02641	1.0
117.03473	25.6
119.05033	32.0
121.02962	2.8
133.02951	0.8
145.02969	100.0
156.35081	0.6
163.04015	15.9
185.11842	2.6
223.17073	1.1
241.18086	8.4
258.44885	0.7
387.21838	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	385.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82555	14.8
59.01392	39.2
59.14544	14.1
61.98848	85.7
73.92256	16.7
76.24493	13.9
79.36275	16.8
92.10786	46.2
97.12209	14.6
141.49658	15.9
169.42949	15.5
231.11530	16.7
271.18881	18.9
385.21606	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	386.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46386	0.4
54.82636	0.4
59.01108	1.0
59.01390	20.7
60.19377	0.4
61.98838	100.0
63.98778	0.4
66.77538	0.4
71.01395	4.0
85.02970	1.0
89.02445	6.2
96.96017	2.1
101.02455	3.2
106.71040	0.4
113.02453	1.1
119.03514	2.1
143.07152	1.1
323.13553	40.8
386.07883	2.0
386.12341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56440	1.4
57.03454	9.0
58.08525	1.7
59.01391	38.3
61.09443	1.4
71.01389	35.0
72.99306	3.7
73.02966	2.2
75.00884	22.1
82.18963	1.9
85.02960	35.4
87.00901	15.7
89.02441	13.9
91.05536	51.9
92.10809	1.9
95.01400	9.5
99.00864	17.0
101.83408	2.0
103.00362	3.1
113.02454	46.9
117.01935	2.2
117.03482	8.9
135.04527	9.8
157.74336	2.1
165.09117	2.1
175.02419	2.8
249.06198	35.9
267.07254	100.0
328.06598	2.2
331.67526	2.0
385.11490	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55055	0.7
55.01895	3.8
57.03454	7.0
59.01389	100.0
61.98839	1.7
69.03481	2.3
71.01386	32.9
73.01201	1.4
73.02954	10.6
81.25971	1.0
83.01420	5.6
85.02954	26.0
87.00891	3.8
87.04543	5.1
89.02456	7.1
95.01385	1.5
95.05061	1.3
96.96043	2.3
99.00902	6.0
101.02449	30.1
101.36463	1.1
104.80872	0.9
107.22888	0.9
113.02450	15.4
113.06092	1.1
124.01675	1.2
131.07158	11.0
135.04895	10.6
159.03014	1.8
161.04597	27.1
163.09816	8.2
165.05539	1.2
171.03038	1.6
293.12503	1.4
311.07919	1.1
325.15100	33.1
380.03931	1.0
385.07642	1.5
385.11890	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	385.1147
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
53.74563	1.1
55.01892	2.3
57.03464	5.4
59.01386	28.4
71.01386	32.6
72.99300	2.9
73.02958	2.0
75.00866	15.8
76.01374	1.2
76.57886	1.6
80.51083	1.7
83.01395	1.3
85.02949	33.0
87.00878	14.7
89.02444	11.7
91.05536	19.4
95.01424	3.3
99.00883	14.5
104.77242	1.5
113.02457	41.4
115.00348	1.4
117.01965	5.7
117.03463	7.6
121.02954	10.2
128.76733	1.4
135.04532	5.6
149.02461	56.6
149.03601	2.7
152.01146	8.3
161.02484	2.3
163.04070	9.9
164.04811	42.5
165.02000	2.3
175.00345	1.5
175.02489	2.0
179.07170	9.4
190.02777	8.1
193.01450	30.3
193.92363	1.3
205.05045	5.2
205.07040	1.9
208.03807	39.9
223.06157	80.9
223.08328	2.9
249.06195	9.2
267.07281	100.0
340.58337	1.7
372.02542	1.5
385.11475	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	385.1147
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.94324	0.5
57.03457	0.9
59.01405	3.4
81.80580	0.7
85.02984	3.7
87.00917	0.7
88.09015	0.7
92.10118	2.9
93.03516	0.7
96.96024	1.7
119.05035	19.4
120.99651	12.3
121.02965	13.8
134.03740	1.4
135.04529	3.0
140.76974	0.8
149.02461	100.0
152.01154	2.6
163.04021	18.4
164.04814	81.7
169.05147	0.8
178.92642	0.7
179.07152	22.6
191.05550	1.0
193.01465	10.9
208.03824	20.8
223.06157	67.7
265.07275	1.3
268.46628	0.8
369.26541	0.8
385.11783	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	385.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.8
59.01388	31.1
61.98846	3.3
71.01392	18.1
71.01708	1.2
72.99325	2.8
73.02965	10.5
75.00885	3.1
83.01414	1.6
85.02971	27.8
87.00888	37.3
89.02449	7.2
93.03480	1.9
95.01408	2.1
96.96031	8.2
99.00870	2.4
101.02478	4.0
107.05048	2.0
108.02184	1.7
108.48786	1.8
109.02980	9.5
119.05060	4.0
121.02971	2.7
123.00912	12.8
124.01670	21.0
127.03985	2.8
133.02953	4.0
134.03722	2.2
135.03049	2.8
135.04549	7.9
136.01672	11.5
139.04015	16.3
145.02950	7.0
147.04535	3.9
148.01662	6.8
149.02466	2.9
150.03203	23.2
151.00395	36.5
151.04024	27.9
152.01169	43.7
153.01923	3.1
160.01715	2.7
161.02470	7.5
161.96713	1.6
162.03227	22.6
163.04036	13.4
165.05571	19.3
166.02747	17.3
167.03528	18.5
173.00887	1.7
173.02431	2.7
173.04578	3.5
174.01688	9.3
174.03185	3.0
175.04036	8.0
176.01146	7.3
176.04726	3.7
177.01973	5.9
177.05542	8.1
178.02756	17.5
179.03510	7.1
180.04268	3.6
181.05127	1.9
189.01840	3.4
189.05556	2.2
190.02684	6.8
191.03526	13.9
191.05551	7.0
193.05063	22.5
195.06573	2.3
201.01981	3.2
203.03523	8.1
204.04369	2.1
205.01427	10.9
205.04959	2.2
206.02202	3.0
211.06078	9.9
216.86313	1.9
218.02196	8.4
219.03029	12.3
220.03835	7.5
221.04439	3.0
233.04591	3.3
248.03305	1.7
249.03986	2.9
251.05672	2.2
260.03287	8.4
275.05737	10.9
290.04279	2.8
293.06821	8.0
305.06729	18.4
337.05695	25.3
349.05676	2.2
349.11438	3.5
360.19553	1.7
385.07813	100.0
385.11591	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	383.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06835	1.4
59.01393	100.0
59.01692	3.5
85.62679	1.6
94.54550	2.0
98.13009	1.6
113.75603	2.0
191.79721	1.8
197.77348	2.3
206.31554	1.9
323.29608	10.4
377.61716	1.9
407.92151	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	384.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79012	0.7
59.01387	100.0
60.96161	0.8
71.93527	0.8
269.14786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.6
57.03460	9.7
58.00594	1.0
59.01385	100.0
61.98838	0.9
68.99826	10.3
69.03454	3.5
71.01385	51.1
72.99311	3.3
73.02945	18.4
74.99103	1.3
75.00867	2.0
75.11866	0.7
81.03467	3.9
82.60744	1.0
83.01406	6.0
83.05041	1.0
84.98855	0.8
85.02957	45.2
85.03462	1.8
87.00877	11.9
87.04525	4.4
89.00707	0.9
89.02448	18.4
93.03477	1.0
95.01404	4.9
95.05022	1.0
96.96013	10.2
97.02934	1.0
99.00882	15.5
99.04532	1.1
101.02442	36.4
103.16888	1.0
104.38068	0.7
108.02226	1.3
109.02958	24.6
111.00885	1.3
113.02457	20.8
119.03532	6.7
123.00922	1.5
123.29300	1.0
124.01665	34.6
125.02480	1.4
127.03989	1.0
129.01962	1.8
131.03505	0.9
131.07150	5.2
134.03716	1.3
135.02892	1.1
135.04871	34.6
139.04024	24.1
143.03531	2.0
147.02998	3.8
149.02493	3.6
150.03197	3.5
151.04060	0.9
159.02997	3.3
161.04564	20.3
162.03233	1.3
163.04062	1.1
163.09766	4.4
166.02666	3.5
171.03003	34.7
177.02011	1.2
178.02740	1.3
179.05679	1.7
191.02008	5.9
191.05644	1.6
193.05060	1.1
205.01357	1.0
207.08801	15.9
209.03212	1.4
239.05585	3.5
249.06133	7.6
281.17770	0.9
311.07773	21.7
325.11392	1.8
325.15063	27.8
339.13028	38.0
341.08658	1.1
385.07632	4.8
385.11777	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	383.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09992	0.8
55.01890	4.9
57.03469	2.0
58.00604	0.7
59.01392	100.0
65.40186	0.7
69.03472	0.9
69.73363	0.8
70.94254	1.0
71.01392	42.8
73.02955	19.7
75.00900	0.9
83.01408	9.9
85.02965	24.4
85.03459	1.3
87.00907	1.2
89.02434	15.9
91.64087	0.9
95.01392	1.9
95.01946	1.0
96.96013	5.0
97.02943	4.2
99.00903	8.8
101.02452	31.0
108.44767	1.0
108.88170	0.8
111.00883	0.9
113.02457	18.9
115.04029	1.3
125.02475	5.1
130.20410	1.0
131.03500	1.0
138.14606	1.1
143.03465	2.0
149.04541	1.5
154.23386	1.0
159.02995	2.1
161.04558	22.2
229.33534	0.9
233.06546	1.3
247.08269	3.9
251.11403	25.1
383.15628	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29294	1.9
58.34497	1.8
59.01385	100.0
59.88216	2.0
61.98818	2.0
64.44408	1.9
70.01950	1.8
85.12935	2.3
88.04035	2.1
92.69431	2.4
109.20588	2.2
152.14305	2.2
174.26033	2.0
201.15898	2.2
207.10242	2.2
220.26869	2.7
279.23260	4.5
297.24384	63.2
339.25443	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59746	1.3
53.83516	1.3
59.01382	12.6
63.75487	1.5
71.01418	2.1
72.99338	10.9
75.00896	1.8
85.02948	3.1
87.00893	4.1
92.10854	3.2
96.96020	3.1
99.00858	2.2
112.98800	32.3
113.99577	25.4
118.02065	1.9
119.05023	9.3
122.06120	2.8
130.21187	1.8
133.02963	9.5
141.99031	2.4
147.36543	1.7
151.04021	3.7
158.06206	1.7
159.06485	3.1
161.02477	35.5
163.03996	8.2
172.00171	4.0
176.04790	25.3
177.01996	2.7
179.03511	48.1
187.03972	1.9
191.05675	5.7
191.07191	8.8
194.05846	67.6
209.08220	100.0
279.08774	9.8
296.11179	3.6
323.07739	49.8
383.10239	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	383.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05226	1.2
54.58759	1.0
55.01888	5.4
57.03453	2.8
59.01387	100.0
65.49815	1.2
65.66858	1.1
71.01382	55.2
73.02946	23.5
74.73316	1.3
75.00883	2.1
83.01409	11.6
85.02960	27.4
87.00878	2.9
89.02452	20.6
95.01420	3.2
97.02960	1.8
99.00881	9.8
101.02448	48.9
113.02466	21.7
115.04036	1.6
119.03531	2.6
125.02456	1.6
131.03505	2.0
143.03479	2.2
149.04601	1.7
161.04608	26.1
195.71234	1.3
202.55415	1.2
233.06641	1.8
247.08234	2.3
251.11415	40.9
263.64044	1.5
351.26355	1.6
358.79977	1.4
383.10715	2.2
383.15656	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	11.3
59.01389	93.3
61.98844	30.6
71.01389	43.4
75.00861	6.9
82.95430	45.7
83.01361	6.5
85.02980	12.6
87.00890	23.7
89.02457	22.5
95.01416	5.4
96.96041	22.5
99.00918	8.6
101.02437	10.1
105.03483	21.9
107.05051	56.3
110.06148	11.8
111.00887	6.8
111.95408	5.6
112.98797	60.4
113.02465	9.3
118.00317	5.0
118.98116	27.0
119.03583	5.2
122.06172	27.1
123.04502	10.0
129.05589	19.7
133.02969	100.0
135.04524	11.9
136.07602	6.1
151.04025	52.9
161.02446	6.8
163.04007	42.8
164.04796	4.8
173.00925	6.5
176.04851	6.0
177.01976	27.9
178.06409	12.2
179.03474	6.1
179.07188	20.5
182.34904	6.9
191.03491	10.8
191.05687	21.9
195.03047	26.9
203.03484	9.0
206.05878	6.9
242.30672	5.0
265.07162	30.5
276.03418	5.6
277.07111	21.7
279.31842	5.2
292.04153	5.1
295.08316	20.3
296.11426	63.9
323.17218	21.7
382.18243	6.6
383.14294	7.5
383.18463	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	382.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08938	0.4
59.01395	4.8
61.98840	100.0
69.52804	0.4
70.16245	0.4
71.01401	1.7
73.02929	0.4
75.00874	2.2
82.09286	0.3
89.02464	0.9
91.37521	0.4
96.96020	1.7
101.02473	0.9
109.24966	0.4
113.02428	0.5
161.04495	0.8
175.17612	0.4
214.79988	0.4
339.38187	0.5
382.17368	0.5
383.15778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15658	0.4
51.27237	0.4
54.22723	0.4
59.01386	100.0
61.98830	0.5
69.46113	0.4
75.44630	0.4
232.66774	0.5
338.29327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
63.60602	0.2
67.01904	0.3
71.01385	1.3
73.02963	0.5
75.09390	0.2
81.03448	0.3
83.05029	0.4
85.02953	11.9
87.00871	2.8
93.03463	3.8
99.04520	0.5
101.02460	0.3
109.02982	1.2
111.04540	1.3
127.04020	2.8
129.01877	0.3
153.01933	0.2
155.03561	0.3
163.80626	0.2
171.03030	0.9
173.03296	0.2
173.04477	1.6
191.05638	100.0
192.06013	0.5
202.72113	0.2
214.75534	0.2
373.79523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80437	1.0
53.42138	1.0
59.01383	9.5
87.28481	1.1
131.44119	1.1
195.50267	1.5
217.00255	1.8
276.01785	1.2
299.20212	100.0
381.20627	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52177	2.5
59.01393	15.6
59.82317	2.5
87.18645	2.9
101.79699	3.0
113.09789	2.8
170.05904	4.1
217.00395	5.4
243.70038	3.6
271.80804	3.7
277.18121	100.0
279.19769	24.3
295.19205	90.7
363.25583	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	381.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82236	1.3
55.01901	12.6
55.77818	1.2
57.03474	5.6
59.01389	56.1
59.01692	1.9
60.99321	1.3
67.38079	1.2
67.74128	1.3
68.46656	1.4
69.03463	1.9
71.01385	53.3
72.72649	1.4
72.99325	2.5
73.02946	34.2
75.00889	2.1
80.93649	1.3
81.02420	1.3
81.65936	1.3
83.01393	24.5
85.02959	34.9
86.00101	1.7
87.00897	3.3
88.98829	7.6
89.02441	13.7
95.01396	2.6
97.02990	2.2
99.00876	12.9
101.01779	3.3
101.02452	81.1
111.00906	2.2
113.02459	23.5
115.03990	1.7
125.02472	2.4
127.16557	1.3
131.03522	1.8
143.03491	2.2
149.04471	1.4
159.02998	2.4
161.04585	21.1
168.40485	1.3
191.05643	3.0
198.81340	1.6
249.13469	86.5
274.81857	1.6
381.17740	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	381.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68563	1.7
54.09829	1.5
54.33791	1.7
55.01888	13.8
57.03465	4.0
59.01385	65.5
64.64713	1.6
65.69374	1.6
71.01382	71.8
73.02943	41.5
73.49501	2.0
81.04774	1.7
83.01382	22.0
85.02953	43.2
85.38531	1.7
86.00157	2.2
87.00891	2.3
89.02458	11.7
95.01422	3.0
97.02959	7.1
99.00891	15.5
101.02438	79.3
111.00913	2.0
113.02454	28.3
115.04005	2.2
119.89695	2.0
131.03635	2.1
159.03004	4.1
161.04575	16.6
167.71661	1.9
187.25159	2.2
191.05562	2.5
209.72620	2.0
249.13478	100.0
292.54910	2.1
363.16595	2.9
381.13354	3.2
381.17722	96.4
381.22665	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	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65414	0.9
55.01879	2.1
59.01391	25.8
62.43759	1.0
65.57623	0.9
68.47595	1.1
69.47003	1.1
71.01384	20.8
72.99319	5.4
73.02960	6.2
75.54459	0.9
83.01404	2.7
84.46156	1.0
84.46708	1.1
85.02965	11.9
89.02444	6.5
97.64234	1.1
99.00876	2.1
101.02446	26.9
113.02470	5.8
119.03524	1.9
161.04617	2.6
191.05653	6.7
201.11375	1.2
285.50876	1.1
291.14517	6.2
292.27908	1.2
317.16205	5.0
348.98422	1.1
363.16733	11.0
381.17734	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	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57001	1.4
55.01885	11.0
56.45751	1.0
56.81104	1.0
57.03463	7.2
58.00595	1.4
59.01389	56.7
61.98844	1.9
62.12163	1.1
65.36532	1.2
69.03492	2.3
71.01389	68.7
71.01775	2.6
72.99316	2.7
73.02951	37.5
75.00873	16.5
76.56094	1.1
83.01384	15.1
85.02962	45.9
87.00902	8.0
89.02441	12.8
92.32877	1.4
95.01409	5.6
97.02969	2.3
99.00871	18.8
101.02444	70.0
101.03089	2.3
113.02453	31.6
125.02515	1.2
129.01955	2.4
131.03528	3.0
131.07147	40.6
143.03540	2.4
143.07182	1.9
159.03061	1.9
161.04558	19.2
174.85104	1.5
191.05658	1.4
249.06258	13.5
249.13451	78.9
260.30292	1.5
312.15469	1.5
381.13922	8.9
381.17865	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	1.0
57.03464	1.9
58.00603	0.8
58.40348	1.0
59.01385	75.5
70.98733	1.0
71.01380	51.5
71.05033	2.3
72.99338	2.0
73.02948	4.2
73.64960	0.9
75.00899	6.8
75.44091	1.1
83.01417	4.6
85.02959	17.9
87.00900	4.1
89.02441	23.9
89.02930	1.2
95.01424	4.7
99.00900	5.6
101.02435	16.4
111.92061	1.0
113.02448	13.5
113.06112	1.1
119.03471	8.6
129.09232	7.1
131.07149	8.8
155.10815	2.1
157.12471	1.2
163.04077	1.2
191.05736	1.6
201.11433	10.0
219.12383	23.0
229.49088	1.1
249.06195	14.6
267.07327	2.5
298.63144	1.1
305.19357	1.1
309.08377	1.3
363.13239	1.7
374.27185	1.1
375.62817	1.2
381.13934	12.6
381.17896	100.0
402.30896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01828	1.1
55.01879	1.6
57.03452	4.9
58.00604	1.1
59.01388	100.0
65.14094	1.1
67.01910	1.2
68.99815	1.3
69.03455	1.8
71.01385	36.2
72.99316	6.2
73.02961	1.6
74.27302	1.3
75.00872	15.6
80.81707	1.0
83.01391	1.6
85.02953	27.1
86.05241	1.1
87.00882	8.7
89.02444	12.6
89.31858	1.1
91.04019	1.1
92.10028	1.4
93.03416	1.3
95.01375	9.2
95.76492	1.2
99.00879	9.4
101.02467	6.1
111.00935	1.3
113.02455	25.6
113.06104	7.5
117.01962	2.1
119.03525	1.6
129.09253	2.1
130.13744	1.2
131.07141	31.9
175.02423	1.6
201.11397	1.6
219.12453	5.7
231.05058	2.4
249.06184	49.8
267.07211	11.4
278.93329	1.2
309.08240	4.3
313.39822	1.3
363.13171	9.4
381.14011	67.3
381.17917	24.0
381.76590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.8
57.03457	5.4
59.01385	100.0
61.98812	1.4
62.49844	1.1
65.45563	1.0
67.01894	1.3
68.99810	4.4
69.03478	1.7
71.01379	40.9
72.99321	5.0
73.02952	8.1
75.00867	19.7
81.03453	1.5
83.01384	4.7
85.02961	28.0
86.65924	1.1
87.00867	9.3
89.02443	15.0
89.97427	1.2
91.70856	1.0
93.03450	16.3
95.01385	8.6
96.96004	1.7
99.00869	16.0
101.02426	13.4
109.63100	1.2
113.02449	27.7
113.06087	6.8
115.00348	1.6
117.01930	3.0
119.03530	2.3
129.01961	1.5
129.09196	1.5
131.07133	28.6
137.02437	22.2
143.10773	1.9
149.02396	1.1
201.11441	2.5
204.10268	1.2
205.07265	1.4
219.12381	12.0
231.05045	1.7
249.03703	2.0
249.06166	42.5
267.07153	9.4
309.08374	4.8
319.62933	1.3
363.13135	9.9
381.13852	63.1
381.17773	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70000	0.9
57.03474	1.9
58.00607	0.8
59.01392	100.0
69.03468	0.8
71.01386	28.6
71.01765	1.0
72.27723	0.8
72.64702	0.7
72.99332	0.8
73.02979	1.3
75.93387	0.7
83.01402	1.6
85.02943	7.8
87.00896	3.3
89.02446	41.7
92.10144	1.1
95.01423	1.4
96.96022	1.1
97.06617	1.4
99.00890	0.8
99.04534	3.2
101.02438	18.3
104.04475	0.7
111.04538	1.4
112.98808	1.1
113.02459	12.9
115.00365	1.1
119.03508	15.1
141.05533	1.0
143.03520	1.9
144.15700	0.8
145.01427	0.9
149.04526	1.6
161.04570	5.6
179.05641	19.0
279.10852	1.6
321.11996	18.2
335.20908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
59.01389	100.0
60.51624	1.6
61.50099	1.9
61.98844	2.5
62.26838	2.0
64.68551	1.7
71.01379	25.3
73.02946	2.1
75.00881	9.0
76.38658	2.0
85.02966	10.0
89.02440	22.3
95.01391	2.0
96.96008	3.1
101.02417	16.7
108.01997	2.1
113.02446	9.4
119.03508	4.8
128.32318	2.1
131.07101	3.6
150.94913	1.9
161.04468	3.2
179.05600	4.7
189.07629	2.2
217.00256	3.1
219.12460	14.8
225.95232	1.8
265.15848	2.1
321.15527	3.4
346.39413	2.0
369.82059	2.3
381.13040	2.6
381.17899	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72563	0.3
59.01390	4.6
61.98841	0.8
69.03455	0.7
71.01399	1.6
73.02946	0.6
75.00872	0.9
81.03486	0.5
85.02953	12.7
87.00871	2.9
89.02467	0.4
93.03448	5.4
94.44052	0.4
94.95779	0.4
96.95977	0.3
99.04528	0.5
101.02467	0.4
104.11659	0.3
107.71751	0.4
109.02923	0.8
111.04539	2.1
113.02430	0.6
113.90586	0.4
115.22675	0.4
117.03473	2.5
127.04001	3.4
131.45291	0.4
133.02995	0.8
135.04521	1.6
139.07668	0.4
141.94983	0.4
145.02963	2.3
147.04523	0.8
161.02448	16.1
163.04019	29.2
171.02975	0.7
173.04523	5.1
178.08673	0.5
189.01952	16.5
191.05627	100.0
207.02966	2.8
363.07312	5.9
363.11954	0.5
381.08347	9.4
381.12878	0.7
381.17758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1564
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
50.55446	0.7
53.15470	0.7
59.01385	37.8
60.01728	1.0
71.01384	43.8
71.05014	11.6
71.05296	0.7
73.02943	1.3
83.01399	1.6
85.02971	6.2
88.04058	7.0
89.02442	15.9
92.10739	1.7
96.96011	1.6
99.04504	2.0
100.68130	0.9
101.02441	12.6
103.68221	0.9
108.35489	0.9
113.02469	8.0
119.03477	6.6
120.99680	1.3
126.09171	1.1
128.07164	1.7
129.05569	1.0
143.03531	1.0
146.08249	75.6
179.44313	1.0
255.31319	0.9
267.07007	0.9
277.06039	0.9
300.99075	0.9
308.13568	6.1
362.14719	1.0
370.03140	1.0
380.15714	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	380.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43638	0.9
52.33055	0.8
59.01394	100.0
63.93538	0.8
113.73911	1.0
174.99298	1.5
217.00311	9.5
290.29230	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	379.1983
Annotation	JBIR-57
Peak:m/z	Relative Intensity
55.01890	3.7
58.75319	0.7
59.01388	100.0
61.98836	0.8
64.62831	0.7
65.12461	0.8
69.03460	0.9
71.01382	14.4
71.31750	0.7
73.02950	6.1
77.42000	0.9
83.01406	3.7
83.03790	0.9
85.02958	8.1
89.02461	4.7
93.03438	1.8
99.00902	1.3
101.02446	14.1
111.30715	0.9
113.02466	6.0
120.99684	5.0
121.61041	0.7
160.08676	0.9
161.04622	1.3
191.05571	1.0
199.62611	0.8
201.11366	5.6
209.11842	8.4
244.50046	0.8
319.17572	3.0
372.53421	0.9
379.19849	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
113.66673	82.6
179.82014	92.9
201.68887	94.2
205.10127	89.1
227.42378	93.2
245.04466	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	379.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03464	2.4
58.00622	0.3
59.01389	16.4
67.01875	0.3
68.99844	0.8
69.03468	0.4
71.01385	13.5
72.99297	4.1
73.02955	1.5
74.84354	0.3
75.00874	12.9
83.01425	0.7
84.02196	0.4
84.13118	0.3
85.02451	0.8
85.02957	16.3
85.03459	0.7
87.00883	5.8
89.02447	4.6
91.04028	0.4
95.01388	4.5
95.56418	0.4
99.00887	8.6
103.00383	1.6
113.02457	16.2
115.00391	1.8
117.01965	3.2
129.01950	1.3
129.09225	100.0
130.09521	0.4
175.02510	1.7
217.32355	0.3
223.08357	0.3
231.05112	1.4
249.06187	12.4
267.07288	2.4
343.21378	0.4
361.15244	1.9
379.16165	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01385	100.0
59.12972	2.3
61.40174	1.9
66.41060	2.1
71.01382	69.0
73.02949	15.9
83.01411	3.5
85.02932	18.4
88.58035	2.3
88.61500	2.7
89.02447	76.8
90.29848	2.6
95.01405	3.3
99.00898	14.1
101.02453	39.7
113.02465	17.4
119.03484	17.8
125.02408	2.4
131.03490	9.7
143.03526	2.5
149.04573	24.3
161.04523	4.0
175.13402	2.6
179.05624	6.1
191.05603	3.7
247.11807	10.0
379.16223	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41508	0.6
55.01908	0.8
56.32009	0.6
58.00623	0.7
59.01385	100.0
60.58427	0.7
71.01381	19.4
71.27058	0.6
72.99327	4.5
73.02970	3.3
74.20964	0.8
75.00870	0.7
75.94228	0.6
83.01406	1.1
85.02953	6.5
87.00886	1.1
89.02442	22.2
93.03447	0.9
96.74021	0.7
96.95995	5.9
98.95609	4.7
101.02451	14.4
102.90879	0.7
104.92215	0.8
113.02459	10.6
119.03507	8.5
129.05588	1.3
139.07674	10.0
143.03510	1.3
161.04552	3.4
179.05675	1.5
190.88606	0.7
199.09787	0.9
242.99931	1.5
249.06143	1.0
272.14911	0.7
319.14023	60.1
361.31165	0.8
379.05508	1.6
379.16370	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	379.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45393	1.0
55.01875	2.2
57.03449	4.9
58.83818	0.9
59.01392	12.4
62.59870	1.1
68.99551	1.6
71.01382	29.1
72.99324	4.7
73.02956	2.8
78.95892	1.2
83.01389	6.3
85.02962	4.8
85.06596	22.3
87.00875	6.7
89.02422	1.3
89.76356	1.0
96.96006	18.3
96.96972	5.6
96.99326	1.2
99.00876	36.0
103.81376	1.1
111.00883	6.8
111.04537	11.2
111.89762	1.3
112.98815	100.0
115.00378	11.2
124.98826	8.7
127.00398	1.6
129.01964	6.7
142.54776	1.3
142.99872	61.9
145.01424	8.0
155.03450	8.5
173.00934	56.0
173.04552	33.5
175.02446	2.7
191.03697	1.4
205.03522	6.2
216.13261	1.2
231.03275	2.0
233.04945	1.2
259.00037	1.1
265.27094	1.2
284.52512	1.3
333.95248	1.5
336.11310	1.1
379.07056	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	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84063	2.5
59.01400	22.4
65.04127	3.2
66.47287	2.9
71.01445	2.5
80.91676	5.3
101.25883	2.7
125.41050	3.0
133.07809	2.6
158.01566	3.0
161.49617	2.9
171.10284	35.2
197.86212	3.2
206.94708	3.2
214.96587	3.6
267.34265	3.5
277.21768	48.2
295.22836	100.0
312.34940	3.1
317.20932	26.6
341.10886	4.0
361.20294	3.6
364.49783	3.2
377.23059	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	378.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.50006	1.5
71.01377	2.2
74.31155	1.4
82.95414	14.3
84.00924	6.0
86.28746	1.8
89.67902	1.3
93.14944	1.6
111.84932	1.5
139.25244	1.5
177.09221	3.1
192.11565	7.5
205.12372	6.1
220.12581	2.0
220.14714	64.7
221.15489	83.0
222.15747	2.2
236.10544	59.2
242.64424	1.6
275.16602	8.4
293.17642	15.1
305.12537	1.7
336.46408	1.5
360.14264	3.4
378.15439	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.146
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.30991	1.0
54.18445	0.8
54.49205	0.9
55.01886	1.2
56.91871	0.9
57.03463	4.1
59.01385	24.2
64.36813	1.3
69.03481	1.4
71.01383	24.3
72.48274	1.0
72.99326	6.0
73.02972	2.0
75.00874	20.4
77.03887	1.1
81.03499	1.3
83.01419	1.6
85.02956	28.2
87.00865	10.6
89.02457	8.3
92.10776	1.9
93.20845	1.0
95.01380	2.6
99.00880	10.6
103.00374	1.2
113.02466	24.2
115.00410	1.9
117.01923	4.5
120.99644	1.4
127.07663	100.0
127.82487	1.0
168.70302	1.3
175.02460	1.6
177.74860	1.0
189.50331	1.1
249.06187	26.3
267.07214	24.7
270.22635	1.4
359.13544	1.7
377.14612	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59595	0.3
59.01385	6.5
60.61090	0.3
71.01382	1.7
72.25874	0.3
73.02928	0.4
78.95899	5.9
79.95741	2.1
80.96542	0.3
81.34787	0.3
81.58654	0.3
85.02945	0.4
89.02460	1.7
89.87939	0.3
89.92363	0.4
96.96009	100.0
96.96911	10.1
100.83525	0.3
113.02475	0.3
119.03476	0.7
119.83485	0.3
127.39008	0.3
135.31255	0.4
169.52237	0.3
173.44183	0.4
179.05612	0.5
213.62350	0.3
279.10822	2.3
301.07230	0.4
341.10699	1.2
345.06433	0.4
377.08868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85560	4.9
59.01383	35.9
65.72470	3.2
67.87909	3.4
71.01388	22.0
78.95902	15.1
79.95738	5.2
80.96526	6.7
89.02434	40.0
90.55774	3.9
96.96003	29.7
96.96972	4.1
101.02457	8.8
113.02455	8.4
119.03525	5.2
165.54434	3.9
179.05629	18.1
185.02176	5.0
341.10999	100.0
377.08704	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01124	0.7
59.01387	26.3
61.98836	100.0
76.57770	0.6
80.84640	0.6
82.39568	0.6
97.02962	0.8
156.03546	0.9
376.25226	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	376.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98836	25.6
64.41057	0.4
71.56923	0.4
77.44785	0.4
80.96500	0.7
99.72078	0.4
103.64449	0.5
109.47160	0.4
138.91299	0.5
201.10782	0.4
254.39267	0.5
277.68887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73116	22.8
56.64177	20.7
60.25851	23.8
67.62222	21.4
68.23297	22.6
70.39558	26.0
92.10124	100.0
135.51344	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	375.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.36988	0.5
61.98842	1.0
67.23508	0.6
85.23875	0.6
92.10165	1.2
93.51598	0.6
113.83541	0.7
116.92869	3.0
140.57375	0.6
178.81848	0.6
309.44266	0.7
357.00583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33944	14.6
64.09229	15.0
74.23162	18.5
78.95917	27.5
84.00127	17.7
92.64162	18.8
100.22615	17.8
116.92882	100.0
117.62142	16.5
168.59563	19.9
322.64609	19.3
362.10049	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	375.2158
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
51.24537	1.1
59.01386	19.4
61.98823	1.5
64.55916	1.4
78.19770	1.2
79.85388	1.3
80.91660	1.7
125.09708	7.2
134.38232	1.5
141.91052	1.5
149.09798	1.5
185.11850	9.8
197.11891	2.1
204.70105	1.3
217.00357	5.2
247.20616	1.7
293.21259	100.0
314.50607	1.5
315.19495	32.6
375.21591	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	375.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.98859	4.4
79.26778	2.3
87.66634	2.6
97.20301	2.4
101.19016	2.6
113.47369	2.5
119.79779	3.4
132.95509	2.8
174.99242	35.1
213.87813	2.7
217.00337	73.8
228.14761	2.9
343.05124	2.8
385.03000	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	375.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	47.2
65.33087	0.9
70.60477	0.8
80.91686	7.8
95.05049	3.8
121.10242	30.3
140.21306	1.0
153.41669	1.1
161.71594	0.9
171.10292	70.7
177.16490	1.6
185.11935	1.9
207.10124	1.8
217.00288	1.3
218.02434	0.9
231.21231	4.5
257.19296	1.5
275.20212	100.0
276.20685	1.4
278.11356	11.3
293.21277	69.5
297.18585	2.3
315.19485	39.1
359.18402	4.3
375.21603	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11525	0.7
51.52791	0.7
62.10226	0.8
62.97596	0.8
70.98218	0.7
74.99084	1.7
84.04840	0.8
85.16512	0.8
93.00152	1.1
159.08495	12.7
161.06410	3.9
209.01424	1.5
217.07294	1.1
262.98688	1.1
277.07663	1.6
279.23444	7.5
289.07608	2.2
291.09149	93.3
292.08905	1.0
357.13879	1.7
359.15436	100.0
375.18454	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	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.6
62.20861	1.7
65.44215	1.8
70.18732	2.2
74.99078	2.4
76.16050	1.9
86.33514	1.8
93.00172	2.3
116.92840	3.0
138.11641	2.1
142.88470	2.2
153.63014	2.0
159.08452	15.5
161.06459	4.5
245.53760	2.2
286.61508	1.9
291.09149	95.1
345.78186	2.2
359.15424	100.0
375.18469	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	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	13.5
57.03465	3.8
58.00613	1.7
59.01388	88.5
60.69149	1.7
66.14742	1.6
71.01392	50.5
72.99320	3.4
73.02962	10.0
83.01398	8.4
85.02946	22.4
87.00880	4.4
89.02446	38.8
90.70974	1.8
93.03428	2.4
94.70730	2.0
95.01344	6.1
99.00851	4.4
101.02444	43.0
103.74139	1.9
113.02442	16.5
119.03474	14.4
160.08408	2.0
161.04613	2.6
162.92107	2.5
169.12292	3.4
177.09253	3.9
191.05710	10.3
255.08936	7.8
357.15540	26.2
375.06754	4.4
375.11978	4.1
375.16660	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	375.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.3
67.34347	0.4
71.01378	6.5
80.91691	5.6
85.95787	0.4
135.61237	0.5
169.68091	0.4
174.99251	2.8
177.09218	5.5
190.10005	0.6
192.11620	8.4
205.12393	4.5
217.00406	4.6
217.02193	0.6
218.09416	3.2
219.71533	0.5
220.14716	45.1
221.15501	100.0
222.15887	0.7
235.13290	0.7
236.10577	75.7
237.11026	0.7
275.16718	0.4
286.68823	0.5
293.17651	28.8
335.87006	0.5
375.17917	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	374.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72143	3.3
59.01389	100.0
59.01689	3.3
70.29738	3.8
71.96011	3.3
75.26642	3.6
82.36957	3.8
95.69114	3.7
111.62172	3.4
116.92834	4.9
148.66272	3.1
174.99248	30.4
182.11905	3.5
194.92764	3.6
210.90205	5.2
217.00339	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60862	0.5
59.01387	100.0
71.01405	1.3
82.95436	1.1
83.78979	0.5
96.96046	3.0
101.02471	0.9
107.05055	1.0
108.02222	0.9
113.02413	0.7
113.52209	0.5
114.36646	0.5
120.02213	2.5
121.02944	0.9
123.04547	1.2
123.58651	0.5
135.04495	0.7
136.04042	0.7
138.03238	8.1
143.07213	0.6
153.05592	63.5
157.16505	0.5
161.04559	2.5
162.03227	3.2
162.18489	0.5
167.03528	2.3
174.99361	0.8
177.05594	1.2
194.53604	0.5
197.04642	0.8
217.00285	1.3
221.79521	0.7
245.40257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50784	0.6
52.87033	0.5
53.12553	0.6
59.01390	11.1
59.67783	0.6
61.98836	100.0
101.58549	0.8
112.45992	0.8
119.00533	0.7
159.95490	0.8
174.99280	1.3
201.47379	0.6
209.62427	0.7
217.00323	4.2
229.20047	0.7
237.05594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82868	0.9
59.01386	100.0
61.98838	12.9
63.28237	0.8
68.53357	0.8
73.87025	0.8
79.86397	0.7
85.93951	0.9
93.42371	0.9
147.58087	0.8
150.05627	0.8
160.61375	0.8
174.99277	3.7
186.40770	0.8
217.00356	9.7
246.04744	0.9
271.47281	0.9
386.62701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01387	22.4
64.29409	0.6
80.91679	7.4
83.05093	0.7
93.03486	0.9
93.07098	1.1
97.06613	3.0
101.58640	0.6
117.32446	0.6
119.08559	0.7
121.10236	25.0
123.08196	1.1
125.09712	9.1
139.11290	0.7
139.56364	0.7
141.12863	0.7
147.08191	1.3
185.11845	17.7
191.06822	0.7
197.11845	3.7
207.10017	4.5
211.13458	2.5
217.16019	0.9
223.13335	0.8
227.18037	1.3
230.67784	0.6
245.19138	12.9
247.20601	0.9
273.18686	1.0
291.19720	67.7
292.20184	0.8
294.63968	0.7
311.16382	0.7
313.17911	100.0
314.18335	1.3
321.50687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70308	0.6
57.18324	0.6
59.01391	11.8
60.72119	0.5
61.98840	100.0
62.80790	0.5
74.66520	0.6
88.02502	0.6
91.59363	0.5
95.33352	0.6
96.60616	0.6
118.75465	0.6
185.28038	0.6
191.65088	0.6
217.00293	1.2
328.78510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78932	0.5
57.98691	0.5
59.01390	22.0
61.88324	0.7
61.98840	100.0
62.99617	0.5
81.37464	0.6
89.43988	0.7
117.69161	0.7
121.74532	0.6
152.96663	0.7
174.99332	0.9
183.99908	0.8
184.99362	0.6
217.00356	3.1
303.33954	0.7
319.05591	0.7
331.63541	0.7
352.79575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35563	0.3
52.15432	0.3
57.03495	0.4
59.01408	1.9
71.01410	1.6
73.02950	2.9
81.03473	0.4
83.05042	0.9
85.02998	1.4
87.00901	1.6
92.10115	0.6
93.03460	4.6
109.02979	0.4
111.04526	4.5
123.02760	7.6
125.98285	0.3
135.08194	0.5
137.09729	7.9
141.08867	0.4
155.03503	3.2
155.10799	100.0
156.11140	0.8
161.04596	0.5
173.04604	8.1
178.01999	0.4
191.05644	0.4
199.09793	41.9
202.27402	0.4
220.90862	0.4
249.06091	0.5
329.16922	0.4
373.10281	1.3
373.15048	17.9
373.22351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18385	0.4
57.03455	1.0
59.01391	4.7
60.64055	0.4
60.99305	0.5
61.98851	0.5
67.01894	4.9
69.03465	1.0
71.01391	4.0
73.02941	0.5
81.03460	0.7
83.05040	0.7
84.18224	0.4
85.02953	0.9
87.00890	0.5
88.25861	0.4
92.10120	0.6
93.03458	36.0
111.00906	0.7
111.04539	6.2
114.39901	0.5
132.04605	1.4
135.98405	0.4
137.02472	5.9
137.09750	1.9
153.16985	0.4
155.03491	5.0
155.10800	24.6
173.04568	100.0
174.04926	0.7
191.05579	0.8
192.11678	0.4
199.09798	10.6
245.95650	0.4
273.74414	0.4
351.73618	0.5
373.15063	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	373.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94873	0.7
54.30635	0.7
59.01387	30.3
59.35066	0.7
62.54910	0.8
67.90083	0.7
68.50769	0.8
74.45019	0.7
85.02974	4.3
87.00868	1.6
92.66071	0.9
96.96006	4.3
99.24696	0.9
102.38036	0.8
108.02184	1.1
127.71926	1.0
134.03745	100.0
136.01663	71.8
136.02730	1.4
149.06087	89.7
151.04024	73.4
152.60991	0.9
156.09985	0.8
173.04704	0.9
182.05867	0.8
193.06036	0.8
199.50340	1.0
211.06094	12.8
373.11368	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	372.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47017	67.5
53.44880	66.9
54.83203	93.8
61.98848	100.0
73.02363	71.4
73.56986	74.7
90.95568	96.7
121.98507	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12559	13.1
59.01394	20.7
61.98849	21.5
64.83907	17.0
69.88097	15.2
116.92857	100.0
117.73760	15.2
120.86461	15.7
279.10486	16.5
290.38821	18.7
294.44235	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	373.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23904	0.6
59.01381	7.5
71.01378	7.0
72.99310	1.6
73.02967	0.7
75.00887	0.7
83.01381	6.4
85.02953	1.2
87.00850	6.0
89.02419	1.3
90.68812	0.7
93.03445	0.9
99.00877	10.5
101.02430	1.1
109.02953	14.8
111.00891	0.9
113.02447	1.5
115.00359	21.7
119.05000	1.1
121.02924	1.4
121.06570	3.5
127.00354	1.3
133.02989	5.7
135.04504	5.5
139.00381	1.7
145.02991	3.7
147.04550	8.6
148.05321	4.4
149.06088	100.0
149.09708	3.2
157.01451	0.8
159.02979	0.7
159.04469	1.4
161.02446	32.0
161.06105	3.0
163.04008	6.1
165.01862	0.8
165.05501	5.1
173.02525	0.9
174.03145	1.5
175.02466	13.6
175.04010	16.3
177.01956	23.2
177.05533	3.5
179.03491	1.7
187.04025	2.8
189.05547	5.2
191.03490	3.1
191.05365	1.0
192.04309	1.1
193.05089	15.9
193.08739	1.2
196.84998	1.0
203.07048	0.9
205.05090	3.9
206.02167	3.4
210.14156	0.7
213.05612	0.9
219.03009	26.1
227.01932	0.9
231.06624	1.3
233.04553	20.2
237.04079	35.6
243.21487	0.8
249.07640	1.0
255.05107	1.3
275.05542	1.8
277.03561	22.5
279.69348	0.7
289.97693	0.8
293.06757	8.9
319.04620	7.0
337.05716	60.8
355.06653	1.3
373.03333	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	372.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88511	0.1
52.96547	0.1
59.01396	0.3
61.98839	100.0
72.26922	0.1
87.58955	0.2
92.10110	0.3
140.39423	0.1
148.88788	0.1
152.22314	0.1
154.64648	0.2
167.18611	0.2
206.94913	0.2
210.36667	0.2
222.73492	0.2
262.20447	0.2
268.61761	0.1
276.74728	0.2
357.18561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10673	0.2
59.01365	0.2
61.98840	100.0
87.12873	0.2
118.53011	0.2
128.01463	0.2
130.71841	0.2
315.06107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42654	0.1
56.02833	0.1
59.01388	0.2
61.98837	100.0
67.97719	0.1
78.95872	0.1
92.10221	0.2
100.29959	0.1
162.83798	0.2
170.13550	0.2
172.89610	0.2
175.10612	0.2
204.29599	0.2
221.54686	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81710	0.1
57.03463	0.1
59.01385	1.9
64.64280	0.1
66.70602	0.1
67.01900	0.4
67.51466	0.1
69.03457	0.1
71.01370	0.9
72.50336	0.1
73.02956	0.5
80.37646	0.1
81.03468	0.4
83.05039	0.6
85.02952	11.5
87.00878	2.3
93.03460	3.8
95.01437	0.1
99.04511	0.4
103.28062	0.1
103.42003	0.1
109.02953	0.8
110.98611	0.1
111.04546	1.3
111.74796	0.1
127.04009	2.5
137.02472	0.1
146.75204	0.1
155.03528	0.1
159.73755	0.1
171.03018	1.0
173.04561	1.5
191.05635	100.0
192.06036	0.6
197.29527	0.1
226.92671	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.1
59.01657	0.6
68.48726	0.6
68.73183	0.6
71.01398	3.3
76.33589	0.6
79.95771	1.7
80.96512	1.0
81.59372	0.6
85.02968	0.9
92.10143	2.5
96.96012	74.2
101.02454	1.3
102.34209	0.7
138.97137	1.2
150.97093	1.1
183.29694	0.7
183.83653	0.7
189.07837	0.7
191.05602	0.9
198.99042	1.0
211.16335	0.7
241.00298	3.7
267.06686	0.9
353.10376	0.9
371.13879	100.0
372.14221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0989
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.50607	0.6
53.05204	0.6
55.01892	1.3
57.03451	4.4
59.01386	24.3
60.05935	0.7
63.28847	0.6
66.06907	0.7
67.01907	0.9
71.01382	19.0
72.99303	6.9
73.02966	1.5
75.00868	18.3
78.98514	0.7
83.01389	0.7
85.02956	21.6
87.00879	8.6
89.02444	5.8
95.01378	6.0
99.00872	8.4
101.02447	0.9
103.00371	3.0
111.00937	1.0
113.02463	20.4
115.00348	1.4
117.01930	4.1
121.02955	100.0
146.86555	0.7
175.02519	3.0
193.03537	1.1
231.05055	1.9
249.06230	19.9
269.24753	0.8
351.41232	0.8
371.09882	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03458	2.5
59.01382	25.6
67.01906	1.0
69.03468	0.6
71.01379	17.3
72.99301	6.5
73.02947	2.3
75.00867	17.9
76.21391	0.4
83.01403	1.0
84.02137	0.7
85.02947	21.6
87.00867	7.2
89.02435	6.8
93.03483	0.5
95.01404	5.1
99.00872	11.7
101.02428	1.1
101.59180	0.4
103.00372	2.7
111.00864	0.6
112.01709	0.5
113.02447	18.8
115.00401	2.0
117.01950	3.2
119.03519	0.7
121.02950	100.0
129.01924	1.9
172.19540	0.5
175.02475	2.4
189.04156	0.6
191.05621	0.5
193.03545	0.8
231.05167	2.8
247.28726	0.5
249.06171	18.1
250.30823	0.4
260.92334	0.5
353.08942	0.8
369.28412	0.5
371.09875	60.1
384.78589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
54.22596	0.9
55.01892	1.1
57.03461	4.2
59.01387	24.9
68.99849	1.3
70.14140	1.0
71.01383	21.7
72.99325	6.8
73.02942	1.6
75.00878	18.0
85.02956	19.4
87.00903	6.3
89.02456	5.4
93.03477	1.8
95.01397	5.0
99.00871	9.6
111.00869	1.3
113.02451	17.4
115.00421	1.2
117.01941	4.4
121.02957	100.0
135.26576	1.1
171.06223	1.0
179.04257	1.1
228.14520	1.3
231.05148	5.5
249.06177	55.1
371.09879	55.0
372.10092	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	370.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65830	0.7
51.58477	0.7
52.05305	0.6
54.41741	0.7
54.46627	0.7
58.69183	0.9
59.01388	100.0
61.98853	2.1
65.11458	0.8
67.56943	0.7
78.78053	0.9
88.81709	0.8
99.92595	3.5
101.08779	0.8
108.19022	0.8
119.94717	1.1
126.66755	0.9
127.90995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85670	0.2
57.03452	0.5
59.01384	5.1
67.01901	0.3
71.01382	3.4
72.99323	1.3
73.02962	1.3
75.00873	6.7
81.03473	0.6
83.01419	0.4
83.05050	0.4
85.02955	12.2
85.03452	0.5
87.00880	10.7
89.02443	3.0
90.98592	0.4
92.10767	0.3
93.03461	6.8
97.02948	0.3
99.00341	0.3
99.00860	2.5
99.04543	0.5
101.02468	0.6
103.02494	0.3
105.01950	6.2
109.02956	1.3
111.04547	1.9
115.00381	0.6
127.04023	3.0
129.01988	0.5
131.03525	0.5
133.01456	0.3
134.03630	0.3
135.04532	11.1
137.02457	0.5
143.03461	0.5
147.03047	1.4
149.04559	0.5
159.30965	0.3
161.02426	0.5
161.04587	1.3
165.04062	18.7
171.02994	0.4
173.04579	4.3
179.00177	0.3
179.05652	11.9
191.05650	100.0
191.72151	0.3
192.06145	0.5
209.03072	0.6
250.84586	0.3
352.50995	0.3
353.08844	0.7
371.09848	3.9
373.02454	0.3
389.75388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35670	9.4
59.01398	25.1
61.98830	100.0
63.99269	13.3
66.38426	10.2
116.62237	11.6
128.15993	11.6
133.23822	12.7
318.79059	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	369.2438
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
62.03947	0.4
62.20009	0.4
76.36504	0.4
90.27881	0.4
90.52593	0.5
104.02682	0.6
116.92858	0.5
133.10240	3.2
147.08183	0.7
161.09679	0.6
163.11299	100.0
179.10786	22.6
187.11299	0.8
193.12364	23.7
279.13858	0.6
290.63345	0.6
311.17038	0.6
315.01004	0.5
337.21841	13.0
369.24411	59.3
370.24695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
59.01390	4.1
60.99317	3.4
61.98830	9.8
67.01887	12.2
69.03453	3.7
71.01395	5.6
73.02963	1.1
77.03974	1.1
81.03445	3.2
83.05029	1.6
85.02946	14.6
87.00866	18.7
87.01371	1.1
93.03447	76.7
95.05038	4.1
99.00904	1.6
102.61578	1.0
105.03452	12.3
107.05034	4.3
109.02961	2.1
111.04501	11.0
123.04488	1.2
125.02447	1.0
127.03970	1.8
129.01935	1.3
133.02948	100.0
135.04500	3.6
150.03253	1.3
151.03993	1.3
155.03520	4.0
171.03058	1.0
173.04532	49.8
177.01921	10.7
179.03500	1.7
191.05618	93.7
195.03023	14.8
215.05659	8.2
307.08371	1.6
351.07263	17.3
369.08289	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	369.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31036	1.9
54.82858	1.9
55.01889	11.8
57.03461	3.6
59.01387	76.2
62.09235	2.0
69.03448	2.4
71.01383	77.6
72.99323	2.9
73.02945	50.6
73.21974	2.0
75.00874	2.4
78.95934	2.8
81.03474	5.6
83.01391	18.5
85.02955	51.3
87.00874	8.7
89.02445	21.9
89.26674	2.2
91.77550	2.1
93.03466	3.2
95.01383	3.4
96.44315	2.6
96.96006	33.2
96.96961	8.9
97.02960	2.9
98.40884	2.1
99.00881	17.5
101.02444	73.4
108.02188	4.7
109.02962	48.4
113.02477	27.9
115.04019	5.3
117.01933	13.7
119.03522	2.6
123.04544	3.7
125.02440	9.2
131.03506	2.9
133.02965	3.9
143.03540	4.2
147.06648	4.2
151.04036	16.0
152.22852	2.1
159.02977	8.9
161.04575	30.6
166.33606	2.9
173.04478	2.7
177.01981	2.5
181.50861	2.4
191.05611	14.4
195.02908	3.1
233.06627	3.8
237.09839	72.3
255.26262	2.4
290.57764	2.7
309.12106	4.3
333.11823	2.3
369.14063	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	367.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18758	7.9
53.84892	9.6
59.01385	100.0
61.98843	9.6
62.41367	8.5
65.98342	11.3
73.77555	9.9
88.75986	9.9
92.10831	51.3
103.54904	10.6
121.02937	13.2
128.47972	9.9
131.35721	10.0
195.38335	9.9
201.88622	10.4
202.98758	17.3
217.00401	13.4
364.12985	12.8
383.38309	10.3
383.43069	12.1
385.90146	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	367.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98825	2.2
64.36547	0.9
87.57372	0.9
105.04926	0.9
138.47388	0.9
154.50365	0.9
183.18170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76160	0.6
54.32959	0.6
55.01884	0.7
56.98963	0.6
57.03459	1.0
58.00607	1.4
59.01390	48.2
61.98840	16.8
63.14164	0.6
71.01388	21.1
71.86849	0.7
72.99297	0.9
73.02977	0.9
77.02689	0.6
84.38188	0.6
85.02962	6.1
89.02446	23.4
95.01382	1.0
96.96021	1.6
99.00933	0.7
101.02447	8.4
104.03242	0.7
113.02453	7.9
116.05064	3.7
119.03519	6.9
131.03571	0.9
133.02956	1.1
143.03476	0.6
144.04575	100.0
145.04900	0.8
146.06151	3.8
160.04033	1.2
161.04437	1.5
179.05663	1.2
188.03552	1.4
191.05634	2.7
308.13815	0.9
368.09763	1.0
372.02777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23426	2.0
56.14737	2.3
59.01395	10.4
61.98842	4.0
67.50896	2.2
70.21587	2.3
97.02937	23.8
112.40050	3.0
112.40824	2.6
119.08651	3.3
133.42262	2.3
137.09750	10.3
152.08444	2.4
171.10272	16.3
173.53456	2.5
200.42767	2.6
211.09854	2.4
213.78329	2.7
219.97900	2.7
221.11951	2.8
237.35159	2.6
291.19800	3.8
296.69751	2.7
309.17490	5.0
309.20743	37.2
345.33926	2.6
367.12073	4.0
367.16617	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	367.1661
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01393	10.3
61.98841	2.9
116.76846	2.3
119.08674	2.3
122.10181	1.9
126.79622	2.0
129.28593	1.8
137.09708	4.4
171.10284	31.7
185.11792	5.2
198.86859	1.9
237.43364	2.5
291.19730	4.0
309.20758	18.4
313.18237	2.5
367.16641	100.0
367.20932	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	367.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46052	0.1
58.02975	0.2
59.01389	0.6
60.24480	0.1
61.98835	100.0
96.12725	0.2
112.66198	0.1
150.96492	0.1
157.08310	0.1
168.13945	0.3
169.14281	0.6
170.14508	0.2
182.64670	0.1
253.65433	0.2
256.10498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82121	1.5
55.01884	9.4
55.71931	1.6
57.03454	4.6
59.01385	51.7
60.52119	1.5
61.88213	1.6
61.98827	2.4
71.01382	61.9
73.02937	33.0
83.01370	14.1
85.02947	36.2
87.00877	3.0
89.02427	14.4
95.01400	2.0
97.02942	2.5
99.00895	11.9
101.02444	68.3
113.02467	27.1
142.20750	2.1
143.03526	2.0
148.81535	2.0
159.02965	3.2
161.04602	19.9
235.09508	2.9
235.11890	88.0
270.71524	1.8
325.91949	2.2
367.16144	100.0
382.03943	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	367.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.9
61.98839	3.2
64.05331	2.1
73.42236	2.4
73.80278	2.3
80.06024	2.7
81.03477	2.8
85.02972	5.3
92.83043	2.3
93.03448	20.0
96.96066	3.3
98.78687	2.6
101.20681	2.8
111.00946	3.2
131.31290	2.5
133.02937	3.5
134.03745	23.6
135.04520	10.9
147.34671	2.6
147.38574	2.8
153.87708	2.9
160.84962	2.5
162.03220	3.8
173.04535	42.5
176.04059	4.9
176.54250	2.9
177.05626	4.1
179.03545	12.0
188.80263	2.3
191.05611	16.2
193.05090	5.6
204.52359	2.5
206.57214	2.7
221.06177	2.8
222.06932	4.7
238.06416	15.0
241.05096	13.2
242.05934	10.2
249.05624	4.5
250.06424	11.7
265.05249	2.7
266.05832	14.8
277.05142	11.3
278.05884	76.0
279.06909	8.7
281.08270	4.1
291.06671	3.1
293.08163	2.8
294.05417	14.4
305.04861	3.3
306.05344	41.0
307.06152	27.5
320.06833	4.6
321.07751	100.0
322.04764	11.3
322.08484	17.4
330.32730	3.1
335.09262	13.5
336.10034	45.9
337.07224	55.5
337.10959	15.1
351.08887	6.2
352.09482	23.8
367.11841	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	8.9
57.03462	6.2
58.00611	1.5
58.60100	1.1
59.01386	63.8
61.08714	1.3
61.98846	1.4
62.70185	1.4
65.44761	1.2
66.81038	1.4
71.01381	55.0
71.05037	1.6
73.02946	33.0
75.00887	1.4
76.58076	1.3
83.01387	19.8
85.02966	31.7
87.00883	2.3
89.02435	10.6
95.01395	2.8
97.02925	1.6
98.95835	1.4
99.00882	12.4
101.02443	79.3
111.00880	2.0
113.02461	27.0
115.04057	1.7
125.02459	1.8
129.01923	1.8
131.03419	2.7
134.03741	3.1
159.02916	6.1
161.04556	16.6
181.65376	1.6
191.05577	1.9
193.04961	1.6
235.11908	96.9
265.07196	2.3
328.14694	1.7
351.83627	1.8
367.16150	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	367.1039
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03461	0.2
57.28936	0.1
59.01385	1.7
60.99317	0.1
61.98859	0.2
67.01903	0.8
71.01361	1.0
72.66756	0.1
73.02944	0.2
79.14800	0.1
81.03462	0.5
83.05032	0.3
85.02953	10.8
87.00871	2.8
93.03448	5.7
99.04512	0.6
109.02971	0.8
111.00893	1.4
111.04514	1.7
111.12743	0.2
117.03484	0.2
127.04014	2.3
134.03738	4.0
137.02438	0.2
155.03433	0.3
160.01665	0.6
171.03008	0.9
173.00870	0.2
173.04535	2.1
175.03967	0.3
191.05626	100.0
192.05995	0.9
193.05090	1.2
203.14548	0.2
238.84146	0.2
242.96585	0.1
304.46231	0.2
366.18671	0.2
367.10324	1.4
367.18436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03465	0.5
59.01387	1.6
60.37136	0.3
60.99317	0.9
67.01898	8.8
67.53357	0.3
69.03442	1.4
71.01386	1.8
73.02969	0.6
75.65814	0.4
81.03477	2.3
83.05045	0.9
85.02960	6.7
85.67634	0.4
87.00890	9.5
92.90171	0.4
93.03464	42.2
99.04525	0.6
109.02975	0.8
111.04535	6.0
113.02439	0.6
117.03464	3.5
127.03996	2.0
129.01947	1.0
134.03751	25.0
137.02481	0.4
149.06090	1.7
155.03502	0.9
173.04555	15.1
177.98320	0.5
178.02711	0.5
191.05641	100.0
193.05096	8.4
217.16226	0.5
260.23984	0.5
294.07855	0.5
315.42343	0.5
367.10446	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	366.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84142	0.8
52.90773	1.0
59.01391	1.7
61.93530	0.8
61.98860	0.8
66.70081	1.0
68.80536	0.9
71.42383	0.8
102.03487	1.2
104.77982	0.9
108.33753	0.8
120.04588	1.2
121.59108	1.0
136.47594	0.8
137.56773	0.9
146.06140	4.8
146.09923	0.9
147.29204	0.9
148.06509	1.9
148.07697	59.2
182.28250	0.9
184.65027	1.0
366.24417	100.0
382.83392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96173	0.2
59.01387	35.0
61.98839	1.8
67.01895	5.9
71.01391	1.8
72.99307	3.5
73.02948	0.6
77.60320	0.2
81.03445	0.4
83.01382	4.6
85.02951	20.5
87.00871	1.7
93.03458	4.8
99.00841	0.6
101.02428	2.4
109.03017	0.4
109.70216	0.3
111.00880	100.0
111.04500	1.3
112.74686	0.3
113.02430	0.5
120.99702	0.4
129.01952	4.1
134.03734	4.0
139.92059	0.3
154.99881	10.7
161.04515	0.3
173.00917	19.4
173.04572	2.9
173.95047	0.3
191.05644	11.0
193.05136	0.7
230.25713	0.3
307.17642	2.0
339.01273	0.3
367.10364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03450	1.7
58.00610	0.3
58.56599	0.2
59.01384	14.1
61.98838	1.7
62.67849	0.3
65.26613	0.2
67.14106	0.3
71.01379	14.6
72.99305	0.6
73.02943	8.6
75.00889	0.3
81.03455	0.5
83.01389	4.3
83.05042	1.2
85.02950	11.3
85.03463	0.5
87.00890	1.6
87.04535	1.3
89.02447	3.2
89.03996	2.2
93.03452	2.7
95.01395	1.5
97.02952	0.6
99.00877	3.8
101.02442	18.6
101.06066	0.5
106.04236	0.5
109.02966	0.4
111.00881	0.4
111.04508	3.2
113.02440	6.6
117.03464	10.5
120.99680	0.5
121.02925	0.5
125.02464	0.7
127.04025	0.5
131.03484	0.4
134.03741	100.0
136.97595	0.4
137.02464	0.6
143.03516	0.5
149.06067	5.5
155.03520	2.7
159.03041	1.2
161.04591	5.6
173.04541	3.3
177.07393	0.3
191.05635	6.1
193.05072	73.7
194.05376	0.4
233.06738	0.4
235.11890	23.7
256.01062	0.3
262.96417	0.4
367.10495	5.4
367.16153	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07998	2.5
52.72484	2.4
59.01400	17.4
60.59165	3.0
61.98842	3.1
68.59284	3.3
109.87859	2.8
113.74387	2.8
133.02982	4.7
140.00371	2.9
141.52681	3.0
199.13411	47.0
201.02609	6.3
209.05063	3.7
283.26389	15.0
347.25888	3.9
365.27017	100.0
366.67343	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	365.2698
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
50.35363	2.7
58.36048	3.0
59.01399	16.5
69.23222	3.0
88.12051	3.4
98.59344	3.2
105.27841	3.7
111.75922	3.4
199.13440	40.3
201.02730	3.6
214.98254	3.5
283.26474	6.8
310.39496	3.7
347.25940	6.4
365.27014	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	366.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99440	0.1
58.96543	0.1
59.01395	0.8
61.98836	0.2
63.04274	0.2
65.08950	0.2
71.01389	0.2
89.79568	0.2
91.90200	0.2
96.04119	0.2
116.05072	3.5
122.01046	0.2
132.04546	0.3
159.03171	0.2
160.04054	100.0
161.04373	0.8
198.19737	0.2
204.02983	2.5
288.10297	0.2
366.08347	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	100.0
61.98833	17.1
68.96011	12.1
82.72713	11.0
84.44356	12.0
91.25106	12.3
93.11208	11.8
108.25791	12.9
129.89600	11.1
133.02986	17.6
143.39555	11.6
164.96552	13.9
201.02536	22.9
201.78635	12.2
365.15103	53.1
365.23331	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2337
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
51.57552	1.5
52.48910	1.5
59.01386	3.4
61.98869	1.9
69.06747	1.5
71.63615	1.8
72.06215	1.4
75.98299	1.5
88.72199	1.5
105.69132	1.5
140.25696	1.6
191.60855	1.9
241.66873	1.7
254.52966	1.7
275.20316	2.6
291.23199	2.9
303.11166	1.9
319.22562	2.3
321.24353	38.2
338.54794	2.1
344.81537	1.9
365.16351	2.6
365.23370	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	365.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.7
59.01389	14.0
68.99824	0.6
71.01388	14.5
72.99313	3.1
73.02964	0.7
75.00874	13.1
80.52174	0.4
85.02953	16.2
85.03455	0.7
87.00883	8.0
88.50764	0.4
89.02451	4.4
92.10143	2.4
95.01408	3.6
97.02958	0.4
99.00900	8.5
103.00407	0.9
105.14321	0.4
105.28456	0.4
108.03452	0.5
113.02463	13.2
115.00380	2.0
115.07659	100.0
116.07948	0.5
117.01933	3.4
130.99916	0.6
131.88509	0.4
135.15941	0.5
139.92764	0.5
168.88249	0.4
175.02473	1.7
183.73799	0.4
205.07137	0.6
231.05229	0.7
249.06212	10.7
267.07291	1.0
299.35654	0.4
347.13565	2.2
365.14584	57.5
366.14890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73119	0.5
58.00591	0.9
59.01384	39.3
71.01381	16.8
72.99308	0.8
77.36379	0.6
80.23917	0.5
83.01398	2.0
85.02959	3.9
87.00874	1.1
89.02442	18.2
95.01391	0.8
101.02422	11.3
105.39017	0.5
113.02458	8.2
119.03470	4.2
127.11266	3.8
150.53108	0.5
155.10802	4.1
157.12343	21.9
171.13893	0.6
175.23572	0.5
179.05611	0.6
185.11804	2.2
199.13394	2.0
203.12917	51.2
245.13979	0.9
365.18216	100.0
366.18362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72242	0.3
55.01888	0.6
57.03448	2.2
58.00595	0.6
59.01388	42.2
70.17542	0.3
70.20113	0.4
71.01385	16.4
72.99314	0.8
73.02932	1.5
77.78510	0.4
81.36964	0.4
83.01398	0.9
85.02944	4.8
87.00901	2.1
89.02444	17.8
90.01725	0.3
94.40070	0.4
95.01401	1.8
99.00895	0.4
101.02441	11.5
107.80727	0.4
109.55299	0.4
113.02456	7.3
113.09743	1.6
119.03494	5.4
127.11278	2.6
139.11250	1.0
155.10745	3.3
157.12344	21.8
171.13867	0.6
185.11870	2.6
187.13435	1.6
199.13434	2.1
201.11235	0.5
203.12920	54.0
245.14047	1.7
288.96661	0.4
365.18207	100.0
366.18488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98489	0.4
56.17409	0.4
58.00608	0.9
59.01385	100.0
71.01382	20.7
85.02975	3.1
87.00912	0.7
89.02444	28.4
89.04705	0.5
95.01422	0.9
101.02446	8.2
107.87299	0.5
113.02454	7.0
119.03479	8.5
131.03497	0.8
133.02994	5.8
143.03535	1.3
149.04601	0.9
161.04538	2.7
161.77831	0.5
177.02007	0.7
179.05638	8.4
226.77435	0.6
305.12524	3.0
389.24503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21270	0.4
58.00608	0.7
59.01392	100.0
60.20222	0.5
71.01389	17.8
72.99334	0.6
77.95392	0.5
83.01403	0.5
85.02970	2.8
87.00907	0.8
89.02448	28.2
92.10077	0.9
95.01400	1.0
101.02434	7.1
105.03472	1.2
113.02461	9.2
119.03503	9.4
131.03490	0.6
133.02948	6.2
143.03494	0.8
155.36800	0.6
159.40494	0.5
161.04601	2.3
177.01956	2.5
179.05609	7.5
245.29604	0.5
266.00604	0.6
365.14462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51424	2.0
51.83836	2.3
52.58935	1.9
53.31858	1.8
57.25059	2.1
59.01402	10.2
59.08436	2.6
67.34872	1.8
71.01389	40.0
82.02986	100.0
84.04578	9.0
85.02983	4.1
88.04044	28.0
89.12748	2.0
92.10835	5.6
95.01399	2.3
96.96033	4.4
98.02486	3.1
99.60021	2.1
100.04050	77.8
115.00394	36.0
120.01636	2.5
128.03545	10.2
130.21460	2.6
132.02954	2.8
145.06227	29.7
184.04269	2.4
189.89006	2.9
204.10338	5.2
218.93974	2.7
232.09648	3.3
249.12440	47.0
250.10867	31.2
321.14606	11.0
353.40552	2.9
356.77292	2.8
365.13568	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.6
59.01391	100.0
61.77979	0.4
71.01390	21.3
71.01784	0.9
85.02950	3.9
87.00901	0.7
89.02448	28.5
95.01392	1.3
101.02451	9.1
113.02467	8.5
119.03508	10.5
133.02939	3.7
161.04593	2.3
177.02019	1.0
179.05626	8.6
211.46892	0.5
299.42242	0.7
301.81711	0.6
305.12531	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	364.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95858	0.2
61.98835	100.0
63.12195	0.2
63.90879	0.2
72.35058	0.2
75.05640	0.2
76.57155	0.3
82.93712	0.2
135.02812	0.2
145.47163	0.2
163.32486	0.2
177.21645	0.2
235.79178	0.2
237.57123	0.2
297.59003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02546	0.3
59.01386	30.1
60.01723	4.0
61.01813	1.7
61.98835	100.0
65.95213	0.3
68.08675	0.4
137.08868	0.4
217.06958	0.5
218.07274	1.6
219.06969	6.4
220.07161	7.1
287.13342	0.7
288.13538	6.8
302.16849	2.0
303.16422	4.7
304.16681	24.6
349.14453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95127	2.1
57.03467	5.1
59.01390	15.7
60.29679	2.4
67.01942	2.8
71.01390	50.8
72.99334	3.3
73.02945	3.9
74.84632	2.7
83.01408	4.6
83.62514	2.7
85.02966	17.5
85.06589	13.1
85.83895	2.8
87.00886	13.3
93.03461	11.6
96.96008	29.0
99.00877	34.4
100.73338	3.2
111.00886	46.7
111.04517	15.7
112.98820	100.0
115.00402	16.6
124.98836	12.5
129.01921	19.1
133.01445	5.6
142.99872	71.7
155.03531	3.6
159.01079	4.6
173.00922	73.7
173.04584	28.6
175.02374	3.4
191.03819	5.3
191.05640	29.0
205.07942	3.0
217.05197	21.6
235.06165	3.2
287.06021	3.7
294.16428	2.8
339.70029	3.0
365.04868	5.7
365.09045	93.3
386.91644	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	364.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30629	0.2
59.01380	0.5
59.69470	0.2
61.48841	0.2
61.98833	4.0
70.66192	0.2
71.08216	0.2
76.02639	0.2
77.16359	0.2
77.86073	0.2
78.95901	12.2
79.95727	1.9
96.96007	100.0
96.96927	18.9
151.02647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11426	0.2
58.44595	0.2
59.01383	0.4
61.98835	100.0
228.94777	0.2
276.72424	0.2
286.22531	0.2
335.97418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35332	0.8
55.01887	1.2
55.17675	0.8
57.03463	2.3
59.01384	62.6
68.25449	0.9
69.03479	1.0
71.01385	33.0
72.99315	6.8
73.02968	1.2
75.00884	4.6
80.39657	0.9
83.01392	1.3
84.10574	0.9
85.02954	18.7
85.06596	0.8
87.00897	5.6
87.71759	1.0
88.76635	0.9
89.02441	23.9
95.01400	1.6
99.00889	5.2
101.02452	15.4
103.35463	0.9
107.08667	2.2
109.10281	0.9
111.05676	0.8
113.02459	16.5
113.06106	7.7
119.03497	7.8
120.99643	1.1
123.03201	0.9
136.07666	1.3
138.05609	3.7
139.11327	3.8
145.02974	3.7
155.10876	1.2
163.04012	1.3
168.00528	1.0
169.59903	0.9
169.83531	1.0
183.10277	60.1
201.11365	16.7
206.88710	1.0
227.08337	2.0
232.47050	1.0
242.10608	1.5
249.06146	2.1
257.13022	7.4
264.75192	1.1
267.07242	21.7
282.89273	1.1
356.44025	1.0
363.13025	8.5
363.16724	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08281	0.8
54.82463	0.9
55.01898	1.5
56.20145	0.7
57.03455	1.9
58.00586	0.9
59.01385	61.5
69.03458	1.4
71.01379	32.6
71.01775	1.2
72.99307	7.6
73.02948	1.1
75.00883	4.8
83.01405	1.2
85.02949	17.6
85.03397	1.1
85.06613	0.8
87.00884	5.9
89.02448	23.7
95.01421	3.9
99.00887	3.9
101.02450	13.4
107.08678	1.4
113.02441	18.6
113.06103	5.3
119.03477	6.8
119.05024	0.9
123.03266	1.1
136.07666	1.3
138.05612	6.5
139.11295	4.4
145.02942	0.9
155.10744	1.0
172.86613	0.8
183.10275	49.9
201.11368	17.8
208.55099	0.7
227.08350	3.3
242.10695	1.9
249.06189	2.0
257.12994	13.0
265.07330	1.0
267.07220	22.1
345.11072	1.4
363.12949	8.9
363.16705	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	363.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78032	0.6
56.67542	0.6
57.03476	0.7
59.01394	44.6
60.07446	0.6
61.98844	0.8
62.89157	0.6
71.01383	8.9
73.02901	0.6
85.02976	2.8
92.07917	0.7
92.10743	1.4
96.96017	1.4
97.06590	100.0
101.02453	3.2
113.02462	3.0
135.93298	0.7
141.05592	59.0
161.04584	5.2
186.25340	0.7
263.63760	0.9
300.00540	0.8
303.10834	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07557	3.0
54.09687	2.9
57.03459	6.1
59.01385	70.1
71.01390	56.2
72.99306	14.3
73.02951	5.8
75.00878	25.3
76.57175	3.6
80.43741	3.1
83.01408	4.0
85.02959	53.7
87.00906	22.7
89.02459	21.2
92.10076	6.3
95.01392	14.0
99.00916	19.5
101.02457	4.9
110.14336	3.3
113.02443	56.8
113.06105	25.4
117.01980	4.3
120.63447	4.1
120.99659	6.1
122.06117	6.3
145.03020	6.3
148.04083	3.7
161.06036	4.3
163.04001	4.6
163.06329	5.4
164.03577	6.5
183.10374	6.0
195.05344	4.7
209.83620	4.0
214.18250	4.2
229.31065	5.2
249.06256	14.4
267.07263	100.0
285.12628	36.2
287.10422	7.2
303.13620	6.7
363.12933	73.9
363.16809	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	7.7
59.01390	55.6
61.50869	3.8
67.00108	4.0
71.01392	46.6
72.99295	5.1
75.00868	33.1
85.02953	50.1
87.00895	18.9
89.02454	17.5
95.01393	9.6
99.00888	20.7
113.02486	46.3
113.06094	64.1
129.01982	4.8
140.12621	5.0
140.17197	4.8
191.48799	4.4
249.06183	36.9
267.07260	74.6
363.13019	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	363.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32957	0.5
53.59450	0.5
55.01891	0.9
57.03466	4.0
58.25321	0.6
59.01393	22.6
60.61854	0.5
60.69673	0.6
67.01929	1.0
68.99834	0.8
69.03486	0.9
71.01386	22.6
72.77409	0.6
72.99311	5.7
73.02956	1.3
75.00876	17.6
85.02956	19.2
87.00867	8.1
89.02457	6.0
90.56664	0.5
95.01391	4.8
96.96022	0.8
99.00878	10.7
103.00358	1.3
113.02464	21.2
113.06092	100.0
115.00397	1.5
117.01934	2.5
129.01950	1.0
175.02528	1.2
178.05133	0.8
187.06302	0.6
189.03999	0.8
189.28087	0.7
201.11334	0.6
205.07213	1.2
231.05096	2.5
249.06178	18.4
267.04587	1.1
267.07248	19.2
276.28241	0.8
345.11896	0.9
363.13025	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2755
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
59.01385	4.8
71.14640	0.7
75.53950	0.8
78.32507	0.8
90.25336	0.7
93.95010	0.7
110.04913	0.7
136.27985	0.8
149.34927	0.8
340.80933	0.8
361.27560	100.0
362.27707	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	363.0758
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
52.47967	0.3
54.83117	0.3
54.86704	0.3
55.01853	0.3
55.82076	0.4
57.03458	0.8
58.31352	0.3
59.01387	16.4
64.35182	0.3
65.20786	0.3
66.61006	0.3
71.01382	10.0
72.99324	1.9
73.02958	1.5
75.00877	1.9
79.95747	3.5
80.96529	2.4
83.01394	0.9
84.60725	0.3
85.02952	6.0
87.00894	1.5
89.02447	6.1
92.10779	0.7
93.13626	0.3
95.01374	1.4
95.95233	0.5
96.96012	100.0
99.00886	1.7
101.02435	5.7
110.06158	0.5
113.00707	0.5
113.02458	4.9
113.06094	7.2
119.03550	0.8
120.99634	3.3
122.06121	0.6
122.97598	1.8
123.08138	2.6
138.97096	1.9
150.97047	1.4
155.10785	2.4
163.06387	0.8
164.07214	0.5
164.98643	0.6
180.98097	1.5
183.10260	0.5
195.05388	2.3
196.93320	0.4
201.11365	8.4
227.10646	0.4
241.00275	3.8
242.47421	0.4
249.06328	0.4
257.15472	0.5
267.07275	2.9
267.11523	0.5
273.12625	1.7
274.86011	0.4
279.32889	0.4
285.12448	4.8
303.13477	7.4
363.07614	93.2
363.12430	2.9
363.16724	18.0
364.07782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75597	0.4
59.01387	91.6
62.62241	0.4
68.62604	0.4
71.01405	0.9
80.02674	0.5
83.05051	2.1
84.02156	0.7
91.04027	0.5
95.05036	0.6
96.96017	3.0
108.02244	0.6
111.08170	0.6
125.09686	0.4
138.01933	0.8
163.11307	2.5
165.12880	1.8
209.11870	100.0
210.12230	1.0
227.12946	4.8
330.24118	0.4
361.18832	3.4
361.48819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.9
61.98854	0.4
65.86709	0.4
71.72070	0.4
257.50873	0.4
279.23343	100.0
280.23798	1.8
323.82608	0.5
361.23676	16.3
361.27887	0.8
384.70966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
62.69698	1.1
67.00780	1.0
92.10222	1.3
94.60165	1.1
117.43092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03231	2.4
59.01390	100.0
80.01850	2.9
121.95960	3.0
124.53882	3.5
135.77881	3.3
251.70732	3.2
273.43112	3.5
303.14014	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	361.1509
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.01891	1.2
57.03463	1.2
59.01384	60.0
59.92594	0.7
64.97083	0.9
69.03458	1.9
71.01379	25.8
72.99301	4.3
73.02956	1.7
75.00867	1.0
79.95731	20.2
80.96511	17.7
83.01403	1.0
83.05019	1.3
84.77918	0.9
85.02966	6.9
87.00880	17.0
89.02444	16.9
91.89607	0.8
93.03458	1.1
95.01371	1.9
96.96001	7.4
101.02445	11.3
102.98594	1.1
107.08685	19.8
111.04549	1.5
113.02460	8.2
119.03513	6.3
119.08648	1.8
123.08213	3.1
126.95293	2.2
152.96857	4.2
163.07570	1.0
168.96330	4.2
181.08722	23.3
191.05611	5.0
196.95847	14.3
199.09775	30.8
213.05890	2.1
214.96941	6.8
237.14946	1.8
281.14099	1.7
324.44540	0.9
361.00443	3.2
361.09894	11.4
361.15060	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	361.1508
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03453	4.8
57.63297	1.0
59.01386	51.3
71.01383	23.6
72.99316	8.3
73.02937	1.6
79.95737	13.4
80.96527	7.7
83.01420	2.0
85.02972	10.1
85.52001	1.2
87.00874	10.3
89.02449	24.4
92.10102	2.4
93.03482	2.4
93.07093	7.9
96.45856	1.2
96.96028	5.1
101.02448	13.1
106.06668	1.4
107.08637	1.3
108.04561	2.0
109.06603	1.4
113.02448	9.2
119.03493	6.1
119.04988	1.4
119.08670	29.8
120.99628	2.2
135.08176	5.4
137.02415	1.7
145.02933	2.8
148.04012	6.1
152.96825	2.0
163.04066	1.6
163.07736	10.2
171.11848	1.3
173.04549	2.9
176.88647	1.5
178.05107	1.7
181.08734	16.9
188.36505	1.3
189.49124	1.2
191.05605	10.1
196.95854	6.9
199.09801	26.1
221.08177	1.4
274.90878	1.4
301.43045	1.3
309.46866	1.5
361.10004	6.8
361.15079	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	361.0932
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
52.72980	0.9
59.01390	7.5
67.01907	2.0
68.61530	0.9
70.88525	1.2
71.01400	1.8
72.99307	31.3
72.99690	1.6
85.58167	1.0
88.41656	1.3
89.02456	1.5
93.03449	13.3
107.05029	1.3
119.05037	1.1
133.02937	1.8
135.04536	1.4
148.04120	1.3
153.74988	1.4
161.02467	2.9
173.04597	5.7
181.06630	1.8
193.06580	14.0
207.08150	16.1
209.06123	2.8
211.07658	6.7
219.08177	25.8
223.07721	5.4
225.09288	16.5
235.07721	13.2
237.05550	4.5
237.06628	1.5
237.09235	48.8
241.08720	4.5
251.07178	2.4
253.08725	41.0
256.07620	1.4
263.07147	8.9
268.24817	1.4
269.08316	9.8
271.07123	1.6
279.06827	1.8
281.08200	25.5
297.07727	14.1
299.09341	9.0
307.05972	2.3
315.08789	74.6
325.07309	7.5
343.08292	47.9
361.09372	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	361.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79949	0.9
59.01387	22.3
60.97538	5.2
61.27887	0.9
67.01914	1.6
71.01392	6.5
72.97533	43.1
75.00896	0.9
78.95905	15.6
79.95744	1.6
82.01330	0.9
85.02972	6.3
85.06635	1.4
87.00870	1.9
92.10146	2.4
95.01422	1.0
96.96016	100.0
96.96944	27.3
99.00874	1.2
101.02449	2.0
109.02943	2.1
111.00900	4.5
113.02462	3.9
121.02911	1.2
123.00893	47.4
124.01687	5.7
133.96808	9.1
134.97604	10.1
135.04533	8.8
137.02394	1.3
138.02162	1.8
138.03239	29.2
139.02290	1.3
139.04066	7.2
149.02463	1.6
150.98615	0.9
151.04024	4.4
161.04565	5.8
173.04617	1.8
179.03625	1.7
181.05070	1.5
191.05673	1.2
191.15247	1.3
205.51224	1.0
249.06180	6.2
252.92998	1.1
301.09241	12.0
361.07779	4.4
361.12637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28156	0.4
59.01385	26.4
60.23374	0.4
65.79533	0.4
89.52856	0.5
105.97417	0.6
243.48802	0.5
275.20258	0.6
276.20334	0.5
277.21762	100.0
359.22101	18.9
362.58636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.7
72.97540	0.4
75.56081	0.3
78.95936	0.5
83.79402	0.3
93.03474	0.4
94.02982	49.6
96.96011	7.0
96.96960	0.5
110.35179	0.3
134.04749	2.2
135.04530	1.8
136.04851	2.0
138.01979	100.0
191.05650	0.5
198.04961	0.7
273.10486	0.4
300.07568	0.4
343.10983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.8
57.03468	1.3
58.00607	1.6
59.01390	100.0
71.01392	39.3
71.01779	1.4
72.99328	2.6
73.02954	1.2
81.03458	0.6
83.01414	2.4
85.02974	10.3
87.00868	1.1
89.02456	51.7
95.01397	3.5
101.02456	19.9
109.03043	0.6
113.02464	14.4
119.03509	16.5
119.05004	6.0
121.02979	4.5
123.00845	1.0
131.03508	0.8
133.02924	0.7
137.02451	6.1
138.03212	0.9
139.00467	0.9
139.04018	1.2
143.03516	1.4
153.05582	5.2
155.03540	0.7
161.04582	3.3
165.01933	2.7
166.99872	1.1
179.05653	15.9
180.04321	0.9
181.01442	2.7
182.02234	3.8
195.06749	0.7
196.03836	2.9
197.04590	20.0
197.08282	0.7
211.06163	3.1
212.99054	0.6
224.03273	1.4
239.05597	12.3
266.83551	0.7
299.07837	1.4
359.09924	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22019	0.6
55.01929	0.6
59.01387	100.0
70.06718	0.6
71.01395	4.3
75.28912	0.7
85.02991	3.0
93.03470	1.4
93.83450	0.7
95.01371	0.9
97.52065	0.7
101.02485	1.5
101.52222	0.7
112.99950	0.7
113.02502	1.1
119.05031	53.5
123.00887	20.2
137.02557	2.0
137.06093	47.9
138.03244	21.2
153.05612	6.6
161.04588	4.8
166.99866	3.7
182.02203	15.2
191.05698	0.9
197.04582	25.9
202.77646	0.8
218.41808	0.8
218.58681	0.7
270.28992	0.7
359.09821	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	359.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.3
71.01381	1.1
72.99311	0.9
83.01413	0.5
85.02984	0.6
89.02472	0.7
93.03450	56.3
96.96010	2.3
97.06638	0.6
101.02455	0.6
109.02950	4.1
113.02449	0.8
116.92911	0.6
121.02949	0.7
123.00880	3.6
133.02963	2.3
134.03780	0.7
135.04524	100.0
137.02443	63.0
138.03230	6.1
151.03931	1.5
153.05583	1.1
163.67140	0.6
166.99834	1.0
182.02197	3.7
188.58118	0.5
191.05585	2.1
197.04556	6.2
198.53928	0.5
203.38289	0.5
218.06706	0.5
297.09805	11.0
299.07730	1.9
323.13406	6.5
359.09900	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	359.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91257	0.7
53.82723	0.7
58.00615	1.0
59.01385	33.6
71.01382	13.3
72.99292	0.9
73.02956	1.0
79.95747	8.5
80.96494	2.8
81.03498	1.3
82.78928	0.7
83.01395	1.7
85.02969	5.7
87.00853	1.1
89.02438	10.4
92.91724	0.7
93.03465	1.6
95.01373	2.0
95.46471	0.7
97.02974	1.1
101.02434	4.4
106.00561	0.9
109.02961	4.2
113.02437	3.7
120.99669	1.1
121.02957	27.0
123.00899	7.9
125.99636	1.0
127.00373	1.1
134.03712	0.8
136.99046	1.6
137.02446	17.5
137.99614	0.9
138.03200	4.9
139.00371	3.3
139.04036	12.0
153.01874	1.1
153.05606	22.1
153.99089	1.2
155.03548	5.6
164.98637	1.7
165.01947	1.0
166.99852	3.8
180.04367	0.9
181.01433	26.8
182.02219	16.2
183.02963	4.5
191.05666	10.0
195.02910	1.9
195.06619	0.9
196.03806	16.1
197.04584	59.0
211.06204	16.1
224.03282	19.4
225.04109	1.9
229.01479	1.9
239.05641	100.0
269.06641	10.6
277.47629	0.8
299.07767	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01389	2.7
60.97538	0.6
61.15527	0.5
67.01877	0.6
72.68355	0.6
72.97534	1.0
73.02925	0.7
74.78950	0.6
76.66447	0.6
85.02924	0.7
95.01378	4.9
104.09296	0.7
109.28892	0.6
123.00879	79.4
137.02419	1.1
138.03226	88.0
153.05574	23.1
166.99857	22.0
168.28419	0.7
182.02219	59.0
188.83696	0.6
197.04564	100.0
238.70732	0.8
270.77234	0.7
359.09695	3.1
372.87668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20146	0.7
59.01388	100.0
71.80650	0.9
86.73887	0.9
96.36024	1.1
118.72517	0.9
132.98233	1.9
157.03519	1.7
157.55865	0.9
159.01450	1.7
163.04240	1.0
174.99261	21.7
201.02589	23.1
203.58089	0.9
213.50322	1.1
217.00337	78.7
359.01569	1.6
359.24445	4.3
371.35583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84036	1.1
51.97022	1.0
54.80511	1.0
54.82592	1.0
57.03449	1.4
59.01382	100.0
64.88433	1.1
70.89715	1.0
71.01379	43.5
72.99297	1.9
80.01936	1.3
83.01419	1.4
84.77869	1.1
85.02944	11.1
89.02440	39.6
95.01380	1.8
101.02443	17.0
101.73421	1.2
113.02465	16.1
119.03532	9.1
121.02946	13.6
121.35268	1.2
123.00868	4.6
137.02496	9.1
137.99615	1.8
138.03230	2.2
138.19754	1.1
153.01869	1.4
153.05594	10.9
155.03522	1.7
158.89244	1.1
165.01842	2.2
166.52881	1.2
166.99878	2.8
179.05611	4.5
180.04333	1.5
180.09914	1.1
181.01448	8.1
182.02234	8.9
196.03822	7.3
197.04564	34.8
211.06146	6.5
224.03336	2.4
239.05638	26.1
269.06680	2.3
299.07776	4.7
359.09894	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
73.13430	80.5
87.71644	80.5
126.37685	87.1
174.06721	95.2
184.56473	89.7
216.00113	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	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
67.76935	0.8
92.10782	1.2
127.31674	0.9
132.98181	3.7
139.50305	1.2
157.03529	2.3
159.01508	1.3
164.37071	1.0
174.99269	26.4
201.02586	21.6
216.98239	2.6
217.00328	76.7
228.06085	1.1
359.01450	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
114.98879	0.6
132.98190	2.7
157.03619	3.9
159.01515	1.8
170.59581	0.5
174.99278	27.9
201.02603	18.1
217.00348	73.4
242.25352	0.5
312.16205	0.5
359.01544	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	358.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12439	0.5
57.06995	0.4
59.01392	0.6
61.98835	100.0
73.58703	0.5
87.39981	0.5
124.56917	0.5
158.57956	0.6
186.48929	0.6
345.88803	0.5
365.08212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.229
Annotation	oscr#21
Peak:m/z	Relative Intensity
57.03456	4.0
59.01400	14.9
70.08009	2.5
85.37527	3.1
111.08134	4.2
121.02927	6.3
125.09715	13.4
139.11305	82.8
153.12886	3.2
159.10248	3.3
159.85846	2.9
173.11830	38.8
183.10289	27.9
192.95824	11.4
197.11778	4.1
200.76895	3.2
201.11359	32.4
215.12978	3.3
241.65405	2.8
295.22766	4.0
300.54556	3.2
309.10715	3.1
314.49081	3.0
329.79843	3.0
339.21899	4.7
353.76785	3.0
357.22855	100.0
362.16846	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	357.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17920	0.2
51.55089	0.2
54.03305	0.2
55.01882	0.3
57.03468	0.4
59.01389	4.2
62.02769	0.3
67.63408	0.3
71.01385	3.0
72.99325	1.9
73.02955	1.6
74.52874	0.3
75.00868	13.0
75.20829	0.3
76.57623	0.3
77.57323	0.3
85.02966	1.9
87.00876	34.4
88.07239	0.3
89.02468	1.9
95.82095	0.3
96.50889	0.3
99.00880	5.6
101.02444	1.9
105.01938	30.5
115.00424	0.6
117.01967	1.2
118.33109	0.3
119.03505	0.6
129.01923	2.3
133.01431	0.8
133.05070	1.3
135.03050	0.5
142.19012	0.3
147.02989	4.4
147.53200	0.4
165.04050	100.0
191.05650	3.5
209.10886	0.3
234.22235	0.4
257.85443	0.3
280.15674	0.4
297.11929	1.2
357.10519	0.5
368.45786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76135	0.8
52.03088	0.9
54.27913	0.7
54.57430	0.8
57.36665	0.8
59.01389	2.3
66.87330	0.8
74.42627	1.0
85.02942	1.4
93.03487	4.2
106.06666	6.6
107.06995	4.9
108.20963	0.9
109.02963	17.7
118.52190	0.9
119.05036	9.8
121.02992	5.5
125.02444	1.9
129.03477	10.9
130.04221	1.1
130.49779	0.9
133.03012	6.9
135.04555	1.5
137.02438	4.0
145.02983	19.0
146.03760	46.4
146.51503	0.9
147.04547	100.0
150.05597	1.4
151.05945	2.2
159.04535	4.2
161.02461	51.3
162.03247	37.1
165.40073	1.0
173.02534	6.8
173.04567	1.0
174.03236	1.6
175.04042	1.5
176.04828	18.7
177.05498	1.1
180.89284	1.0
191.03586	1.4
191.07201	1.8
194.04599	1.1
209.06067	1.8
227.07220	4.1
237.05634	3.9
255.06570	4.4
265.05093	6.3
266.05838	1.7
283.06171	20.4
283.44916	1.0
288.32999	1.0
297.07861	2.0
298.08487	13.3
313.10873	62.1
314.11481	1.0
357.09973	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	356.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.9
61.98835	100.0
316.26501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03449	0.3
59.01381	4.9
65.80402	0.2
71.01372	4.1
72.99320	2.3
73.02950	1.4
75.00484	0.2
75.00869	13.7
85.02944	2.0
87.00875	35.2
89.02438	2.2
99.00879	6.6
101.02432	2.5
105.01936	32.3
113.02453	0.2
115.00365	0.6
117.01940	1.5
119.03515	0.4
129.01942	2.0
133.01459	1.5
133.05054	1.7
135.02962	1.0
135.06731	0.3
147.03012	5.0
165.04050	100.0
185.10120	0.2
189.68181	0.2
191.05650	2.9
226.24188	0.2
231.43735	0.3
245.07137	0.2
297.11798	0.6
301.40091	0.2
354.36124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56628	0.2
56.36105	0.2
61.98832	100.0
70.13217	0.2
75.64771	0.2
153.80647	0.2
177.19191	0.2
178.07628	0.2
195.86513	0.3
220.14696	0.3
221.15440	0.9
236.10600	0.3
293.17480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80664	0.2
59.01396	0.3
61.98836	100.0
64.33712	0.2
70.49103	0.2
243.78442	0.2
247.93556	0.2
343.47803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1254
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
50.13112	1.0
55.01881	4.6
57.03453	11.5
59.01388	63.7
59.51150	1.0
67.50684	1.2
70.45539	1.1
71.01387	41.5
72.99294	1.8
73.02948	9.3
75.00873	2.5
83.01403	5.5
84.02181	1.9
84.16419	1.1
84.63197	1.3
85.02956	100.0
87.00890	3.1
89.02447	37.4
95.01367	1.7
101.02447	24.6
113.02461	13.1
115.04003	2.4
119.03509	11.3
129.01965	2.4
131.03455	2.2
132.04932	1.2
133.05067	12.4
135.04539	2.4
143.03584	2.1
147.03044	2.4
149.04582	6.8
161.04570	10.2
163.06129	2.0
179.05632	9.0
191.02043	11.7
191.05699	2.6
192.06070	1.6
193.07285	1.8
209.03053	18.6
221.06709	1.7
223.08269	2.6
235.08266	2.6
355.12726	9.5
379.39178	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	355.2283
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.70613	1.4
58.17606	1.3
58.30796	1.5
75.99304	1.5
77.43505	1.7
84.60285	1.5
85.02944	1.8
101.25197	1.4
115.10152	1.7
122.03750	8.6
135.04535	18.0
147.08179	3.7
149.09737	7.6
152.03412	1.8
161.09804	13.6
163.07635	1.9
163.11298	62.0
164.08450	24.7
165.09253	2.9
177.09236	100.0
178.10031	17.9
179.10802	66.7
183.10205	1.6
187.11290	2.2
191.10803	6.7
218.09802	1.8
298.15741	29.3
337.21835	59.6
340.20490	82.3
355.22916	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57760	0.8
50.69516	0.8
51.18060	0.9
52.49833	1.1
52.82406	0.8
57.03465	2.0
58.99612	5.6
59.01384	44.9
64.34792	1.2
71.01378	19.6
72.99321	1.8
77.00675	1.9
82.41334	0.9
85.02961	16.3
87.00879	1.3
89.02435	12.2
90.98590	1.6
101.02451	5.9
102.98611	5.1
104.78027	1.0
111.00860	1.1
113.02435	4.4
119.03488	1.5
119.05017	2.2
120.99662	4.5
129.00211	1.1
132.02194	15.4
133.02948	11.3
134.03745	100.0
135.04523	2.3
137.02457	4.0
137.77202	1.0
144.72708	1.0
147.04535	14.5
148.05290	5.6
149.06094	22.1
151.03983	1.1
160.01663	83.9
161.02435	6.2
163.04050	1.0
175.04008	75.9
176.04797	33.3
177.01920	6.7
177.05716	1.5
178.02690	13.9
179.03519	1.4
191.00288	1.7
191.01990	1.9
191.05460	1.4
191.07167	37.6
192.04216	1.1
193.05066	69.2
202.02756	1.6
207.06638	7.7
209.01242	4.7
209.03079	3.7
217.05087	4.7
220.03807	4.0
235.06125	60.8
236.43936	1.0
265.07217	24.4
295.08261	60.0
355.10379	5.9
368.94803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21766	0.8
55.01885	1.7
56.15903	0.7
56.43472	0.7
57.03474	3.8
59.01388	46.4
66.56274	0.8
71.01390	21.8
72.97556	1.6
72.99325	1.4
75.00890	1.0
83.01401	1.2
83.05055	0.8
85.02954	25.7
85.03457	1.1
86.30317	0.8
87.00900	1.3
89.02443	11.6
89.59778	0.8
95.01399	1.0
95.74209	0.8
101.02457	6.2
113.02489	5.5
117.03466	2.2
118.71760	0.8
119.03494	1.6
119.05016	1.7
119.55042	0.9
123.04631	0.9
132.02194	21.5
133.02951	9.7
134.03752	92.2
135.04510	1.3
136.01619	1.1
137.02461	4.0
147.04538	11.7
148.05328	6.1
149.05019	1.6
149.06097	19.5
151.03938	1.6
160.01677	100.0
163.04037	1.0
163.07668	1.4
175.04022	90.6
176.04813	27.9
177.01947	5.8
178.02724	12.7
191.02116	3.2
191.07185	35.7
193.05086	70.0
202.02818	2.1
207.06689	5.5
209.03081	5.0
217.05110	5.9
220.03845	4.8
220.64493	0.9
235.06180	52.1
265.04605	1.7
265.07211	26.3
265.43457	0.9
268.13620	1.0
295.08295	59.4
319.14136	1.0
346.30435	1.0
355.10406	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89471	0.9
56.43468	0.9
57.03469	5.1
59.01385	17.9
59.47268	0.9
61.98835	1.8
71.01385	10.0
72.93302	0.9
72.99327	1.3
73.02973	1.1
74.99107	1.4
79.40291	0.9
85.02956	29.9
87.00870	1.5
89.02465	5.6
93.03461	1.1
101.02460	2.1
101.06086	1.0
113.02461	2.1
113.09548	1.1
115.38675	0.9
118.98164	1.3
119.03490	0.9
119.04997	1.2
124.03959	1.0
131.44533	1.0
132.02170	23.8
134.03745	29.0
137.02498	2.0
145.03033	1.1
147.03090	1.1
149.06119	7.3
160.01666	100.0
163.04037	2.2
175.04010	98.2
178.02673	10.1
191.01974	4.9
191.03519	6.7
191.05602	6.1
191.07086	1.3
192.06094	1.8
193.04984	28.4
203.03477	1.2
206.05907	4.2
207.06714	1.1
209.01294	1.2
209.03050	8.2
210.50446	1.0
217.05139	4.8
221.08174	3.7
235.06145	2.2
277.84436	1.0
285.30237	1.2
295.08313	1.3
308.56445	1.3
319.13287	2.3
355.10428	7.7
355.14160	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	355.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07752	0.6
54.82566	0.8
55.01894	4.2
57.03195	1.2
57.03456	18.6
59.01384	12.0
68.99799	0.7
71.01391	8.2
72.99301	2.3
75.00864	1.6
83.01392	1.4
84.02177	3.3
85.02954	100.0
87.00844	1.1
89.02439	3.9
97.86535	0.7
101.02473	1.3
103.00375	1.1
115.00394	0.9
115.80798	0.8
119.05031	3.8
129.01915	6.5
132.50647	0.8
133.01414	3.5
142.85417	0.9
147.02997	6.0
148.26848	0.8
163.04024	1.5
163.06165	1.4
191.01974	18.2
191.05576	1.3
209.03049	30.7
249.06160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.05
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01394	3.6
68.99825	1.5
71.67341	0.5
72.01215	0.6
73.01179	6.2
74.99098	0.5
83.01399	2.7
85.02952	7.8
87.00890	10.4
90.98595	100.0
92.10102	1.4
96.96008	8.2
102.98624	0.7
105.35540	0.6
117.00163	6.1
117.03494	1.4
132.02165	1.1
132.99690	1.0
134.03749	19.0
135.01195	4.2
144.77412	0.7
149.06157	1.1
160.01657	6.5
160.99188	12.5
161.02492	0.9
175.04018	11.4
178.02679	0.6
179.00235	39.2
191.05609	1.0
191.07161	7.3
193.05086	7.6
209.03021	0.8
219.06696	1.2
263.05670	2.6
339.06570	0.6
355.10883	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	353.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30130	1.5
63.83942	1.6
79.95736	9.2
89.29609	1.6
95.95211	1.8
96.96008	100.0
116.92803	1.8
122.97549	3.4
131.94099	1.9
149.36867	2.3
191.05724	15.6
213.52798	1.7
230.36250	1.8
302.06216	1.8
353.20068	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2127
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01396	0.3
73.48138	0.3
80.92477	0.2
93.14430	0.2
112.54510	0.3
113.07690	0.3
115.33167	0.2
124.63530	0.3
156.80858	0.2
163.11308	100.0
164.11667	0.3
177.09229	71.4
178.09607	0.4
191.05591	1.1
196.72472	0.3
222.08942	0.5
232.99585	0.3
353.21301	74.7
354.21692	1.1
358.54800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88510	0.2
59.01391	0.4
60.59541	0.2
60.90426	0.2
61.54505	0.2
61.98834	100.0
62.27872	0.2
66.66580	0.2
72.52197	0.2
73.01759	0.2
82.98247	0.2
92.10864	0.4
93.80924	0.2
125.47233	0.2
129.16650	0.2
142.65887	0.3
197.97028	0.2
208.41481	0.2
214.52553	0.2
254.40709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03448	0.3
59.01385	4.6
67.01911	0.4
70.39486	0.2
71.01383	4.4
72.07621	0.2
73.02949	2.1
83.01392	0.4
83.05062	0.2
85.02961	12.7
87.00880	2.3
87.99829	0.2
89.02466	0.5
93.03462	5.5
95.83899	0.2
97.25954	0.2
99.00919	0.3
99.04529	0.3
101.02446	3.5
109.02947	1.0
111.04546	1.8
113.02474	2.0
127.04018	3.1
129.02028	0.2
133.02977	1.2
134.03775	2.1
135.04538	17.3
140.71364	0.2
148.35063	0.2
155.03543	0.4
161.02547	2.1
161.04568	0.9
168.23184	0.3
171.02982	0.5
173.04568	1.5
179.02034	0.5
179.03513	10.1
191.05638	100.0
192.05956	0.8
221.10316	4.7
353.08875	4.0
353.14523	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	353.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24733	0.7
59.01387	43.7
60.99318	1.5
67.01904	5.0
69.03477	0.9
71.01388	19.7
73.02965	1.5
75.00889	1.1
78.95910	14.0
81.03481	1.5
81.33272	0.9
83.01382	1.3
85.02934	6.2
85.28872	0.8
87.00881	9.8
89.02445	16.6
92.10168	1.7
93.03460	41.1
95.01424	1.2
96.96970	9.7
99.00894	1.1
101.02448	9.7
105.01960	7.6
109.02959	1.2
111.04528	7.4
113.02459	4.7
119.03507	4.3
137.02448	3.8
143.03543	1.1
155.03532	4.4
156.91228	1.1
165.04070	17.1
172.90034	1.3
173.04564	29.4
191.05658	10.4
194.93756	1.4
235.99838	0.8
239.72453	0.9
286.51385	1.0
353.10977	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	353.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21808	0.5
55.01886	4.4
57.03450	2.8
59.01384	22.8
71.01385	22.3
71.62164	0.5
73.02954	15.1
83.01419	5.6
85.02962	25.4
87.00902	3.5
89.02464	4.0
92.10136	0.7
93.03451	5.0
95.01402	0.7
99.00885	4.0
101.02448	24.2
109.02949	1.1
111.00889	0.9
111.04496	1.5
113.02468	11.5
123.94640	0.6
124.10600	0.7
124.11461	0.8
125.02451	1.3
127.04041	2.9
131.03479	0.9
133.02933	1.2
135.04523	11.0
143.03549	0.7
161.02466	1.5
161.04613	8.0
173.04524	1.4
179.03514	6.1
191.05646	100.0
199.86533	0.7
221.10352	31.3
238.92062	0.7
329.16086	0.7
353.09821	1.1
353.14563	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.75547	0.2
59.01393	1.9
71.01397	0.4
83.05035	0.5
85.02956	12.6
87.00892	2.3
91.26036	0.2
93.03458	4.1
99.04504	0.4
109.02959	1.1
111.04530	1.6
127.04016	3.3
133.02957	0.7
134.03709	0.3
135.04535	1.5
138.84514	0.3
155.02286	0.3
155.03539	0.4
161.02469	1.2
171.03014	0.6
173.04536	1.4
191.05632	100.0
192.06088	0.6
195.54366	0.3
245.32703	0.3
353.08752	0.7
365.50861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0883
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
50.59577	0.5
51.78642	0.6
52.66676	0.5
57.03469	0.9
59.01396	4.6
63.59357	0.6
67.01897	6.8
69.03465	0.8
71.01402	3.4
79.62763	0.7
81.03473	1.1
82.06896	0.7
83.05067	1.2
85.02960	15.2
87.00906	1.5
93.03455	35.2
99.04536	1.2
107.05058	1.1
109.02995	1.3
111.04536	6.1
127.04027	4.1
133.02968	1.6
134.03752	5.7
135.04533	100.0
137.02417	6.2
155.03526	6.1
161.02386	4.9
173.04562	85.3
179.03513	56.7
180.04045	0.7
189.08902	0.7
191.05629	71.9
210.10501	0.6
353.08844	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	351.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	3.2
59.01383	13.9
61.20599	0.5
67.01887	0.8
68.99828	0.9
71.01379	15.3
72.99313	3.5
73.02946	1.0
75.00870	13.2
81.84324	0.6
85.02950	14.5
87.00865	7.8
89.02448	3.5
93.03464	3.5
95.01407	3.5
99.00888	7.7
101.06079	100.0
105.03481	2.5
113.02463	11.5
115.00429	1.1
117.01958	2.6
128.89488	0.6
129.01941	1.1
133.02992	7.6
135.04526	0.6
143.04642	0.7
173.04524	1.4
177.01941	2.4
191.05600	4.2
231.05058	0.8
249.06149	11.2
253.14134	0.7
267.07083	1.0
333.11954	1.4
351.12994	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03042	47.2
59.01379	100.0
61.65198	46.5
62.44941	54.4
63.90384	54.1
63.90720	51.0
65.40333	52.9
68.29334	59.9
75.73117	50.7
116.92908	66.7
136.26753	60.3
146.40173	62.0
160.04784	59.4
179.90480	59.8
321.22736	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2386
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
52.45134	1.7
54.34598	1.9
71.05047	2.2
84.02349	2.4
108.77093	2.3
129.09206	4.9
157.65170	2.7
261.22263	3.9
303.23407	3.1
305.21857	2.4
305.24982	25.0
349.23917	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	351.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37434	1.0
57.03454	24.3
59.01396	9.6
64.82051	1.1
68.99576	100.0
71.01387	3.2
73.02968	2.6
77.03992	1.6
85.02964	1.9
87.93365	1.4
89.02491	1.8
93.03465	2.1
95.05042	6.3
97.02943	1.9
99.00868	2.9
101.02444	48.0
105.03479	16.5
112.98576	65.6
115.00367	1.7
127.07651	1.7
133.02951	70.3
145.01443	62.5
155.03485	2.3
159.02985	6.5
173.04572	7.2
177.01947	21.4
177.70097	1.6
189.07698	2.8
191.05681	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	349.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73972	2.4
54.82826	2.5
59.01371	4.3
60.41363	2.6
70.99844	3.0
79.68961	2.8
89.87836	2.7
99.60755	3.0
102.66969	3.8
121.10265	14.2
126.97235	3.1
141.69722	3.7
185.11845	5.4
214.29584	3.5
235.32129	3.6
245.19106	3.7
291.19833	27.7
313.17908	100.0
349.15485	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	349.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82372	3.3
59.01387	76.5
61.98852	3.4
62.57165	2.3
70.17487	2.4
99.47110	2.3
153.16440	2.5
163.02522	3.9
205.07277	40.1
245.10393	24.0
273.13553	11.1
289.13611	4.7
289.16638	100.0
352.37753	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	349.2028
Annotation	Thromboxane A3
Peak:m/z	Relative Intensity
50.58730	1.3
51.93699	1.4
54.86724	1.4
59.01387	14.3
61.98847	2.4
62.07410	1.3
64.34741	1.3
183.21724	1.7
242.13136	6.7
253.16049	7.4
271.17056	23.4
287.17047	2.1
287.20184	60.8
305.21295	8.6
331.19370	1.9
349.20239	100.0
349.23618	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	348.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63066	0.4
55.10638	0.4
59.01384	100.0
60.39821	0.4
61.43633	0.4
61.98826	0.6
62.22112	0.4
78.43459	0.5
95.80405	0.4
122.63520	0.4
142.59506	0.4
332.76648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25829	1.1
57.03466	5.7
59.01390	27.3
64.22189	1.1
69.03477	1.3
69.12919	1.1
71.01384	22.5
71.18169	1.0
71.80422	1.1
72.99333	5.9
73.02943	1.6
75.00878	21.3
85.02950	20.8
87.00903	8.0
89.02465	8.1
89.02998	1.2
95.00781	0.9
95.01410	6.7
99.00896	9.6
99.04522	100.0
108.04557	2.2
110.06164	4.8
112.36601	1.3
113.02463	23.0
115.00359	1.2
117.01968	2.1
125.61898	1.3
136.92712	1.1
138.05646	1.3
153.07413	1.1
175.02550	1.5
179.36967	1.5
229.13449	2.0
249.06180	20.0
267.07214	5.0
331.10544	2.2
349.07114	2.2
349.11465	63.6
349.15201	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	347.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27735	11.2
53.31207	10.8
54.82560	10.8
55.48575	9.9
59.01397	82.3
68.30006	11.2
68.82912	12.1
71.41234	10.9
105.79149	12.4
130.14171	13.7
184.06479	12.7
197.11684	12.8
293.21286	16.3
309.20697	17.8
311.22525	100.0
311.25729	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	347.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95603	9.6
61.85459	10.4
61.85835	10.8
63.44477	10.8
92.10131	15.2
137.09047	11.4
144.14426	11.9
171.10338	21.1
304.83847	12.7
311.22379	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	347.1715
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03457	2.0
58.00613	1.8
59.01387	78.2
71.01380	31.8
72.99321	7.8
85.02956	6.6
86.45921	1.8
89.02442	28.1
95.01383	1.9
99.08180	1.9
101.02435	14.6
113.02441	9.7
119.03516	10.1
139.11301	10.9
167.10780	100.0
185.11873	23.5
347.17169	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02656	2.0
51.81325	1.9
54.82569	2.3
58.02995	13.7
59.01389	100.0
60.01740	2.6
60.54476	1.8
61.98843	3.2
62.18792	1.8
77.78094	2.1
78.87945	2.2
153.05673	2.2
168.13966	25.5
179.57755	2.2
215.59753	2.6
259.52728	2.6
272.59772	2.4
304.19092	2.7
318.46234	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	347.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30006	0.7
64.34149	0.9
65.03978	1.1
70.48745	0.8
73.66935	0.8
81.03433	0.9
82.06606	1.1
82.10124	0.9
84.62356	0.7
85.29610	0.9
85.89956	0.8
93.03487	1.2
94.06609	1.5
95.05032	8.8
97.01702	0.9
102.52015	0.9
107.03782	4.0
110.06119	93.5
111.06467	1.0
116.05064	27.9
118.06625	7.9
122.06116	100.0
135.04536	1.2
144.04553	86.0
146.06097	3.8
147.03275	3.4
149.04816	0.9
162.05615	60.9
163.06367	4.9
188.03540	7.6
195.05417	6.3
209.91742	0.9
255.11412	14.9
267.11404	42.4
273.12509	11.9
285.12476	70.6
303.13504	15.5
347.12503	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	347.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67446	0.5
53.59440	0.5
54.55398	0.5
55.01889	0.7
59.01382	9.4
60.02316	0.7
69.66754	0.7
73.02959	3.1
82.21452	0.6
87.00902	1.5
120.00913	0.9
120.99686	0.7
122.38486	0.6
135.04506	0.7
137.09727	8.1
155.10789	100.0
199.09787	45.9
275.18652	6.3
347.13452	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	346.0561
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
54.82428	0.6
56.03193	0.4
58.28619	0.4
59.01408	0.8
61.10214	0.3
62.96428	0.7
78.95902	65.9
79.40486	0.5
85.74124	0.5
92.02539	0.6
92.10159	0.9
94.03038	0.5
96.96957	17.0
96.97594	0.7
107.03619	3.4
120.96953	9.2
133.54971	0.5
134.04726	53.3
138.01941	2.0
162.98146	0.4
168.70398	0.5
211.00151	100.0
213.11559	0.5
239.15504	0.5
342.80933	0.6
346.05597	10.6
348.06921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2755
Annotation	Anandamide
Peak:m/z	Relative Intensity
51.42807	2.9
53.34335	2.6
58.02984	17.3
59.01402	3.0
61.98838	4.2
65.36091	3.3
74.06889	3.6
74.96348	3.4
77.31554	3.7
81.97073	3.6
108.52400	3.5
128.10837	43.7
338.86133	4.2
346.27567	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	345.2286
Annotation	oscr#20
Peak:m/z	Relative Intensity
51.16682	0.7
57.03453	1.3
59.01395	3.7
61.98852	0.7
63.26776	0.8
67.43833	0.8
71.05021	0.8
125.09726	3.7
127.11322	2.1
139.11325	3.8
154.70168	0.9
155.10754	1.1
171.10326	3.8
201.11409	1.4
232.19417	0.9
236.64366	0.9
247.20695	14.6
265.21823	9.1
283.22577	1.0
291.19669	5.2
301.24396	1.3
309.20782	17.7
327.21817	23.3
345.22922	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	346.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67581	2.0
53.21235	2.7
59.01384	70.8
60.01726	6.1
61.38285	2.8
61.98835	29.0
72.38054	2.4
78.95895	25.1
86.92445	3.3
87.53210	2.7
92.54594	3.3
92.65244	3.3
96.96005	100.0
98.95592	4.2
108.55952	2.6
136.94041	41.7
136.95007	3.9
137.94113	61.1
137.95070	10.6
138.93707	3.6
179.96126	5.6
191.95082	3.0
201.02533	4.3
202.02742	22.8
203.02406	17.4
204.00061	3.3
204.02702	7.2
207.95801	21.5
219.94699	3.9
237.95929	15.7
267.97253	6.8
284.98331	5.9
285.98645	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89322	0.2
62.62516	0.3
67.24596	0.3
70.25455	0.3
95.05030	1.9
99.02083	0.3
112.48415	0.3
118.50698	0.3
121.06621	1.1
123.08164	100.0
124.08498	0.3
140.52209	0.3
222.12640	1.2
224.10457	0.4
227.96843	0.3
327.19861	0.3
338.40402	0.3
345.20703	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24856	78.7
76.58105	78.1
90.02159	64.3
108.70309	72.2
113.85308	68.8
114.15109	69.3
147.33438	68.6
262.96201	78.5
291.19901	100.0
356.75681	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82550	0.6
57.03453	0.8
57.44172	0.6
58.00590	7.0
59.01389	1.5
69.03456	1.4
71.01371	0.8
71.54195	0.6
73.02953	2.5
95.05006	4.9
97.06589	23.2
99.92739	0.7
123.08173	24.6
125.06054	1.2
135.08180	1.4
139.11256	3.0
141.09256	1.0
149.06094	0.7
169.13031	0.7
187.09734	0.8
189.12733	1.2
241.15855	2.8
243.14009	0.9
259.17108	1.5
267.17505	1.3
269.19131	9.8
285.18500	2.9
287.20227	31.5
313.17972	1.6
315.19724	5.6
317.21249	0.9
327.19562	4.5
345.20618	100.0
346.20847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.156
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01892	1.3
58.00605	1.4
59.01388	86.1
71.01384	33.5
72.99329	4.0
76.57370	1.0
83.01415	1.9
85.02962	10.7
85.91299	1.1
87.00914	1.4
89.02454	27.7
95.01398	2.4
101.02435	18.2
107.59868	1.1
109.57784	1.1
113.02485	10.7
119.03504	12.3
119.08668	1.8
121.10239	45.9
137.09743	14.7
165.09219	59.2
179.05585	1.6
183.10283	35.6
197.12566	1.0
198.84706	1.1
232.27525	1.2
331.69229	1.2
336.10834	1.3
345.15604	100.0
346.15851	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	345.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	96.1
62.31281	0.6
63.25922	0.6
64.91869	0.6
68.01394	0.8
71.01408	1.8
78.95928	1.2
85.02980	1.7
87.82629	0.7
95.01394	0.9
95.05047	1.4
96.96023	4.7
101.02463	3.1
111.02008	19.6
113.02480	1.2
118.98048	0.8
123.04530	100.0
137.02464	1.0
151.05133	5.7
161.04585	3.6
166.82199	0.8
211.00114	1.1
213.05211	22.2
309.11923	4.8
345.09399	4.7
354.35712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83315	0.6
56.65792	0.7
59.01389	1.1
73.98339	1.1
74.99097	17.2
87.56930	0.8
89.21203	0.7
110.02478	1.6
117.97317	6.1
118.98082	100.0
120.99696	0.9
121.02940	4.1
134.06099	1.8
135.04555	1.1
153.05608	0.9
167.98886	1.7
168.99666	1.1
175.62474	0.9
178.05148	1.8
183.01216	9.3
184.01968	1.8
191.05629	1.1
197.02827	1.2
197.04524	3.0
199.04349	4.1
225.27795	0.9
263.22729	0.8
280.45480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1098
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
56.26090	0.7
58.74072	0.7
60.81278	0.9
65.01536	0.7
67.14384	0.7
67.23066	1.0
70.61943	0.7
71.01360	0.9
76.48409	0.8
79.48831	0.7
82.33959	0.8
85.94415	0.8
86.83027	0.8
95.03773	4.1
96.08202	1.7
104.05065	1.6
106.06633	10.0
120.99651	7.7
122.06133	4.9
124.07690	14.1
132.04567	49.5
133.05339	34.3
134.06145	10.2
148.04036	1.3
150.05675	1.8
150.09338	1.0
153.12151	0.8
165.04324	35.5
165.05661	1.8
176.03519	1.0
177.04294	3.9
178.05132	1.4
184.07608	1.0
184.84218	1.1
185.08502	1.5
186.09328	7.3
188.29721	1.0
198.09247	1.0
209.03348	6.9
213.06728	6.6
214.12410	11.0
215.11928	13.1
226.07544	1.0
227.08356	1.2
229.09801	7.3
240.10301	1.8
241.09860	5.8
255.11345	1.4
257.13022	29.0
283.10989	10.8
301.12021	19.0
345.10986	100.0
346.11761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73622	1.2
52.84638	1.1
56.09754	1.3
59.01384	17.4
62.78901	1.0
63.10243	1.2
68.72076	1.3
119.58247	1.3
121.02954	2.1
121.10238	9.6
125.09741	2.4
127.11329	1.8
137.09770	1.8
139.11290	22.6
171.10280	74.6
201.02629	6.0
267.55457	1.5
324.61966	1.3
343.24969	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	343.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50969	0.7
59.01379	6.9
59.86869	0.9
59.97302	0.8
83.48826	0.9
84.20805	0.9
84.37395	0.8
99.08156	3.9
102.35947	1.0
109.06577	1.3
121.02951	4.3
121.10247	10.3
125.09754	1.7
127.11284	3.4
137.09695	1.7
154.31393	0.8
171.10277	50.3
193.12323	7.1
201.02551	2.1
219.44537	1.0
225.15005	10.9
230.87730	1.0
251.14319	1.0
289.18088	6.1
293.21191	1.9
343.24945	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	344.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25046	1.8
50.86947	1.8
52.70940	2.1
54.82534	2.3
55.01892	2.0
58.00561	2.4
59.01385	100.0
61.98842	14.2
71.01381	40.1
83.01394	3.0
85.02967	10.8
89.02441	34.8
91.33086	2.1
92.05060	11.7
96.95990	4.2
99.88351	2.1
101.02449	24.6
108.04572	4.7
113.02473	14.2
113.82328	2.0
119.03500	13.9
120.04562	36.5
122.06133	10.7
133.01509	2.9
136.04012	10.1
138.05612	65.9
138.06630	3.9
164.03539	80.8
180.06705	3.5
279.69009	2.3
300.10953	22.4
344.05963	3.7
344.09915	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35303	18.0
52.65697	15.0
54.17654	15.5
54.43736	16.8
56.71759	17.3
58.66901	13.5
59.01385	27.1
61.98848	20.1
66.18992	14.8
93.74135	15.4
94.36841	15.3
106.04213	19.9
116.92860	25.1
120.12325	19.2
167.42543	17.4
179.08084	17.4
217.07257	30.9
285.13434	22.0
300.98041	19.6
301.16635	100.0
330.57385	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	343.2129
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.66007	0.6
51.14948	0.5
52.48966	0.5
54.80458	0.7
57.03455	3.5
59.01394	3.8
62.26859	0.6
69.03481	3.2
71.01391	1.2
71.05043	1.4
72.99316	0.7
81.03467	1.0
83.05052	1.6
83.50822	0.6
84.02171	1.2
85.02971	8.4
92.64939	0.6
95.05019	1.1
97.02967	5.0
97.06601	3.1
103.51329	0.6
109.06644	0.7
111.08199	1.0
121.02990	1.2
123.08199	4.6
125.09734	3.1
127.11315	1.0
135.04494	0.7
137.09726	4.1
141.09210	7.2
151.11227	0.9
161.09727	0.7
163.11314	0.9
171.10275	14.8
181.12425	7.2
187.09770	10.1
209.11874	1.2
211.13371	1.5
226.77864	0.6
227.12981	1.2
229.14490	2.8
245.13911	1.3
307.19104	0.9
308.56821	0.8
325.20505	1.2
343.21332	100.0
368.16809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2495
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.81760	0.6
51.21430	0.5
59.01390	16.2
61.86827	0.6
63.73859	0.6
65.52702	0.5
69.03464	1.2
73.42105	0.7
83.05035	1.1
89.98449	0.8
99.08179	10.7
106.76373	0.8
111.08236	0.7
113.09668	0.7
114.66184	0.8
121.02962	3.6
121.10230	3.8
125.09746	3.3
127.11267	1.3
129.91135	0.7
137.09744	1.3
139.11330	1.0
163.46849	0.7
165.12834	1.5
171.10278	19.0
175.11235	0.7
180.85359	0.7
193.12370	19.3
201.02628	1.0
203.01436	0.7
211.13461	4.2
225.14986	26.1
243.16019	7.3
293.21271	3.0
305.33951	0.7
316.78296	0.7
343.24963	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	343.2131
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
54.82661	0.4
57.03451	5.4
58.91477	0.4
59.01376	0.6
69.03458	0.6
69.51999	0.4
72.65329	0.5
73.45513	0.4
76.66920	0.4
91.31985	0.4
92.10761	1.1
95.05032	0.7
97.06583	18.3
123.08167	9.1
125.09724	100.0
127.11272	2.5
139.11308	1.8
143.10806	0.9
149.05139	0.5
155.10754	2.0
169.08719	1.1
173.11833	41.2
187.09767	17.6
204.55702	0.5
281.21286	5.5
325.20270	7.8
343.21313	82.2
345.48508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86999	21.1
59.01400	100.0
61.52819	16.1
71.29108	16.0
121.03008	86.8
135.04527	20.8
145.22743	17.9
172.70100	18.1
185.11899	32.0
271.59351	19.6
292.79599	20.4
351.56906	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47997	0.4
57.03435	1.0
59.01387	3.6
63.14766	0.4
76.57946	0.5
79.05538	0.9
92.10118	1.0
107.39638	0.6
109.06634	0.8
121.06591	3.0
123.08146	6.6
125.84609	0.5
135.70689	0.6
161.09740	0.7
187.11324	0.8
199.11089	0.5
209.97194	0.5
225.12892	2.2
226.13756	0.9
239.14423	1.7
241.16005	2.5
253.12459	1.0
257.75290	0.5
258.12427	0.7
265.15863	0.8
267.13995	2.6
281.15717	0.6
283.16995	2.1
285.03806	0.8
285.15109	3.7
286.15808	4.7
301.18179	3.5
313.03500	0.7
313.14563	3.0
325.17966	0.7
327.16159	1.0
328.16815	2.5
343.19177	100.0
344.19336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
75.13773	0.3
80.96513	0.5
85.02969	0.4
120.99660	100.0
121.02941	1.6
123.21545	0.3
128.93141	0.3
129.03815	0.3
135.04510	2.5
179.03503	1.6
307.08304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26256	3.3
57.39607	3.5
59.01397	8.1
74.99116	9.1
79.92830	4.1
96.96008	8.9
111.18562	3.5
118.98090	100.0
120.99678	6.2
135.04575	5.3
160.36926	4.0
343.11804	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	341.3064
Annotation	21-hydroxyhenicosanoic acid
Peak:m/z	Relative Intensity
58.86010	2.4
61.98854	3.1
62.72684	2.4
69.03498	2.5
69.48463	2.8
71.05031	25.0
101.85590	2.7
116.92867	22.0
131.62698	3.9
281.28552	31.6
323.29715	16.2
327.84818	3.0
341.30661	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	343.0827
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
55.48234	1.8
59.01384	17.4
72.30654	2.3
72.48848	2.0
76.29481	1.8
83.01389	100.0
86.49593	2.1
93.39346	2.1
95.90029	2.0
104.41788	2.5
121.02970	2.5
135.04510	2.3
174.55136	2.3
189.05658	11.0
215.03481	10.3
229.05080	9.9
231.06645	58.1
255.06538	3.0
257.04611	5.1
259.06140	45.3
264.10529	2.3
269.04495	4.6
283.26471	4.2
285.04056	3.8
294.79773	2.2
299.09354	4.1
301.07126	2.9
313.03610	44.4
328.01968	3.3
328.05923	93.3
343.08267	80.6
344.08307	2.7
358.02798	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	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.2
59.01385	54.2
61.98841	1.1
69.14443	0.9
71.01384	20.7
72.99313	2.4
73.24113	1.0
79.05998	0.9
85.02972	4.2
89.02445	17.0
93.03442	9.6
95.01403	2.3
96.95986	4.2
101.02425	7.0
110.70168	1.1
112.56383	1.0
113.02444	6.3
119.03533	5.9
119.05023	100.0
121.02953	4.6
123.04502	1.0
135.04530	5.4
137.02437	11.4
151.04030	10.1
152.70695	1.0
156.45827	1.2
163.04025	77.0
179.03510	8.0
181.01447	4.7
223.02501	3.9
227.10249	1.1
272.52747	1.0
280.46295	1.1
283.04572	15.2
307.08289	1.1
343.10406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09927	0.5
52.46395	0.5
57.32510	0.5
59.01400	0.8
63.10052	0.5
69.03461	2.7
83.05043	1.0
84.02171	10.4
97.02929	4.7
97.06602	8.6
99.04498	1.3
114.39384	0.7
119.08656	2.5
124.68125	0.6
125.09718	1.3
127.11293	1.2
137.09717	1.4
149.13376	1.1
165.12849	0.8
171.08807	1.0
171.10283	27.7
175.11281	1.1
193.12337	18.5
194.12550	0.6
211.13452	3.4
221.12068	0.9
225.12990	1.1
225.15007	19.5
243.16129	6.5
287.97879	0.7
291.19772	1.3
323.54504	0.7
341.23383	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	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79990	0.8
56.15448	0.8
59.01382	1.3
69.03473	1.5
84.02173	31.8
84.93367	0.8
92.10125	2.1
93.20669	0.8
93.82150	0.8
97.02934	10.6
99.04512	6.9
103.59587	0.9
119.08688	4.1
119.21950	0.9
125.09710	1.2
127.11262	3.3
137.09749	5.1
162.33759	0.9
171.10284	86.2
213.05487	1.0
223.39575	1.2
341.23410	100.0
342.24002	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57264	2.9
55.01893	2.6
59.01390	20.0
69.42297	3.4
71.01421	5.4
71.05013	21.8
81.03470	59.8
81.91545	2.7
83.05044	47.6
89.02453	4.6
91.07436	3.6
93.03474	21.4
95.04999	3.0
97.02968	3.4
109.06586	3.3
111.04536	87.7
117.06320	2.9
123.04504	6.8
123.08163	4.5
125.09742	4.6
139.07611	6.6
151.07693	43.3
154.07791	3.4
169.08710	30.3
171.10289	100.0
201.11378	14.1
213.11328	6.5
238.91359	3.6
341.19690	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	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69486	1.5
57.03470	3.8
59.01406	4.0
61.89551	1.6
61.98833	1.9
71.01399	2.1
75.11967	1.6
76.56810	1.7
91.06648	1.6
95.05034	2.1
97.06602	22.9
108.09421	1.7
108.98409	1.8
123.08156	14.7
125.08804	3.7
125.09731	100.0
150.97672	1.8
159.10312	8.6
165.96327	2.1
199.13460	18.3
341.23410	43.6
341.27173	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	10.0
59.94301	1.3
70.88816	1.3
71.01404	6.8
71.05021	1.9
81.03471	1.4
83.05061	6.5
84.02168	1.5
89.02426	2.0
91.54055	1.4
95.05050	7.5
97.06596	2.0
107.05028	2.6
125.06105	3.3
125.09740	3.1
135.08171	3.1
163.11319	7.8
165.12880	2.8
181.12389	2.4
185.11902	13.0
197.11841	12.4
199.19080	1.6
209.11873	100.0
210.12238	1.5
221.11847	2.3
227.12880	10.5
251.13036	2.4
253.14595	2.4
265.14508	2.7
305.17621	5.4
323.18552	6.3
341.19711	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	26.3
71.01403	6.0
71.05031	19.1
81.03465	51.0
83.05032	50.7
83.05423	3.4
83.75049	3.1
87.07613	3.2
89.02507	5.8
90.98609	8.0
93.03461	28.4
95.05030	6.1
97.02946	5.6
101.02473	4.0
105.18609	3.3
107.05033	5.3
109.02959	5.3
109.06653	4.2
111.04532	100.0
118.05721	3.6
123.04527	18.6
125.09728	5.3
139.07631	6.2
151.07648	45.9
169.08762	32.1
171.10281	86.9
171.11679	6.0
179.00220	6.6
201.11400	13.6
213.11295	6.3
251.12927	13.1
326.07208	3.7
341.19647	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84683	2.1
57.03469	12.1
59.01401	16.9
59.65470	2.0
59.71498	2.2
63.02743	2.2
65.57616	2.1
69.03474	5.8
71.01385	4.1
71.05018	38.9
78.58382	2.4
81.03460	37.4
83.05028	31.0
89.02448	4.1
92.10838	5.8
95.01418	2.6
95.05045	15.6
97.02946	5.8
98.03722	2.5
99.04533	41.4
109.02991	3.0
109.06632	14.4
110.03722	3.0
111.04548	14.0
121.02957	3.2
123.04558	3.9
123.08216	2.7
127.11244	2.9
133.06624	3.4
150.06844	2.4
151.07678	10.6
155.10725	3.0
171.10277	50.7
189.12920	3.7
191.14497	4.6
193.12312	24.1
201.11368	2.8
207.13963	4.7
211.13397	3.7
235.13426	47.2
243.17699	3.9
253.14478	100.0
287.16519	24.9
288.09882	2.7
305.17627	16.5
323.18649	11.4
341.17242	4.8
341.19864	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	341.1762
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
53.33484	2.9
57.03464	3.5
58.50148	3.2
59.01403	18.3
63.77273	3.2
66.78820	3.1
71.01392	3.7
72.99298	3.2
78.33109	3.4
80.05011	3.7
82.52581	3.5
83.05038	3.5
87.85510	3.0
95.05015	7.0
109.06629	4.3
114.86716	4.2
123.08199	4.6
178.59631	4.1
178.89525	3.6
203.10742	5.8
264.11612	19.2
266.09549	7.1
279.36859	4.0
281.11850	3.8
283.13412	16.6
283.78909	3.3
289.12103	4.2
289.61520	3.9
299.16608	8.3
308.14227	21.9
341.17609	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99048	1.4
56.71959	1.3
57.03460	3.5
57.28312	1.3
58.45286	1.5
59.01399	7.8
61.96616	1.6
64.85909	1.5
67.01900	2.5
69.03462	6.4
71.01402	2.7
81.03461	16.4
83.05044	14.2
84.02179	27.5
85.02948	24.0
89.02412	1.8
95.05061	3.6
97.02956	17.5
99.04515	12.1
103.17760	1.5
109.06594	2.8
111.04531	1.9
119.08678	6.1
130.78717	1.9
139.94891	1.7
171.10289	77.4
183.13942	3.5
193.12338	8.2
195.13863	2.6
221.11931	17.9
235.13446	8.2
239.12958	17.2
253.14500	6.3
319.26230	1.8
341.23404	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	341.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39133	0.9
55.01899	5.4
57.03470	2.6
58.99623	1.2
59.01394	100.0
61.98846	1.1
64.35127	1.2
71.01392	61.1
71.01773	2.2
72.99323	1.2
73.02949	11.3
78.95925	2.0
83.01415	6.6
84.81775	1.2
85.02963	22.1
85.03373	1.1
87.00880	33.0
87.01362	1.5
89.00662	10.2
89.02452	32.0
90.90186	1.0
91.02238	83.7
95.01410	4.6
96.96037	2.4
96.96999	1.2
99.00900	6.2
101.02457	35.3
110.78196	1.1
113.02466	23.4
117.01955	1.8
119.03506	11.0
119.07168	2.6
136.64185	1.1
151.00854	1.0
159.02994	2.0
160.53798	1.2
161.02730	4.2
161.04568	22.5
179.03845	1.4
179.05643	5.1
200.01683	1.1
249.06183	17.8
281.12451	31.6
341.09073	43.6
341.12857	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43611	1.1
59.01402	5.6
65.43614	1.2
71.01393	2.1
71.45293	1.1
74.99100	20.0
82.92161	1.1
85.03039	1.1
96.96020	1.6
115.59668	1.4
118.98087	100.0
138.04437	1.3
154.08824	1.5
245.11786	1.5
279.10623	5.2
323.09695	1.9
330.82480	1.3
341.10843	12.3
345.03702	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.4
58.00600	1.7
59.01389	100.0
59.32372	1.1
71.01382	56.2
72.99297	1.4
73.02942	8.5
75.98551	1.2
85.02966	8.7
87.00897	1.5
89.02439	67.8
92.10758	1.3
95.01385	4.6
101.02438	25.2
113.02438	19.0
115.00350	1.1
117.01921	5.3
118.83059	1.1
119.03497	20.3
123.69294	1.1
125.24941	1.2
131.03479	4.4
133.01413	1.0
134.07385	1.1
135.02991	1.3
143.03526	2.0
149.04544	16.1
161.04553	6.5
179.05644	19.3
191.05621	5.0
341.10962	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	341.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
55.68625	0.6
57.00465	0.7
57.03463	1.4
58.00614	3.1
59.01386	100.0
62.32918	0.6
62.89957	0.6
65.03337	0.6
71.01382	53.8
72.99309	1.7
73.02979	3.4
75.44212	0.7
83.01409	0.7
83.45689	0.6
85.02962	9.1
87.00903	1.5
89.02444	65.2
95.01391	3.3
98.85611	0.7
101.02448	27.9
113.02460	20.5
119.03504	20.1
122.12469	0.6
131.03520	3.0
143.03519	2.9
149.04529	0.9
155.14079	0.7
161.04559	7.4
167.93895	0.7
179.05615	22.5
217.24490	0.8
242.35027	0.7
268.22089	0.8
341.10965	27.6
357.12134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1007
Annotation	Clauslactone E
Peak:m/z	Relative Intensity
50.24578	6.4
53.22723	6.0
59.01390	68.5
71.01389	40.9
72.99299	9.7
79.60850	7.0
85.02972	9.2
89.02464	37.2
89.76185	6.4
96.96050	7.0
101.02484	10.1
105.03474	13.9
107.05034	30.7
113.02441	10.1
119.05013	11.3
130.08717	28.6
133.02959	100.0
135.04550	28.5
141.77785	8.6
143.15518	6.5
163.03978	8.0
177.01952	43.7
179.03506	8.7
179.05611	8.6
182.10017	7.5
241.15636	8.7
305.15512	44.7
341.10178	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17896	0.4
50.94807	0.4
51.00446	0.5
55.63784	0.4
59.01398	3.4
66.30698	0.5
69.03481	0.5
71.01402	0.8
74.99100	17.2
74.99512	0.6
84.28773	0.5
89.02463	0.9
90.98633	0.8
98.99113	0.5
99.02744	13.1
106.81061	0.5
108.04568	1.0
109.24598	0.5
116.44588	0.6
118.98095	100.0
123.08160	0.7
143.01729	14.1
150.05614	1.2
151.07707	0.9
153.09283	2.3
178.05099	6.9
187.00780	0.8
191.05608	0.6
215.10809	1.2
254.99164	0.6
279.10635	7.2
302.08115	0.6
303.13531	2.4
323.09659	3.3
341.10696	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	341.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24578	6.4
53.22723	6.0
59.01390	68.5
71.01389	40.9
72.99299	9.7
79.60850	7.0
85.02972	9.2
89.02464	37.2
89.76185	6.4
96.96050	7.0
101.02484	10.1
105.03474	13.9
107.05034	30.7
113.02441	10.1
119.05013	11.3
130.08717	28.6
133.02959	100.0
135.04550	28.5
141.77785	8.6
143.15518	6.5
163.03978	8.0
177.01952	43.7
179.03506	8.7
179.05611	8.6
182.10017	7.5
241.15636	8.7
305.15512	44.7
341.10178	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	4.3
58.00623	2.6
59.01389	100.0
62.85981	1.5
71.01389	52.2
72.99335	4.0
73.02998	1.9
83.01418	2.3
85.02948	15.6
87.00872	2.4
89.02453	50.3
95.01430	2.5
95.50239	1.8
95.77593	1.9
97.61894	2.0
101.02452	26.3
101.27145	2.0
107.06152	1.8
113.02448	19.5
119.03500	19.9
123.04636	2.8
131.03616	2.0
133.02975	17.8
135.04546	4.6
139.34937	1.9
143.03572	2.5
161.02487	2.5
161.04582	2.5
167.03491	2.5
177.01964	4.8
219.13379	1.9
341.09198	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0915
Annotation	Caulersin
Peak:m/z	Relative Intensity
54.70433	0.7
59.01392	9.7
59.44137	0.5
69.11388	0.4
71.01385	4.6
72.21785	0.5
76.57548	0.6
77.33163	0.6
78.51215	0.6
79.95750	3.0
80.96527	3.0
83.01402	0.7
85.02972	2.4
86.35564	0.6
87.00867	4.1
89.02438	4.2
90.98597	22.4
95.95289	1.1
96.96013	100.0
101.02450	3.3
102.66555	0.5
113.02444	2.3
119.03499	0.6
122.97569	1.2
129.46457	0.5
134.03740	0.8
135.01251	0.9
135.04497	2.4
138.97090	2.3
145.02849	0.6
150.97061	1.1
153.46628	0.6
158.30888	0.6
166.05052	1.2
177.03993	1.2
179.00209	15.6
180.98117	0.7
182.97258	0.6
188.60817	0.6
191.05629	1.0
221.77495	0.6
225.00801	0.8
241.00229	3.4
273.47549	0.6
303.13461	4.2
341.09146	85.8
343.09006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14179	0.9
55.01892	5.3
57.03450	1.3
59.01386	90.2
60.91647	1.0
71.01389	58.1
71.13724	0.9
72.99320	2.6
73.02948	16.5
75.08335	1.0
83.01390	6.1
85.02965	25.3
87.00877	39.6
87.04477	1.3
89.00674	16.0
89.02444	26.0
91.02229	100.0
95.01392	2.2
96.96020	2.6
99.00888	4.9
101.02442	37.5
103.92003	1.5
113.02467	20.5
117.01940	9.9
119.03497	9.3
119.07113	1.5
130.92319	1.4
131.03491	1.9
133.05066	1.5
143.03516	2.4
156.22336	1.2
159.03032	2.2
161.02884	1.6
161.03099	1.9
161.04544	24.4
179.05574	5.3
195.02977	1.3
240.57178	1.2
249.06238	16.6
281.12448	41.0
340.93674	1.2
341.09048	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83096	0.3
57.45331	0.2
61.43233	0.3
62.62864	0.3
71.01394	0.3
77.84214	0.3
92.10744	0.6
93.03445	0.4
107.05057	1.3
112.59786	0.3
116.51983	0.3
126.94949	0.3
133.11354	0.3
134.03784	3.6
135.04530	100.0
149.06137	0.4
151.10934	0.3
161.02502	0.5
179.03516	57.1
186.49440	0.3
188.02800	0.3
221.04689	0.3
232.11609	0.4
236.56078	0.4
247.14157	0.3
251.05507	0.4
281.06699	0.5
341.08731	3.0
356.20554	0.4
364.47189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
71.01398	2.1
75.00878	0.5
76.19201	0.3
78.93601	0.3
85.02985	0.3
89.02460	1.3
90.22997	0.3
91.05549	0.3
92.10867	0.4
105.36388	0.4
107.05039	0.5
113.02406	0.4
117.03455	0.3
133.02959	2.5
134.03783	4.0
135.04535	100.0
136.04727	0.5
137.02521	0.4
149.06123	1.4
161.02463	5.2
177.05594	1.8
179.03520	59.3
193.05051	1.3
220.42509	0.3
221.04639	1.6
249.05751	0.3
251.05646	1.6
281.06723	3.8
341.08682	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	339.2332
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
54.82324	0.3
59.54958	0.3
92.48708	0.3
97.49824	0.3
109.85326	0.4
119.42033	0.4
135.50386	0.3
163.11302	100.0
167.15953	0.3
201.12114	0.4
250.41687	0.3
339.23349	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13377	3.2
57.99184	3.5
59.01394	100.0
64.35084	3.7
65.64365	3.8
72.37693	3.8
72.86410	3.5
78.53129	3.3
79.79366	3.4
91.12099	3.9
141.43372	4.3
159.08968	4.9
167.20380	4.4
279.23459	5.6
297.24408	44.8
329.92587	4.4
339.20026	5.4
339.25540	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	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	7.6
59.01383	12.1
69.03448	20.9
69.34550	5.0
71.05030	10.4
73.18196	4.2
75.52448	4.8
78.53256	4.1
80.02686	5.2
81.03452	65.3
83.05034	40.8
85.02946	10.9
92.10820	10.7
92.66080	4.9
93.82075	5.0
95.01393	8.4
95.05038	25.2
97.02943	23.5
97.06608	7.3
99.04514	91.8
107.04990	5.1
108.02192	22.5
109.02967	19.1
109.06648	6.8
111.04497	10.1
121.02958	39.4
122.03781	36.7
123.04507	5.4
124.97873	5.3
134.48129	5.8
135.04535	6.6
137.06012	12.1
149.06059	30.8
160.05254	6.6
171.10271	100.0
178.06343	29.7
193.12401	18.1
199.13466	8.3
207.14063	7.1
220.82947	5.7
221.11884	7.1
235.13435	66.8
247.13298	6.2
249.11287	10.5
250.12038	22.0
253.14473	93.6
265.14395	7.4
285.15094	8.9
303.15979	34.9
321.17093	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57999	0.5
59.01389	0.7
63.58831	0.4
78.06136	0.5
79.95733	0.6
82.34818	0.4
95.77687	0.5
103.16252	0.5
119.05051	2.2
170.00423	2.7
183.01228	70.2
184.02019	1.0
197.02798	2.0
211.60986	0.6
225.05980	0.8
239.07613	0.9
247.52534	0.5
323.68317	0.6
339.20053	100.0
340.20294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04173	3.4
53.63499	3.7
57.03452	10.2
59.01382	19.2
67.65118	3.6
69.03464	20.5
69.52894	4.1
71.05029	20.1
73.14858	3.9
81.03453	82.6
81.18416	5.3
83.05019	46.2
85.02937	10.3
92.10778	19.7
95.01345	5.8
95.05032	23.7
97.02933	22.4
97.06564	6.8
99.04507	88.4
105.07082	4.3
107.05026	6.1
108.02190	10.0
109.02953	15.7
109.06585	7.6
111.04513	22.5
114.81191	3.8
121.02947	35.1
121.06602	7.2
122.03737	25.3
123.04570	8.3
123.08137	4.5
131.05006	5.2
131.56516	4.4
137.06079	26.7
139.11282	5.5
149.06029	29.5
155.10741	5.7
157.97946	4.8
167.07153	9.1
171.10292	100.0
177.12723	4.7
178.06367	25.0
180.97820	4.2
191.14417	5.8
193.12315	26.9
199.13376	6.5
199.46219	4.4
205.12375	7.3
221.11716	5.7
235.13400	63.1
249.11287	5.6
250.12044	9.1
253.14520	97.4
265.14429	5.2
279.16269	5.5
285.14926	19.1
303.15955	39.2
321.17151	69.9
339.18207	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	339.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40220	1.7
55.01888	9.1
55.59655	1.6
59.01389	86.2
64.33724	1.9
69.03461	3.4
71.01388	51.8
72.99330	2.4
73.02946	48.8
75.00885	1.6
83.01392	23.3
85.02964	35.8
86.77991	2.0
87.00873	2.0
89.02465	15.6
93.03457	3.2
95.01360	2.7
96.96003	4.4
99.00885	9.5
101.02449	82.2
101.03099	3.6
104.03650	1.8
113.02465	34.4
117.05589	33.1
129.01968	2.5
131.03458	3.4
134.39552	2.2
139.04053	4.1
159.03021	4.6
159.06645	4.6
161.04573	19.0
165.01955	3.4
166.29874	1.9
173.04562	2.4
189.07773	2.8
191.05568	8.4
207.06880	3.3
207.08780	100.0
207.10721	3.6
215.87285	1.7
253.43954	1.9
313.11343	2.2
331.24808	2.2
339.12985	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0727
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.92796	0.3
60.93542	0.2
70.66711	0.3
80.04485	0.2
81.03493	0.4
81.86411	0.2
89.03973	2.7
89.43328	0.2
93.03409	0.3
93.54974	0.3
104.02657	0.9
105.03481	4.2
107.01442	0.2
119.05067	0.4
131.03511	0.4
133.02977	11.8
148.01665	1.1
149.02444	1.2
160.50398	0.2
161.44527	0.2
163.04007	0.3
176.01181	2.0
177.01955	100.0
178.02319	0.4
218.23759	0.3
261.13193	0.3
339.07248	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	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88149	0.9
55.01892	2.8
57.03465	5.1
59.01387	100.0
71.01384	61.3
72.99324	6.2
73.02948	8.0
75.00889	5.1
80.64173	1.0
83.01390	2.4
85.02953	13.7
87.00887	9.4
89.02447	24.3
95.01389	1.2
99.00909	2.1
101.02429	23.0
112.98734	1.4
113.02457	14.6
115.00386	49.1
115.38107	1.3
117.05570	1.6
119.03503	7.7
129.01964	1.4
130.08748	25.0
131.09084	12.5
133.01439	72.9
133.05077	30.9
143.03596	1.8
147.02992	7.1
161.04593	15.8
179.05661	8.8
235.08311	17.6
252.78271	1.1
279.10944	1.4
316.14273	1.2
339.13022	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	337.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	32.7
81.73210	15.8
86.89548	15.9
92.10745	19.8
93.03470	19.3
95.89485	14.9
111.00916	100.0
119.05033	19.1
120.22498	17.0
120.27096	15.0
170.81348	15.9
173.04613	33.3
191.05605	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92407	0.7
57.03455	1.1
58.00623	0.9
59.01386	63.0
67.01904	4.7
71.01387	26.8
72.99294	7.5
73.02964	1.1
83.01394	5.6
85.02961	26.1
89.02442	27.3
93.03484	1.0
95.01392	0.9
101.02449	18.4
111.00890	100.0
112.01165	1.2
113.02434	8.1
117.01945	1.3
119.03521	12.0
119.05009	4.0
129.01947	3.5
133.02975	1.3
143.03535	0.9
145.03033	1.0
154.99863	12.1
160.53447	0.7
163.04089	1.6
173.00940	22.3
191.02034	7.5
191.05695	1.5
200.77533	0.9
201.41451	0.8
337.15131	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11247	0.4
54.82568	0.5
57.03463	1.9
59.01384	2.7
60.99321	0.8
62.94556	0.4
65.09932	0.4
66.57912	0.4
67.01894	6.9
69.03461	1.2
71.01035	0.4
71.01393	2.9
79.88759	0.5
81.03473	1.2
83.05033	1.2
85.02953	9.8
87.00872	7.7
87.01310	0.5
92.10104	1.0
93.03458	38.4
96.46835	0.5
99.04506	0.9
108.91100	0.4
109.02961	0.6
109.17883	0.4
111.04528	6.7
119.05032	20.1
127.04031	1.9
129.01929	1.0
134.53134	0.4
137.02458	0.7
145.02960	1.0
155.03535	0.9
163.04027	13.1
171.03026	0.6
173.04572	22.8
191.05646	100.0
231.82260	0.5
305.14749	0.5
337.09473	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	337.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06690	0.7
51.26442	0.5
52.45613	0.6
55.01899	0.7
57.03463	4.0
57.55513	0.6
59.01386	18.4
66.19244	0.6
68.99838	0.9
71.01378	12.7
72.99319	4.1
73.02955	1.2
75.00873	13.3
78.05263	0.6
85.02944	15.1
87.00867	5.3
87.04505	100.0
89.02471	2.9
93.03463	3.9
95.01392	3.3
99.00868	8.1
113.02444	15.3
117.01952	1.4
131.54315	0.9
136.46027	0.7
137.02444	6.3
175.02574	1.0
175.92227	0.7
249.06204	9.1
256.12823	0.7
294.81418	0.8
319.10367	1.0
337.11462	51.7
337.14963	1.9
343.29224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.14250	0.5
57.03462	0.6
59.01394	9.6
71.01401	3.2
81.60781	0.6
83.05016	1.2
85.02955	9.2
87.00898	0.7
89.02466	0.9
93.03458	6.0
101.02444	1.1
111.04535	5.0
111.05204	0.6
113.02435	0.8
119.05030	88.2
125.39579	0.5
127.04012	1.4
145.02985	1.1
147.21585	0.7
155.03519	3.1
163.04025	100.0
164.04451	0.8
173.04553	4.7
191.02028	0.8
191.05638	36.1
196.14960	0.6
337.09268	6.5
337.15140	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	337.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95896	2.0
59.01392	9.2
64.81642	2.1
71.05037	10.7
74.06957	2.3
74.19553	2.0
85.02958	2.8
85.32335	2.3
91.79339	2.3
99.04543	14.7
102.24781	2.2
111.00901	9.7
115.04042	4.9
115.86546	2.1
116.52323	2.4
117.05560	3.2
119.05056	2.6
121.44855	2.6
127.24726	2.2
134.03748	53.5
143.03513	63.8
146.44293	2.2
160.01669	3.1
161.04572	100.0
173.00926	3.2
178.02733	5.6
181.67627	2.6
193.05063	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0781
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03450	11.7
59.01377	5.5
68.99562	49.9
71.01385	2.8
73.02955	2.6
83.01366	1.5
85.02961	9.2
87.00880	2.7
93.03408	1.4
96.96020	13.8
99.00874	8.9
101.02439	44.6
105.57492	1.1
111.00895	2.5
112.98567	44.5
113.02463	5.1
113.99581	32.5
115.00368	8.0
127.00363	2.5
128.33458	1.4
129.01918	1.8
145.01433	53.7
157.01437	6.9
162.89320	14.0
174.01694	21.3
201.23834	1.2
215.14708	1.3
247.33995	1.4
252.58379	1.3
264.41974	1.2
277.05679	24.2
337.07828	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	337.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	13.1
63.45403	2.1
71.05038	4.9
75.58175	2.1
85.92979	2.1
92.10786	4.8
93.03471	3.2
99.04551	13.6
111.00896	8.9
115.04057	5.2
117.03513	3.8
117.05582	8.8
121.19907	2.1
134.03749	51.8
137.02483	2.7
143.03516	64.3
160.01672	5.6
161.04582	100.0
175.04028	4.7
178.02689	9.1
193.05098	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83751	1.3
55.01891	2.4
57.03466	2.3
58.00596	2.1
59.01383	100.0
70.41288	1.4
71.01381	47.8
72.99318	2.7
73.02982	2.1
83.01393	2.9
85.02940	15.7
89.02442	41.7
94.13332	1.5
95.01382	3.7
96.96013	3.5
101.02438	31.0
107.97063	1.6
111.08132	2.2
113.02438	14.5
119.03516	19.1
122.10130	1.8
155.07162	2.5
161.04575	2.1
173.08197	8.8
205.90662	1.6
300.31299	1.8
335.13528	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26616	0.5
59.01393	1.1
63.85972	0.5
72.89999	0.5
134.96077	12.0
136.94005	100.0
137.94147	0.7
151.92723	6.8
152.91772	32.3
154.18271	0.5
167.90472	6.2
178.95067	83.3
179.95084	1.8
194.92816	37.4
196.96124	1.3
202.87743	0.5
203.48479	0.6
210.90828	1.3
211.10712	0.6
212.93855	5.3
247.87138	5.0
248.37065	4.3
250.94029	0.7
252.91856	3.2
274.88788	3.4
287.84985	8.3
288.34964	3.8
288.84921	1.0
292.95013	3.0
294.92902	13.9
294.95966	0.8
336.94025	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1195
Annotation	CHEBI:19923
Peak:m/z	Relative Intensity
52.69155	1.0
55.01889	1.4
57.03444	2.0
58.00608	1.7
59.01386	100.0
59.56655	1.2
63.86088	1.0
71.01385	41.9
72.99317	5.0
73.02966	1.5
74.99107	2.1
78.95895	2.5
81.03461	1.5
83.01390	2.1
83.05074	1.9
85.02963	8.8
87.00900	2.7
89.02442	40.2
93.03465	1.9
95.01415	2.3
96.96011	35.4
96.96941	1.5
97.02959	1.3
101.02432	28.1
109.06589	12.9
113.02450	15.4
119.03488	16.2
127.07600	1.5
134.26146	1.2
153.05611	4.6
179.05650	1.5
191.05664	4.6
221.66914	1.3
333.11984	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21025	4.0
59.01388	39.2
60.69206	3.5
68.61752	3.5
71.01406	22.0
85.02988	8.1
87.08327	3.7
89.02460	9.7
93.03458	62.1
96.96062	14.9
101.02450	7.1
113.02467	6.2
130.44214	4.0
137.02455	100.0
155.07196	5.6
184.37099	4.8
222.46574	4.0
260.90445	4.6
299.07715	6.8
335.13632	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	8.2
57.03458	33.5
59.01387	3.0
67.01902	2.0
71.01389	7.7
72.99321	3.2
73.02970	5.6
83.01394	14.8
84.02164	1.4
85.02953	100.0
92.10129	2.8
93.03414	1.6
98.83540	1.2
101.02462	6.9
109.59500	1.4
111.00887	42.8
123.08174	1.8
129.01939	47.4
129.09230	25.7
129.16440	1.4
133.02940	2.9
135.04515	2.6
137.02386	1.6
161.02444	9.4
161.04590	2.5
179.03377	1.8
187.02441	1.5
188.06255	1.5
205.03534	27.5
223.04648	6.3
335.07849	3.3
335.13272	6.6
335.18506	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	333.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18340	4.2
52.75273	4.2
58.24518	5.2
59.01391	13.3
62.47974	4.6
71.01382	5.4
73.84362	4.6
87.00952	6.6
91.43019	5.5
92.05061	9.8
99.42323	5.3
101.02465	6.3
111.98483	5.0
116.14761	5.6
122.06116	26.3
123.00718	5.4
134.06143	7.6
138.05611	10.9
140.07224	7.1
151.30423	5.5
160.84346	6.2
162.04431	5.8
171.10304	8.3
172.11238	6.0
174.05626	9.4
184.11330	26.2
187.09924	5.3
202.12418	20.8
216.10289	7.1
217.07437	35.4
231.09015	24.6
241.09888	40.2
242.07008	6.3
243.11649	16.0
246.11406	64.9
253.09897	7.1
254.93098	5.8
259.10904	8.8
271.10922	100.0
289.11987	92.8
315.10043	6.0
319.70721	6.5
333.10919	63.9
333.15024	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	331.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82911	1.2
68.99828	1.6
82.40825	1.1
84.04565	8.5
86.02512	1.6
93.03484	1.5
94.03018	3.7
94.06637	2.3
95.03759	20.2
96.04543	1.5
96.08203	9.9
97.01711	4.4
107.13431	1.0
110.06133	1.2
110.37183	0.9
112.04076	7.1
116.05072	45.5
118.06633	13.3
120.04630	1.3
123.03264	6.3
124.07680	74.4
134.06136	1.3
135.04518	2.3
137.04805	2.1
138.02962	1.1
138.05615	6.8
144.04564	100.0
146.06093	2.3
147.03278	2.3
158.11150	1.1
162.05623	87.8
163.06406	5.0
173.34348	1.1
188.03529	12.0
195.05424	1.8
199.04077	1.1
241.13503	14.6
259.14578	2.1
269.12958	14.0
287.14035	79.2
331.12985	4.4
348.33710	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	331.2492
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
53.84264	0.2
53.87912	0.2
54.82739	0.2
57.03448	0.2
58.00610	1.3
58.99290	0.2
60.09026	0.2
89.32584	0.2
110.88192	0.3
119.23866	0.3
124.10501	0.2
125.09723	1.9
127.11290	9.4
137.09779	0.3
139.11340	0.3
143.10817	1.5
155.10817	2.4
157.12347	5.1
163.17357	0.2
169.12395	0.3
171.10315	3.3
183.54626	0.3
187.13411	0.9
201.11322	1.7
255.23393	0.3
257.68954	0.3
267.23251	0.3
295.22800	1.9
306.78174	0.2
311.22440	0.9
313.23944	9.9
329.23334	5.6
331.24963	100.0
332.25418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44391	0.9
54.90297	0.7
59.48988	0.8
61.33012	0.7
62.61466	0.8
64.01942	1.1
64.08588	0.7
64.31552	0.9
78.03493	1.4
80.05051	1.2
80.78777	0.8
81.01877	0.8
92.05086	4.4
94.06638	6.8
104.05030	6.6
105.03459	4.2
106.06633	19.9
107.03821	1.4
108.04572	3.9
114.38522	0.9
120.04526	8.4
121.05339	1.9
122.06115	25.9
123.03281	4.8
124.36677	0.9
124.42887	1.0
132.04559	11.2
138.04550	1.4
138.05614	35.9
145.65257	0.9
150.05614	2.0
161.00311	0.8
174.12889	1.9
184.11148	1.0
189.07918	1.4
213.06696	1.4
215.11914	1.6
217.07262	2.8
225.52095	0.9
241.09673	2.7
243.11316	1.3
271.10938	1.4
289.11987	100.0
333.11002	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	329.2336
Annotation	9,10-Dihydroxy-12,13-epoxyoctadecanoate
Peak:m/z	Relative Intensity
57.03463	4.6
59.01397	15.9
70.60318	2.1
70.99792	2.4
86.47314	2.8
91.52482	3.0
92.10859	8.0
97.06590	19.1
123.08186	15.9
125.09724	100.0
127.11268	6.4
130.74557	3.0
173.11842	65.6
193.05562	2.5
196.30022	2.5
196.75040	2.6
221.15518	5.1
236.10402	4.3
274.16125	2.9
278.41672	3.1
320.28473	3.0
329.23413	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0824
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
50.73800	1.8
56.20984	1.9
72.99306	31.1
77.49426	1.9
93.03452	10.1
107.05045	9.0
135.04514	5.1
145.02977	2.2
168.59795	2.4
179.03362	3.2
181.06569	11.3
197.06148	2.8
199.07686	11.6
207.08177	62.3
212.08397	5.5
213.09270	5.1
223.07722	17.7
225.09242	100.0
241.08690	40.4
244.07390	5.0
251.07146	8.9
269.08261	43.6
287.09305	88.3
331.08292	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31245	0.5
59.01384	5.3
63.11729	0.6
68.66968	0.7
86.80815	0.7
125.09763	4.0
127.11311	6.6
143.10768	1.1
155.10829	1.6
157.12320	1.7
171.10303	17.6
185.11708	0.9
215.13008	1.0
283.22922	0.9
311.22351	4.3
327.21811	3.3
329.23404	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	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.84924	0.5
55.01884	0.5
57.03449	1.2
58.00610	2.6
59.01384	5.5
71.54968	0.5
83.86027	0.5
92.10047	0.9
93.03471	0.7
95.05054	2.1
97.06570	0.6
99.08189	0.5
113.06097	2.3
121.10243	0.9
123.07326	1.0
123.08153	12.1
125.06111	0.5
125.09724	6.5
127.11290	14.0
128.11639	0.6
129.91138	0.5
133.51649	0.5
137.09732	2.2
139.07666	2.3
139.11288	11.4
153.09274	0.8
155.10762	6.2
165.09201	3.3
171.10280	64.4
180.70047	0.7
183.10237	1.3
185.11838	2.8
199.09819	1.0
201.11363	35.9
213.11401	0.7
275.20270	2.9
293.21295	3.5
311.22449	3.4
329.23795	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	329.1974
Annotation	oscr#17
Peak:m/z	Relative Intensity
57.03457	5.1
59.01397	3.0
83.05065	0.9
97.06599	14.0
104.49977	0.7
111.08157	0.7
113.09774	2.1
123.08164	9.6
125.09730	100.0
139.11246	1.0
141.09256	2.7
143.10820	2.2
159.10280	33.1
169.08745	1.2
173.11823	0.9
187.09790	22.2
253.04211	0.6
267.19614	4.5
311.18704	7.1
315.81635	0.6
329.19769	60.9
329.23160	2.7
330.20087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27416	1.0
75.50176	1.1
89.55827	1.1
99.08157	7.6
110.90596	1.0
127.11277	2.8
139.11316	2.4
167.00226	1.3
171.10266	9.6
183.13908	6.4
193.12354	2.0
209.11897	1.5
211.13435	33.9
229.14478	19.6
329.23404	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	329.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
58.51043	0.3
59.01389	2.1
61.87623	0.2
61.98839	100.0
71.01384	0.4
73.02953	0.3
74.48090	0.3
79.95737	0.5
84.18147	0.3
93.03470	0.3
96.96017	0.6
101.02453	0.3
101.48498	0.3
103.21055	0.3
108.02170	0.4
111.25301	0.3
113.02467	0.3
121.02968	1.3
123.00896	0.5
134.04756	4.2
135.05061	2.2
222.01970	0.3
256.76947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37688	0.3
55.01891	0.3
59.01392	2.2
71.01385	4.0
73.02962	0.8
85.02968	1.8
87.00867	0.5
92.10158	0.8
93.03456	0.5
96.96011	0.5
99.00890	0.5
101.02423	3.6
101.60425	0.4
108.02184	3.1
109.02957	1.3
113.02434	2.5
121.02968	2.0
122.03737	100.0
123.04530	10.3
135.04501	0.5
137.02551	0.5
137.03601	1.3
137.06097	1.3
143.03554	0.3
147.04524	0.7
148.05330	0.5
152.01155	1.5
159.02971	0.3
161.04587	4.3
165.05579	3.4
167.03490	2.2
177.05550	1.6
197.96214	0.3
285.09915	0.7
329.08774	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	329.0887
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.03582	0.5
59.01390	6.4
64.34214	0.6
71.01407	1.4
72.24468	0.6
73.69598	0.7
85.02967	0.8
91.99765	0.8
92.10799	1.1
96.96014	1.5
108.02187	100.0
110.98885	0.7
123.03635	1.2
123.04527	34.8
124.01727	0.6
131.46402	0.6
137.02443	0.8
138.03290	0.7
144.85403	0.7
152.01169	64.2
153.01503	0.7
167.03513	87.2
217.08719	0.8
291.10941	0.8
329.07108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.69531	3.2
53.14263	2.9
57.03463	5.8
59.01392	4.8
71.08157	3.1
73.12264	3.3
94.46413	5.1
97.06612	22.4
123.08153	17.0
125.09712	100.0
159.10318	6.5
162.99590	4.2
163.17860	4.0
171.10313	7.8
173.11772	6.0
185.11876	21.4
217.20219	4.1
268.79214	4.6
327.21848	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01388	100.0
86.05138	1.4
96.17152	1.4
116.92899	1.9
141.67732	1.5
160.87427	1.9
327.29135	75.1
327.32971	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	329.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56361	0.6
51.73711	0.7
54.03052	0.6
58.29066	0.6
59.01385	68.3
59.26942	0.6
64.31183	0.6
67.12867	0.6
70.02940	0.6
75.79807	0.7
80.17905	0.8
101.75227	0.7
103.41367	0.7
104.16629	0.7
104.32996	0.6
104.74754	0.7
115.02525	3.3
117.00451	10.0
126.02247	0.7
130.62746	0.7
134.99867	0.8
143.01967	1.0
159.01501	100.0
168.99944	0.8
170.97849	4.6
186.88498	1.1
187.00995	89.9
201.02559	14.9
274.99426	1.7
329.02167	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	327.218
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.68708	0.4
57.03449	3.4
59.01384	2.0
61.64240	0.4
64.39729	0.5
69.03454	0.5
71.05023	0.5
73.55527	0.5
83.05047	0.8
85.02959	1.9
97.06586	1.1
106.22478	0.5
125.09705	2.2
125.86227	0.5
137.09741	1.2
139.11313	2.1
143.36137	0.5
153.12834	0.5
155.10759	2.2
171.10281	7.2
177.16438	0.8
211.13498	0.8
247.20709	19.0
263.20374	0.7
265.21750	14.3
267.68900	0.6
273.18646	2.4
283.22900	0.8
291.19687	8.7
309.20767	21.4
321.68869	0.6
327.21832	100.0
328.21997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01390	1.9
59.83187	0.8
69.03448	1.3
76.57669	0.9
95.05043	1.2
97.06587	11.1
123.07391	1.1
123.08154	7.2
125.08794	1.6
125.09726	48.6
127.11305	7.6
135.71414	1.0
137.09711	8.7
139.11238	1.1
148.72905	1.1
152.26286	1.0
155.10802	4.5
171.10283	100.0
173.11835	53.2
187.09750	1.2
291.19720	4.3
327.18033	2.1
327.21832	47.9
329.45914	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	327.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82868	1.1
57.03447	2.0
59.01383	1.7
59.43539	1.0
66.45056	1.1
69.03480	1.3
85.02946	1.7
92.10081	2.7
97.06552	8.0
109.06560	2.0
113.23463	1.2
121.06554	2.8
123.08112	2.8
127.07569	1.9
129.09164	2.3
135.74939	1.4
136.55750	1.4
145.84474	1.3
158.23502	1.4
171.08063	1.7
171.10173	7.4
173.09592	1.4
185.11769	2.2
187.11122	4.9
197.11670	2.2
225.12717	2.2
229.14542	1.5
241.15945	2.3
253.12209	2.2
267.13721	1.7
268.14569	1.3
269.15463	1.5
272.17572	1.2
283.16852	3.0
285.18600	23.3
297.14828	6.2
309.20645	1.4
311.16403	1.3
327.19406	100.0
332.97461	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	327.218
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.11080	0.5
58.00596	0.5
59.01399	1.4
63.49800	0.6
65.20269	0.6
69.03471	6.6
87.92558	0.7
92.09991	1.0
108.05798	2.3
116.58185	0.5
119.08665	8.2
125.09719	3.9
127.11308	3.5
127.68718	0.7
129.17038	0.6
135.08150	2.6
137.09720	28.1
165.09200	0.7
171.10281	100.0
185.11906	0.8
187.49358	0.7
201.11349	14.8
213.11284	3.2
273.18567	1.5
291.19720	2.9
298.68661	0.7
309.20718	6.5
327.21805	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03463	1.4
71.01393	1.0
71.87967	0.9
72.21812	1.0
85.02945	5.4
95.04999	1.2
97.06577	8.0
101.24242	0.9
103.99834	0.9
127.11285	1.9
148.04373	1.0
163.11140	1.0
165.12868	2.2
167.14458	1.3
171.10268	12.5
183.13933	7.4
185.11888	1.5
193.12418	1.7
209.11760	2.4
211.13417	32.4
211.92418	1.0
221.11790	4.6
228.32092	1.1
229.14430	18.0
239.13075	1.3
291.19623	2.3
308.33530	1.2
327.21805	100.0
336.08499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01877	0.8
57.03460	0.8
58.00601	0.8
59.01381	54.5
71.01379	21.1
72.99318	4.2
85.02972	5.7
89.02436	15.7
92.83655	0.8
95.01382	1.5
101.02421	11.0
101.19991	0.9
113.02427	7.8
119.03490	6.8
119.05038	4.7
147.04532	100.0
152.32056	0.9
165.05569	12.5
238.96303	1.0
327.10910	50.9
340.59833	0.9
342.77945	0.9
343.28876	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	327.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	1.5
55.59002	0.9
57.03466	2.5
58.00628	1.6
59.01395	100.0
71.01391	46.3
72.99323	5.6
73.02930	1.6
83.01402	1.9
85.02961	21.6
87.00893	2.3
89.02453	45.7
95.01406	6.2
95.20668	1.2
96.96004	1.6
99.38847	1.1
101.02448	17.4
105.43949	1.2
113.02459	15.5
119.03512	17.6
121.03007	2.0
129.01967	1.5
129.80693	1.3
131.03532	1.5
134.65341	1.3
143.03543	1.7
147.04544	61.9
179.05603	2.2
193.04968	1.1
194.05391	1.2
205.03654	1.5
327.13742	2.5
342.26526	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	327.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27183	0.3
59.01374	0.4
61.22023	0.3
61.98840	0.4
66.51414	0.4
86.65025	0.4
95.93603	0.4
101.94624	0.4
120.99661	100.0
141.89354	0.4
205.17966	0.4
268.13321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.0
59.01373	1.8
66.44649	1.0
79.56557	0.9
82.80008	0.9
85.02907	1.3
86.58578	0.9
104.30900	1.0
113.09680	1.0
120.82349	0.9
121.06575	2.2
123.08170	21.2
125.09676	1.8
127.17862	1.1
135.08109	1.8
139.11258	1.7
141.09203	2.0
171.10291	9.0
191.10619	1.2
209.11766	4.9
247.20570	2.2
293.15378	6.0
309.20596	4.9
327.19513	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	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.64090	0.6
58.00018	0.7
58.29086	0.8
59.01381	1.0
62.03165	0.7
77.25634	0.7
77.77905	0.7
92.65855	0.8
114.39366	1.0
116.43305	0.8
126.04729	0.8
128.92397	1.0
149.09734	98.3
163.11295	100.0
179.30830	0.8
183.01248	6.6
325.18399	11.2
325.21771	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87613	0.6
54.82788	0.6
55.01896	1.0
57.03455	0.8
58.00603	0.9
59.01388	59.4
71.01385	26.0
72.99321	4.0
73.02950	1.1
78.95905	5.9
83.01397	0.9
85.02959	7.3
87.00903	1.0
89.02449	18.6
95.01400	1.2
96.96979	6.8
101.02453	12.6
113.02461	8.7
119.03496	8.9
119.05018	5.5
121.02831	0.9
143.45798	0.8
145.02969	0.8
146.77470	0.7
147.04538	100.0
160.32323	0.8
165.05583	19.8
327.10916	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
57.93752	0.3
59.01384	22.2
62.33422	0.3
63.19333	0.3
63.68681	0.3
71.01376	2.2
72.99339	0.4
79.64773	0.3
81.03445	0.4
85.02959	0.6
88.19289	0.3
93.03453	7.4
99.00925	0.3
113.02494	0.5
119.05015	0.4
121.06588	9.1
125.02452	0.7
126.88550	0.3
147.04509	2.0
153.06752	0.3
153.66399	0.3
165.05579	100.0
166.05891	0.6
196.58319	0.3
205.03418	0.5
310.35474	0.3
327.10800	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29703	1.6
50.36784	1.4
50.63206	1.8
50.68091	1.7
57.03468	1.9
58.00605	3.9
59.01380	15.7
66.78772	1.7
69.03463	2.9
71.01394	11.8
79.52952	2.1
84.02171	8.9
84.66740	2.3
87.17676	2.1
95.05025	2.0
109.06558	2.9
111.08158	35.6
121.06614	2.2
123.08178	12.2
123.99273	1.8
125.09748	18.7
127.11265	8.4
129.18195	2.3
134.03758	3.0
135.08183	4.4
137.08418	1.7
137.09642	2.0
141.12790	2.2
153.09198	20.2
155.10785	9.0
167.10750	9.3
169.12332	4.7
171.10277	100.0
173.08188	2.1
177.91269	2.4
179.10898	2.1
183.10257	8.0
185.11853	31.7
195.10312	2.2
197.11852	21.6
199.13336	2.3
201.11360	45.3
213.11388	12.9
245.19193	4.0
289.18103	4.5
291.01883	2.0
293.83603	2.1
307.19208	3.3
325.20294	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91557	8.8
59.01391	60.9
61.98844	18.3
65.00365	11.7
66.14956	9.6
70.74551	9.8
80.02697	13.3
83.05042	11.4
85.02967	13.4
97.02944	9.5
99.22436	9.4
106.04218	18.7
115.17225	12.0
123.25572	10.1
130.78780	9.2
135.08176	89.7
140.98413	10.6
152.50720	10.3
171.10243	100.0
185.11935	16.0
215.34709	9.6
267.67490	10.3
289.18216	16.3
318.30005	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	325.2026
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.15213	1.8
57.03447	10.6
58.53845	2.0
58.78162	2.2
59.01395	10.5
69.03448	2.4
71.05032	11.5
73.00245	2.0
81.93668	2.0
83.05021	13.6
84.02185	2.7
85.06606	4.1
95.05022	9.7
97.02982	2.6
97.06599	3.9
109.06583	4.2
111.04566	10.1
123.08209	2.6
124.05344	3.8
125.09734	3.3
135.08179	10.1
139.81541	2.2
153.09174	4.5
171.10280	54.1
185.11885	4.3
206.29572	2.4
209.11842	10.8
211.13402	3.1
221.11935	3.1
235.13368	2.8
237.14731	2.6
245.19046	4.9
249.14961	4.6
287.22400	21.3
289.18069	16.2
307.19052	4.2
325.20306	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	325.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26434	3.1
51.68714	2.6
55.45558	2.9
57.03421	3.3
58.00598	3.5
59.01391	24.4
71.01385	5.8
72.00073	2.9
85.02968	3.4
111.08154	25.0
125.09735	4.8
137.09734	6.7
149.98283	3.5
155.10802	8.1
171.10269	39.0
185.11810	17.4
197.11981	4.7
201.11383	21.3
213.11362	5.6
273.97754	3.9
279.19626	6.5
307.19141	4.6
325.20325	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46539	0.8
57.03453	0.8
59.01408	3.9
69.03453	1.1
70.77502	0.8
72.99323	1.0
73.02959	0.9
78.51534	0.7
80.08712	0.8
83.05045	2.0
87.16266	1.0
92.10148	1.2
93.07142	1.0
93.47246	0.8
97.06580	1.1
99.04545	0.9
107.08670	1.3
111.08205	1.8
113.09738	1.5
119.08674	7.5
121.06561	2.1
121.10293	1.6
123.08168	6.9
125.09728	4.5
127.11240	1.1
134.03784	1.5
135.08224	0.9
137.09738	12.5
141.09238	12.9
151.11311	1.0
155.10783	4.7
167.10800	1.0
171.10300	1.1
176.22379	1.0
187.09789	24.2
199.09644	1.2
201.11394	1.6
229.10825	1.4
242.36790	0.9
248.61971	0.9
251.38588	1.0
307.19263	6.7
325.20297	100.0
347.19681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.8
59.01393	2.3
61.49302	1.0
66.11140	1.0
69.03470	2.7
71.01373	1.5
73.02969	1.9
83.05046	1.8
87.93643	1.1
95.05052	1.1
99.78730	1.1
107.08656	1.9
109.06611	1.7
111.08130	3.9
113.09743	1.3
119.08643	9.3
121.06582	5.4
123.08189	7.2
125.09746	1.7
136.26401	1.2
137.09752	16.2
141.09207	12.7
147.73775	1.3
153.09222	2.3
155.10779	5.8
187.09764	31.4
197.12039	1.6
199.09865	1.5
203.23907	1.1
212.33823	1.3
229.10916	1.9
241.10791	1.3
307.19131	10.4
312.13873	1.3
325.20319	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	325.0934
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.08722	0.2
56.61403	0.3
61.32235	0.2
66.16949	0.2
73.00243	0.3
87.50794	0.3
93.03475	0.4
112.22360	0.3
119.05036	100.0
120.05350	0.5
152.10896	0.3
163.04031	47.3
164.04466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1141
Annotation	2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
Peak:m/z	Relative Intensity
55.01897	3.7
55.75486	2.3
57.03463	17.6
59.01383	100.0
71.01379	52.3
72.99328	6.8
73.02949	33.9
75.00864	30.9
76.57789	3.6
82.03029	4.2
83.01416	12.4
83.84783	2.8
85.02951	25.1
87.00865	3.7
87.04519	4.8
88.71621	2.7
89.02444	26.5
92.65943	2.9
95.01388	3.0
96.08029	2.5
97.02939	2.5
98.02523	3.6
99.00866	5.5
99.04541	12.1
100.48317	2.7
101.02437	76.8
103.04026	16.0
110.02538	2.8
112.98803	5.1
113.02473	23.2
115.00349	10.6
119.03528	6.5
122.06102	3.6
133.01414	21.6
133.05112	4.3
138.65094	2.8
145.05112	6.9
149.55379	3.0
152.07211	11.1
157.29861	3.7
161.04584	17.0
163.06169	6.4
164.74327	3.3
181.07176	15.1
190.05623	2.8
193.05246	4.7
193.07202	60.8
221.39368	2.9
307.09979	4.7
325.11380	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
59.28842	0.2
71.01385	23.5
72.99312	4.8
75.00873	1.2
80.55579	0.2
85.02979	0.5
87.00891	1.1
89.02444	4.7
92.88982	0.2
94.45011	0.2
101.02431	0.5
115.00383	59.6
119.00864	0.2
133.01445	100.0
139.79311	0.2
145.95172	0.2
191.05682	1.2
298.67233	0.3
309.07819	0.3
325.11581	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
62.60432	0.3
93.03476	0.4
117.03484	0.4
119.05022	100.0
163.04021	52.4
244.19649	0.3
273.14490	0.3
289.10605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91543	0.7
58.11296	0.7
59.01402	4.7
60.93321	0.8
61.98833	1.0
68.99828	0.9
71.01452	0.9
73.01196	1.3
87.00883	13.4
87.01283	0.8
90.98607	100.0
92.10768	1.7
92.83212	0.8
117.00186	4.3
117.03487	1.4
119.05035	9.4
121.02951	1.0
134.03793	6.9
135.01291	6.7
140.07304	1.0
145.02957	5.6
146.96638	0.9
160.99152	5.3
161.06116	3.4
163.04048	4.2
179.00226	60.9
193.05075	4.7
203.22061	0.9
226.00301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73425	0.2
53.84415	0.2
54.82928	0.2
59.01381	2.3
59.51393	0.3
59.76984	0.3
61.64664	0.3
63.55802	0.3
68.70373	0.2
71.01382	23.7
72.99305	5.2
73.02928	0.4
75.00875	0.6
80.03340	0.3
85.02970	0.5
87.00879	1.4
87.73556	0.3
89.02442	4.6
92.10155	0.4
101.02448	0.6
115.00379	63.0
133.01442	100.0
133.05136	1.3
134.01825	0.3
179.42453	0.3
191.05664	0.7
325.11557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80048	59.5
59.01406	100.0
81.12572	77.7
85.17448	80.6
89.16043	68.6
91.80190	70.2
132.71638	90.0
156.74329	79.4
196.47014	81.8
196.48915	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32364	0.5
54.41708	0.5
54.83188	0.7
59.01388	3.6
60.30577	0.7
64.06953	0.7
68.99859	0.7
71.01378	1.5
73.01184	5.7
74.24227	0.7
75.00860	1.6
83.01415	1.4
84.94825	0.7
87.00877	12.5
90.98595	100.0
91.96535	0.7
93.01723	0.7
97.06596	13.0
108.66547	0.8
117.00162	5.0
117.03513	3.1
119.05041	16.3
127.92792	0.7
134.03758	4.2
135.01234	3.9
139.02274	4.8
141.89847	0.7
145.02956	12.6
160.99207	6.8
161.04816	0.9
161.06094	6.0
163.04010	10.4
179.00218	51.7
179.05595	3.6
189.05573	1.7
191.49776	0.7
193.05060	3.7
211.83643	0.8
233.04518	1.4
237.09535	1.5
253.12587	1.0
325.11230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.72758	2.7
54.83056	3.3
57.03442	3.7
59.01397	19.8
66.64971	2.7
68.99841	3.2
69.03471	7.3
76.39521	3.1
92.10071	4.1
111.04379	3.1
119.08678	20.0
122.55945	3.6
125.09746	4.4
137.09721	41.7
151.11288	3.6
171.10274	54.8
177.12865	4.5
212.25583	3.4
220.58643	3.2
229.19652	3.7
239.96114	3.3
273.16006	3.2
273.18536	21.7
291.19693	26.8
305.21375	23.1
323.18793	5.4
323.22360	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	323.2232
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
56.96177	1.4
58.31019	1.2
59.01392	10.3
61.98825	1.5
65.43893	1.2
66.52290	1.3
74.81829	1.1
76.47906	1.3
101.92495	1.3
121.02912	1.5
122.97272	1.5
162.95967	1.2
165.12823	1.6
236.85410	1.4
247.98061	1.3
261.22189	3.1
271.86508	1.4
305.21265	100.0
308.93188	1.4
323.16589	2.0
323.22388	17.3
325.57532	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	323.2232
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.24300	3.2
58.07074	3.8
59.01382	28.4
60.93220	3.4
62.44413	3.3
62.54862	3.3
65.07455	3.3
69.04582	3.8
75.86811	3.8
85.35337	4.1
99.08074	4.0
121.10246	18.6
125.09705	8.7
137.09747	7.8
149.09731	8.5
171.10304	8.5
185.11792	18.0
189.09810	3.8
213.14284	4.4
258.65338	5.0
273.18576	5.3
291.19727	100.0
305.21313	36.6
323.22357	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.77051	4.6
54.22415	5.0
57.03471	8.3
59.01389	74.4
62.01160	5.0
65.76370	6.5
71.05022	12.6
78.05847	5.8
81.03452	7.7
83.01379	13.8
83.05021	9.2
95.05049	25.3
97.06586	28.7
106.04316	7.0
123.08137	7.9
125.09708	26.1
135.08167	13.5
185.11789	8.1
209.11885	100.0
216.54851	6.0
237.14954	37.1
239.61540	6.5
243.17790	7.8
263.06308	6.0
265.14471	10.2
287.16507	28.6
305.17453	25.0
305.20749	5.8
323.18759	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	323.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.3
59.01389	4.1
63.83327	1.6
67.77108	1.5
69.03465	3.6
71.05024	100.0
81.03468	9.8
83.05032	3.1
93.32690	1.7
95.05031	24.5
107.05035	2.2
108.02194	2.5
109.02972	9.0
109.06630	13.1
110.03741	7.5
111.04523	11.3
121.02951	2.4
121.06615	7.7
122.03780	2.5
123.04568	4.0
123.08205	2.5
125.09745	4.5
133.06606	7.2
135.08145	3.5
151.07661	21.5
165.09206	3.3
165.12909	2.8
165.57092	1.7
171.10289	40.6
189.12798	10.1
199.13359	2.8
205.15936	3.7
211.13458	4.5
215.06319	2.3
233.11804	2.5
243.17506	13.4
249.14987	4.6
287.16586	55.3
305.17719	29.2
323.18628	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.0
58.00617	1.3
59.01384	100.0
71.01375	18.2
85.02966	4.6
89.02438	18.5
92.10798	2.2
94.40115	1.0
95.01406	1.6
101.02437	9.8
113.02459	5.2
119.03509	6.6
135.04584	1.1
143.07135	4.6
169.88586	1.0
179.05666	1.1
187.18504	1.2
243.63959	1.0
323.13522	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21821	3.9
51.42075	3.7
52.10804	3.9
53.18530	4.3
57.03466	19.8
59.01397	37.1
71.05038	5.6
81.03472	4.3
83.17250	5.1
95.05032	80.5
96.96046	6.6
97.06615	20.2
109.06599	21.7
125.09734	25.9
135.08167	56.6
163.11301	10.8
170.01843	4.4
171.10260	22.6
179.14398	6.0
185.11826	24.2
209.11909	6.0
218.04849	5.1
223.13416	100.0
265.14407	7.8
287.16620	11.1
305.17633	21.3
323.18814	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	323.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97320	0.8
59.01391	100.0
70.42283	0.8
71.01386	14.1
81.15038	0.7
82.78793	0.9
85.02976	4.3
89.02461	18.1
95.01407	1.0
95.45584	0.8
100.77559	0.8
101.02484	8.4
113.02470	6.5
117.07307	0.8
119.03510	8.3
119.55852	0.8
131.03471	0.9
132.32909	0.9
143.07156	4.9
160.23601	1.0
161.04527	0.8
170.82240	0.9
173.26817	0.8
260.76483	0.9
272.38507	0.8
323.13550	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98415	0.4
55.01900	0.4
57.13608	0.4
59.01387	100.0
59.43079	0.4
63.21956	0.4
63.87478	0.4
71.01381	4.4
73.02950	1.7
74.56323	0.4
77.98893	0.4
85.02952	2.0
89.02429	0.9
95.01363	0.6
98.10727	0.5
101.02441	3.1
101.06078	1.1
104.39198	0.5
111.00890	1.7
113.02457	2.3
122.24902	0.5
143.03442	0.9
161.04597	3.4
219.16348	0.5
251.88467	0.6
263.11435	3.3
323.04602	0.7
323.13644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83015	0.5
55.01875	2.4
57.03468	0.8
58.00594	2.3
58.51710	0.5
59.01384	100.0
71.01381	37.5
71.05016	0.7
71.18864	0.6
72.99310	2.2
73.02964	0.7
83.01405	2.3
85.02954	10.4
85.51953	0.5
87.00880	0.9
88.93012	0.5
89.02443	40.4
92.10686	1.1
93.03456	2.4
95.01393	3.4
98.18063	0.6
98.38836	0.6
101.01785	1.1
101.02443	23.8
113.02472	14.1
119.03504	16.7
120.19953	0.6
125.64549	0.6
133.02966	1.2
135.04506	5.0
143.03571	0.8
149.04478	0.7
161.02361	0.6
161.04491	0.8
161.08183	0.6
173.04556	0.8
176.04012	2.9
179.03494	6.1
179.05592	1.1
291.11835	0.6
323.13513	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.6
59.01388	100.0
70.53197	1.0
71.01385	41.1
71.01779	1.5
72.99336	1.5
79.60542	1.0
81.84706	1.0
83.01436	1.6
85.02934	10.1
87.00896	1.3
89.02449	40.9
92.10777	3.6
95.01409	6.2
98.53405	0.9
101.02449	23.7
113.02460	14.3
114.05383	0.9
119.03519	15.7
143.22969	1.2
161.08144	1.4
179.05699	1.1
251.57114	1.0
272.01340	1.2
323.13547	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01386	4.8
59.06674	0.3
59.83712	0.2
71.01379	2.0
73.02948	62.1
78.95900	0.3
85.02963	0.3
89.02480	0.6
99.00880	8.0
101.02435	0.6
105.07685	0.2
108.54240	0.3
113.02461	0.4
116.92861	3.9
117.01945	100.0
118.02230	0.4
119.03564	0.4
143.03575	0.4
152.65869	0.2
161.04590	0.6
211.00000	0.3
323.10077	0.4
323.13647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
60.97544	1.4
66.87578	1.1
68.83025	1.0
72.00403	5.7
72.97534	6.0
72.99332	2.4
87.00873	21.9
90.98011	3.0
90.98588	92.2
92.10758	1.4
97.02968	7.3
100.75629	1.1
101.02462	1.9
104.81769	1.3
115.03994	5.9
119.05016	2.6
125.44371	1.2
133.02933	1.9
135.01236	7.6
141.01917	5.1
144.04550	1.5
159.02972	11.9
160.99156	1.3
162.16350	1.2
168.21307	1.2
173.10062	100.0
175.11076	1.4
177.04039	13.3
179.00227	28.5
189.09531	7.7
191.11133	59.9
193.68280	1.2
217.09035	21.1
235.10149	12.0
261.11688	33.3
272.37500	1.1
272.98706	1.3
279.07889	1.3
279.12744	13.3
305.10629	10.7
323.08145	1.6
323.11728	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	8.6
59.01385	61.8
64.13271	3.9
65.30085	3.8
71.05043	26.9
73.02971	4.1
80.02668	4.2
81.03468	7.9
83.05058	8.2
92.10831	17.2
93.03487	23.2
95.05027	82.2
97.06609	9.8
101.11582	4.2
107.05067	21.6
109.06613	30.3
111.04542	9.5
121.02952	21.3
121.06624	5.4
123.08118	18.1
125.09728	53.0
133.02905	4.3
135.04529	16.9
136.05321	5.5
141.01712	9.9
149.06064	14.7
151.07668	100.0
167.07117	7.7
171.10272	24.8
178.06441	6.4
185.11852	26.7
205.12314	5.2
247.13351	7.1
265.14551	34.3
284.38422	4.0
303.16071	9.8
321.17215	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	321.2075
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01385	100.0
75.00882	0.6
76.57607	0.6
103.04041	0.9
114.87598	0.5
141.01706	0.6
156.86501	0.7
249.75673	0.5
302.51050	0.5
321.20779	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.244
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
52.51229	0.7
59.01383	9.1
76.35597	0.8
101.28094	0.8
141.01709	1.9
154.04018	0.8
185.76773	0.8
296.49106	0.9
298.75009	0.9
321.24393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84388	0.7
55.01873	1.1
55.52597	0.6
57.03452	1.1
57.23671	0.8
58.00606	1.0
59.01389	59.3
61.32305	0.9
70.77483	0.8
71.01382	26.4
72.99319	1.7
83.01389	0.9
85.02962	9.2
87.00882	1.6
89.02448	23.4
95.01404	1.0
99.00905	1.0
101.02448	16.7
111.32387	0.9
113.02448	7.2
113.09734	41.8
119.03521	8.6
141.09250	5.5
143.10844	0.9
155.10805	2.0
156.83070	0.9
159.10284	80.2
170.38225	0.9
201.11359	1.2
292.83453	0.8
321.15619	100.0
331.20743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55117	0.5
55.01888	3.8
56.59994	0.5
57.03460	20.0
59.01389	12.6
64.39213	0.5
68.99832	1.1
69.91084	0.6
71.01389	5.4
72.99308	3.5
74.84235	0.6
75.00877	2.4
82.38275	0.7
83.01393	2.6
84.02170	1.4
84.04545	0.7
85.02953	100.0
87.00914	0.9
89.02452	1.2
92.10191	1.7
101.02423	0.8
103.00403	1.4
105.03449	1.1
109.02943	0.8
111.00877	5.2
111.63531	0.6
115.00366	1.0
115.80894	0.6
124.07680	1.1
127.91167	0.7
129.01947	7.6
129.09212	6.5
133.02968	8.6
136.07677	31.3
137.06087	2.3
138.05586	2.8
138.09297	0.9
147.02995	7.4
173.00925	1.2
177.01970	1.5
191.02005	25.4
209.03073	2.5
232.78232	0.7
234.53027	0.6
251.09494	0.7
259.14496	4.5
321.11868	4.1
321.14960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39480	1.0
55.01902	2.3
57.03461	5.4
59.01388	100.0
60.10600	1.2
60.43623	1.4
61.62017	1.3
63.63980	1.2
65.26753	1.4
71.01383	50.3
72.99315	3.3
73.02963	1.4
77.39107	1.4
80.05010	1.4
83.01402	2.6
85.02948	24.8
89.02443	40.0
95.01435	3.2
101.02444	26.8
101.13992	1.3
108.04604	2.6
113.02450	13.5
113.09749	2.0
119.03503	18.9
120.44096	1.4
120.99672	2.1
129.01898	1.5
141.09259	5.8
150.05612	5.0
159.10300	2.9
175.02454	2.3
191.01959	2.0
215.11739	1.5
242.11964	3.4
267.11218	1.8
285.12491	8.3
303.13528	31.2
321.15591	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74525	0.8
54.16370	0.7
55.01910	1.3
57.03469	1.9
58.00602	1.8
59.01388	100.0
66.17348	0.7
71.01387	38.5
71.01777	1.3
72.99312	1.5
77.87298	0.8
77.97308	0.8
83.01405	4.2
85.02956	12.9
87.00903	1.4
89.02446	39.9
95.01379	2.2
101.02443	20.8
110.96308	1.2
113.02458	14.7
113.09741	1.3
119.03515	17.3
131.03503	1.0
132.04524	1.4
135.07317	1.1
135.23982	0.8
137.56277	1.0
141.09248	5.2
143.03526	1.0
150.05635	1.6
177.18906	1.0
206.16208	1.0
207.37265	1.0
230.99768	0.9
242.11896	2.1
252.85983	1.0
285.12558	3.6
303.13535	13.6
321.15604	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64178	0.8
55.01914	1.5
57.03465	6.2
57.20990	0.8
59.01393	7.0
69.03467	8.9
71.01389	15.4
73.02957	14.9
78.95913	17.1
79.95733	1.3
82.31567	0.9
83.01404	2.2
85.02966	40.8
87.00889	100.0
95.01414	6.0
96.96021	78.8
96.96974	30.4
97.02959	34.7
103.04021	7.4
113.02491	7.5
115.00378	11.7
115.03961	1.7
118.20811	1.1
133.01468	1.9
157.01436	8.5
175.02507	37.1
217.03558	16.0
223.04597	1.2
241.05302	1.0
299.19434	1.0
303.07233	2.1
327.85611	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	320.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76078	0.7
59.01387	100.0
71.81446	0.7
122.30753	0.9
124.38916	0.8
142.34172	0.8
149.54466	0.8
225.31004	0.9
262.73584	0.8
273.92090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70572	0.6
59.01394	1.3
61.18677	0.7
61.50045	0.6
63.96941	0.7
66.06638	0.7
67.01895	4.0
69.39333	0.6
72.99307	4.9
74.97626	0.6
83.01409	4.0
85.02953	18.1
99.00903	1.3
101.02450	1.2
111.00880	100.0
122.48154	0.7
129.01936	3.6
134.33070	0.8
154.99884	10.8
163.26772	0.7
173.00906	20.8
302.11749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0829
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01898	1.4
57.03457	6.6
59.01387	6.2
66.90701	0.5
67.01906	0.8
69.03459	7.5
71.01386	12.8
71.01723	0.7
72.99331	1.2
73.02946	13.2
73.03291	0.7
78.95905	17.5
78.96320	0.9
79.95792	0.8
83.01415	2.7
84.02203	0.7
85.02953	37.5
85.03448	1.4
87.00877	100.0
92.05098	0.9
95.01376	5.0
96.96030	57.2
96.96983	28.5
97.02946	28.3
97.03564	1.0
99.00884	0.7
103.04021	7.7
103.85069	0.6
109.02991	0.9
113.02449	8.9
115.00372	11.6
115.04034	2.5
125.02418	0.7
128.03522	0.6
129.01913	2.9
133.01453	2.3
134.17120	0.6
135.04903	3.1
138.11755	0.6
157.01421	7.5
164.89545	0.8
175.02492	33.8
177.12695	0.6
199.07385	0.6
217.03558	14.2
223.06549	0.9
246.85172	0.6
283.14636	0.7
303.07294	4.0
321.06351	0.7
335.88126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1402
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01881	2.8
57.03455	3.5
58.00607	0.9
59.01386	63.1
64.95779	0.5
71.01382	30.1
72.99313	1.3
73.02962	2.8
76.70958	0.7
82.80757	0.6
83.01405	4.4
84.02157	0.9
85.02956	8.2
86.07791	0.6
87.00909	2.7
89.02441	21.4
95.01397	3.2
99.00899	0.7
101.02438	17.1
111.08167	30.9
113.02463	9.4
114.71553	0.7
119.03481	7.6
136.07658	1.3
137.18039	0.7
138.05576	2.5
139.07646	6.6
153.09192	0.9
157.08713	80.2
181.08386	0.8
199.09834	1.3
319.14044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35156	2.1
57.03460	5.5
57.54123	2.7
59.01389	100.0
71.01385	75.8
72.99339	3.3
73.02965	12.3
76.84943	3.0
79.95747	12.0
80.96526	3.3
83.01407	4.6
85.02957	33.2
87.00880	6.8
89.02457	44.2
95.01401	2.8
99.00893	14.4
101.02435	38.1
108.48507	2.9
113.02439	18.9
119.03469	6.3
120.99673	3.3
121.74189	2.5
129.01950	22.2
139.07668	57.8
141.09209	37.0
151.66151	2.8
161.04572	17.5
175.71194	2.7
189.07085	17.2
194.04651	2.9
196.95692	3.4
319.13934	23.3
319.17719	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	317.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39625	0.7
59.01394	1.1
62.75134	0.7
68.81734	0.6
71.01383	0.7
75.80641	0.8
79.66811	0.7
80.05080	1.5
92.10110	4.1
96.95987	0.9
99.00884	0.9
106.06670	1.2
108.04568	2.0
118.06573	0.9
122.06094	1.4
125.09727	1.2
127.08238	1.0
161.07204	1.3
167.75891	0.9
181.12343	5.2
184.06421	2.9
185.07146	3.3
196.07697	1.7
198.08038	1.4
199.13428	4.1
207.10321	5.1
211.08804	1.8
213.10385	5.2
225.06749	17.7
225.11407	6.4
226.07532	10.5
227.11928	3.0
238.07556	1.7
239.08289	10.3
240.09087	15.3
243.12392	5.2
255.11433	66.2
273.12497	100.0
274.12564	1.1
317.11435	10.0
317.15988	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	319.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19551	2.8
59.01398	19.1
68.55778	2.5
71.01401	3.6
71.37373	3.4
85.02952	11.0
97.46138	2.7
99.48616	2.7
112.04034	7.4
120.04656	6.1
120.99677	4.3
121.02984	4.7
121.05367	12.3
122.06138	19.7
123.03276	18.5
124.04082	15.2
134.06133	3.7
136.07690	100.0
137.06113	13.8
138.05614	57.4
140.07198	3.4
147.86461	3.4
150.05669	3.8
157.08728	4.4
184.06163	11.6
187.81242	3.3
257.12982	15.5
319.13910	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	315.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49992	1.1
57.03471	6.1
57.30402	1.0
59.01394	28.0
71.65618	1.2
75.44445	1.0
83.05064	1.1
95.05054	1.5
97.06596	20.8
113.09731	11.7
123.08182	12.7
125.09731	93.1
127.11314	6.7
129.47156	1.1
140.05724	1.2
141.09250	1.5
155.10814	1.6
159.10289	100.0
173.11841	77.3
174.99321	1.4
177.06677	1.2
187.09732	1.6
200.87820	1.1
206.66800	1.2
217.00349	6.6
232.97643	1.9
255.23360	1.4
315.21808	94.3
315.25482	40.9
316.22424	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	315.2542
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
50.36079	0.3
59.01392	15.6
60.01736	0.5
74.44373	0.4
75.00906	0.8
89.81344	0.4
90.13172	0.5
113.09734	0.9
115.87975	0.4
141.12857	1.0
155.14432	0.8
157.12398	0.7
164.76361	0.5
174.99283	2.4
190.98785	0.9
217.00368	6.9
227.29837	0.5
229.23915	0.6
232.97566	2.3
232.99788	0.9
251.23727	0.5
267.23291	0.8
269.24850	1.9
297.24457	2.6
313.23703	0.7
315.25455	100.0
316.25766	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	317.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91132	0.9
67.62854	0.9
69.03514	0.8
69.30758	0.9
70.54675	0.9
80.42198	1.0
81.87123	1.0
92.43563	0.9
99.00916	2.4
106.06636	1.8
108.04574	2.4
122.06133	1.9
135.04504	1.4
161.07231	1.3
180.44153	1.0
181.12428	2.5
183.05612	1.9
184.06494	2.4
185.07207	1.2
196.07764	4.0
197.07164	1.3
198.08011	4.1
199.13451	1.6
207.10262	1.7
211.08646	1.1
212.10991	1.6
213.10309	6.8
225.06746	16.8
225.11301	6.8
226.07504	15.2
227.11870	1.6
238.07291	1.7
239.08334	9.4
240.09111	16.2
243.12379	5.8
253.09766	1.4
255.11430	79.1
272.08069	1.2
273.12503	100.0
317.11435	11.3
317.16074	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	315.1818
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
56.52599	0.4
57.03458	6.9
59.01391	7.4
73.63389	0.5
76.57890	0.5
80.02686	0.6
83.05033	5.3
94.53028	0.5
95.05034	0.6
97.06599	14.5
97.14485	0.5
99.08170	3.3
105.26292	0.5
107.05089	0.5
109.06623	3.3
111.07378	0.9
111.08171	31.3
123.08176	9.8
125.09727	100.0
126.10072	1.0
127.07692	3.6
127.08533	0.4
129.09189	0.9
143.10783	2.1
145.08731	16.7
159.10268	9.6
169.08710	3.0
169.34328	0.5
173.08136	6.2
174.99205	0.6
187.09779	30.9
189.09268	0.9
193.40645	0.6
217.00331	1.3
253.18196	4.2
297.17142	5.8
315.18185	69.8
328.32623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91611	1.4
52.03635	1.4
57.03463	2.2
58.00592	1.9
59.01382	92.5
62.82168	1.7
70.27863	1.6
71.01385	43.8
73.02959	2.3
73.72189	1.6
82.57768	1.6
83.01414	2.1
85.02963	9.4
85.07498	1.6
87.00881	2.0
89.02435	58.0
95.01389	2.5
96.96028	12.7
99.04536	4.3
101.02457	20.3
101.21375	2.1
108.02180	56.7
109.02959	100.0
113.02443	18.8
117.05624	2.6
119.03490	25.8
128.49214	1.8
131.03493	1.8
135.00893	1.8
136.04054	2.2
143.03601	2.1
152.01166	33.8
153.01944	60.9
179.05589	12.2
279.10864	93.1
279.13959	3.8
307.59979	1.8
315.07266	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0991
Annotation	Chlorochrymorin
Peak:m/z	Relative Intensity
51.88821	0.3
52.18217	0.3
57.69305	0.3
67.81747	0.4
80.05064	4.0
88.82497	0.4
98.55509	0.5
108.03817	1.0
108.04562	30.0
114.45193	0.4
121.05354	3.1
122.06094	0.5
132.04620	0.7
136.07690	49.7
137.44243	0.4
147.03265	4.3
162.05640	14.1
170.78171	0.4
175.70369	0.4
184.15707	0.4
212.09531	0.5
225.10452	0.4
227.11893	0.7
228.08920	0.7
238.07556	3.1
241.06197	3.0
242.06995	3.8
243.11446	4.5
253.09898	8.4
254.10710	0.8
256.08606	3.3
261.65347	0.4
270.10150	1.7
271.10916	100.0
272.11279	0.8
315.09924	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.99430	0.9
59.01395	6.1
61.98841	1.0
81.03460	1.0
87.51707	1.1
91.02220	2.4
95.53080	1.2
107.93532	1.1
125.18573	1.1
185.99661	1.5
198.37498	1.2
249.22299	1.4
251.23840	96.5
269.24921	1.7
295.22803	38.6
296.62759	1.4
313.23904	100.0
324.01508	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	315.0728
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.80806	0.5
59.01395	4.6
63.61296	0.7
71.01382	2.8
74.04923	0.5
74.31881	0.5
85.02975	2.4
89.02459	2.8
92.64846	0.6
95.01404	0.6
95.38844	0.5
101.02464	1.4
108.02190	100.0
109.02968	37.5
113.02448	1.0
115.30140	0.6
117.05589	3.2
121.47575	0.6
123.47236	0.7
151.04034	0.6
152.01170	58.0
153.01956	30.9
163.03987	1.0
165.01941	1.0
279.10840	3.0
315.07254	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.29251	0.5
52.04916	0.4
56.43702	0.3
59.01388	2.9
89.76678	0.5
113.09780	0.4
136.25089	0.4
143.10785	0.9
169.12321	10.0
188.78775	0.4
265.21741	0.5
277.21631	2.2
286.93781	0.5
295.22809	17.3
311.22025	0.8
313.23901	100.0
314.24261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01400	0.5
59.30750	0.2
70.13409	0.3
80.28810	0.3
92.10713	0.3
123.80432	0.3
125.09698	0.6
127.11322	1.8
130.32378	0.3
141.12828	0.5
150.25648	0.3
155.10822	4.0
157.12325	0.7
169.12415	0.3
171.10294	6.3
215.84686	0.3
267.85959	0.4
277.21735	1.1
295.22839	12.1
311.22217	1.8
312.30908	0.4
313.23892	100.0
314.24142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22587	0.6
55.66674	0.7
57.03449	7.4
59.01397	4.0
61.74765	0.6
63.13259	0.6
64.34660	0.7
69.03458	0.9
80.02672	1.2
81.13966	0.7
83.05046	1.2
83.06798	0.7
89.93906	0.7
94.31690	0.9
95.05048	0.8
97.06597	25.4
99.08172	0.8
115.00423	1.3
123.08170	17.1
125.09729	100.0
133.01471	1.2
141.09326	0.9
143.10785	1.0
167.57439	0.8
169.08711	2.9
171.10295	4.9
171.22546	0.8
175.32146	0.8
185.11824	1.2
187.09831	5.5
224.25833	0.8
313.20297	35.4
313.23898	7.7
336.45792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	7.5
59.01391	31.9
63.85396	4.3
68.99423	4.9
73.59071	5.6
83.05064	7.4
97.06602	21.1
111.08160	39.0
113.09753	5.5
123.08192	10.6
125.09728	79.4
155.67955	4.8
157.08731	89.1
159.10260	29.0
165.15102	5.9
171.10303	100.0
173.11852	36.3
229.28346	4.9
313.20270	75.3
313.23932	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	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.7
75.14812	0.4
90.42680	0.4
97.06635	0.6
102.62206	0.5
106.62919	0.5
108.03218	0.5
125.09699	0.5
127.11301	0.7
139.11285	0.6
142.41893	0.5
155.10802	9.2
171.10310	6.7
213.83838	0.5
233.19041	0.8
251.20184	0.6
277.18094	0.7
277.21753	0.7
295.19507	1.3
295.22784	17.0
311.22293	0.9
313.20334	7.5
313.23865	100.0
314.24173	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01888	1.2
57.03450	1.5
58.00555	0.3
58.69993	0.3
59.01387	3.4
65.45277	0.3
71.01384	10.4
72.17665	0.3
73.02946	3.4
75.00906	0.6
81.19172	0.3
83.01386	2.3
85.02952	8.8
87.78188	0.3
88.69445	0.3
89.02445	0.7
95.01418	0.6
96.95993	0.4
99.00884	0.7
101.02452	5.1
107.05037	100.0
112.84374	0.3
113.02453	4.3
120.38754	0.3
120.99657	0.5
143.03508	0.4
151.04039	3.7
159.02986	1.2
161.04570	4.9
191.01962	0.3
193.08708	1.4
268.13171	0.3
286.05374	0.3
313.09360	1.8
314.86700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2233
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
59.01381	2.7
59.75422	1.2
83.74516	1.4
115.92263	1.6
125.09723	2.6
127.11279	8.1
139.11310	15.6
145.41167	1.5
155.10771	2.8
171.10284	78.8
183.10266	7.4
185.11839	13.7
191.32761	1.7
201.11359	10.3
275.20206	5.2
293.21237	20.0
311.22330	100.0
329.60620	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	312.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52300	1.3
59.01390	3.0
61.98847	2.1
69.23559	1.4
76.57536	1.7
91.00325	1.5
96.77059	1.7
97.02973	1.6
113.09757	1.7
122.10547	1.4
125.09817	1.6
126.10063	1.7
127.11247	2.1
128.11615	1.9
139.11295	9.9
140.11642	8.2
171.10284	26.3
172.10638	26.7
185.11829	6.5
186.12132	3.3
192.54712	1.9
193.12415	2.8
194.12662	2.9
202.11766	3.5
211.13492	2.9
212.13885	2.2
276.20575	3.3
294.21616	27.6
312.22675	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	313.057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	4.8
57.03457	21.2
57.03717	1.0
59.01384	13.1
71.01367	5.4
71.79947	0.7
72.99319	3.4
73.02976	0.8
75.00877	2.7
83.01418	3.1
84.02182	3.4
85.02952	100.0
88.98762	0.8
96.96031	3.3
101.02461	3.7
103.00381	1.0
107.05035	1.2
121.02958	14.2
129.01959	3.7
134.03738	1.1
135.04091	1.0
147.03024	9.0
185.87817	0.8
191.01988	14.0
211.99100	0.9
223.06221	1.1
313.05685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2233
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.12137	1.3
59.01388	3.8
85.65909	1.7
97.02946	1.8
113.09747	6.9
137.05522	1.4
139.11298	28.8
154.83047	1.5
171.10283	32.5
210.96957	1.9
211.13474	2.4
213.47653	1.6
239.41945	1.8
293.21255	28.2
300.21176	1.7
311.22336	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	311.2233
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.04706	0.9
52.75310	0.9
52.86934	1.0
55.50067	1.4
57.03465	2.1
59.01406	1.4
90.39845	1.1
92.66114	1.2
97.25781	1.2
115.74957	1.0
120.62447	1.0
125.09723	6.5
127.11288	7.9
131.36638	1.3
137.09705	1.6
139.11316	13.1
155.10741	1.8
169.04958	1.1
171.10289	83.4
183.10280	6.9
185.11830	10.3
201.11345	10.4
238.73123	1.1
275.20142	4.7
293.21246	13.5
311.22333	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	311.2233
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03428	1.5
59.01394	7.5
62.43660	1.3
66.02013	1.2
80.83713	1.2
83.05040	1.6
88.08978	1.2
92.65063	1.6
97.02966	1.9
99.08151	2.1
111.69470	1.3
113.09722	3.1
121.10213	5.3
139.11298	14.8
171.10280	35.5
193.12378	8.0
211.13472	6.8
215.20723	1.4
246.11516	1.3
275.20184	1.5
293.21320	24.4
311.22351	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	311.0989
Annotation	Vicianose
Peak:m/z	Relative Intensity
51.92034	1.4
55.99940	1.3
57.03462	1.6
58.00617	1.7
59.01390	88.1
66.06934	1.2
71.01392	47.0
72.99311	1.9
73.02949	17.6
74.27750	1.3
79.95768	6.3
80.96545	3.3
81.45879	1.4
83.01424	2.7
85.02969	6.0
87.00885	6.4
89.02456	100.0
97.02988	2.1
99.00882	35.3
101.02460	33.8
109.03042	1.6
113.02470	2.4
125.02510	2.5
131.03494	7.4
135.04576	3.2
136.88933	1.3
143.03484	1.7
146.41293	1.4
149.00940	2.3
149.04576	33.9
159.25233	1.4
163.14468	1.5
179.03522	1.9
191.05603	12.7
196.95790	3.1
214.96967	2.1
221.06596	1.6
293.19266	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	311.2229
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
57.03443	1.2
59.01396	9.2
60.20851	1.2
72.49919	1.1
88.76627	1.1
98.21738	1.2
141.12860	2.4
145.03806	1.1
171.10294	27.3
183.10254	1.5
218.18564	1.4
263.20190	4.6
275.20215	10.2
293.21277	28.8
311.22327	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	311.0987
Annotation	Vicianose
Peak:m/z	Relative Intensity
52.08480	1.9
52.37284	2.0
55.01865	2.5
59.01384	88.4
71.01385	48.5
73.02959	17.3
83.01384	2.9
85.02950	3.5
89.02441	100.0
96.96032	2.4
99.00867	26.7
99.09673	2.4
101.02444	31.3
113.02472	3.4
121.54830	2.6
131.03493	5.9
149.04590	24.2
191.05611	12.8
192.87126	2.7
280.21420	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	311.0989
Annotation	Vicianose
Peak:m/z	Relative Intensity
59.01388	99.1
64.85062	1.7
71.01385	61.1
72.99323	3.1
73.02934	18.3
73.88887	1.7
74.02465	15.0
83.01424	2.9
85.02974	4.4
86.88258	1.9
87.00894	3.6
89.02445	100.0
96.96028	18.4
99.00892	35.1
101.02450	34.0
103.79089	1.8
107.95354	1.8
113.02451	4.1
121.02891	1.7
131.03490	13.3
133.74608	1.8
134.03728	4.0
135.04536	2.8
149.04562	33.9
163.04018	2.5
191.05627	15.5
193.05055	1.9
205.12364	3.7
231.12372	3.4
237.41385	1.7
249.11325	2.4
292.88788	1.8
311.07629	13.4
311.11295	2.1
331.51877	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	311.0984
Annotation	Vicianose
Peak:m/z	Relative Intensity
51.86490	2.1
56.01514	1.8
58.00624	2.2
59.01384	99.5
60.59604	2.1
71.01378	61.6
72.01718	2.1
72.99332	2.8
73.02935	20.6
75.00888	3.0
83.01446	3.1
85.02937	3.5
89.02443	100.0
96.96013	3.3
99.00891	28.5
101.02433	34.2
113.02460	3.6
131.03520	12.7
137.02306	2.2
143.03542	2.5
149.04564	28.4
165.04048	8.4
170.09581	2.2
175.84442	2.1
191.05606	13.7
251.73749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.34188	2.0
56.44560	2.4
57.03459	4.6
59.01396	13.7
59.61784	2.1
61.76615	2.4
61.85044	2.3
61.98861	2.8
64.15842	2.2
71.05027	29.0
86.73972	2.3
97.06593	2.7
104.00460	2.3
106.29456	2.3
116.29274	2.4
121.10266	3.9
125.09753	5.0
137.09718	17.5
147.54852	2.4
171.10287	56.0
185.11884	12.6
211.01134	2.6
211.13466	2.7
237.14969	3.5
251.16541	20.9
277.38428	2.9
291.19733	65.0
309.20773	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50513	2.8
51.11993	3.3
58.58520	3.0
59.01385	9.1
67.10558	3.4
71.05022	8.3
82.96105	3.6
84.88352	4.0
89.66293	3.7
90.13496	3.3
97.06579	4.4
121.10242	17.6
125.09705	13.7
137.09709	16.1
140.23950	3.6
171.10255	34.5
185.11862	20.6
251.16547	50.1
291.19778	100.0
309.20792	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.4
58.00608	1.2
59.01385	91.3
62.45192	1.2
67.12028	1.0
71.01383	55.4
72.99303	1.6
73.02954	17.9
82.19295	1.1
83.01414	2.0
85.02930	3.0
87.73423	1.3
89.02444	100.0
92.10094	2.8
97.02986	1.7
99.00883	31.4
101.02445	31.1
113.02474	6.4
125.02446	2.0
131.03474	9.6
143.03540	1.6
149.04567	29.8
191.05576	13.2
192.84102	1.3
207.09906	1.2
252.04958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	9(S)-HPOT
Peak:m/z	Relative Intensity
51.59544	7.9
55.49847	6.9
59.01369	28.3
73.43073	7.7
76.75819	7.5
92.10828	13.6
97.06586	13.6
99.00906	7.9
121.10250	76.6
125.09743	37.9
151.04034	12.0
151.07649	22.0
152.08537	15.5
169.26582	9.7
171.10260	66.3
185.11836	82.7
197.11836	11.7
209.15518	38.9
240.22403	10.1
273.18585	12.5
275.20264	9.4
291.19751	100.0
309.17123	36.6
309.20605	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	309.2077
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.48760	2.1
55.59536	1.6
57.03463	2.5
59.01391	4.0
61.98821	2.5
64.80869	1.7
66.92579	1.7
75.84055	1.7
79.95760	4.5
80.02684	13.8
95.05037	2.1
96.95386	2.6
96.96012	74.3
119.08528	2.4
123.08172	21.3
125.09715	21.0
127.11286	9.3
131.98558	2.0
137.09711	16.3
139.11273	12.7
141.12859	4.2
151.07663	4.6
155.10780	46.5
167.10771	3.6
171.10281	99.9
185.11852	100.0
209.15535	4.8
212.10454	3.2
247.20615	2.4
263.20123	12.4
281.21362	15.6
291.19681	39.9
309.17389	87.2
309.20770	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
58.35070	3.3
59.01392	28.2
63.18727	3.6
71.05037	24.6
87.92134	4.8
91.73669	4.0
97.06567	5.3
121.10243	8.5
125.09731	5.9
137.09720	29.0
171.10292	55.9
182.27461	5.5
185.11868	6.3
237.14873	5.2
251.16591	22.5
291.19672	81.1
309.17322	5.4
309.20731	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	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01389	4.4
71.05048	2.4
72.81567	2.0
78.91084	2.0
80.02663	17.7
81.03481	9.1
83.05027	30.1
83.05427	2.2
84.02164	21.1
92.66189	2.0
97.06605	10.7
99.08179	13.7
99.28977	2.1
104.67471	2.2
113.09771	2.3
125.09731	12.4
127.11324	10.9
131.78180	2.2
137.09724	90.3
139.11261	21.1
151.04015	3.7
151.07642	3.4
151.11301	5.1
152.08482	3.4
153.09247	5.4
155.10785	51.3
167.10799	3.9
167.61404	2.1
171.10278	77.2
184.07414	2.6
193.12309	27.2
202.59505	2.3
206.44557	2.3
209.15443	8.1
210.33958	2.2
211.13364	8.9
247.20636	9.3
251.57913	2.9
263.20248	9.3
264.36865	2.5
265.21674	4.8
291.19702	100.0
309.17108	11.6
309.20721	98.2
309.23492	2.2
309.24451	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.19902	1.3
54.40702	1.6
59.01400	3.1
71.05042	3.1
80.02669	13.8
81.03468	7.4
83.05029	30.0
83.57642	1.7
84.02180	15.1
96.11700	1.5
97.06602	4.2
99.08186	12.9
99.42834	1.9
111.08152	2.9
115.07696	2.7
125.09689	3.2
127.11284	6.8
137.08746	3.7
137.09723	62.2
139.11272	14.7
139.42032	2.0
151.03929	2.4
151.11295	8.0
153.09213	11.2
155.10789	45.8
157.23251	1.7
157.78699	2.1
167.10837	8.6
171.10292	71.0
180.04367	3.0
193.12361	24.0
211.13460	3.7
221.11949	2.0
247.20619	4.1
248.89232	2.0
263.20224	7.7
265.21899	7.4
281.21271	2.0
289.42523	2.0
291.19705	100.0
291.22980	4.0
309.17288	3.5
309.20764	71.1
309.24130	3.7
328.89191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87450	0.8
59.01390	2.0
64.56794	0.9
70.26518	0.8
73.85590	1.0
75.76376	0.8
77.09457	1.1
77.34186	0.8
77.40903	0.8
79.95738	8.3
80.96513	1.1
91.78777	0.9
95.95235	2.2
96.96010	89.4
100.35672	0.8
104.49422	0.9
122.97564	2.2
151.03973	1.6
151.07832	1.3
152.08420	2.0
164.78554	0.8
197.58531	0.9
209.15553	1.5
309.17474	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	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.16277	1.4
59.01393	3.3
59.71492	1.1
69.03470	8.3
69.80984	1.1
75.80534	1.3
83.20059	1.3
85.02968	6.0
90.40193	1.5
91.36787	1.1
95.83887	1.2
97.02953	86.1
100.64793	1.3
105.07365	1.1
111.08228	1.5
119.08655	6.0
121.76108	1.4
125.09738	5.9
127.15639	1.5
137.09727	22.3
155.37939	1.4
171.10281	44.7
185.11853	9.1
211.13370	1.3
221.11829	5.0
221.78149	1.2
231.00635	1.5
239.12851	5.5
273.18472	2.3
291.19656	26.9
309.20773	100.0
320.52548	1.4
320.56454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
59.01385	12.0
96.96016	17.7
99.00880	7.2
120.77039	6.9
123.08201	12.3
125.09758	10.0
127.11227	9.6
151.03983	11.2
151.07666	9.7
152.08437	7.8
155.10843	41.9
160.61044	6.7
171.10260	100.0
185.11891	96.3
190.94646	7.7
209.15501	36.5
235.75713	8.3
263.20062	10.9
265.18167	9.4
291.19653	33.9
296.88260	7.0
309.17172	57.0
309.20804	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.29076	1.0
54.40181	1.0
54.82741	1.4
58.86259	1.1
58.96962	1.5
59.01388	2.6
59.71909	1.5
61.62990	1.2
70.16409	1.2
71.29816	1.2
97.58929	1.7
111.43295	1.1
121.10246	18.6
123.08152	1.5
125.09749	7.9
155.10089	1.3
171.10275	2.9
185.11781	14.0
195.13870	1.8
197.11842	2.7
211.13425	74.6
245.70038	1.4
268.83463	1.4
273.18530	2.4
291.19693	100.0
292.19995	1.5
309.20670	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	309.2074
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
62.26571	2.4
68.53463	2.6
69.03467	6.1
72.41442	2.9
73.55295	2.7
85.02973	4.2
97.02940	87.5
100.09493	3.2
111.08177	4.5
114.39760	2.7
136.37622	3.4
137.09755	25.5
142.15303	3.9
151.07613	4.8
152.08388	4.9
171.10269	40.1
177.12927	3.8
209.15518	7.1
221.11896	4.5
236.38358	3.6
239.12807	3.6
291.19748	31.6
309.17233	15.5
309.20731	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	309.2075
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.54090	1.6
57.24111	2.2
59.01381	2.3
69.03468	3.3
72.50567	1.9
80.31767	2.6
89.22379	2.4
92.10143	2.8
92.53149	2.4
107.08716	2.6
116.39983	2.2
119.08659	19.8
121.10323	2.2
125.09735	8.7
137.09727	25.9
161.28171	2.5
167.10773	3.5
171.10283	100.0
183.10225	3.9
185.11838	24.1
201.11418	4.3
213.11407	9.1
270.39325	2.6
273.18649	13.3
291.19745	42.4
309.20758	49.9
312.07217	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.09194	3.3
51.60611	3.6
54.40654	4.3
55.17586	3.4
59.85778	3.4
61.20429	3.4
61.50393	3.9
65.70542	3.7
69.03447	6.3
78.46019	3.8
92.10776	5.0
94.60274	3.9
119.08666	18.1
125.09735	9.0
127.11234	4.9
137.09740	30.0
154.39595	4.5
171.10252	100.0
185.11821	23.1
201.11407	5.4
213.11453	7.6
273.18585	9.4
289.90991	4.6
291.19586	24.1
309.20786	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98241	0.3
55.54831	0.3
59.01390	0.5
65.09866	0.4
96.46715	0.4
103.92812	0.4
148.05316	48.6
179.01759	8.4
180.04297	100.0
197.02901	0.6
209.15404	0.5
209.21217	0.4
257.15546	0.5
309.15225	6.5
309.20728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49604	0.9
54.82756	1.2
55.01921	1.2
59.01392	100.0
71.01396	32.1
72.17138	1.1
72.99323	1.8
73.02960	4.7
73.63111	1.1
83.01395	1.9
83.05064	1.5
85.02972	7.1
89.02450	31.0
90.34460	1.1
94.13849	1.0
95.01384	2.3
99.04556	1.2
101.02461	18.8
101.06110	2.7
113.02468	10.5
117.01941	2.7
119.03507	10.1
129.05585	16.9
147.06667	10.0
148.75385	1.2
153.84972	1.2
218.54095	1.4
251.68567	1.5
309.11966	88.6
310.12442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01388	2.2
71.23966	1.5
75.12179	1.7
80.02703	3.4
80.95907	2.0
93.07127	7.6
97.06596	2.7
97.84669	1.8
104.15154	1.7
106.04240	6.9
107.08706	2.9
121.06601	38.5
123.08128	2.7
125.09737	27.8
127.11279	3.8
135.08180	20.0
137.09731	3.3
138.62025	1.7
140.57671	1.7
141.12848	2.4
153.09247	15.8
165.12888	3.5
167.10741	2.4
171.10286	68.3
173.19475	1.9
175.74928	1.9
176.72737	2.0
179.03500	2.8
185.11839	100.0
207.13922	1.9
209.11795	8.2
212.10506	11.6
245.19080	10.8
261.18591	10.4
263.20215	7.3
277.21191	2.0
279.19681	12.0
284.74759	1.8
289.18213	18.1
307.19211	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	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45340	11.2
51.33265	13.4
58.33518	12.0
59.01385	35.9
61.98836	17.8
65.18499	14.4
92.10101	31.1
95.04979	17.3
102.05708	13.9
135.04555	76.4
139.65729	15.6
151.11360	25.0
155.10683	15.7
160.21539	13.4
165.12883	28.6
174.66245	14.8
179.03601	19.1
181.12381	55.8
191.10843	17.0
209.11868	100.0
245.19209	67.8
271.22699	61.6
289.18176	32.4
307.19150	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77271	14.3
57.03474	15.5
59.01378	31.1
61.08233	16.3
62.08978	17.4
63.25872	14.7
67.95296	16.4
70.75179	15.7
71.01385	18.3
83.05013	24.3
88.44134	21.4
92.65430	16.5
97.06602	25.8
105.69975	17.3
111.08181	22.9
112.64190	16.5
135.04492	87.1
151.01123	18.8
151.11295	67.6
157.07277	21.8
163.57951	19.9
165.12872	35.1
179.03578	33.7
181.12379	73.8
191.10779	29.9
208.88881	18.0
209.11842	89.8
216.82564	19.9
241.59967	21.5
245.19244	34.5
271.22855	100.0
289.18103	42.8
307.19354	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2284
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.28756	0.3
59.01389	0.6
61.98843	1.7
86.75996	0.4
115.14534	0.4
116.92885	0.6
126.66489	0.4
140.62309	0.3
224.96706	0.4
234.77299	0.4
307.22845	100.0
308.23203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.99338	0.2
57.03429	0.4
58.30512	0.2
59.01384	6.5
63.14344	0.2
65.35118	0.2
66.59875	0.2
71.01381	2.8
72.99296	0.3
73.02944	62.3
77.80215	0.3
85.02951	7.1
87.00874	1.7
89.02450	1.9
93.03443	1.6
99.00870	7.9
101.02452	1.7
103.00368	2.5
111.04509	1.1
112.98779	0.4
113.02441	1.2
113.04374	0.4
116.92883	2.5
117.01939	100.0
119.03507	0.3
120.99670	0.4
127.04019	1.7
129.05446	0.4
133.02931	1.6
147.06639	0.4
171.92938	0.3
173.04582	0.6
191.05629	53.4
309.12018	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.6
59.11616	0.5
63.83041	0.5
71.01383	21.9
74.99100	1.1
81.51419	0.6
89.03967	3.4
93.03452	1.2
115.00364	4.1
117.03458	10.0
119.05041	0.7
131.26843	0.5
133.02980	2.6
134.03749	100.0
135.04529	11.4
136.01674	1.3
137.02469	0.8
139.26282	0.5
149.06133	6.8
151.04015	1.0
163.65103	0.6
178.02666	6.9
190.78157	0.6
191.17123	0.6
193.05089	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69016	0.5
54.94770	0.5
59.01389	2.6
71.01389	23.0
71.53890	0.4
73.80461	0.5
82.94885	0.5
83.23879	0.6
85.02958	2.7
89.03999	2.9
101.02464	1.2
102.56731	0.5
103.81180	0.6
105.03465	0.7
106.04264	0.5
115.00372	7.0
115.64126	0.5
117.03471	11.6
119.05038	2.0
121.02959	2.9
121.82191	0.6
125.02426	0.5
129.01939	6.1
133.02974	6.2
134.03749	100.0
137.02454	1.3
145.08733	0.6
147.02977	4.3
149.06088	7.3
161.02461	0.6
163.04124	0.9
163.05971	0.7
177.01865	1.0
178.02745	6.3
184.24254	0.5
193.05087	73.8
194.80138	0.6
209.06035	0.7
211.56398	0.6
257.88120	0.6
281.04599	0.8
308.14264	1.0
309.14484	2.3
320.59305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82390	2.8
57.03452	4.6
59.01394	15.0
61.98802	3.2
67.01907	4.1
69.03467	4.6
81.03456	14.5
83.01408	15.4
83.05016	4.0
86.84933	2.6
95.04992	4.7
97.02975	11.4
97.06592	15.4
98.03791	2.5
107.05038	3.1
109.06589	4.1
113.05203	2.9
123.04506	19.7
123.08158	6.9
125.09734	37.4
135.04530	5.0
135.08160	5.4
136.05330	3.7
137.06123	3.3
137.09727	22.0
162.10445	3.0
163.11295	37.0
171.10428	3.0
173.39546	2.6
177.12936	2.8
185.11888	27.3
191.10735	4.9
191.14397	20.1
207.10283	17.1
207.37846	3.5
209.11841	63.5
211.13396	4.6
225.11246	19.7
233.15482	4.0
245.19191	49.1
263.16599	2.9
263.20230	4.7
271.17029	4.0
271.72028	2.8
289.18100	100.0
307.19138	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
54.15266	0.8
56.10094	0.9
58.86780	1.0
59.01389	6.8
61.98832	1.2
63.19260	0.9
63.47637	0.9
63.75824	0.9
71.05032	6.1
77.44427	1.2
77.86703	1.0
80.02647	1.4
81.03456	1.4
83.05041	1.8
95.05025	1.8
96.96031	1.2
97.06583	1.0
98.03753	2.2
99.46719	1.0
104.90882	1.1
107.05038	1.3
109.06599	21.8
111.04552	12.7
114.44860	1.0
116.92754	1.1
123.08179	2.6
127.07668	4.5
135.04562	2.2
137.09718	1.4
145.06598	1.5
149.09641	1.2
167.10699	1.7
179.03499	1.6
181.12430	1.4
185.58664	1.1
195.13924	7.1
223.13446	1.3
235.13353	1.9
245.19142	5.7
287.16666	2.3
289.18140	100.0
307.15793	1.7
307.19162	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31433	2.9
53.72541	3.4
59.01382	4.6
59.07867	3.6
65.03975	81.8
67.52242	3.0
71.05028	40.5
71.93024	3.3
72.90133	3.0
75.07390	3.7
77.01397	3.1
97.06593	84.7
97.07195	5.6
109.32620	3.4
119.08647	16.2
119.44604	3.3
121.06583	100.0
125.09727	57.4
132.04639	3.2
137.09729	4.6
180.93141	3.6
185.11861	94.9
209.11917	43.1
211.13457	40.0
235.13399	91.6
289.18097	22.7
307.19073	26.2
327.04022	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.192
Annotation	Albocycline
Peak:m/z	Relative Intensity
54.82551	0.4
55.68310	0.5
57.03465	2.9
59.01399	1.8
69.03501	0.6
72.99319	1.2
75.68551	0.5
76.45428	0.5
83.05057	0.9
85.06578	0.7
93.07117	2.1
97.06601	1.2
106.04248	0.5
111.08167	1.1
114.53950	0.5
121.10233	45.5
127.11282	0.6
135.04578	0.7
137.09697	0.7
155.10793	6.3
165.12956	1.9
191.27184	0.5
194.45955	0.5
205.12375	0.6
261.18616	10.8
263.23804	2.5
271.18927	0.5
307.19199	100.0
307.22827	25.0
308.19388	0.8
326.82153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.72303	0.5
55.01884	0.7
57.03454	1.1
58.00616	1.0
59.01391	56.9
71.01385	26.0
72.18652	0.6
72.99329	0.8
73.02945	3.4
75.06242	0.6
83.01393	3.4
83.10071	0.6
85.02952	7.1
87.00903	2.6
87.04758	0.6
89.02449	26.4
93.03467	4.9
95.01418	1.5
99.08153	29.5
101.02438	15.7
113.02454	9.7
119.03503	8.2
127.07649	4.4
129.09251	1.4
134.03708	0.9
135.04515	9.1
141.09219	1.6
145.08714	73.7
153.78207	0.7
173.04619	1.6
176.04036	12.7
176.54214	1.5
179.03528	9.6
187.09747	3.1
209.35931	0.7
307.14020	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	307.1919
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01889	3.4
57.03461	6.9
59.01384	2.5
65.03975	75.8
69.03482	1.7
71.05027	42.6
81.03465	1.5
83.05050	2.1
97.06590	81.0
109.06626	2.1
119.08685	18.5
121.06595	100.0
121.10184	1.5
123.08143	6.1
125.09716	50.6
129.93768	1.4
137.09688	5.7
139.11349	1.7
141.12837	2.3
167.14403	1.4
185.11845	74.3
185.93050	1.4
203.75967	1.4
209.11856	36.0
211.13448	41.0
235.13416	94.2
289.18115	17.8
307.19241	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.40636	0.7
55.01895	1.3
57.03460	1.4
58.00591	1.1
59.01385	73.5
65.95659	0.7
71.01385	30.5
72.99306	1.9
73.02954	3.3
78.23712	0.7
83.01390	1.7
85.02951	12.4
87.00845	0.8
89.02441	24.6
95.01389	3.0
97.06567	0.8
99.08142	5.8
101.02438	19.2
110.29678	0.7
113.02441	11.1
119.03503	8.8
119.04164	0.6
120.99664	10.5
121.02998	0.8
127.07653	11.7
133.02971	3.9
135.04532	43.5
135.85168	0.8
136.69661	0.7
145.08720	10.3
161.02461	9.6
179.03499	30.0
219.10716	1.3
223.10600	0.8
260.40900	0.8
289.07095	0.9
307.08319	8.1
307.14063	100.0
317.83893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1763
Annotation	Corrin
Peak:m/z	Relative Intensity
52.66110	1.8
57.03452	2.1
58.24314	1.5
59.01388	27.7
72.27261	1.6
79.05537	2.1
94.86239	1.7
97.06570	3.3
97.37919	1.7
103.31790	1.9
106.04275	3.1
107.04990	2.4
117.07090	2.5
120.05812	7.8
124.33091	2.2
125.09743	8.8
135.08162	100.0
141.01682	9.4
163.50108	1.9
187.39859	2.1
223.13425	2.3
243.68277	2.2
249.14922	12.1
257.45868	1.8
262.59094	1.8
263.16547	2.2
287.16534	7.3
305.17685	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75046	0.5
55.51771	0.5
62.04179	0.5
63.91732	0.5
74.99092	6.3
77.07570	0.5
86.85022	0.5
91.02246	3.4
92.10854	1.9
93.00156	4.6
135.04527	1.1
149.00920	4.2
159.08502	8.7
161.06415	2.7
166.33122	0.5
192.98131	1.1
206.99750	1.2
209.01306	4.0
223.02890	52.3
230.12308	0.6
241.04044	1.1
241.71402	0.6
289.07654	2.5
291.09155	100.0
292.09570	0.6
307.12253	2.4
309.10110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08020	0.9
57.14762	1.2
59.01386	1.1
62.95658	1.1
74.99084	6.5
85.79597	1.0
91.02222	2.3
93.00156	4.9
98.95844	1.1
128.39830	1.1
133.00140	1.1
135.04572	2.4
149.00923	1.6
151.93527	1.1
159.08505	11.8
161.06416	2.3
180.51582	1.2
206.99773	1.3
209.01250	1.7
217.07213	1.7
223.02858	50.0
262.31674	1.1
283.93323	1.2
291.09140	100.0
307.12137	1.5
309.10159	1.3
326.52289	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	305.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	11.7
57.03462	12.3
58.00611	1.8
58.61357	1.9
59.01384	79.7
71.01380	100.0
72.99341	3.2
73.02943	27.8
73.29843	1.7
75.08625	2.2
75.12174	1.7
83.01389	14.8
85.02953	64.2
87.00898	2.9
89.02434	27.4
92.10755	3.0
95.01387	14.1
95.05025	2.6
99.00894	10.0
101.02436	55.2
105.03493	10.8
109.06635	3.2
113.02449	44.5
119.03500	10.4
121.02974	3.2
123.04519	5.1
125.06081	18.7
127.07701	7.0
129.01971	3.0
132.02153	2.2
133.02956	62.2
133.03885	4.0
135.04524	69.3
138.05620	4.1
139.04051	7.9
145.38164	2.2
149.02420	18.8
159.03000	9.8
161.04572	35.4
177.01920	12.2
179.03487	8.4
179.05754	2.6
233.24193	2.5
261.07892	2.2
261.13434	13.8
305.06766	13.8
305.12405	19.3
305.16135	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	305.1761
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.78655	1.1
57.03462	2.4
59.01385	24.7
65.03972	1.8
71.05035	9.3
71.95720	1.2
79.05527	16.8
81.93728	1.3
93.03436	1.8
95.05036	2.0
97.06586	17.1
106.04256	7.7
107.05048	2.4
120.05822	8.4
121.06623	3.1
123.08155	8.4
125.09729	15.8
125.16036	1.4
131.07915	1.3
135.08170	100.0
137.09755	2.1
141.01711	5.9
163.11246	1.8
205.16074	3.1
221.11984	1.9
249.15016	51.3
263.16736	2.1
287.16513	2.5
305.17639	59.3
305.21136	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	305.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	9.4
57.03458	13.5
59.01388	82.0
67.35433	2.0
69.03432	1.9
71.01385	100.0
71.49461	1.8
73.02946	26.2
76.57923	1.9
83.01398	16.7
84.12174	1.8
85.02957	61.6
89.02444	22.3
95.01421	7.6
99.00890	10.1
101.02444	50.0
105.03505	3.6
111.04549	2.0
113.02454	40.2
119.03497	4.6
123.04460	2.0
125.06117	13.6
126.32437	2.0
127.07666	9.7
129.01967	3.5
133.02936	9.5
135.04523	17.0
139.04060	2.6
143.03592	2.6
143.47929	2.1
149.02466	3.4
159.02983	8.5
161.04565	37.6
201.49545	2.0
240.84296	2.2
261.13416	12.8
305.06876	4.3
305.12451	16.8
305.16095	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	305.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	1.5
59.01389	100.0
70.02991	2.1
71.01386	46.6
72.93904	1.4
72.99316	3.0
73.02975	3.0
74.02477	41.4
74.02852	2.1
78.38148	1.4
81.07102	14.1
85.02956	16.3
89.02445	38.9
92.10132	3.3
98.02505	10.5
101.02445	19.0
113.02454	13.9
116.03510	13.9
119.03508	15.0
119.27620	1.7
125.06083	6.3
132.04570	13.9
135.24153	1.4
141.73260	1.7
144.04628	3.1
179.05608	2.3
186.84102	2.0
201.06795	2.1
261.08871	9.8
262.71268	1.8
272.25818	1.9
305.12555	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48478	0.7
54.82743	0.7
59.01390	67.6
60.01729	6.6
61.01809	1.0
61.98841	100.0
66.78696	0.8
73.80032	0.7
83.75323	0.7
117.00453	1.3
117.02232	3.1
118.00569	4.6
119.00202	4.9
146.98547	0.9
159.01497	10.1
160.01657	21.1
161.01213	19.3
161.98961	18.8
162.01633	4.0
183.67392	0.9
201.02559	1.2
202.02756	4.4
203.02263	5.5
203.99976	3.2
204.02647	1.2
262.01465	1.2
264.38245	0.8
278.66675	0.9
303.99500	11.1
304.03033	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	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82357	2.1
55.32838	2.1
55.43837	2.2
58.02981	52.6
108.13309	2.9
168.13936	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	304.2285
Annotation	Samandarine
Peak:m/z	Relative Intensity
54.82895	0.6
59.01393	4.1
60.80799	0.6
61.98829	0.7
86.06131	43.9
92.10155	1.3
107.57225	0.6
118.93387	0.6
141.01714	1.5
170.10281	0.6
262.21805	2.7
286.33542	0.7
304.22864	100.0
305.23148	1.2
318.75821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.013
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99583	100.0
72.04120	0.4
78.95911	10.7
93.46910	0.4
96.96958	10.7
111.02016	38.0
112.98573	99.3
131.89664	0.5
147.98979	0.5
255.39784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91576	0.5
76.57124	0.6
95.05060	1.2
107.03736	0.6
110.06140	7.1
120.04556	1.2
121.05358	3.3
122.06123	29.0
124.04063	1.2
135.06914	7.7
135.80397	0.6
136.04042	0.8
137.04825	1.1
138.05670	1.6
144.04625	0.9
145.05357	4.7
146.06137	1.1
147.03334	0.9
149.04825	7.9
150.05652	1.3
162.05623	5.8
163.06401	32.5
164.03558	1.4
164.07176	4.7
165.04262	0.7
166.05098	9.9
167.05896	1.7
172.89368	0.7
176.03481	0.7
177.04326	6.9
194.04662	5.8
195.05397	35.1
211.04382	0.7
234.40730	0.7
245.41359	0.7
255.11272	2.4
267.11426	3.8
273.12500	30.8
285.12479	100.0
303.13571	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	303.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40686	0.4
68.99831	0.5
69.58864	0.4
69.97133	0.4
74.49714	0.5
76.31627	0.4
95.05032	2.5
100.32883	0.5
104.05098	0.5
107.03773	1.8
110.06108	6.8
120.04553	1.9
121.05327	2.9
122.06122	29.6
124.04020	1.8
134.06122	0.7
135.06917	10.4
136.04015	0.9
137.04846	1.0
138.05609	3.0
144.04578	1.1
145.05385	3.4
146.06136	2.0
148.04030	0.9
149.04845	8.8
149.98938	0.4
150.05617	2.6
162.05629	6.2
163.06398	39.0
164.03546	3.1
164.07156	3.9
164.73798	0.5
166.05104	9.6
167.05788	3.2
176.03572	0.8
177.04303	7.8
178.05067	0.6
194.04617	4.3
195.05394	36.3
197.88040	0.5
242.11781	0.5
255.11394	2.3
267.11435	2.9
273.12479	30.0
285.12485	100.0
303.13504	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	303.2335
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
50.84829	2.0
52.42906	2.0
54.34846	2.2
56.12348	2.4
57.32706	2.2
61.98854	2.8
67.57018	2.8
76.67492	2.4
91.01926	3.1
92.10699	3.1
151.37048	2.7
250.76338	2.6
303.23318	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	303.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00082	0.8
59.00542	0.7
59.01396	1.0
65.55628	0.9
66.03532	0.8
70.49903	0.8
82.02976	1.3
84.73129	0.9
89.07461	1.0
95.04976	1.1
96.04557	11.0
110.06152	1.5
120.04559	1.5
121.05319	1.9
122.06127	13.6
123.03270	10.9
132.04483	1.5
136.07693	3.9
136.10788	0.9
138.05617	100.0
144.98067	1.1
145.05347	14.8
145.16388	1.0
146.06139	36.3
147.03247	1.1
148.03978	1.3
149.04807	4.5
150.05576	1.3
162.05620	1.8
163.06361	9.3
164.07196	42.2
166.05098	4.6
173.07185	1.2
176.03563	1.5
177.04333	7.1
194.04538	11.3
195.05379	15.3
196.06163	9.0
198.09325	1.6
241.09761	4.0
243.19601	1.1
244.09723	1.9
259.10889	9.4
261.12463	4.3
267.11389	1.9
273.12390	4.5
285.12485	18.2
297.41586	0.9
303.13541	56.2
306.26331	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	303.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97092	1.3
55.45169	1.4
59.34774	1.6
70.84960	1.3
92.56902	1.5
95.99220	1.8
96.04573	12.2
110.06147	4.0
111.78577	1.7
118.06697	1.8
120.04520	2.0
121.05342	3.1
122.06125	24.3
123.03274	8.1
135.06946	2.5
136.03967	1.6
136.07718	3.0
138.05618	100.0
144.04576	3.0
145.05324	17.9
146.05078	2.9
146.06148	46.8
147.03261	3.3
149.04816	8.5
162.05644	3.5
163.06366	15.7
164.07199	50.4
166.05083	6.0
176.03526	2.2
177.04323	7.8
181.03738	2.1
194.04614	10.4
195.05409	29.6
196.06145	8.0
225.06750	2.0
229.06201	2.5
230.45703	1.8
244.09854	2.6
255.11368	2.9
259.10913	13.0
261.12503	2.6
267.11292	3.9
273.12390	14.6
285.12485	44.6
286.74158	1.9
291.87604	1.8
303.13550	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2022
Annotation	Koninginin G
Peak:m/z	Relative Intensity
50.17427	0.3
57.03456	5.6
58.40008	0.4
59.01398	1.8
61.98838	0.5
69.03491	0.5
69.87020	0.4
75.17931	0.4
83.05042	0.9
85.06625	1.9
88.46558	0.4
95.05032	0.7
97.06596	9.4
99.08228	0.8
111.08160	4.0
113.06107	1.7
113.09761	2.0
117.37406	0.4
123.08176	5.2
125.09726	55.5
127.11304	0.5
128.37874	0.4
131.07143	4.5
132.17549	0.4
139.11330	1.8
143.10829	1.5
169.08719	0.9
173.08218	1.7
187.09778	30.3
187.68114	0.5
211.20615	0.5
221.19157	46.4
222.19589	0.6
229.08742	0.8
237.18666	1.6
239.16501	0.6
239.20177	4.9
257.21304	2.7
265.18137	24.9
283.15985	1.1
283.19177	23.7
301.16663	25.3
301.20279	100.0
302.20660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45124	4.2
57.03461	9.3
59.01401	29.1
60.01815	4.3
61.98849	5.9
64.55842	3.5
83.05047	26.6
97.06594	4.8
99.08160	5.9
103.16870	4.2
109.06597	6.1
111.08168	91.8
113.09743	7.1
125.09724	42.5
127.07610	6.1
143.10765	37.8
145.08728	29.4
147.89839	4.7
159.10291	95.0
165.01663	4.3
173.11835	99.2
301.09781	21.3
301.20245	100.0
301.23911	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2176
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
54.24311	0.9
54.97058	0.9
59.01396	1.0
84.47815	1.1
96.00317	1.2
133.91057	1.0
136.14380	1.1
138.52444	1.1
138.86880	1.2
139.00246	1.3
139.59619	1.1
180.65253	1.1
301.21780	100.0
309.44394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.8
59.01393	5.2
59.74414	0.9
61.98840	1.8
85.06613	1.4
92.15500	1.0
95.05030	5.5
97.06583	31.8
97.07191	1.2
113.06151	1.6
113.09746	1.9
115.90086	1.0
123.08163	7.6
125.09724	100.0
131.07153	4.4
143.10808	1.3
159.06604	4.2
159.10265	8.2
169.08633	1.5
187.09773	58.4
203.39005	1.1
221.19130	34.8
239.16498	1.2
239.20216	5.1
265.18112	18.2
283.16098	2.1
283.19159	22.7
301.16626	49.6
301.20273	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Viridamine
Peak:m/z	Relative Intensity
64.83820	1.3
82.11334	1.2
82.34887	1.2
88.35139	1.3
104.23597	1.3
134.31721	1.3
134.95117	1.3
134.99400	6.1
136.97357	2.7
161.06404	9.3
174.25412	1.6
203.05804	2.3
217.07248	100.0
236.76772	1.4
285.13522	43.3
301.16632	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28006	0.4
59.01385	0.5
59.14757	0.4
60.60118	0.3
63.58923	0.3
67.83709	0.4
70.19640	0.4
80.05060	4.8
94.06635	0.6
95.03726	0.5
96.08183	0.6
96.72842	0.4
106.06636	5.5
108.04563	31.2
120.04587	0.7
121.05354	5.9
122.06117	1.6
124.07675	15.5
136.07684	72.3
139.81674	0.4
150.05624	3.2
165.04254	0.5
168.06679	1.0
213.06735	0.6
213.13976	1.0
214.12292	0.6
224.09441	0.8
227.08238	0.6
228.09076	1.7
239.11928	2.9
242.10629	1.8
257.12994	100.0
258.13281	0.4
301.11969	9.4
314.15222	0.4
317.26559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.16
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
52.63311	0.5
52.70182	0.5
59.01380	1.1
61.98826	0.9
62.86597	0.5
63.17469	0.6
78.65676	0.5
92.10781	1.3
102.46494	0.6
115.04695	0.6
144.50307	0.6
174.26089	0.5
217.07292	1.1
228.40688	0.9
271.11301	17.5
286.13672	67.6
287.14087	1.1
301.16031	100.0
301.26807	2.7
302.16235	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	301.1601
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
51.37778	0.4
54.54869	0.3
59.01386	0.5
60.47214	0.3
108.89693	0.3
113.05048	0.4
117.31827	0.4
252.31041	0.5
286.13651	2.0
301.16019	100.0
302.16412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
54.02798	0.3
54.05861	0.2
59.01393	1.9
123.57946	0.3
130.35039	0.3
174.99245	0.6
211.33209	0.3
217.00323	0.7
283.82025	0.3
284.34723	0.4
299.20190	100.0
300.20547	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	299.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.5
61.98837	1.6
72.61288	0.9
100.88285	1.3
110.68482	1.2
116.92844	6.5
127.11266	1.6
143.10788	100.0
144.23637	1.3
153.97493	1.4
155.10822	2.2
157.98637	1.4
171.60599	1.2
173.11836	39.9
173.13326	1.6
174.99268	4.8
217.00342	15.4
226.96561	1.3
299.22339	20.7
299.25937	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	299.2596
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.63990	0.4
59.01389	11.8
60.37894	0.4
61.92563	0.4
72.90904	0.4
74.89017	0.5
84.94870	0.5
85.16642	0.5
98.99423	0.5
114.89102	0.5
116.92880	2.1
141.87703	0.5
144.41649	0.5
174.99304	4.0
217.00343	9.7
243.32367	0.6
253.25432	5.1
281.24905	1.0
297.24503	1.9
299.25970	100.0
300.26340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63990	0.4
59.01389	11.8
60.37894	0.4
61.92563	0.4
72.90904	0.4
74.89017	0.5
84.94870	0.5
85.16642	0.5
98.99423	0.5
114.89102	0.5
116.92880	2.1
141.87703	0.5
144.41649	0.5
174.99304	4.0
217.00343	9.7
243.32367	0.6
253.25432	5.1
281.24905	1.0
297.24503	1.9
299.25970	100.0
300.26340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.25734	0.5
66.93452	0.5
87.98390	0.5
90.97160	0.5
92.10136	0.7
125.09664	0.9
132.98193	3.5
171.10274	1.1
174.97726	0.8
174.99252	36.3
217.00331	83.8
248.70917	0.5
257.72815	0.6
299.18661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
59.01372	0.5
61.99134	0.3
65.03961	0.6
66.86976	0.3
69.64943	0.3
71.01384	2.3
72.18146	0.4
73.02935	0.6
74.67310	0.3
85.02962	0.7
91.82092	0.3
92.10773	1.4
93.03451	91.1
101.02425	0.7
105.32938	0.3
113.02447	0.5
125.34290	0.3
135.29810	0.3
137.02441	100.0
138.02756	0.6
155.04385	0.4
257.39124	0.3
299.07822	1.6
306.70264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47574	2.4
53.77239	2.1
59.01386	28.7
63.24555	2.3
67.05355	2.1
67.40906	2.1
74.99123	2.8
93.03456	100.0
93.03996	4.4
95.76790	2.5
96.96041	16.5
105.59447	3.7
131.34125	2.9
137.02443	72.5
149.96458	3.0
157.90399	2.4
174.99251	5.9
217.00351	17.8
274.28113	3.1
299.08157	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	297.244
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.97555	0.6
56.06023	0.5
59.01414	1.0
63.13906	0.5
69.59417	0.6
82.91883	0.6
87.55211	0.6
116.92847	1.4
141.12898	1.4
155.10788	17.8
183.01263	0.6
201.92188	0.7
279.23346	19.0
295.22617	0.8
297.24393	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.86357	0.2
59.01389	1.2
59.23828	0.2
60.57660	0.2
61.19561	0.3
64.70919	0.3
64.88688	0.2
89.56483	0.3
94.76264	0.3
116.92847	0.4
121.63460	0.3
128.33786	0.3
170.70808	0.3
183.01057	0.3
224.14526	0.3
249.80855	0.3
251.23854	1.4
269.08347	0.3
279.23267	0.6
295.22839	0.6
297.24402	100.0
298.24777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.8
61.98855	2.1
70.55661	0.8
71.01397	9.6
71.05021	10.9
88.04049	90.2
93.03468	8.2
96.96016	73.3
98.70962	0.9
99.04523	1.5
105.75256	1.2
116.07142	1.9
124.85879	0.9
134.03748	2.0
137.02484	5.2
146.08255	44.0
147.59550	1.1
150.67343	0.9
181.01814	1.9
212.80112	1.1
217.00444	1.2
218.08301	1.4
218.10387	34.6
222.16327	1.0
235.11807	1.8
298.06082	100.0
306.17108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.7
59.48638	0.9
74.04419	1.2
84.28771	1.4
90.40753	1.2
116.92858	1.7
127.11291	1.5
139.11293	5.4
141.09225	100.0
151.42317	1.2
155.10812	2.7
158.32491	1.1
169.12341	2.3
173.11833	45.2
183.13864	4.5
279.23383	12.9
297.15469	2.3
297.20734	24.4
297.24347	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45826	0.4
59.01398	2.6
59.42501	0.4
60.71086	0.4
70.79380	0.5
86.79502	0.5
92.10731	0.5
116.92877	2.8
116.97224	0.5
125.09747	0.6
127.11274	2.4
153.12846	0.8
171.10269	13.6
183.01251	0.7
279.23294	15.8
295.22812	0.7
297.15326	2.0
297.24380	100.0
298.25015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.56477	0.7
56.82008	0.7
59.01398	0.8
63.28214	0.7
64.34651	0.7
80.10936	1.0
93.20463	0.8
171.10295	40.3
215.46454	0.8
277.18768	1.8
277.21786	57.3
295.22830	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94456	0.4
57.03445	0.5
57.26179	0.4
57.55493	0.4
59.01392	1.9
72.73197	0.5
75.24281	0.4
86.85568	0.4
104.62685	0.5
125.09714	5.0
139.28970	0.4
141.12852	0.9
151.11295	1.1
176.81654	0.5
207.02696	0.6
251.23817	2.7
295.22818	100.0
315.14355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
59.01384	100.0
65.45348	0.8
65.88997	1.0
71.01382	24.5
72.99319	5.9
73.02958	4.6
82.31618	0.8
83.01384	2.2
85.02950	8.5
86.04307	0.7
89.02444	27.7
92.10205	1.4
95.01379	1.0
99.00864	1.4
101.02444	16.2
102.80181	0.9
109.02602	1.0
113.02449	9.6
119.03478	8.3
122.67376	1.0
126.04269	0.8
130.70972	0.8
135.06670	7.5
143.03557	1.2
144.20052	1.0
161.04547	8.8
179.05661	6.5
220.80219	0.9
233.28581	0.9
237.09795	11.5
270.42792	1.0
297.11932	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	295.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53831	0.9
55.11225	0.9
55.12154	0.8
58.00591	1.9
59.01387	100.0
60.13055	1.1
65.40486	0.9
69.49290	1.0
71.01385	35.3
72.99314	2.0
73.02967	1.4
79.48693	0.9
83.01378	1.4
85.02950	8.6
87.00887	1.4
89.02450	45.2
89.03004	1.7
95.01404	5.0
101.02441	21.6
103.00366	1.2
113.02477	14.4
119.03516	20.5
119.05030	11.2
143.03532	1.2
149.00879	4.6
160.30402	1.5
163.04068	13.0
179.05582	1.5
295.10376	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02143	1.0
57.03470	1.7
59.01399	7.7
61.98857	2.4
71.44610	1.1
92.10824	2.5
98.95599	2.8
101.53680	1.3
115.75063	1.2
116.92847	1.8
138.67738	1.3
166.35909	1.5
183.13957	1.7
195.13890	11.9
206.87587	1.3
213.18474	1.6
226.57814	1.2
277.21793	16.1
295.22809	100.0
297.35349	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	295.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
59.01390	73.5
71.01387	34.1
71.05023	24.7
73.02954	6.7
76.48625	1.4
81.03468	1.4
83.01408	3.0
85.02964	10.1
87.00896	8.1
87.04517	3.1
88.98813	14.5
89.02450	67.1
89.03008	2.5
93.18069	1.3
95.01418	1.7
96.33363	1.3
96.98531	1.2
101.02434	14.1
103.00396	2.8
103.73039	1.4
105.26283	1.4
112.98840	1.8
113.02471	12.0
115.04023	41.2
119.03508	7.5
119.05028	9.7
120.99704	2.2
131.03517	2.5
133.05080	27.2
137.09164	1.4
143.03609	1.6
149.00934	3.2
149.17581	1.3
150.07191	1.4
151.64166	1.7
161.04668	1.7
163.04008	8.5
206.56569	1.6
251.07739	21.8
267.16263	1.7
295.10385	100.0
299.46497	1.7
303.39511	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	295.046
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
59.01388	28.9
67.84760	0.8
71.01383	6.5
72.99332	5.0
74.04134	0.7
87.00873	15.0
88.98811	2.8
89.02456	3.4
90.98576	0.9
96.96016	1.2
103.00379	22.0
105.31540	0.8
107.92588	0.7
112.98831	6.9
115.00361	8.3
119.05030	89.4
133.01451	1.5
149.00940	19.8
163.04030	100.0
177.98199	0.8
218.76405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70940	0.4
57.03446	0.4
59.01382	2.3
60.42941	0.5
60.99305	0.6
67.01900	7.8
68.48804	0.5
69.03465	0.5
71.01381	0.7
71.77949	0.4
72.99307	5.8
77.84691	0.5
83.01385	4.6
85.02953	19.3
87.00888	4.1
89.93138	0.5
92.10179	1.0
93.03453	12.9
96.96009	3.9
99.00868	2.1
101.02459	2.1
111.00886	100.0
111.04514	2.6
115.77499	0.6
119.05043	4.3
121.02949	11.4
129.01921	3.0
129.63373	0.5
135.04547	0.6
149.00876	0.7
154.99879	13.0
163.04031	5.2
173.00922	17.8
173.04550	6.4
222.06738	0.5
238.59471	0.6
280.05743	0.6
295.08347	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	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82617	1.7
62.13126	1.3
63.46349	1.4
63.52528	1.3
69.06264	1.4
85.36315	1.5
92.13982	1.9
96.96011	25.5
97.32867	1.5
97.38971	1.6
125.09762	2.9
149.09756	2.3
185.11861	7.0
221.15485	6.5
293.17926	24.7
293.21262	100.0
303.16412	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59027	0.8
53.60820	0.9
54.56123	0.8
57.03453	4.8
59.01390	4.9
63.00841	1.0
64.07936	1.1
85.90069	1.1
99.92925	1.1
113.09731	20.5
120.22208	1.1
121.10236	7.5
139.11362	2.0
167.10797	1.9
171.10271	19.4
183.10233	1.6
195.13875	2.0
198.63217	1.5
220.14783	2.5
221.15475	6.6
233.38342	1.1
236.10553	1.8
239.94943	1.3
249.22348	1.6
275.20227	28.1
293.04416	1.1
293.21280	100.0
294.45172	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	294.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15464	1.3
59.01389	3.7
62.05139	1.7
66.75814	1.8
68.99841	2.0
69.36428	1.6
71.01382	2.8
74.02475	42.8
82.02985	30.1
84.04552	36.5
86.02498	1.8
96.00923	2.0
98.02483	7.7
99.00900	8.5
100.04040	2.7
110.02477	43.3
119.04995	3.5
120.99715	1.8
121.02963	44.6
128.03522	10.6
154.00244	3.5
154.01482	100.0
163.04015	3.4
172.02541	27.4
197.05655	1.8
233.23001	2.1
244.98683	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	295.0459
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
59.01385	39.3
64.68941	0.8
72.99307	5.8
87.00875	25.4
89.02410	1.0
92.66098	0.9
103.00378	10.3
112.98820	1.2
119.05022	100.0
130.99864	4.7
131.07071	1.2
149.00928	33.5
154.09589	1.1
163.04019	81.9
224.42546	0.9
295.12604	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	293.2126
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
54.14569	1.4
54.18845	1.4
59.01400	2.6
67.57355	1.4
78.36842	1.5
99.72887	2.0
101.15248	1.5
101.92193	1.5
117.68330	1.7
121.10217	28.9
135.95833	1.6
150.21959	1.8
171.10274	59.8
185.11804	2.8
190.40758	1.7
231.21249	3.8
275.20178	100.0
293.21262	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78876	4.6
54.81705	4.5
59.01399	10.9
59.31703	5.2
64.36074	4.7
64.61923	5.6
69.68214	6.2
76.78494	5.7
92.10809	13.9
102.03809	5.2
104.35551	6.0
120.74215	6.5
143.92708	6.6
165.14091	6.6
169.12369	6.3
193.15945	9.4
197.11829	59.9
210.50989	7.1
220.14755	33.2
221.15591	45.1
236.10576	26.7
275.20154	55.9
293.18149	9.9
293.21271	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16417	0.7
55.17562	0.7
57.03733	0.8
58.44381	0.7
59.01404	0.7
61.98855	1.2
66.91929	0.8
71.28876	0.8
96.96014	40.1
99.76379	0.9
116.92841	1.1
139.11308	3.6
142.08574	0.8
153.12862	1.8
171.20300	0.9
191.17986	2.6
193.16011	1.0
220.14751	2.1
221.08797	0.8
221.15439	6.3
236.10594	1.9
247.20795	1.4
257.14359	1.0
293.17953	28.3
293.21283	100.0
302.38107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73931	0.6
53.36572	0.7
54.09825	0.7
58.80878	0.8
59.01395	0.7
61.98823	2.9
64.63733	0.7
68.99622	0.6
73.24246	0.7
79.95738	1.7
92.10144	0.8
92.92776	1.1
96.96012	100.0
97.62041	0.6
104.86362	0.7
115.54096	0.7
116.92863	1.0
131.31001	0.7
163.80141	0.7
199.17134	3.2
207.57182	0.7
220.14714	4.1
221.15550	6.3
236.10440	1.8
293.17953	63.6
306.38849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78876	4.6
54.81705	4.5
59.01399	10.9
59.31703	5.2
64.36074	4.7
64.61923	5.6
69.68214	6.2
76.78494	5.7
92.10809	13.9
102.03809	5.2
104.35551	6.0
120.74215	6.5
143.92708	6.6
165.14091	6.6
169.12369	6.3
193.15945	9.4
197.11829	59.9
210.50989	7.1
220.14755	33.2
221.15591	45.1
236.10576	26.7
275.20154	55.9
293.18149	9.9
293.21271	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	293.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
88.78455	0.8
90.17888	0.8
96.96014	3.1
136.09059	0.9
145.10580	100.0
149.06100	14.8
159.80621	0.8
180.04239	3.3
192.11574	0.9
197.25574	0.8
202.20274	0.8
205.12450	1.0
220.14737	6.0
221.15482	7.2
236.10612	3.7
293.15787	31.5
301.27808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81197	0.2
54.76859	0.2
57.18743	0.2
59.01416	0.2
65.06469	0.2
67.25769	0.2
71.01385	4.2
72.96732	0.2
123.03071	0.2
145.83199	0.2
148.05322	2.1
151.07759	0.2
164.08470	1.7
177.09209	6.3
190.10057	0.3
192.11578	7.5
192.83775	0.2
193.12279	0.3
205.12369	9.8
207.13966	1.1
217.08771	0.5
218.09474	2.4
220.14717	57.9
221.15492	100.0
222.15813	1.1
235.13385	0.5
236.10567	53.0
237.11011	0.4
293.17615	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55992	0.8
56.30372	0.8
57.03446	1.0
58.00604	0.8
59.01386	68.8
61.67315	0.8
66.91676	0.8
69.03466	1.0
71.01382	27.3
72.99310	1.5
83.01408	2.3
85.02934	8.2
85.06590	25.3
85.49171	0.8
89.02442	28.7
95.01390	1.2
101.02431	16.5
113.02445	11.0
113.06086	8.5
115.07646	2.2
119.03466	10.8
127.07648	3.7
131.07129	74.6
132.53247	0.8
141.99927	0.9
173.08183	1.5
183.87845	1.1
292.81958	1.1
293.12451	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	293.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30651	0.7
54.82537	0.9
55.01906	1.2
58.00655	0.9
58.03757	1.0
59.01397	61.8
65.25520	0.7
71.01393	25.4
72.99314	1.5
73.02965	1.0
83.01398	2.0
85.02979	7.1
85.06608	20.0
89.02452	27.9
100.00430	2.2
101.02444	16.9
113.02459	9.3
113.06120	4.7
115.07654	1.1
119.03516	10.4
121.79509	0.8
122.39132	0.9
127.07668	1.5
129.42448	1.1
131.07153	74.9
144.03006	1.0
148.06322	4.2
209.68860	1.0
224.54332	1.0
225.82076	1.0
267.75031	1.1
293.12482	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	291.197
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01376	0.6
66.83580	0.4
73.02946	73.0
78.42287	0.4
116.92828	0.9
121.02931	1.5
126.05524	0.4
141.66302	0.4
142.16284	0.4
209.04501	0.8
278.75571	0.4
289.33856	0.5
291.19705	100.0
292.20096	0.6
308.16141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
58.02988	0.9
59.01384	0.5
61.83186	0.4
62.26437	0.4
66.96773	0.4
120.46249	0.4
124.54939	0.4
150.72375	0.4
156.13947	100.0
200.12987	4.0
292.19284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98391	0.3
54.82404	0.3
55.66668	0.3
57.17199	0.3
57.78272	0.3
58.02985	1.0
59.01377	0.6
72.47777	0.4
93.22026	0.4
122.03363	0.4
156.13959	100.0
200.12973	4.9
230.72391	0.4
254.65289	0.4
292.19379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40250	0.9
55.01900	1.3
57.03462	1.5
58.00618	1.8
59.01395	100.0
60.15574	0.9
60.84216	0.9
62.37693	0.9
71.01393	52.0
71.01781	2.1
71.31111	0.9
71.43813	0.9
72.99335	5.2
77.77449	0.8
83.01418	1.4
85.02968	11.6
87.00906	1.6
89.02454	50.4
95.01394	1.9
101.02448	22.2
111.04539	8.6
113.02480	16.6
113.06083	2.0
119.03500	16.6
120.99673	6.5
129.01961	1.2
129.05614	1.0
143.03526	1.3
179.05597	2.4
291.10916	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.82708	2.1
54.82626	2.0
59.01395	2.1
75.00814	2.0
76.65945	1.9
92.10088	5.3
139.17943	2.0
145.80420	2.4
165.12886	27.5
247.20715	18.3
273.18781	5.3
291.16537	4.7
291.19687	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	291.1969
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.74611	1.3
52.26313	1.4
54.05491	1.8
56.70214	1.4
57.03455	2.1
66.29454	1.6
69.03447	1.7
78.14548	1.7
80.88797	1.9
88.02143	1.7
93.07153	3.0
99.95908	1.8
121.10207	22.8
121.26389	1.5
125.09721	7.5
125.77786	1.6
128.04742	1.7
143.24879	1.9
163.15062	1.8
164.72150	1.6
185.11824	17.6
185.60944	1.8
197.11844	3.0
214.06421	1.8
273.18771	1.9
291.19696	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	290.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12177	0.1
61.98835	100.0
65.41437	0.2
70.91988	0.1
87.22135	0.1
92.10081	0.4
111.17474	0.2
115.12212	0.2
166.25806	0.2
190.13544	0.2
201.88879	0.2
233.01556	0.2
313.21176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68152	0.2
70.06443	0.2
82.14045	0.3
85.02955	2.5
117.03484	4.2
119.05029	100.0
120.05344	0.5
126.99998	0.3
145.02968	12.6
163.04022	59.0
220.42712	0.3
291.08777	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82867	0.2
55.96598	0.3
59.01389	0.7
68.86167	0.2
71.01392	0.7
74.62350	0.2
75.00890	0.7
85.02963	1.2
92.10155	0.3
93.03444	0.4
108.74936	0.2
113.06123	0.2
117.03467	3.0
119.05031	100.0
120.05394	0.3
120.99615	0.3
121.02968	1.4
129.01888	0.3
145.02948	4.5
163.04027	60.3
164.04291	0.3
177.04060	0.7
195.05045	0.3
291.08707	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	289.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06556	0.1
57.03466	0.3
59.01385	1.5
67.01901	0.2
71.01384	1.8
73.02936	0.2
78.95906	10.5
80.18839	0.2
81.03480	0.4
83.05058	0.3
85.02958	10.7
87.00874	2.3
88.06120	0.2
93.03468	3.1
96.96022	10.6
96.96977	20.1
99.00870	0.2
99.04530	0.3
109.02979	1.1
111.04539	1.6
112.98808	0.2
115.53497	0.2
124.98811	0.4
127.04025	3.3
129.86487	0.2
142.99872	4.6
155.03447	0.2
171.03004	0.8
173.00928	2.5
173.04521	1.6
191.05652	100.0
192.06036	0.2
206.11580	0.2
234.92966	0.2
270.98599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82518	0.7
59.01398	5.7
69.03480	4.5
69.34884	1.0
71.01367	1.1
71.05022	1.7
72.99307	40.1
85.02942	15.8
88.18645	1.0
88.23035	0.9
90.30624	1.0
97.02945	61.0
98.30882	1.1
115.04012	30.8
115.04762	1.4
129.09224	36.3
131.03506	23.8
141.01944	30.7
159.03003	100.0
177.04063	26.9
184.16014	1.3
289.13046	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	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.43290	0.7
57.99748	0.7
59.01387	12.2
60.63460	0.6
60.89203	0.6
61.98845	1.4
71.57545	0.7
74.47974	0.8
74.79610	0.6
74.99150	0.6
78.95916	3.5
83.05030	0.8
92.10816	1.6
92.59691	0.6
97.06565	0.8
125.09705	1.0
125.85390	0.6
138.15294	0.7
139.11290	2.7
155.14420	3.3
174.99234	2.7
185.11888	4.8
202.98790	3.1
203.02336	3.8
239.20229	1.1
265.18134	0.9
267.16077	1.0
267.19553	1.1
285.20740	100.0
286.21143	0.7
296.56082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
50.05499	0.5
50.24762	0.6
51.47590	0.5
56.90026	0.5
58.09961	0.5
59.01394	4.8
78.95899	0.8
92.10114	1.3
92.92915	0.6
108.34933	0.6
114.03223	0.6
121.56886	0.7
133.58653	0.6
152.16623	0.6
165.98407	0.6
170.28070	0.7
223.20700	81.3
241.21771	1.2
267.19678	41.7
285.20737	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	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.51258	0.4
50.81493	0.5
58.44418	0.6
59.51292	0.5
84.19176	0.6
99.08181	2.3
129.09280	0.9
141.12871	3.5
195.79515	0.7
206.33842	0.6
223.69232	0.8
241.21759	0.8
269.21170	3.0
285.20770	2.6
287.22308	100.0
288.22662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82259	0.1
55.10756	0.1
60.25140	0.1
63.45676	0.2
71.01389	0.9
78.95905	4.4
79.95741	1.4
85.02955	1.6
87.00878	1.5
96.96010	100.0
96.96913	9.3
99.00858	0.2
111.00888	3.7
113.92574	0.2
115.00371	0.7
124.98843	0.3
142.99852	2.1
157.54343	0.2
168.04091	0.2
173.00920	1.7
191.01988	3.3
191.05650	2.5
197.55621	0.2
198.65884	0.2
250.66977	0.2
259.71506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27601	0.7
59.01391	22.9
59.23116	1.0
71.01402	1.0
78.78725	0.9
81.16216	0.9
85.15305	0.9
89.02414	1.0
92.10080	1.8
104.46181	1.2
105.97553	1.0
106.26862	0.9
113.83581	1.1
119.05039	83.5
119.15836	0.9
120.99665	100.0
121.23490	0.8
163.04103	8.3
201.04613	1.0
225.16205	2.0
285.04062	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	285.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80996	0.3
59.01387	100.0
71.52809	0.3
80.84956	0.3
81.03472	0.8
81.17670	0.4
83.05027	6.5
96.01890	0.3
119.05038	1.9
120.99662	1.7
162.12061	0.3
179.31462	0.5
207.15002	1.5
225.13963	0.7
225.16136	15.2
285.18033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.4
61.98838	3.0
69.03466	2.0
69.35851	1.1
78.95918	6.7
80.86745	1.1
83.05053	2.3
84.21952	1.2
88.87518	1.1
97.06580	2.4
103.72451	1.1
111.08190	2.1
117.87080	1.2
123.08160	1.8
125.09708	15.3
131.07135	1.5
136.00340	1.2
143.07166	1.4
157.08771	2.1
171.10281	22.2
174.99283	2.5
179.04034	1.3
187.09674	2.0
202.98862	2.3
203.02466	1.8
267.19711	5.1
285.04129	2.1
285.17245	10.8
285.20743	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	283.086
Annotation	Psilocybin
Peak:m/z	Relative Intensity
53.86891	0.3
57.03471	1.2
58.99594	0.4
59.01384	0.9
62.89339	0.3
68.90109	0.3
71.05033	1.9
79.95731	1.4
96.96016	100.0
97.06617	0.5
99.08142	0.4
102.34684	0.3
102.63800	0.3
102.98586	0.5
121.02954	4.0
127.11294	1.7
137.09755	0.7
139.11293	2.9
155.10803	2.4
157.12341	13.9
185.11850	4.6
202.40413	0.4
203.12927	47.4
221.08571	2.8
237.08046	4.1
243.66028	0.4
265.07520	7.8
283.08594	45.4
283.26514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
54.82716	0.6
59.01386	8.3
61.98835	0.9
65.19781	0.5
77.17181	0.5
92.10814	1.0
107.05033	98.3
118.96928	0.6
121.02962	1.0
163.11296	100.0
164.11450	0.6
168.86359	0.5
176.54137	0.6
201.02563	3.8
248.10112	0.6
259.21332	0.5
265.21826	0.7
283.17072	64.4
283.22882	9.7
283.26471	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	34.7
59.17546	1.4
79.03053	1.5
103.46709	1.7
109.06599	2.9
118.46114	1.9
127.07651	100.0
127.11376	1.5
139.11284	2.4
155.10825	3.4
163.06071	2.0
173.11836	55.9
201.02629	13.1
223.08136	1.9
283.19229	21.9
283.22360	1.9
283.23480	2.6
283.26419	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60943	0.6
54.82593	0.7
57.03457	5.5
59.01388	21.3
59.99426	0.7
61.98845	0.8
62.50836	0.7
92.10812	1.8
95.05072	1.9
97.06578	18.7
102.73976	0.8
103.02975	0.7
118.96929	1.4
121.02897	0.9
123.08162	16.3
125.09721	100.0
141.09169	3.1
162.88454	0.8
169.08685	4.0
187.09770	3.4
201.02580	12.2
224.45218	0.9
279.37457	0.8
283.19217	27.4
283.26450	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75470	0.5
59.01407	0.5
67.23361	0.5
68.99830	2.7
71.01398	0.5
72.97526	0.6
73.01169	8.0
83.01405	2.9
90.98591	100.0
117.00163	8.9
119.05019	7.2
121.02958	30.3
132.99678	1.3
160.99124	12.1
191.03494	2.2
283.26538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58429	0.5
59.01383	100.0
61.98844	0.7
66.04950	0.5
66.34129	0.5
77.89897	0.4
94.06413	0.5
107.71696	0.5
112.92258	0.6
113.36507	0.5
119.47706	0.5
157.03549	5.8
159.01524	6.9
201.02570	64.5
202.03023	0.5
283.26361	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	283.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99615	25.8
59.01387	15.0
71.01379	12.4
73.02978	1.8
74.99119	0.8
83.01383	1.3
85.02969	7.1
87.00877	9.6
89.02480	5.6
92.10213	1.2
92.65984	0.9
101.02451	7.0
102.98601	100.0
113.02469	5.4
119.03472	0.9
120.90922	0.9
161.04572	4.5
167.06160	0.9
249.06209	6.8
283.04962	23.7
283.26447	2.0
287.84470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0825
Annotation	Benzoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
54.59444	0.3
59.01382	3.5
71.01389	5.3
71.05035	0.8
71.40928	0.3
72.99322	1.7
73.02959	2.0
75.00874	4.1
81.03469	2.9
99.00870	2.5
99.04505	1.6
116.28853	0.4
121.02946	100.0
143.03508	3.2
160.65688	0.4
161.04570	5.9
177.35313	0.3
283.08243	6.3
283.26553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
55.87763	2.6
59.01387	6.2
66.12232	2.7
69.30544	2.7
80.37741	2.7
81.72235	3.0
83.12576	3.7
99.97060	2.9
107.08680	30.5
122.13541	3.9
134.89496	5.4
136.89209	4.6
156.83238	3.1
160.27669	3.0
171.10294	52.4
206.84673	3.5
217.19640	4.7
261.18649	100.0
261.21176	5.6
279.19647	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.59926	1.1
59.93791	1.1
60.89730	1.2
68.74425	1.0
83.94630	1.1
92.23949	1.1
115.79803	1.1
185.96964	1.4
188.59935	1.3
279.23322	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	281.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.9
59.01382	5.5
60.99318	17.5
61.50323	0.3
63.96246	0.3
66.85715	0.3
68.99833	0.5
71.01389	4.8
72.99329	0.8
73.02952	2.1
75.00883	3.5
79.22127	0.4
81.50021	0.3
83.01385	0.6
85.02971	0.6
87.00885	2.0
87.99899	1.5
88.98812	100.0
89.02447	4.8
96.96050	0.6
99.00903	1.9
101.02451	3.3
103.93616	0.4
111.00859	0.7
112.98825	6.7
113.02464	0.5
115.00402	0.9
119.03509	0.5
120.99652	2.8
124.98843	0.4
126.25014	0.4
129.01959	0.9
131.05377	0.8
132.99611	0.9
133.01407	0.6
142.99852	2.1
148.89984	0.4
151.00734	2.1
159.03011	0.8
173.00887	1.8
221.06654	0.7
237.06113	0.7
279.76978	0.3
281.08725	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	282.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83479	0.4
59.01388	0.5
64.12632	0.3
66.00978	0.3
73.27628	0.3
82.04129	1.6
90.72203	0.3
92.65963	0.4
107.03632	6.2
108.02052	8.3
115.85966	0.3
124.89124	0.6
126.03081	10.4
133.01563	38.6
150.04221	100.0
151.02647	0.5
152.05612	0.3
175.06346	0.4
199.37811	0.3
271.86316	0.3
272.62216	0.3
282.08463	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	3.2
59.05307	0.7
61.31248	0.7
68.58842	0.7
83.81066	0.8
87.00882	1.9
96.95999	11.1
96.96503	0.7
113.09744	3.5
120.99664	100.0
147.04588	1.6
191.05733	1.1
191.07504	33.2
262.63208	0.9
279.09116	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.98096	1.1
58.00589	1.6
59.01387	77.1
63.10718	1.4
71.01379	32.1
71.05040	10.4
83.01386	1.7
85.02966	8.8
89.02442	36.0
95.65813	1.6
99.04514	22.9
99.61401	1.3
101.02444	21.5
113.02473	12.9
117.05593	46.0
117.52711	1.1
119.03485	9.7
129.17482	1.2
162.05023	1.4
169.21840	1.4
179.05772	1.4
279.10898	100.0
297.58673	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	279.109
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.36670	1.0
57.03458	1.6
58.00616	1.6
59.01391	100.0
67.73941	1.2
71.01388	45.9
72.99335	1.7
73.02962	1.4
76.19552	1.3
79.99865	1.3
83.01395	2.7
85.02963	9.6
87.00883	2.3
89.02449	50.4
92.10183	1.3
95.01386	6.2
99.04507	9.9
100.62044	1.2
101.02455	22.4
113.02465	18.5
117.05597	7.5
119.03512	20.7
143.03531	2.1
147.48064	1.3
149.04533	1.4
152.53893	1.2
161.04588	1.9
179.05646	5.8
279.10928	36.9
283.44815	1.3
294.82727	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	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.7
62.60884	0.9
71.01382	25.9
72.99298	1.9
84.14584	1.0
87.00881	10.7
89.02454	4.3
92.10127	2.2
112.98846	7.5
114.99580	1.6
115.00378	49.7
119.05030	54.1
130.99829	1.3
133.01445	87.7
147.04549	100.0
150.15518	1.0
163.04037	41.1
167.39305	1.0
222.79694	0.9
237.28194	1.0
252.07555	1.1
279.05151	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	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03165	0.6
58.00605	1.2
59.01384	100.0
59.53074	0.6
63.73784	0.7
64.35483	0.6
72.99324	2.9
74.52506	0.6
78.51802	0.6
87.00874	31.2
87.01366	1.3
95.25278	0.9
103.00371	30.7
112.98814	1.2
130.99857	16.5
147.04535	38.2
243.10684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01100	1.9
57.03449	14.2
59.01382	90.8
72.00401	3.5
72.97544	3.0
74.99031	2.1
83.05038	2.4
85.45354	2.1
87.00873	48.4
90.98589	94.1
95.05027	4.3
97.02941	11.9
97.06613	4.2
103.00360	26.1
109.02975	5.2
109.06599	3.9
111.04521	5.5
119.04994	4.5
119.08611	2.9
121.06577	9.3
122.03745	22.5
123.04497	4.0
124.05299	30.2
125.06075	4.5
125.08665	2.1
129.07448	98.2
130.99803	5.1
135.01225	3.9
135.04527	2.6
137.06055	16.4
137.59061	2.5
139.07652	100.0
145.06923	2.9
147.04539	47.6
147.08505	89.3
163.11240	2.7
165.74661	2.2
168.07919	18.1
169.08524	2.5
171.08163	4.4
173.06392	15.9
175.11295	2.8
179.00220	25.4
187.11301	37.0
190.87563	2.5
191.07425	25.7
205.12329	47.5
217.09030	23.7
235.09975	9.6
235.13493	2.3
238.53122	2.3
245.23534	2.5
261.08160	3.0
263.91980	2.3
279.09048	24.4
279.12366	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	277.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
98.36607	1.0
103.16955	0.9
120.99660	100.0
123.04597	0.8
145.06900	1.3
174.03465	1.2
189.05971	4.4
277.07422	7.7
277.16318	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.85891	1.4
65.27891	1.5
80.26311	1.5
80.99931	1.5
106.66112	1.5
206.61389	1.5
210.68137	1.4
226.66957	1.7
240.39426	1.6
277.21774	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	271.2282
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01881	1.3
56.86818	0.9
58.72696	1.0
64.09519	0.9
65.83188	0.9
70.66747	1.0
74.62460	0.9
92.10848	1.4
97.06015	1.1
107.94640	0.9
109.88102	1.1
154.92134	1.0
223.20767	4.8
225.22273	82.1
271.22827	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	273.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48286	0.2
55.16242	0.2
59.01398	0.3
63.37975	0.2
78.95904	100.0
85.02943	0.5
92.10176	0.2
96.96011	1.0
96.96957	4.6
101.05073	0.3
110.98541	71.9
128.05383	0.2
128.06358	0.2
179.23183	0.2
223.00240	0.2
240.98691	0.3
241.01227	19.6
273.03854	80.7
274.04196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1242
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
52.99364	1.7
53.14489	1.5
61.06123	1.6
66.94595	1.5
91.05530	2.4
92.10126	6.8
101.06052	2.0
118.06632	2.2
125.11119	1.9
128.07195	31.7
167.85997	2.3
232.13441	100.0
268.29935	2.1
276.12527	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	276.9181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91051	0.2
65.15161	0.3
72.60345	0.3
72.99231	0.6
73.26979	0.3
78.95900	8.0
79.95659	0.5
87.10416	0.3
91.01704	0.3
96.96004	22.3
96.96939	2.1
101.29644	0.3
103.16960	0.3
117.00347	0.4
134.96135	0.7
134.97054	3.1
136.94008	100.0
137.94107	1.4
151.92734	0.4
163.91476	0.3
176.98195	0.7
178.94989	8.3
197.42484	0.3
198.90637	6.7
214.93864	0.6
216.90823	87.5
217.91008	0.4
221.11200	0.4
233.00122	0.5
234.91498	23.9
240.91942	2.1
245.86794	0.4
258.92413	7.0
276.92175	0.6
276.99146	1.7
299.64001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76029	0.5
55.00615	0.5
55.77186	0.6
69.90576	0.7
111.50004	0.7
116.36964	0.6
169.82668	0.8
198.89500	0.7
211.20734	1.2
211.92155	0.7
253.21783	0.8
269.21158	0.9
271.22815	100.0
272.22989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
70.62608	0.3
98.51768	0.3
202.84714	0.2
223.20613	0.3
225.22314	5.9
225.53450	0.3
245.21182	0.3
248.35628	0.3
249.70137	0.3
253.21758	2.1
269.21323	0.4
271.22830	100.0
272.23126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
63.02400	11.7
65.00329	28.8
65.00642	1.5
68.99831	1.1
71.00021	0.9
82.85648	0.8
83.01392	19.5
85.02979	1.1
87.89001	0.9
93.03448	9.0
107.01398	37.9
117.03468	1.6
119.05024	100.0
125.02488	1.1
126.07635	0.9
126.14530	0.9
133.02985	1.2
143.05038	1.8
145.02965	5.4
151.00381	87.3
161.06096	2.3
165.01936	2.4
169.01419	1.1
177.01938	5.3
185.06096	6.4
187.04008	12.6
227.07132	5.0
239.12921	2.0
271.06161	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1189
Annotation	Tensyuic acid C
Peak:m/z	Relative Intensity
50.91964	1.0
57.71280	1.0
59.01383	1.5
61.05335	1.0
61.74297	1.0
64.35130	1.1
66.62132	1.0
71.01382	19.7
71.30665	1.0
74.26838	0.9
79.48956	1.1
83.06703	1.1
83.80643	1.0
127.34272	1.2
137.08720	2.0
137.09732	38.9
163.11302	32.9
163.70807	1.1
165.12871	20.6
181.08723	100.0
183.13924	19.3
209.11855	33.4
227.12897	2.7
229.75371	1.4
238.56993	1.2
253.10869	22.0
271.11908	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82499	0.3
58.96981	0.2
59.01389	100.0
60.26152	0.3
61.98840	0.3
62.49084	0.3
81.90977	0.3
205.38269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16000	0.7
53.75254	0.5
53.83583	0.6
57.03455	13.6
59.01391	10.6
60.48505	0.6
80.36074	0.7
82.82562	0.6
124.07471	0.7
137.09731	12.0
152.55446	0.8
155.10789	54.6
163.11311	4.1
165.12845	14.8
181.08713	18.5
181.16008	6.4
207.13972	10.8
225.14995	21.4
241.64517	0.9
251.12952	3.4
269.13986	100.0
270.14310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50506	0.6
64.99861	0.7
66.65205	0.8
71.01398	5.3
73.56161	0.6
78.54029	0.8
78.91908	1.1
78.95905	55.2
84.54029	0.7
92.10109	1.0
96.96039	17.3
96.96958	100.0
98.31933	0.8
108.37297	0.8
112.98830	1.3
120.99610	1.1
124.98785	3.3
142.98822	1.5
142.99881	34.7
145.38362	0.8
150.44641	0.9
153.88214	0.8
173.00900	10.9
186.03566	0.8
196.65794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36587	0.8
57.03458	4.8
59.01387	31.8
60.22482	1.0
61.13160	0.8
61.47357	1.1
71.01382	27.5
72.99316	4.9
73.02980	1.1
75.00864	12.1
79.51495	1.0
83.01411	1.2
85.02956	38.6
87.00884	23.8
89.02454	8.3
93.03485	4.6
95.01425	4.9
99.00901	7.4
99.60014	1.0
101.02454	5.2
103.00381	1.2
105.01958	5.0
113.02468	20.1
117.01978	1.2
124.07080	1.2
127.04000	4.3
131.89732	1.1
153.32925	1.1
189.18486	1.3
191.05644	100.0
193.06039	1.2
195.31375	1.1
249.06291	2.2
257.29367	1.3
266.98621	2.0
267.07272	64.1
288.74139	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	267.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26799	0.3
54.30301	0.3
57.26418	0.4
59.01387	100.0
66.89156	0.4
70.67443	0.4
79.82899	0.4
92.65112	0.4
95.75822	0.4
96.96049	0.5
111.54325	0.4
126.89260	0.4
168.87138	0.4
202.89711	0.4
279.39676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74859	0.3
59.01377	0.7
62.81813	0.3
79.95741	2.3
83.57763	0.4
93.49396	0.3
96.96012	100.0
108.58302	0.3
126.60899	0.4
205.16032	1.3
237.82773	0.4
265.14828	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1809
Annotation	Armatin D
Peak:m/z	Relative Intensity
54.82777	3.4
98.29494	3.4
108.52078	3.3
162.04771	3.3
165.03093	3.3
180.92749	3.2
205.15964	20.5
265.18103	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	265.2176
Annotation	Hydroprene
Peak:m/z	Relative Intensity
50.93283	1.1
54.82289	1.3
55.21967	1.2
57.92620	1.2
59.01408	2.0
60.86320	1.4
96.95996	1.9
105.42107	1.5
105.97825	1.7
110.51347	1.5
116.40434	1.4
136.82578	1.3
205.16006	7.4
258.35413	1.5
265.14612	2.4
265.21750	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	267.0724
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
53.36587	0.8
57.03458	4.8
59.01387	31.8
60.22482	1.0
61.13160	0.8
61.47357	1.1
71.01382	27.5
72.99316	4.9
73.02980	1.1
75.00864	12.1
79.51495	1.0
83.01411	1.2
85.02956	38.6
87.00884	23.8
89.02454	8.3
93.03485	4.6
95.01425	4.9
99.00901	7.4
99.60014	1.0
101.02454	5.2
103.00381	1.2
105.01958	5.0
113.02468	20.1
117.01978	1.2
124.07080	1.2
127.04000	4.3
131.89732	1.1
153.32925	1.1
189.18486	1.3
191.05644	100.0
193.06039	1.2
195.31375	1.1
249.06291	2.2
257.29367	1.3
266.98621	2.0
267.07272	64.1
288.74139	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	265.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31030	0.4
59.01383	18.3
73.98315	8.1
74.99100	2.2
87.00884	3.7
89.04322	2.2
115.05856	6.9
115.07619	0.8
117.03800	100.0
120.99659	7.6
125.39078	0.5
143.07141	0.9
159.04836	1.0
177.05914	32.1
181.28159	0.5
187.69585	0.7
203.07619	0.8
204.08046	0.5
205.05408	17.7
205.15974	0.6
218.24457	0.6
219.97690	0.6
265.07535	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.093
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
50.84475	1.0
55.01908	1.4
57.03462	6.9
58.00607	1.3
59.01387	67.1
66.12155	1.0
71.01390	24.0
73.02946	2.3
85.02957	30.6
87.04530	1.6
89.02449	26.9
92.86367	1.2
95.01436	1.8
101.02462	14.1
103.04016	44.6
105.60662	1.2
113.02461	10.0
119.03501	8.6
122.80092	1.2
136.44002	1.3
205.16089	1.4
257.37540	1.4
265.09335	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26172	0.4
53.09535	0.4
53.30945	0.3
58.11681	0.4
58.36336	0.3
59.01381	1.8
69.81770	0.4
79.95740	2.3
96.96014	100.0
124.93661	0.4
128.69830	0.4
205.15924	2.8
218.63002	0.4
265.14819	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
51.91063	1.3
58.97319	1.3
59.01406	1.4
61.64412	1.3
67.91087	1.2
85.07813	1.7
172.86423	1.4
180.83501	1.4
226.52766	2.0
263.20200	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	265.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	6.8
76.58953	1.0
92.10124	3.5
99.04524	11.2
113.41173	1.2
115.04019	5.1
121.02960	80.3
143.03519	100.0
161.02527	2.1
173.04550	1.2
191.25949	1.2
205.16026	8.2
234.47137	1.2
265.07263	4.8
277.27362	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	263.0597
Annotation	sulfamerazine
Peak:m/z	Relative Intensity
58.80770	0.8
59.01389	82.7
60.47159	0.7
65.18138	0.9
87.00906	4.2
111.04526	9.9
113.04334	12.2
115.02231	4.8
120.99662	2.2
127.77860	1.0
133.03340	4.0
157.03313	31.2
175.04362	100.0
263.06006	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0597
Annotation	sulfamerazine
Peak:m/z	Relative Intensity
53.07403	0.9
57.03465	1.8
57.72483	0.8
59.01383	16.0
62.91943	0.7
70.71648	1.0
75.00886	1.5
85.06609	5.2
87.00867	9.3
92.10778	1.0
92.11484	0.8
98.21742	1.0
99.40117	0.9
102.98613	0.9
113.04317	53.0
115.02249	3.6
116.59734	1.0
131.05396	1.4
131.07117	6.7
133.03355	1.5
157.03297	100.0
169.72278	1.0
175.04350	89.5
245.04803	1.1
263.05972	38.2
264.03726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1293
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
50.24203	1.3
52.28891	1.4
59.01385	4.4
61.81299	1.6
67.56459	1.8
67.63789	1.7
68.33746	1.8
69.28945	2.1
71.01399	3.9
79.05543	2.1
83.05048	4.6
92.10782	6.7
97.02979	5.0
108.05853	4.5
109.02955	7.6
109.06589	3.1
111.04567	11.8
111.08157	2.0
113.06113	8.4
115.89860	1.8
118.64073	2.0
119.08678	9.6
121.06579	2.8
122.03743	30.8
123.04466	2.7
123.08140	9.0
123.86977	2.1
125.06092	26.5
135.08212	4.6
136.05319	29.1
137.06090	10.3
138.06898	36.7
139.07677	41.8
147.04536	11.7
148.05330	22.2
149.06071	3.5
151.07675	89.4
152.04846	4.0
152.08450	45.8
153.09212	7.9
159.11848	3.3
161.09764	4.0
163.07681	18.7
165.06857	2.0
166.06358	2.8
183.13705	2.4
186.10593	3.0
188.08472	2.7
189.09180	10.2
201.12898	37.0
203.10802	44.0
204.11580	85.9
219.13947	100.0
263.12958	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	261.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04434	0.3
57.49504	0.4
58.00595	0.6
58.38920	0.3
59.01386	24.3
67.53674	0.3
71.54047	0.4
72.99317	1.0
74.02755	0.4
78.15121	0.4
79.83955	0.4
84.99326	0.7
87.00874	16.5
92.10811	0.9
92.65670	0.4
103.00375	9.7
112.18723	0.4
112.98819	18.9
129.09219	100.0
130.99895	2.8
149.00887	2.4
149.11513	0.4
171.10298	0.6
171.52687	0.4
261.09802	10.0
279.38382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76063	0.5
57.59230	0.4
57.91105	0.5
58.00608	2.7
59.01385	100.0
64.33896	0.6
71.44781	0.4
72.99302	3.9
73.13800	0.5
77.14288	0.4
87.00877	27.1
103.00375	33.6
103.01061	1.1
106.06654	0.6
106.76900	0.5
112.98824	1.9
129.09224	15.6
129.10184	0.9
130.99864	17.8
146.23659	0.5
149.00888	1.1
158.74736	0.6
164.09956	0.5
187.87408	0.5
214.98251	0.5
223.82175	0.5
261.09860	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	263.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	28.2
88.48535	0.4
91.97905	0.4
94.54497	0.4
103.05556	0.6
115.00377	8.8
119.05093	1.5
130.42972	0.3
131.26283	0.4
147.04532	100.0
148.04947	0.4
231.71843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35169	0.3
53.30084	0.3
59.01395	0.4
80.02679	1.7
80.43523	0.5
81.03472	1.9
83.05038	7.3
84.02163	5.1
86.44260	0.5
93.86098	0.4
95.05014	0.5
96.96014	2.9
125.09721	2.3
134.80844	0.4
135.08168	0.7
138.97055	0.4
163.11290	6.7
165.12819	3.5
181.12329	1.7
191.10762	2.2
209.11867	100.0
227.12944	9.1
234.01300	0.4
252.98145	0.4
259.01465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0078
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
57.32041	1.4
59.01381	2.7
61.98843	2.8
67.98012	1.5
72.56512	1.6
72.99306	21.3
73.95565	1.5
75.00881	7.8
79.95757	9.5
80.96516	2.0
87.00903	2.1
93.03461	39.1
107.05060	3.7
119.05025	66.4
120.99664	2.8
135.04538	44.6
136.94038	1.8
148.03004	1.7
163.04030	58.5
173.02730	2.0
173.24046	1.6
175.27238	1.5
181.05086	100.0
199.00745	15.9
215.00256	10.5
260.92065	1.4
261.00769	96.4
278.44385	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	258.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12682	0.5
54.82604	0.5
56.67903	0.5
59.01406	0.7
78.41653	0.5
80.30755	0.6
84.31795	0.5
99.86576	0.7
99.92612	7.4
116.92871	100.0
133.53351	0.6
156.90880	3.8
176.98067	1.3
198.91972	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	259.0225
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
54.21741	0.7
57.03464	1.8
59.01396	4.9
71.01384	7.7
78.95907	100.0
83.01408	3.6
87.00870	2.1
92.10757	1.2
96.96037	13.0
96.96962	85.0
99.00906	6.7
110.98554	1.4
111.00890	4.9
112.98827	19.1
122.02708	1.0
129.01965	4.0
138.97070	3.4
138.98022	4.1
145.01430	1.2
158.74825	0.9
159.99586	1.1
172.80606	0.9
173.00920	5.6
177.38832	1.0
210.33281	1.0
241.01213	1.9
259.02310	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	256.083
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
50.45513	1.1
55.01881	1.9
59.01389	3.4
59.37933	1.4
60.93726	1.6
68.73354	1.4
69.03466	2.5
71.05035	1.8
71.40025	1.6
72.04545	14.2
76.08407	1.5
82.02991	37.5
83.01408	3.6
83.55221	1.7
84.04591	2.5
90.53307	1.4
93.03443	3.2
98.02475	19.1
98.06135	10.4
100.04049	15.2
110.03674	2.0
111.03277	2.0
111.04508	2.5
112.04044	2.9
112.07683	2.7
120.99582	2.2
121.06585	8.6
126.05614	10.0
126.09258	26.8
128.03610	2.1
128.07182	18.9
138.05540	1.6
139.07616	1.9
140.10808	3.6
148.07684	8.7
150.09286	28.3
154.08760	8.0
161.55815	1.6
166.02797	1.7
167.07211	1.8
168.10318	2.9
182.37216	1.7
184.09769	6.1
187.84145	1.5
194.08223	2.9
196.90195	1.4
210.07767	24.8
212.09326	28.6
219.79936	1.8
228.08803	8.4
256.08307	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	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82964	1.0
58.00611	1.2
59.01386	100.0
60.11652	1.0
65.48692	1.1
72.99314	1.8
85.91676	1.1
87.00874	43.4
87.01362	1.8
98.08132	1.0
102.28378	1.2
103.00369	28.5
121.02948	76.3
130.99857	15.5
146.44772	1.1
226.81683	1.2
234.80994	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	253.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82364	1.3
54.82756	1.6
58.28403	1.3
59.01399	100.0
72.99331	2.1
74.75810	1.6
85.64780	1.1
87.00886	51.1
87.01375	2.3
92.10163	3.6
103.00383	35.6
121.02966	87.1
122.45547	1.2
130.99847	20.0
181.07732	1.2
203.14214	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	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	1.7
59.01388	100.0
66.58264	1.2
71.15583	1.3
72.99328	1.8
81.92422	1.6
87.00888	49.6
98.12073	1.5
103.00381	38.1
121.02956	91.5
130.99878	20.2
195.52896	1.5
253.03487	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	253.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07281	0.6
59.01384	100.0
61.98854	4.9
71.01418	1.1
73.01206	0.9
75.97813	0.6
85.02950	0.9
96.96014	0.9
117.03806	1.6
121.02952	1.5
122.36800	0.8
141.44730	0.7
147.04858	1.5
161.04527	3.1
165.05908	3.0
193.07173	5.9
253.07387	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	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75415	0.8
51.21002	1.0
54.83440	0.8
57.03471	4.6
59.01399	7.0
70.25074	0.9
73.01826	0.9
84.22648	0.9
85.87915	1.0
92.10162	2.1
95.05038	1.6
95.40263	1.0
97.06593	17.1
99.04533	2.0
113.06083	2.1
115.68718	1.2
119.83557	1.0
123.08171	12.3
125.09724	100.0
127.07664	21.7
145.08656	1.5
151.24126	1.0
152.91821	6.0
157.12321	17.8
169.08749	1.4
173.11797	2.3
182.31032	1.1
187.09814	2.3
193.53174	1.0
194.92879	6.5
212.93829	1.7
219.84570	16.5
249.20134	1.1
255.16023	21.1
255.23314	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1704
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.92963	0.1
54.34404	0.1
54.43504	0.1
59.01396	0.2
70.05672	0.1
83.37112	0.2
121.81778	0.2
134.23564	0.1
144.89900	0.2
156.56503	0.2
179.07240	0.2
192.53592	0.2
205.16029	0.3
226.85614	0.2
231.13896	0.8
247.17055	100.0
248.17416	1.6
264.13470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0562
Annotation	MONO(3-CARBOXYPROPYL) PHTHALATE
Peak:m/z	Relative Intensity
52.98627	0.7
57.03460	2.8
60.54067	0.8
85.02953	60.8
101.02437	46.2
118.88248	0.8
121.02948	100.0
129.01939	91.9
148.03821	0.9
161.06140	1.3
179.43889	0.8
251.05629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1656
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
59.01395	6.9
62.19377	3.0
95.21044	2.9
108.88327	3.6
176.37666	3.6
211.28589	3.2
221.78403	3.2
238.99094	3.7
251.16566	100.0
251.18892	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	247.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93230	0.7
58.00615	0.7
58.81823	0.6
59.01385	31.4
63.66580	0.7
66.01219	0.7
72.99307	1.6
84.99328	1.5
86.23650	0.7
87.00871	15.2
88.94200	0.7
95.17953	0.7
103.00386	10.4
112.98811	22.4
115.07652	100.0
130.99825	1.0
132.98238	0.7
149.00945	1.4
149.11076	0.7
186.95680	1.0
223.72043	0.6
247.08273	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	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.2
60.52032	0.5
72.99310	1.0
74.67487	0.5
75.29547	0.5
84.99323	2.2
87.00871	15.3
103.00377	11.2
105.21739	0.6
112.98813	20.1
114.91333	0.5
115.07649	100.0
130.99841	1.4
147.68472	0.5
149.00914	2.2
185.00560	0.5
186.95535	1.1
189.09874	0.6
194.87840	0.7
216.94984	0.6
247.08125	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	243.1241
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.85973	1.3
56.16875	1.5
56.92678	1.3
59.01395	1.6
59.39402	1.6
60.11857	1.5
61.79911	1.4
63.99270	1.5
65.20761	1.8
65.36372	1.5
71.01394	2.5
71.05035	8.4
71.20623	1.4
76.57377	1.8
78.56126	1.9
89.12114	1.6
97.02967	9.3
99.00884	18.3
109.06596	2.0
125.09706	9.2
127.07624	1.9
132.51816	1.5
133.13058	1.5
142.02693	2.0
153.12888	1.8
163.11317	16.1
181.12370	33.3
199.13400	26.6
207.10283	63.4
225.11360	88.0
243.12395	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	245.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66619	0.8
53.72972	0.7
58.00614	1.2
59.01387	100.0
72.99324	7.4
82.71077	0.9
83.83074	0.9
87.00879	28.0
87.01379	1.4
93.87971	1.0
99.94776	0.9
103.00381	31.6
103.01067	1.4
113.06095	1.9
113.84266	0.9
117.70853	1.0
130.99883	14.6
149.00890	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	245.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16267	0.2
62.65852	0.2
71.01382	56.6
72.99306	0.3
92.10161	0.5
100.12624	0.2
113.06899	0.2
114.99545	0.5
115.00372	13.5
129.09216	100.0
130.09575	0.3
133.01422	2.4
178.40868	0.3
179.82430	0.3
201.14055	0.3
209.11873	0.5
245.10365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0175
Annotation	Pyridoxal-5'-phosphate hydrate 
Peak:m/z	Relative Intensity
51.85242	0.5
51.97592	0.4
54.84897	0.4
56.81198	0.4
59.01393	0.9
59.24205	0.4
59.53078	0.4
78.88847	0.5
78.95905	89.1
85.71146	0.6
92.05087	0.6
96.96962	100.0
98.02482	2.2
98.06091	0.6
99.77785	0.6
148.04089	0.7
183.86090	0.6
202.07304	2.2
228.00746	1.9
228.08839	1.0
246.01723	3.4
246.09933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	1.3
59.01413	1.5
61.98829	19.4
62.15235	1.6
65.40910	1.5
71.99730	1.3
82.06647	2.4
90.14895	1.6
100.07711	1.6
109.86646	1.6
159.19673	1.5
170.15532	16.4
181.07222	2.5
182.07567	3.2
198.15027	100.0
226.02702	8.3
242.14090	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	243.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22997	0.2
59.01383	0.2
67.01898	1.0
70.62549	0.2
73.83161	0.2
79.26218	0.2
98.02464	0.3
109.02950	2.2
114.13239	0.2
118.11912	0.3
137.02452	24.7
140.34000	0.2
165.01939	100.0
166.02213	0.5
168.93391	0.3
179.03526	0.5
180.04295	43.4
195.02960	1.3
195.06647	48.7
196.07001	0.4
224.49248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1086
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.26981	0.9
55.01898	0.9
57.03455	1.2
59.01389	5.2
60.37698	1.1
65.02738	1.1
69.03458	2.1
70.34396	0.9
70.44767	1.0
71.01392	5.7
71.05029	4.8
73.02946	0.9
76.55145	0.9
83.05045	1.8
85.02955	1.1
86.81277	1.1
89.02467	5.3
99.07977	1.1
101.02462	4.5
102.08530	1.0
111.40644	1.1
125.09684	2.0
140.19228	1.0
143.36453	1.1
147.39070	1.1
153.12909	4.3
155.92844	1.2
161.09720	1.5
170.99352	1.0
179.10814	5.2
181.07213	19.4
197.11880	100.0
219.23511	1.0
241.10881	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.2
59.01397	2.3
61.98831	100.0
82.02993	20.4
83.01388	2.8
85.01980	2.3
85.06588	8.2
94.02959	2.1
97.02939	2.3
98.02529	2.4
99.00893	2.2
100.04065	3.5
107.05018	20.2
110.06136	3.3
112.04063	15.3
112.07686	81.9
112.98814	2.5
121.24099	2.1
122.06071	2.0
124.04041	4.6
124.07661	10.3
125.06096	4.0
126.09235	2.7
136.07684	15.8
137.06073	4.5
138.05643	3.1
140.07176	25.5
142.99808	2.2
152.07286	2.5
155.07086	2.1
170.08261	12.9
196.06161	21.3
198.07718	34.1
214.07224	13.0
242.06732	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55065	1.1
55.01892	8.3
72.04558	1.4
74.31446	1.0
75.36937	1.1
82.02982	18.3
83.01402	7.8
84.00916	1.6
84.04552	2.9
85.06585	11.9
92.20433	1.1
95.05029	1.2
97.02946	2.1
97.06563	1.4
98.02464	6.3
99.00947	1.8
100.04057	7.2
103.99124	1.0
107.05024	27.1
109.49100	1.1
110.02489	7.6
110.06121	6.5
111.03204	1.4
112.04060	17.1
112.07687	96.4
112.98837	2.1
113.99164	1.7
122.06126	1.6
124.04039	9.3
124.07703	9.2
125.06081	5.2
126.09225	4.7
134.06049	1.7
136.07678	17.3
137.06099	4.8
138.05641	1.6
140.07178	32.6
142.05057	1.5
144.00215	1.2
152.07190	2.0
153.05618	2.7
154.04495	1.5
154.08762	2.1
155.07202	1.5
168.06602	2.3
170.08211	11.1
173.00980	2.8
174.01268	1.6
180.06645	1.3
182.32236	1.2
196.06186	20.0
198.07747	35.2
200.05742	1.8
214.07205	11.8
242.06731	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	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83088	1.5
59.01395	8.3
60.21558	1.2
71.01390	8.5
72.69858	1.3
73.02973	2.5
73.89281	1.3
89.02489	5.8
95.01416	2.3
101.02479	6.5
111.00882	1.9
123.00882	11.2
123.04487	1.6
125.02426	2.0
135.00896	9.7
138.03247	2.2
139.04025	6.5
150.03281	3.0
153.01985	32.0
153.05588	2.6
162.83340	1.5
163.00394	100.0
178.02740	94.6
181.01451	55.9
181.07211	28.8
183.06651	31.2
189.06915	1.5
193.05087	52.2
196.03761	11.1
196.16469	1.6
211.02570	6.7
211.06165	76.6
226.04843	16.8
241.07237	43.2
246.21199	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	241.0873
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
53.73050	1.0
59.01389	13.7
61.66129	1.2
61.98843	1.8
62.78202	1.3
71.01379	14.1
73.02961	6.0
73.81155	1.2
74.55463	1.2
78.75423	1.3
80.96629	1.1
89.02445	13.6
93.03457	100.0
95.01382	2.4
99.90434	1.1
101.02436	13.4
101.66502	1.4
108.02187	2.0
115.70464	1.2
119.84200	1.2
129.82272	1.1
136.01637	2.9
137.02452	65.8
153.17108	1.4
153.29260	1.3
163.06085	1.3
181.07193	46.6
194.92888	1.5
197.15442	1.6
216.29405	1.4
236.87894	1.4
241.08749	41.3
241.21745	1.5
255.77322	1.4
257.35242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01893	3.9
57.03453	19.0
57.43552	1.8
59.01381	14.4
63.00751	1.5
67.01904	9.7
67.93325	1.4
69.03473	7.7
70.96281	1.8
71.01393	3.1
80.02676	2.4
81.03484	10.4
83.01404	3.4
83.05032	26.7
84.02184	8.0
85.02953	100.0
85.03460	3.5
89.02456	2.7
89.38832	1.7
97.02948	37.9
109.06603	4.3
110.03770	4.0
140.28467	1.8
142.02695	3.2
155.10866	3.3
171.10281	25.0
177.12875	12.2
192.51373	1.8
193.12367	8.1
195.13918	7.5
211.13426	2.4
221.11877	72.5
239.12912	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49154	1.2
59.01388	4.9
60.85778	1.2
61.97522	1.1
67.01929	1.2
68.35906	1.2
71.01398	7.2
81.16997	1.5
89.02447	2.6
91.01919	1.3
95.01437	1.6
101.02454	2.0
101.91688	1.2
103.09148	1.3
114.15384	1.4
123.00903	11.3
125.02442	1.5
128.94141	1.4
132.34447	1.2
135.00888	8.3
138.03235	2.9
139.00386	2.2
139.03998	5.7
150.03218	5.6
153.01962	31.8
153.05563	2.0
163.00389	99.7
165.01985	1.6
178.02737	100.0
179.03421	2.7
181.01447	53.3
181.07172	17.1
183.06647	32.1
193.05086	50.1
196.03818	11.5
211.02553	5.5
211.06163	83.7
217.11401	1.3
226.04898	17.2
234.81119	1.3
241.07219	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59800	0.7
57.03459	0.9
58.00599	1.3
58.16574	0.8
59.01387	100.0
63.35946	0.7
69.03455	0.9
71.01385	35.6
71.01774	1.2
72.99334	0.9
81.03491	0.8
83.01418	1.1
85.02956	8.4
87.00905	4.7
89.02452	44.0
95.08791	0.7
101.02464	10.9
108.91206	0.8
109.29373	0.9
113.02448	9.4
113.09899	0.8
119.03522	11.0
120.06503	0.8
122.99267	0.9
131.03497	0.8
136.94409	0.9
151.04390	1.9
161.04576	6.6
179.05637	19.7
221.06554	3.1
239.07854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	8.0
57.03462	14.5
59.01390	18.7
67.01914	12.3
69.03477	8.5
71.01413	9.3
81.03488	8.7
83.01393	4.6
83.05038	23.1
84.02205	13.9
84.47816	1.7
85.02969	100.0
85.68241	1.8
89.02467	9.9
92.10122	5.2
92.15635	1.8
96.95992	2.1
97.02950	30.4
109.06615	3.5
110.03757	3.1
155.10768	3.6
171.10295	21.5
177.12862	9.5
179.05623	4.0
193.12389	10.1
195.13965	3.9
203.03403	1.8
211.13287	2.3
212.39581	1.9
212.98981	2.0
221.11864	50.3
232.15820	1.9
239.12923	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88253	0.3
52.46462	0.3
57.76729	0.3
71.01387	19.8
71.01776	0.6
74.81322	0.4
92.10115	1.2
100.85003	0.4
115.00372	8.7
121.02953	100.0
122.03292	0.4
125.00043	0.3
147.14615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99614	79.8
59.01390	24.3
63.96236	1.2
71.01387	10.2
72.99330	3.3
73.01175	48.6
73.02972	0.8
73.98318	0.8
74.99097	24.5
85.02915	0.8
87.00887	13.3
87.04516	0.8
89.00669	11.5
89.02441	7.8
99.00876	1.1
101.02431	1.4
103.02250	5.5
103.60043	0.7
113.02470	1.0
115.00377	3.0
117.05600	0.8
119.03511	0.9
120.99662	0.8
122.06158	1.5
122.99238	5.5
133.03302	23.7
135.98386	0.9
136.99149	10.9
142.62227	0.7
147.01212	1.4
151.04367	100.0
161.04626	1.0
167.08279	1.0
169.98488	0.6
179.05634	6.1
195.08287	0.7
221.04903	1.4
239.05975	64.9
240.06378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54567	1.0
58.00615	1.8
58.39228	1.1
58.99622	5.0
59.01394	100.0
63.55398	1.2
67.65370	1.0
71.01391	41.2
72.78050	1.2
73.02958	1.1
79.95939	1.3
83.01408	1.9
85.02957	8.8
85.88432	1.1
86.30404	1.0
87.00877	2.6
89.02451	43.4
90.14323	1.0
92.10741	2.2
95.01400	2.0
101.02457	13.9
103.12109	1.1
113.02460	11.3
117.56231	1.2
119.03526	13.6
131.03441	2.0
143.03519	2.1
161.04526	4.9
179.05646	16.7
221.06619	2.5
239.07741	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	234.9759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77655	0.5
59.01385	100.0
61.01820	0.8
61.98853	0.6
89.92596	0.9
90.93389	0.6
99.72626	0.6
106.36732	0.5
106.92853	2.3
117.11359	0.5
148.93896	4.7
174.95532	0.8
190.98637	2.7
207.95320	4.3
234.97536	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	234.9758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98848	1.2
69.05569	0.7
76.36314	0.7
92.10099	1.6
106.92889	0.8
118.52042	0.7
148.93877	5.2
167.90738	0.8
170.79083	0.8
174.95450	1.0
184.13377	0.8
190.98517	1.1
207.95212	5.1
211.14020	0.8
217.37627	0.8
234.97580	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	236.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44306	0.6
55.01902	4.1
56.43491	0.6
58.03012	0.7
59.01411	0.8
61.98837	29.3
62.05144	0.6
62.53680	0.6
69.37392	0.7
71.01380	5.1
76.43134	0.6
83.01389	19.2
86.02500	1.1
94.02998	4.0
95.01400	0.8
104.37750	0.6
105.00190	1.1
107.03777	13.4
108.04561	100.0
109.04880	0.7
112.98811	1.4
115.00374	8.0
118.03021	1.6
120.99655	13.1
122.02480	5.9
122.14759	0.7
134.02498	4.0
134.04720	0.7
136.04054	1.6
142.99893	0.7
148.04251	1.0
162.05537	1.4
164.07175	45.6
174.05630	1.7
190.05145	3.0
192.06689	50.9
218.04552	1.0
236.05652	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49306	0.3
54.82703	0.2
83.01406	2.7
87.00913	0.4
99.00871	0.5
105.54337	0.3
107.03785	1.7
108.04563	100.0
109.04919	0.4
115.00394	0.6
118.03016	3.3
120.99643	1.5
127.00398	0.6
127.23215	0.3
143.19379	0.3
146.06100	1.9
164.07126	0.6
170.93880	0.3
174.05618	4.6
190.05138	4.2
192.06699	6.8
218.04654	4.6
236.05661	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	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97131	0.8
58.11277	0.9
59.01391	4.5
61.98836	1.4
74.69827	0.9
79.87762	0.9
135.73920	0.9
148.05324	13.2
149.09683	1.1
176.08383	1.7
177.09224	71.5
179.69141	1.1
181.94322	1.2
190.10051	1.9
192.11589	47.8
217.08658	2.0
218.09468	8.9
229.96790	1.2
236.10576	100.0
258.08539	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	237.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.8
61.38074	0.7
61.98824	0.9
65.67000	0.7
71.01385	37.3
73.01164	0.9
74.99107	1.3
75.00879	1.5
83.01379	0.9
85.02986	1.6
87.00873	9.2
87.02760	4.9
89.02403	1.4
90.98592	12.3
93.53070	0.8
105.00169	12.7
105.03812	8.2
108.04589	5.3
109.04924	5.9
115.00378	71.0
120.99660	100.0
129.01971	4.0
135.01239	3.9
148.99174	9.1
149.02771	7.1
161.10370	0.8
179.00211	2.0
237.00717	13.5
237.04407	4.2
243.61086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	27.3
71.01400	0.5
71.58939	0.4
74.30801	0.4
74.99077	6.8
75.00893	0.4
91.02232	0.6
93.00138	6.0
93.03456	3.6
97.90240	0.4
108.08015	0.5
111.85176	0.4
134.99411	9.9
136.97319	3.3
149.00974	80.8
150.00975	0.5
150.98911	2.0
152.96831	0.4
159.08476	3.2
161.06413	5.7
173.04597	2.9
188.98564	1.5
190.98796	0.6
201.04095	0.5
215.05569	0.6
217.07243	100.0
218.07507	0.8
232.97565	0.8
233.10370	78.0
234.10458	0.6
235.08398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1501
Annotation	Huperzine W
Peak:m/z	Relative Intensity
50.53974	0.7
59.01385	10.0
59.32475	0.6
61.98833	0.8
67.36123	0.6
78.93734	0.6
86.41656	0.7
117.51292	0.7
148.85558	0.7
218.11925	1.5
234.15031	100.0
235.15303	1.0
251.11656	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.4
57.03458	12.4
57.14806	0.8
59.01387	100.0
60.68935	1.0
67.01907	7.6
68.99809	2.1
71.01385	74.6
72.99331	1.3
73.02940	10.8
75.00901	1.1
75.70438	0.9
83.01395	16.0
85.02960	9.7
87.00880	2.3
93.03465	2.2
95.54945	1.0
99.00887	41.2
99.92600	1.7
100.24715	1.0
111.00886	22.6
112.98820	9.3
115.00388	4.6
115.92064	4.3
117.05586	16.3
129.01944	20.6
135.02971	1.4
137.68712	1.0
144.84415	1.1
173.00909	5.2
173.04596	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	231.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.0
64.34926	0.7
71.01383	62.4
87.92524	0.7
95.98474	0.9
115.00375	13.8
115.07651	100.0
122.03725	1.1
126.41045	0.7
133.01425	1.5
152.02414	1.3
152.03542	20.3
169.12352	3.1
171.10297	9.3
207.95485	0.8
213.11237	1.2
231.12405	4.9
231.99280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00333	1.1
55.01898	4.4
57.03462	21.6
57.54004	0.9
59.01390	100.0
64.69966	1.2
67.01901	9.0
67.02224	1.0
68.99835	1.1
71.01387	85.5
73.02959	15.2
83.01396	17.1
84.93907	1.3
85.02948	10.1
87.00864	3.5
92.10214	1.3
96.95998	10.8
99.00882	39.8
99.92607	9.4
100.93388	4.9
101.02435	2.6
111.00893	19.9
112.98840	5.5
115.00403	1.5
115.92080	33.0
116.92876	7.3
117.05604	6.2
129.01950	18.1
145.00888	1.2
160.89339	1.3
173.00941	2.7
173.04561	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	229.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22597	0.8
71.01388	100.0
72.99323	3.6
74.54722	0.7
78.81327	0.7
84.26177	0.8
89.02451	1.7
92.10096	1.8
95.52389	0.7
106.55585	0.7
108.82827	0.7
109.72812	0.7
113.06106	49.9
115.00388	42.7
126.93861	0.8
133.01451	42.3
229.10678	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
66.03501	1.3
73.01166	9.3
76.58130	1.1
80.05078	1.4
82.02995	6.8
96.04556	28.2
98.99096	8.2
108.04565	29.1
114.00201	100.0
142.03334	97.5
146.08200	1.7
186.02319	33.3
203.86432	1.2
229.99004	2.5
230.01308	73.7
230.10251	2.2
232.85957	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	227.0929
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
50.31594	0.5
59.01400	0.9
61.27269	0.5
69.41680	0.6
72.04990	0.5
72.99312	100.0
74.59418	0.6
75.00894	3.8
79.92827	0.5
82.89871	0.5
113.06140	0.6
122.03770	0.7
125.06140	0.9
138.06900	1.2
139.07661	4.5
151.07671	5.8
152.08479	5.7
153.09175	0.9
165.09180	5.8
181.07115	1.0
209.08202	2.7
209.40450	0.6
221.65080	0.6
227.09300	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49114	1.3
54.23755	1.6
59.01357	1.4
62.73439	1.4
64.84805	1.7
69.29626	1.5
73.05557	1.5
73.85188	1.6
75.24092	1.4
80.02668	2.3
81.03461	1.8
83.05035	3.3
84.02174	6.8
163.11304	8.7
165.12872	3.1
171.10344	1.8
181.07137	2.4
209.11852	100.0
227.12885	3.7
227.20221	3.1
233.94260	1.7
236.70425	2.1
242.32224	1.7
244.47691	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99334	0.8
68.09008	0.8
71.05051	1.1
80.02687	2.4
81.03461	1.9
83.01386	1.1
83.05028	8.2
84.02168	4.3
87.20344	1.0
92.10116	2.1
92.87475	0.9
95.05069	1.2
126.27010	1.1
129.78130	1.2
139.11295	2.4
150.89822	1.0
163.11284	5.6
165.12830	5.6
181.07175	2.1
209.11874	100.0
227.12949	2.4
227.20161	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	227.0716
Annotation	Hibicutaiwanin
Peak:m/z	Relative Intensity
54.58538	0.2
70.69490	0.2
73.73833	0.3
81.07114	0.5
92.10794	0.8
93.03452	0.3
100.00193	0.3
104.67650	0.3
120.62798	0.3
121.02956	100.0
122.03250	1.0
181.07214	1.1
183.13861	0.4
184.48753	0.3
227.05020	0.5
227.07155	3.8
227.16597	0.6
227.20230	1.2
231.04027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89957	0.3
59.96828	0.3
63.96243	0.5
72.99321	1.4
80.99595	0.3
81.03435	0.4
83.10370	0.3
109.02958	14.7
109.03685	0.7
119.05075	0.4
121.59590	0.4
123.04549	0.7
135.98375	0.5
137.02449	60.9
138.02779	0.4
151.04034	6.5
160.25204	0.4
179.03511	100.0
180.03822	1.7
183.11392	1.5
193.05048	0.5
194.05859	60.4
195.06267	0.5
209.08224	15.3
227.10548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.00832	0.9
52.48786	0.8
57.03447	1.0
59.01383	100.0
66.22567	0.9
69.03466	2.4
73.97001	1.0
89.02457	1.1
92.14672	1.2
101.02410	1.1
109.06597	1.2
114.86650	1.1
117.14516	1.1
132.56856	1.0
136.44043	1.1
141.01720	19.6
151.04022	2.1
158.40257	1.1
163.06157	2.2
166.06306	7.0
167.10770	5.6
177.12849	1.2
179.10783	4.0
179.14401	6.5
184.58623	1.0
195.13914	27.5
205.12364	15.8
222.66449	1.3
223.13414	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0406
Annotation	Prephenic acid
Peak:m/z	Relative Intensity
60.35674	0.6
72.99304	38.3
92.10100	2.0
93.03485	1.4
102.60461	0.7
107.05032	60.5
117.03460	5.1
118.01306	0.9
119.05020	100.0
151.04002	29.4
163.04012	49.3
179.03545	3.7
183.95067	0.8
192.24722	0.9
207.03003	46.0
216.32458	0.8
225.04066	60.4
226.04416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
54.72778	1.2
55.01891	2.1
55.37859	1.2
57.31597	1.2
59.01388	26.3
67.18411	1.2
69.03465	2.5
71.01398	2.5
71.05041	1.4
72.92657	1.3
80.02652	3.0
80.51267	1.2
81.03465	10.2
83.05043	7.7
84.02184	7.2
84.91048	1.7
93.03477	2.4
95.05047	2.0
97.02947	11.8
109.06600	84.2
110.03740	5.8
121.06603	6.5
135.04504	11.9
135.08163	13.3
136.05287	2.2
137.02486	1.7
142.02693	6.4
152.21291	1.4
161.09747	6.6
163.11304	40.2
166.09489	1.5
181.12383	16.6
189.09087	2.1
195.98079	1.4
195.99919	1.3
207.10304	100.0
225.11359	39.5
232.84323	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	221.1547
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
53.64978	0.6
56.53447	0.6
59.01392	37.9
62.78809	0.7
71.93651	0.6
73.02958	1.0
73.21799	0.7
83.57407	0.7
84.04247	0.7
161.04555	3.5
164.08470	1.2
205.12366	2.8
206.12730	0.7
220.14830	5.7
221.15483	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.9
55.60134	1.1
56.40694	1.2
57.03470	7.1
57.40571	1.2
58.01585	1.2
59.01390	32.4
61.42035	1.2
61.51363	1.0
64.34691	1.3
67.39643	1.1
67.87456	1.6
69.03487	1.8
71.01390	15.8
72.99310	49.5
72.99684	2.5
73.01199	5.6
73.02975	7.4
75.00895	11.0
76.15667	1.2
81.03460	20.7
83.01414	7.1
85.02959	43.9
85.03448	2.0
87.00883	11.5
87.02761	5.3
87.04546	1.8
89.00682	2.3
89.02447	1.4
91.02286	2.4
96.37488	1.3
99.00880	26.5
101.02488	2.0
111.00919	1.7
112.98846	9.3
113.02478	8.5
115.00425	2.0
117.01940	3.1
117.03799	5.1
120.99655	8.0
125.01725	1.4
125.02454	58.2
129.01952	82.5
131.03525	2.0
135.01250	6.8
135.04871	100.0
143.02539	1.4
143.03534	8.7
143.40723	1.3
147.03009	28.1
161.04597	2.7
178.11488	1.4
205.03572	29.2
223.02914	3.7
223.04659	75.3
223.06575	18.3
223.08394	2.0
229.33214	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	219.106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80853	0.2
52.81993	0.1
54.36305	0.1
59.01387	100.0
60.01710	0.3
86.41330	0.2
96.41652	0.2
105.63251	0.2
148.20253	0.2
171.39296	0.2
174.39832	0.2
175.53931	0.2
195.88734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.046
Annotation	K 251-1
Peak:m/z	Relative Intensity
59.01387	39.2
69.03456	1.3
71.01407	0.9
73.02966	1.1
85.02950	0.8
87.48387	0.6
87.49126	0.6
89.02449	0.8
97.02930	0.6
101.02470	0.9
107.01407	6.0
119.01395	1.2
131.03523	0.8
135.00899	15.2
135.61507	0.5
161.04561	3.4
163.00388	33.3
178.02802	0.8
190.99883	100.0
192.00192	1.3
205.01532	0.9
206.02231	77.2
207.02588	0.6
221.04594	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	221.0668
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
59.01385	100.0
63.40596	0.4
64.23602	0.4
71.01373	4.9
72.99315	3.9
73.02953	4.4
80.63277	0.5
83.01389	1.1
85.02945	8.4
87.00881	2.8
89.02460	2.6
101.02453	5.9
113.02477	1.2
129.02031	0.8
131.03497	3.2
133.01494	0.6
135.25018	0.5
148.36105	0.6
161.04581	10.0
169.30370	0.5
221.06758	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69032	0.6
57.53424	0.6
59.01385	100.0
77.65774	0.8
90.97132	0.8
124.88094	0.6
132.98239	4.0
134.89069	0.8
174.99251	26.7
202.72011	0.7
217.00319	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	217.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17325	0.6
59.01385	100.0
62.22053	0.6
85.49486	0.6
88.87558	0.7
101.03188	0.7
112.36364	0.7
132.98183	3.8
142.02449	0.7
174.99268	27.4
194.59016	0.7
217.00322	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	219.0777
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.36493	0.3
50.62238	0.2
50.76469	0.3
51.91129	0.2
59.01392	1.7
62.65765	0.3
72.99300	0.3
73.02954	0.4
76.58041	0.3
81.03450	0.3
86.02466	0.4
92.05058	1.8
96.96059	0.4
103.04012	0.8
111.04546	0.4
120.04609	0.3
125.02503	0.6
128.05087	0.6
130.06638	2.8
131.03766	1.3
132.04538	0.6
143.03499	0.3
144.04610	0.7
144.45145	0.3
146.04865	2.7
157.07722	100.0
158.08116	1.1
175.08798	2.3
201.06651	3.0
219.05353	0.6
219.07750	10.8
219.17587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.04275	1.0
51.08141	0.9
55.04556	1.0
57.03469	7.5
59.01388	100.0
60.07000	1.0
60.52673	1.2
61.35579	1.0
61.35905	1.2
71.49736	1.2
74.74644	1.1
80.02675	1.3
81.03475	5.0
92.10771	4.0
97.06611	2.7
100.02021	1.1
109.06626	5.4
121.02950	23.7
140.13168	1.3
140.54259	1.1
148.28040	1.1
164.10538	1.1
165.12869	5.6
193.94131	1.1
209.11853	14.3
227.41753	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.80868	0.6
59.01390	3.6
60.44583	0.6
61.98856	2.4
69.03460	0.9
71.01381	0.8
88.90210	0.6
91.81174	0.7
151.06055	1.0
167.10765	0.7
167.14378	1.2
183.13901	16.3
193.12367	5.4
211.13429	100.0
212.13770	1.3
218.34734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.9693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.7
59.94254	0.6
70.72401	0.7
72.04581	0.6
78.55725	0.7
78.95924	1.0
79.95748	22.4
79.96201	0.9
80.54302	0.6
80.91862	0.6
80.96527	100.0
83.33212	0.8
85.35612	0.6
87.00890	22.0
89.45386	0.6
96.94249	1.1
101.76240	0.8
102.98609	1.0
108.70932	0.7
112.09053	0.6
126.95296	32.8
127.03956	0.7
135.11768	0.7
152.96887	8.0
175.06178	0.7
196.95854	18.3
214.96936	58.4
215.10442	0.8
229.32916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14586	0.3
50.36713	0.4
51.42034	0.3
51.77117	0.3
54.99110	0.4
56.49026	0.4
58.42749	0.4
59.05952	0.5
65.44154	0.4
71.56866	0.4
135.51506	0.4
186.58600	0.4
189.12978	1.3
205.16011	100.0
206.16357	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	209.0667
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
55.01879	7.7
57.03458	41.4
58.99607	6.3
59.01385	43.4
67.01913	0.9
69.08983	0.9
71.01381	34.5
72.99319	5.9
73.01196	1.5
73.02963	4.7
74.99099	36.7
75.00893	6.5
77.00676	1.9
78.95903	13.7
79.70771	0.9
83.01400	8.0
84.02181	6.5
85.02956	100.0
86.00082	0.9
87.00877	64.5
89.02447	13.6
93.03477	1.3
96.96950	13.5
99.00895	6.9
101.02448	6.1
103.00383	1.0
103.02251	1.4
108.52952	1.1
111.00908	8.8
112.98804	1.5
115.00364	1.7
119.37655	0.9
120.99662	8.6
121.03010	6.4
124.00781	1.3
129.01945	35.1
133.01398	5.6
136.99138	13.8
141.01984	4.6
142.99855	7.5
144.94881	1.0
147.03004	6.5
159.02943	5.9
173.00919	1.6
173.04539	2.2
177.26834	1.0
179.03438	1.2
191.02014	11.6
196.40063	1.1
204.04953	1.0
209.01257	2.3
209.03130	13.2
209.06685	56.3
211.36650	0.9
214.42993	1.1
229.88229	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	205.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10078	1.2
53.53642	1.0
53.57831	1.0
55.01893	2.4
57.03456	2.3
58.94588	1.2
59.01392	58.5
67.01919	4.9
67.78834	1.2
68.99843	2.3
71.01389	28.8
71.05036	7.8
72.99316	32.1
73.02934	9.5
75.00881	10.5
75.58816	1.2
81.03472	2.4
83.01385	4.9
83.05032	3.1
85.02971	6.3
87.00883	42.2
87.01376	2.0
97.06595	33.1
99.00884	14.6
99.04517	14.3
99.08213	1.4
101.02465	12.2
108.98315	1.2
111.00900	70.1
114.38472	1.2
115.00384	24.4
115.04015	15.8
116.01719	1.7
117.01962	2.4
124.98811	5.2
125.02453	31.1
125.06082	6.2
127.04004	5.5
129.01953	5.1
141.05571	6.3
142.99887	7.7
143.03528	5.5
143.07164	58.6
145.01471	3.0
145.05093	33.3
150.99037	1.5
154.99863	9.8
162.89383	5.6
173.00949	6.7
187.06171	31.9
189.12743	2.1
205.03534	6.9
205.07228	56.9
205.16019	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	205.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10078	1.2
53.53642	1.0
53.57831	1.0
55.01893	2.4
57.03456	2.3
58.94588	1.2
59.01392	58.5
67.01919	4.9
67.78834	1.2
68.99843	2.3
71.01389	28.8
71.05036	7.8
72.99316	32.1
73.02934	9.5
75.00881	10.5
75.58816	1.2
81.03472	2.4
83.01385	4.9
83.05032	3.1
85.02971	6.3
87.00883	42.2
87.01376	2.0
97.06595	33.1
99.00884	14.6
99.04517	14.3
99.08213	1.4
101.02465	12.2
108.98315	1.2
111.00900	70.1
114.38472	1.2
115.00384	24.4
115.04015	15.8
116.01719	1.7
117.01962	2.4
124.98811	5.2
125.02453	31.1
125.06082	6.2
127.04004	5.5
129.01953	5.1
141.05571	6.3
142.99887	7.7
143.03528	5.5
143.07164	58.6
145.01471	3.0
145.05093	33.3
150.99037	1.5
154.99863	9.8
162.89383	5.6
173.00949	6.7
187.06171	31.9
189.12743	2.1
205.03534	6.9
205.07228	56.9
205.16019	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40603	0.9
55.01888	5.8
55.85180	1.0
57.03460	2.6
59.01385	40.7
59.01654	2.0
67.01900	1.6
68.99829	2.9
70.48006	1.2
71.01379	31.3
71.01726	2.1
71.05044	2.2
72.99316	20.8
73.02943	2.8
74.50875	1.2
75.00872	11.9
83.01414	7.7
84.99325	3.0
85.02956	2.2
87.00887	12.0
89.02448	12.9
91.64632	1.3
96.49039	1.4
97.71834	1.3
99.00889	39.5
101.02477	6.4
111.00874	9.9
112.11581	1.3
112.98810	100.0
115.00402	17.7
117.01969	5.1
124.98756	2.1
125.02422	9.5
127.00442	1.4
129.01987	9.1
131.87688	1.3
142.99864	7.6
145.01428	12.9
159.08549	1.8
173.00914	7.1
205.03558	2.0
205.07234	1.9
205.09113	1.7
205.15993	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	204.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62373	0.4
50.92883	0.4
51.16385	0.5
55.01888	0.9
55.48114	0.4
56.78199	0.4
57.03452	5.3
58.02981	22.8
59.01390	5.4
59.21234	0.5
69.03462	3.6
70.40340	0.5
71.01029	0.7
71.01368	4.3
71.05025	2.0
72.04552	2.9
72.99300	4.1
73.02977	0.6
74.02474	0.6
75.00881	0.8
79.61402	0.5
82.02988	0.8
82.17274	0.5
83.01398	1.0
83.05037	0.5
84.04556	6.5
85.02955	18.9
86.06135	2.0
87.00877	5.4
89.02487	0.8
97.02921	0.5
98.02481	3.2
98.06120	9.6
99.00903	3.1
99.04528	3.6
100.04044	21.8
101.02435	6.1
108.04529	4.0
110.06127	3.5
111.00891	0.9
112.07677	0.8
112.98796	6.3
114.05597	5.2
114.09240	2.2
115.00371	3.6
115.04022	1.2
116.07182	25.4
117.01940	0.8
118.05109	0.7
124.07686	5.0
125.02441	10.3
128.07172	4.1
129.01933	0.7
130.08740	0.8
138.05641	6.7
140.07187	27.9
142.08731	1.1
143.03435	0.8
144.06645	2.5
145.01433	2.9
149.17096	0.5
158.08237	48.5
162.07738	4.8
165.55052	0.6
168.06677	4.0
186.07736	18.2
187.02490	1.0
202.07245	2.3
204.08795	100.0
205.03574	3.3
205.07257	4.3
205.08989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24849	0.8
54.82636	1.0
55.01889	2.7
57.03458	5.1
58.14164	1.0
59.01387	36.3
64.15652	1.0
67.01901	1.2
69.03461	44.0
71.01386	33.5
71.05014	8.8
72.99310	28.9
73.02953	6.3
75.00867	9.4
77.55011	1.0
79.01904	4.1
80.31512	1.0
80.55052	0.9
81.03505	1.9
83.01392	2.6
83.05027	9.0
85.02953	27.1
85.06615	1.5
87.00877	18.0
87.02755	1.5
87.04536	2.6
88.91988	1.1
95.01418	2.5
95.05051	1.9
97.02954	59.3
97.06591	37.9
99.00887	6.9
99.04526	6.2
100.92589	1.3
101.02444	1.5
101.06109	1.2
103.92074	1.1
111.04533	15.1
113.02464	34.9
113.06100	18.0
115.00385	4.9
115.04018	14.5
115.07687	1.3
116.01762	9.3
123.00883	1.5
123.04545	15.7
125.02446	4.3
127.04011	26.5
129.01945	4.2
139.04024	35.3
140.04710	1.5
141.01965	14.8
141.05586	17.1
143.03481	1.4
148.95537	1.1
159.06642	2.4
160.89299	2.2
161.89436	1.6
174.99257	1.6
185.01028	1.6
185.04585	15.2
192.78789	1.3
203.00182	2.6
203.02026	49.0
203.05656	100.0
204.06010	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	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85236	0.5
59.01389	100.0
60.46125	0.5
66.88625	0.4
72.68226	0.5
75.07427	0.5
83.16382	0.5
124.36289	0.6
157.03610	3.5
159.01524	2.4
201.02611	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	201.9579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07485	0.7
59.01389	81.4
60.01715	2.9
63.30405	0.7
64.87011	0.6
65.93782	0.6
73.58210	0.8
81.22873	0.7
99.92589	100.0
100.92636	1.2
101.30701	0.7
103.92051	3.1
115.92127	1.0
116.66956	0.8
116.92862	16.4
120.42134	0.7
123.06028	0.8
126.76271	0.7
130.94420	1.0
141.86836	49.2
141.93651	78.7
142.93683	1.0
159.87885	32.2
159.89392	6.4
160.89288	1.8
164.83611	22.5
166.83333	8.3
174.93237	0.7
201.80240	11.1
201.95871	5.4
202.02776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	15.0
58.02986	21.9
59.01399	14.6
64.61461	3.0
69.03464	59.1
71.01381	49.3
72.04522	3.3
72.99308	17.8
73.02945	5.1
74.02512	3.6
75.00874	4.7
79.01862	4.8
80.08086	3.2
83.05000	4.1
84.04539	3.3
85.02951	32.8
87.00887	7.1
88.12444	3.3
95.01383	8.1
95.05025	4.7
97.02948	88.6
97.06568	13.7
97.59769	3.1
97.90996	3.3
99.00854	4.1
100.04034	24.7
104.38680	3.3
111.00910	3.3
112.07671	4.3
113.02474	6.7
113.06080	6.0
114.01982	8.2
115.00422	3.9
115.03978	4.3
116.07166	23.7
123.04477	4.5
128.07175	3.7
132.03061	7.1
138.05611	4.3
140.07182	32.7
141.01990	27.4
141.05586	8.1
142.87912	3.5
156.16826	3.5
157.06995	6.2
158.08246	53.4
162.17801	3.9
185.04613	5.5
186.07738	18.1
202.07224	4.5
203.02014	83.0
203.05630	33.3
203.07574	13.9
204.08784	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	200.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.2
61.58561	1.5
66.61877	1.5
70.02997	7.0
72.99323	8.3
74.29559	1.6
84.04562	1.6
90.73223	1.7
90.98828	1.5
95.05038	10.7
98.02492	24.7
108.04552	4.1
110.02487	31.3
110.06123	7.1
111.04540	2.8
112.04042	22.2
112.07688	10.7
123.03291	4.2
124.04047	3.3
126.05643	2.9
136.04050	9.7
138.02013	1.8
138.05624	20.4
151.88576	1.6
154.05116	33.1
154.38104	1.5
155.03525	7.3
156.06693	22.3
172.06259	2.8
177.70529	1.8
182.04623	34.2
200.05672	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	200.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90683	1.6
67.43011	1.6
67.43687	1.5
70.02995	9.5
72.04556	8.3
72.99322	2.6
78.43620	1.7
84.04556	3.7
86.06174	1.7
87.34611	1.7
92.10689	1.7
94.02975	3.9
95.05035	8.7
98.02490	21.5
108.04574	2.4
110.02496	21.6
110.06123	3.1
111.04565	2.0
112.04041	17.4
112.07671	3.0
114.80511	2.1
123.03278	2.6
124.04018	4.2
126.05611	3.7
128.07152	3.8
136.04056	9.0
138.05618	40.1
139.04085	1.8
147.48897	1.7
154.05112	30.3
156.06656	36.1
158.13518	1.7
166.36969	1.7
182.04597	26.3
200.05669	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.30395	0.4
58.00983	0.4
61.98848	0.4
67.92084	0.4
69.03494	0.7
71.05021	1.0
71.39331	0.4
97.06586	15.6
97.07201	0.7
99.08144	3.1
103.97704	0.5
109.76351	0.5
122.03764	2.2
125.09675	0.6
136.35349	0.4
137.09729	2.6
138.17123	0.4
151.11252	0.9
153.12865	100.0
154.13138	3.8
160.84200	2.1
162.83934	9.4
167.35484	0.5
179.10783	21.5
197.02106	0.6
197.11852	7.5
197.80780	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	198.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
78.71133	1.1
79.48038	1.0
108.04559	1.5
112.93507	1.2
116.92883	5.3
117.92901	4.4
122.06147	4.6
124.07693	100.0
134.06184	1.3
136.07698	54.2
137.06120	1.5
156.89540	2.4
160.84221	15.3
162.83957	30.0
166.38762	1.3
168.06633	9.8
180.06694	54.7
183.06178	1.2
197.80814	13.4
198.07739	10.9
207.97591	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	199.0979
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.82341	0.7
55.17460	0.7
73.02956	1.8
76.87086	0.7
91.73491	0.7
94.77147	0.7
99.00919	0.8
108.57079	0.7
110.76777	0.7
111.00869	0.9
114.90179	0.7
134.66914	0.7
135.08170	1.7
137.09727	8.7
155.10797	100.0
156.11182	1.5
156.89482	1.3
187.56650	0.7
199.09750	6.7
199.17052	1.7
213.80391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92651	0.5
62.77769	0.5
63.13249	0.5
73.91879	0.7
86.72598	0.5
93.03469	2.3
95.95235	0.9
96.96011	5.8
98.95596	3.9
98.96436	0.7
103.92065	0.7
108.02213	1.3
109.02962	1.1
116.92860	10.4
117.92879	2.2
121.02954	91.6
123.00849	0.6
135.04526	0.8
137.02481	0.8
141.77626	0.6
148.72920	0.5
149.02434	2.9
152.01198	0.8
160.84215	5.8
162.83916	15.4
162.94794	0.6
164.04802	100.0
165.01917	0.7
165.05115	3.1
166.84460	0.5
179.07152	9.3
197.80844	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	197.1186
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01374	0.8
60.63198	0.6
76.77872	0.7
85.71381	0.8
88.70147	0.7
101.46770	0.7
112.28117	0.8
118.90589	0.8
126.90589	0.9
129.40331	0.8
141.09186	0.9
153.09190	1.0
153.12848	4.2
160.84235	1.9
162.83894	6.6
163.28178	0.8
169.12367	19.1
171.61754	0.9
179.10730	1.6
182.02133	0.8
182.07256	0.8
197.11859	100.0
197.80835	3.7
198.12172	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0204
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00341	1.3
52.46900	0.7
61.34932	0.6
61.98839	0.9
65.03979	0.7
65.99851	4.2
68.01431	0.9
68.99817	0.9
69.74745	0.6
74.33352	0.7
76.01945	0.9
78.03508	3.5
94.03041	1.1
102.28954	0.9
104.01434	2.9
104.71827	0.8
108.02171	2.9
109.02988	4.6
111.81006	0.7
119.02496	0.8
120.00931	0.9
122.02503	1.2
122.17829	0.8
133.01726	4.0
134.64549	0.8
136.00369	0.8
137.02481	1.2
137.82544	0.8
138.01962	1.9
142.02628	0.8
150.02019	7.8
160.84216	7.7
162.83925	17.3
167.02298	1.3
168.28796	0.9
179.01038	3.6
180.01778	4.9
182.02284	1.0
197.02080	100.0
197.80852	8.7
198.02322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0458
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
51.01120	0.5
51.39906	0.4
54.31405	0.5
55.16511	0.6
56.34271	0.5
62.57995	0.5
66.40588	0.5
66.56894	0.6
67.01913	0.6
67.27338	0.5
68.65908	0.5
75.89770	0.5
82.75193	0.6
89.00375	0.8
89.35390	0.5
95.01398	23.8
106.00611	0.8
121.02972	9.6
123.00893	88.1
138.03247	17.1
153.05609	9.6
166.99881	54.0
175.44992	0.7
181.01505	2.3
182.02237	100.0
183.02594	0.8
197.04582	24.1
201.38373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34315	1.1
57.03456	6.3
59.01385	33.6
60.67419	1.4
69.17175	1.5
71.01395	17.8
72.99306	13.4
75.00872	100.0
78.95926	7.1
85.02964	8.9
87.00880	38.7
87.06543	1.5
89.02463	9.9
96.96968	11.2
98.57391	1.5
99.00874	17.1
101.02463	1.7
105.01938	36.5
107.01769	2.5
108.04556	3.0
111.00872	2.5
123.17570	1.4
125.38369	1.6
129.01945	46.9
137.02412	2.0
147.03012	13.8
151.19449	1.7
159.02953	12.9
165.01938	7.2
177.04092	13.6
181.94016	1.6
195.05116	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43834	0.2
73.24837	0.3
74.50157	0.3
93.28137	0.3
96.95985	0.4
108.02190	1.7
122.03727	10.5
122.04607	0.4
123.04547	0.5
150.03233	100.0
151.03587	2.2
165.05574	42.1
166.05928	1.8
180.04306	12.7
192.33499	0.3
195.06636	9.9
214.20448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0666
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
51.42147	0.6
59.01406	0.6
63.66511	0.6
67.01907	3.2
73.70008	0.5
77.40692	0.5
77.41170	0.5
92.10766	0.7
96.96017	40.5
96.96976	2.0
107.04996	0.8
108.04608	0.7
109.02983	4.4
129.02013	0.7
137.02457	49.7
151.04036	1.1
165.01949	100.0
166.02202	1.2
180.04311	27.8
181.04587	0.8
195.06621	5.9
205.39124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0253
Annotation	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
Peak:m/z	Relative Intensity
50.52312	0.2
78.95924	0.5
79.01936	0.2
79.59865	0.2
82.29299	0.2
86.88594	0.2
96.96020	1.4
98.95584	0.3
106.68033	0.3
107.03778	0.4
108.04572	100.0
109.04232	0.4
109.04914	1.6
116.92843	1.4
123.02409	0.2
126.90476	1.0
130.67445	0.2
152.03560	29.2
152.12642	0.3
153.03944	0.4
171.54198	0.3
196.02568	6.8
196.89398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
53.49927	1.3
57.03453	9.7
59.01383	34.7
71.01387	18.1
72.99310	13.8
74.99099	1.7
75.00871	100.0
83.01395	1.6
85.02950	11.9
87.00870	48.3
88.54153	1.5
89.02450	12.6
99.00882	17.5
101.02431	2.4
105.01941	52.4
111.00940	1.8
129.01949	46.8
147.03035	18.4
156.03297	1.8
159.03001	14.7
177.04022	20.3
195.05107	89.2
196.05338	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	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.50899	0.2
57.03454	0.6
59.01380	4.1
66.82063	0.3
67.01902	1.4
69.03462	0.5
71.01392	2.0
73.02940	0.6
78.22511	0.3
81.03479	1.2
83.05061	1.5
83.52405	0.3
85.02957	28.2
85.50540	0.3
87.00880	6.0
93.03458	8.7
95.01368	0.3
99.00826	0.3
99.04536	1.8
109.02987	2.4
111.04509	2.4
113.02502	0.4
127.04032	5.7
127.75838	0.3
170.22873	0.3
171.02985	1.1
173.04585	2.0
191.05641	100.0
192.06009	0.5
203.56113	0.4
214.42212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03438	1.1
59.01394	4.5
65.39441	0.9
67.01906	1.2
71.01409	1.4
73.02957	1.3
81.03509	1.2
84.06741	1.0
85.02953	36.1
85.03456	1.2
87.00867	12.6
93.03465	8.5
104.09221	0.9
109.03005	1.3
111.00897	13.8
127.04009	4.1
130.09549	0.9
144.76378	0.9
149.11751	1.2
171.02872	1.2
173.04544	1.2
176.47844	0.9
191.05644	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	193.0509
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.84605	0.5
59.01390	0.8
60.33456	0.5
61.02755	0.5
71.01380	0.7
85.02984	0.8
88.17682	0.5
89.03991	3.2
106.04227	1.0
115.43052	0.6
117.03468	4.1
121.02971	1.1
133.02945	1.2
134.03743	100.0
135.04095	0.7
137.02452	4.6
147.04424	0.6
149.06097	6.2
178.02737	12.9
193.05057	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	191.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
59.01382	3.5
65.01538	0.3
67.01899	0.5
68.46989	0.4
81.19946	0.3
85.02950	7.4
87.00880	7.3
91.42089	0.3
92.02708	0.4
93.03469	0.3
93.79544	0.3
95.01389	1.5
101.02464	0.3
104.02691	0.7
108.02180	10.4
111.00892	15.4
120.02185	4.6
123.00870	0.3
129.01935	0.4
134.32921	0.3
136.44382	0.3
148.01674	9.2
158.11308	0.3
160.82678	0.3
173.82327	0.3
176.01169	100.0
177.01509	2.1
178.99988	0.4
188.01569	0.3
189.04123	0.3
191.01970	2.0
191.03539	13.5
191.05621	5.6
206.11974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0353
Annotation	Scopoletin
Peak:m/z	Relative Intensity
57.03433	0.2
59.01358	0.8
63.66837	0.2
67.01858	0.2
68.03902	0.2
85.02950	1.7
87.00890	1.2
95.01351	0.2
104.02689	24.4
109.13833	0.2
110.18289	0.2
111.00892	3.5
120.02192	2.6
123.00864	0.7
127.55274	0.2
138.03239	0.2
148.01686	26.3
149.02005	0.7
176.01164	100.0
177.01524	2.3
180.00696	0.3
191.03535	17.0
191.05605	1.8
192.03896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01118	0.5
57.03462	6.1
59.01392	4.5
67.01895	4.8
71.01396	3.0
71.20902	0.5
72.99275	0.6
73.02973	1.2
80.93180	0.6
83.05029	0.7
85.02958	44.9
87.00881	42.7
93.03448	7.7
99.04534	2.2
106.67889	0.6
109.02968	1.5
111.00896	66.1
111.04543	2.4
111.88544	0.7
119.58971	0.5
127.04012	6.0
127.18330	0.5
129.01974	3.4
161.02618	0.7
173.00946	1.0
173.04602	2.6
191.02063	8.5
191.05650	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	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.27544	0.6
57.03453	8.2
57.78392	0.6
67.01905	3.8
69.94948	0.7
78.44478	0.7
85.02950	32.7
87.00874	54.9
92.10854	1.4
92.71438	0.7
107.61618	0.7
111.00883	100.0
112.01218	3.2
120.91304	0.7
129.01955	3.9
173.00887	1.1
191.01993	11.9
191.05589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
53.81487	0.3
57.03451	0.4
57.41461	0.3
58.91662	0.2
59.01395	2.6
59.38253	0.3
82.99976	0.3
85.02970	1.9
87.00897	1.6
93.03509	0.4
97.57627	0.3
111.00872	3.5
118.99305	0.6
119.05022	1.3
120.46007	0.3
121.02960	100.0
122.03297	1.9
134.18857	0.3
140.60263	0.3
147.04535	7.0
176.01282	0.3
181.86363	0.3
191.03531	6.2
191.05592	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	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03458	4.0
59.01393	0.6
66.91930	0.3
69.03461	0.4
70.96009	0.3
71.05029	0.2
75.88577	0.3
83.05015	0.4
92.10079	0.6
95.05050	0.7
97.06594	14.6
108.65266	0.3
116.80929	0.3
117.62600	0.3
117.92561	0.2
123.08179	9.2
124.77151	0.3
125.09726	100.0
126.10092	1.8
143.10773	2.1
169.08720	2.6
187.09775	44.9
188.10138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34580	0.5
56.63332	0.4
57.03452	6.0
59.01392	1.1
67.01891	4.8
71.01380	0.6
73.95860	0.5
80.35704	0.6
82.77222	0.5
85.02959	38.0
87.00881	57.5
88.25478	0.5
88.50999	0.5
93.03474	2.7
103.73370	0.5
109.00929	0.6
109.02962	0.7
111.00892	100.0
112.01244	1.1
127.04034	2.1
129.01932	4.7
161.58368	0.5
173.00961	1.3
191.02019	11.9
191.05637	22.7
209.34779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59977	0.9
59.01383	87.8
64.25855	0.6
66.18539	0.7
70.96467	0.8
74.35147	0.8
76.44920	0.8
115.02535	4.2
116.88830	0.8
117.00441	13.7
137.56918	0.9
142.89384	1.1
144.99927	1.3
159.01509	100.0
160.01677	5.0
187.01015	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	187.025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05189	0.4
59.01379	0.8
59.92410	0.4
62.50331	0.4
62.84579	0.4
63.54237	0.3
67.01896	0.9
69.51932	0.3
71.05025	2.9
71.20204	0.4
71.83761	0.4
72.99317	0.5
81.03465	6.2
83.01411	0.5
90.59533	0.4
92.83953	0.4
95.96194	0.4
97.02954	0.8
98.02491	2.1
99.04519	44.8
101.76614	0.4
112.63145	0.4
114.05621	2.0
115.04007	12.8
125.02449	100.0
126.02782	1.7
128.03601	0.4
138.14035	0.4
141.73341	0.4
142.05081	1.9
143.03525	10.9
144.06638	1.8
149.59738	0.5
169.01405	0.4
169.05110	0.5
187.02499	16.7
187.06107	0.9
187.10811	0.5
187.92305	0.4
188.05646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
59.36295	0.8
67.01904	1.1
67.98518	0.8
71.05042	1.6
71.85377	0.8
79.16774	0.8
81.03440	7.0
98.02483	1.7
99.00874	1.3
99.04509	52.5
108.21770	0.9
115.03999	9.0
116.03531	2.0
125.02436	100.0
143.03519	15.7
144.03032	2.2
171.87044	1.0
187.02461	17.3
204.12111	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	179.0561
Annotation	551-68-8
Peak:m/z	Relative Intensity
55.01913	1.0
57.03484	0.8
58.00603	1.9
58.19965	0.7
59.01387	100.0
63.66996	0.8
67.83186	0.8
71.01383	57.7
72.99326	5.4
73.02958	4.5
75.00877	25.2
75.01244	1.3
81.03453	1.1
85.02957	9.7
87.00895	3.9
89.02445	31.0
90.98586	7.5
95.01398	1.6
99.04649	0.9
99.41862	1.0
101.02464	5.5
108.14043	1.1
113.02468	7.7
119.03533	1.9
143.03529	4.2
161.04582	4.5
174.79861	1.0
179.05609	18.2
179.84079	1.1
179.85664	1.1
190.04828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
50.09877	1.1
50.49964	1.0
55.01886	1.3
58.00596	1.6
59.01387	78.5
59.66624	1.3
67.60059	1.1
71.01387	40.0
71.05033	2.5
72.99311	16.6
73.02953	10.2
75.00871	100.0
77.93096	1.4
81.03471	8.3
85.02985	5.7
87.00878	10.6
87.57235	1.2
89.02439	22.3
90.98584	10.6
96.96017	13.6
99.00898	1.4
101.02480	2.3
107.06592	1.5
113.02460	2.0
132.07346	1.5
135.04582	1.5
138.01685	1.5
143.03491	16.3
161.04582	9.2
179.05620	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0509
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
51.80785	0.3
59.01386	10.9
61.33635	0.4
67.01906	2.1
71.01385	11.0
71.01772	0.5
73.02953	4.3
83.01402	0.4
85.02975	1.7
86.03844	0.3
89.02462	7.6
92.10759	0.8
95.01421	1.7
97.02968	0.5
101.02454	7.6
113.02450	1.5
119.03576	0.7
123.00899	21.9
131.03447	0.4
133.91220	0.4
137.02460	1.5
151.00394	100.0
152.00748	1.8
153.03064	0.8
163.06152	1.6
165.01949	2.5
166.02734	88.9
167.03052	1.6
181.05104	12.8
181.07214	11.2
195.11681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
51.15781	0.5
59.01389	1.0
68.93591	0.4
75.23915	0.6
79.41093	0.5
79.95718	0.7
83.47363	0.5
83.61816	0.6
92.05067	6.2
94.02992	2.2
96.96021	1.3
108.04561	70.3
109.04900	2.0
120.04543	6.6
122.02420	0.9
123.03259	1.0
136.04054	0.8
138.05609	100.0
139.05963	2.2
154.35635	0.5
174.97565	0.6
182.04613	22.8
182.07428	1.0
182.99571	0.8
193.31801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Daphnetin
Peak:m/z	Relative Intensity
53.73234	0.4
59.01402	4.5
67.96886	0.4
77.03974	0.9
81.03478	3.1
86.23579	0.5
89.03976	10.7
92.10797	0.9
93.03450	2.1
95.05036	1.1
105.03461	21.2
121.02973	0.9
133.02968	34.6
134.03310	0.6
149.02501	4.8
177.01949	100.0
178.02318	2.8
189.23090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85764	0.3
59.01380	0.5
65.38627	0.4
71.01383	0.8
76.82838	0.3
134.96095	14.6
136.94008	100.0
137.94075	4.6
151.91586	0.8
151.92729	16.4
152.92746	1.5
178.95067	35.9
179.95129	2.9
187.58795	0.4
196.96150	0.5
199.91150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	2-Hydroxy-3-(4-hydroxyphenyl)propenoate
Peak:m/z	Relative Intensity
52.28778	1.5
53.00244	1.5
53.79924	1.7
58.00590	3.2
59.01384	100.0
66.64720	1.6
66.82913	1.7
71.01382	76.6
71.01775	3.0
72.99299	3.0
78.20451	2.0
79.04980	1.9
85.02969	7.4
89.02451	32.1
95.01340	2.3
96.95980	2.5
98.79083	1.7
101.02452	8.6
104.89758	2.0
107.05027	37.3
121.02952	8.3
133.48236	2.0
135.04523	10.1
151.03983	2.5
179.03467	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	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	3.3
59.01386	100.0
61.15149	1.3
71.01382	72.7
72.37856	1.7
72.99328	3.0
81.56987	1.8
85.02950	6.6
87.00890	1.7
87.60163	1.5
89.02442	37.0
91.62254	1.5
96.96021	3.3
101.02448	7.7
113.02444	6.1
124.94946	1.7
127.04852	1.6
134.03728	6.6
135.04539	95.1
153.38924	1.4
179.03546	12.9
183.87881	1.7
191.68192	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	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
50.15612	0.9
58.00614	3.4
59.01387	100.0
66.65383	0.7
66.93237	0.8
71.01383	59.6
71.05034	1.7
72.99302	9.4
73.02973	4.0
75.00871	39.7
81.03462	0.8
83.01389	1.3
85.02950	7.7
87.00905	4.1
89.02444	30.3
95.01376	1.9
99.00890	3.0
99.04513	0.9
101.02435	6.6
113.02441	6.5
117.75098	0.8
119.03478	1.3
124.99257	1.0
143.03520	5.3
161.04594	5.1
163.25221	0.8
179.05612	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0981
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02983	1.5
71.01406	0.4
73.33348	0.3
81.88087	0.3
82.06667	0.4
85.02974	0.4
88.85831	0.3
91.35844	0.3
91.78177	0.3
93.03471	2.1
96.05630	0.3
99.00877	0.3
107.71549	0.4
111.00911	1.5
111.04580	0.5
125.97328	0.3
128.10855	2.4
130.08746	100.0
131.09067	3.3
172.09813	14.1
173.04428	0.5
173.10097	1.3
190.26833	0.4
190.28644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01894	0.6
56.37425	0.4
57.03446	0.7
59.01388	1.0
67.01904	1.9
70.84566	0.4
71.01389	12.6
71.32760	0.4
72.99295	0.7
73.02952	2.3
83.01385	2.4
85.02965	100.0
85.06595	1.2
85.50680	0.4
86.03297	0.9
87.00896	1.8
88.61728	0.5
93.03467	2.6
96.66869	0.5
99.00889	5.8
111.00146	1.0
111.00893	21.8
111.04543	2.9
112.98819	11.2
115.00423	0.6
118.06038	0.5
124.69574	0.5
124.98792	3.2
129.01065	0.9
129.01949	16.4
142.99873	5.3
154.99788	0.9
155.03508	0.9
167.33791	0.5
173.00899	3.4
173.04544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01895	1.6
56.88158	1.0
57.03439	1.9
58.34847	1.2
59.01385	9.1
59.42105	1.0
59.91478	1.0
61.36214	1.1
61.73990	1.4
68.99825	2.3
71.01379	46.2
72.99314	6.3
73.02940	5.4
83.01407	6.6
85.02953	100.0
85.06584	8.5
86.03304	1.7
87.00885	4.7
90.24248	1.5
99.00878	18.9
106.19685	1.2
107.84523	1.2
111.00893	23.3
111.04525	2.7
112.98817	62.2
115.00370	2.2
124.98792	12.2
127.57418	1.1
128.07234	1.9
129.01932	16.6
142.99881	25.8
166.26605	1.1
173.00914	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	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
55.84243	0.4
76.90627	0.6
92.10161	0.8
93.03477	2.1
108.02162	0.6
111.00883	0.7
111.35021	0.5
116.50937	0.5
121.34869	0.5
125.09663	0.5
127.11291	12.2
135.62378	0.5
138.01965	6.0
139.55956	0.5
152.50516	0.5
155.10799	2.3
171.10252	0.5
173.11842	100.0
174.12216	2.4
176.91203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96642	1.7
59.01374	2.7
62.43514	1.8
81.51115	1.7
88.88237	1.8
91.97782	1.9
92.10132	3.6
109.02998	2.6
109.06583	16.8
127.07654	75.9
128.08018	2.8
153.05588	3.0
171.02066	11.6
171.05165	3.7
171.06648	100.0
171.10222	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	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
75.68597	0.8
117.10149	0.8
117.94798	0.8
125.09765	1.2
127.11290	6.4
146.74101	0.8
171.10283	100.0
172.10629	1.6
181.82272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
56.69322	0.4
57.19313	0.5
57.42272	0.5
58.02979	1.0
63.93591	0.5
71.01373	0.5
73.02946	0.7
85.02975	0.9
93.03474	5.6
98.47954	0.6
111.00891	0.7
111.04533	0.9
128.10828	4.0
130.08740	100.0
131.09105	2.7
172.09816	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	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11327	1.5
56.65638	1.6
58.02985	100.0
58.96685	1.6
61.98837	3.8
67.09721	1.7
82.95451	9.7
87.00893	2.8
97.02891	1.9
125.02461	22.8
126.90452	2.1
132.86832	2.6
141.02094	3.9
168.03145	3.0
168.13962	12.4
169.01433	10.7
174.93680	1.8
182.03300	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	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
50.35030	1.5
52.61676	1.6
54.83153	1.9
56.09433	1.7
59.01381	2.2
59.69428	1.9
63.22099	1.6
71.62637	2.1
81.80782	1.7
88.18299	1.8
99.00854	2.2
108.13070	2.1
109.06608	13.6
111.04535	3.1
127.07656	75.9
128.08000	2.2
134.34224	1.9
158.66270	2.1
171.01993	3.8
171.06648	100.0
171.10196	3.1
171.13968	2.5
173.62990	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	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
54.06309	0.5
54.45448	0.5
65.00345	0.5
74.12566	0.4
80.02688	2.3
91.01891	5.2
108.02181	61.7
109.02511	1.7
120.54177	0.4
123.04514	17.2
152.01163	100.0
153.01498	3.2
167.03503	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	167.0714
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.44577	1.8
54.50454	2.3
55.01891	19.8
57.03462	2.1
60.05419	1.6
62.29451	1.8
63.00861	1.7
67.01917	2.3
69.03477	4.0
75.45619	2.0
92.10101	5.0
95.01414	4.5
95.48103	2.1
105.07111	17.4
107.05049	13.9
108.02148	2.6
108.05850	4.8
121.06615	34.2
123.00948	4.4
123.08172	100.0
134.60983	2.1
137.02435	2.1
141.09235	2.9
152.01151	8.7
167.03616	15.8
167.07120	2.6
168.03023	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0304
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
51.02397	0.3
55.04481	0.2
59.33566	0.2
69.03480	0.6
71.60275	0.2
79.01898	0.3
83.14444	0.2
90.99062	0.3
95.01385	4.5
109.01727	0.4
123.00893	20.6
124.01272	0.4
125.02444	0.4
137.02480	0.9
138.03250	2.2
138.58116	0.3
141.02066	0.3
151.06851	0.2
153.00700	100.0
154.01080	3.1
168.03036	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
57.57369	0.1
57.86598	0.2
62.80469	0.2
68.07783	0.1
68.26372	0.2
77.03989	0.3
92.10155	0.4
106.04253	0.2
119.07054	0.2
121.02132	0.3
121.02960	6.8
122.03744	12.4
150.03235	100.0
151.03572	2.5
152.97234	0.2
165.01921	0.3
165.05574	10.1
166.05898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
53.43880	0.2
62.50787	0.2
67.84359	0.2
71.36871	0.2
92.05060	0.5
93.03460	0.4
120.04544	0.3
121.02980	1.2
121.05345	2.9
122.02465	0.4
122.03281	0.5
129.95981	0.2
135.04478	1.1
136.04192	0.9
136.05305	24.7
137.05635	0.4
146.29466	0.2
148.04007	0.3
166.05106	100.0
166.83453	0.2
167.05467	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	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
54.42436	0.7
76.85470	0.8
77.98904	0.9
88.36869	0.8
93.34737	0.9
113.27024	0.8
121.02950	14.4
122.03277	4.2
127.13253	1.1
136.05301	9.6
151.02768	31.0
166.05106	100.0
166.83368	1.7
167.03596	1.2
167.05432	4.3
183.01714	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	165.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65312	0.8
59.01397	3.5
61.09361	0.8
67.01875	1.0
68.28331	0.7
70.32715	0.8
71.01385	2.0
72.99303	1.2
73.03007	1.1
75.00862	9.3
77.03994	1.1
77.34373	0.8
87.00877	34.1
93.03440	10.0
94.96860	0.8
98.99100	0.8
99.00896	4.3
105.01941	24.9
108.65244	0.8
109.02950	1.3
121.02959	43.0
122.03748	25.2
134.03757	0.9
136.01688	1.9
137.02454	4.8
147.03050	3.7
149.02455	8.3
150.03241	100.0
151.03584	4.7
164.89558	1.5
165.01901	3.3
165.04060	21.6
165.05594	9.0
184.04507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
54.84797	0.4
55.84142	0.4
58.35571	0.4
60.81742	0.4
64.34362	0.4
77.03976	2.5
90.42262	0.4
92.10226	0.5
93.03454	1.0
108.02225	0.5
121.02953	100.0
122.03259	3.4
165.01947	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	165.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17701	1.2
52.69116	1.4
57.79807	1.1
59.01392	10.0
71.01392	9.5
72.99311	6.5
73.02940	2.5
75.00865	43.2
81.55602	1.3
87.00874	100.0
99.00867	15.8
101.02416	1.8
105.01932	75.5
118.37158	1.5
129.01923	1.7
137.78963	1.5
147.03011	7.8
165.04044	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
51.15979	0.1
53.43834	0.1
55.01869	0.4
55.21265	0.2
57.03454	0.4
59.01388	8.8
59.98538	0.3
60.10795	0.1
64.78275	0.2
68.99814	0.2
71.01384	6.8
72.16792	0.2
72.99308	4.5
73.02945	3.5
75.00871	12.9
83.01395	0.2
83.80199	0.2
85.02969	0.4
87.00879	100.0
88.01210	1.3
88.26219	0.2
89.02438	2.8
91.41867	0.2
97.93004	0.2
99.00880	13.6
101.02449	3.8
103.00359	0.2
105.01940	76.2
106.02287	0.7
115.00390	0.2
117.01950	3.0
119.03511	1.2
129.01938	0.9
133.10358	0.2
135.03020	2.2
147.03014	7.7
165.04054	54.5
166.04436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0612
Annotation	6-Deoxy-D-galactose
Peak:m/z	Relative Intensity
57.03469	1.6
59.01392	1.9
60.05148	0.7
65.04729	0.8
68.86142	0.8
71.01385	14.4
71.05038	1.4
72.99341	1.3
73.02952	100.0
74.03311	1.1
75.00894	2.0
81.03455	10.4
83.01395	6.1
83.05043	4.6
87.04528	4.7
89.02454	4.1
92.65333	0.9
99.04530	20.3
101.02452	4.5
103.04027	1.7
104.92432	0.9
109.02975	0.8
119.03543	1.4
119.05074	1.0
143.03503	1.2
145.05101	29.6
158.18280	0.8
162.89363	3.9
163.06136	59.1
164.06467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	24.5
90.07900	5.8
95.50158	5.5
109.18153	6.3
116.92094	54.6
117.91927	7.4
118.92680	9.6
118.99258	100.0
119.05042	52.1
135.96021	5.3
139.63358	6.1
162.83929	26.9
162.93260	6.9
162.98341	6.0
163.11311	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.97694	0.9
69.33652	0.9
71.75687	0.8
72.00920	36.2
86.21288	0.9
87.00889	1.3
91.05546	1.8
92.10081	1.7
103.02177	0.9
103.60453	1.3
120.04559	1.0
121.02946	2.2
147.04535	100.0
148.04814	1.3
164.07181	46.3
164.89584	1.0
165.07625	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	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
52.33221	0.1
56.32932	0.2
58.78521	0.1
59.01378	0.2
64.62998	0.1
68.62024	0.1
72.63290	0.1
78.28048	0.1
86.16267	0.2
87.66188	0.1
91.05553	0.2
92.05078	0.2
93.03457	1.4
101.67239	0.2
119.05020	100.0
120.04581	0.4
120.05346	2.8
135.04529	0.2
135.84789	0.2
162.89287	0.2
163.04005	6.5
163.06090	0.3
164.04411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10879	0.5
54.32898	0.6
57.03460	2.4
59.01399	2.8
71.01384	13.6
71.05037	3.6
72.99326	1.4
73.02948	100.0
74.03286	1.4
75.00889	1.2
81.03457	11.3
83.01403	6.5
83.05038	4.2
84.02188	0.6
87.04537	3.3
89.02457	3.2
98.69202	0.6
99.04520	19.5
100.69896	0.6
101.02461	4.9
117.05571	1.4
119.05044	2.6
143.03491	2.3
145.05080	28.6
145.89133	0.9
146.05415	0.6
162.89354	20.7
163.06137	56.2
164.06467	1.0
165.68871	0.7
178.28607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
55.13357	1.7
57.03458	100.0
57.46603	1.9
59.01388	70.3
59.01650	3.2
69.03460	2.5
71.01392	40.1
71.05037	13.5
71.74194	1.9
72.14053	1.9
72.99326	3.5
73.02940	24.4
75.00902	2.0
81.03458	4.9
83.01382	15.3
85.02959	59.1
87.00888	10.9
89.02462	11.7
95.01383	4.2
99.04517	87.7
101.02441	45.6
101.03004	2.8
113.02486	9.0
115.04022	11.4
117.01816	2.2
117.05539	15.5
117.71940	2.3
131.03493	31.7
143.03500	26.7
160.89375	2.4
161.04572	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.03865	0.4
59.01391	0.7
64.34903	0.5
68.94525	0.4
72.84001	0.5
75.81519	0.5
91.05532	1.9
93.03495	0.9
98.35918	0.5
119.05043	100.0
120.05360	2.8
121.02968	1.1
123.04631	0.5
135.04559	9.8
162.89343	0.6
163.04034	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89549	0.3
59.01385	0.7
67.54993	0.3
71.01395	0.4
76.57185	0.3
79.64806	0.3
89.08292	0.3
90.24404	0.3
101.02456	0.4
114.38232	0.3
119.05026	100.0
120.05375	3.1
135.04538	0.8
140.76407	0.3
162.83904	0.6
162.89349	0.7
163.02928	0.5
163.04047	8.0
171.00494	0.4
180.96814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.02125	0.7
57.03455	1.2
59.01392	7.0
71.01380	5.9
71.23965	0.7
73.02954	5.0
77.03998	0.8
83.01398	2.5
85.02945	8.0
92.10872	1.1
101.02451	2.8
105.03476	3.8
113.02444	0.9
115.01865	0.7
131.03499	2.8
132.02165	11.4
133.02953	100.0
134.03290	1.3
160.89261	1.0
161.02451	63.3
161.04582	2.7
162.02838	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	161.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98863	1.8
55.01894	4.0
57.03458	41.3
58.00611	2.8
58.11758	2.1
59.01105	4.1
59.01388	88.9
60.59188	1.9
64.08794	1.8
69.03446	4.3
71.01389	92.0
71.05033	15.2
72.99313	8.9
73.02953	49.3
73.27321	2.0
75.00877	2.2
78.66801	1.8
81.03467	11.5
83.01401	19.6
84.02179	2.8
85.02451	4.3
85.02961	100.0
87.00874	30.9
87.04519	2.3
89.02448	24.3
95.01392	10.9
96.50324	2.0
97.02966	2.4
99.00901	3.2
99.04523	48.9
101.02437	34.7
113.02460	25.6
115.04033	4.6
117.05588	10.0
131.03490	37.9
143.03477	20.1
161.04607	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	2-Oxoadipate
Peak:m/z	Relative Intensity
55.01899	5.9
57.03459	61.5
57.97585	1.7
58.02989	15.6
58.03788	1.4
59.00584	1.2
59.01384	13.2
68.05066	10.5
69.03465	11.9
70.02995	2.2
70.98352	3.6
71.01395	10.3
71.05023	13.4
72.04553	1.5
72.18304	1.2
72.99309	3.5
73.02967	1.7
74.00708	1.5
74.02475	30.1
83.01414	3.2
84.04561	6.3
85.02954	34.9
87.00891	2.5
87.04501	2.3
88.04047	40.0
97.02954	40.0
98.00712	6.5
98.02480	15.8
98.06118	5.0
99.00895	6.6
101.02441	5.5
103.58745	1.5
111.00895	1.5
112.17049	1.4
113.02460	14.3
115.00386	1.9
115.04014	32.3
115.92153	1.7
116.03554	11.5
116.94012	3.1
118.05077	2.7
130.05098	9.3
131.03531	2.6
141.01942	10.8
142.89148	3.0
158.89308	38.5
159.03012	100.0
159.89403	79.8
160.06157	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	159.1027
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
54.25240	0.5
54.31813	0.4
72.91785	0.4
73.02966	0.7
83.05051	1.9
86.07270	0.5
92.10088	0.9
93.52972	0.5
99.92613	0.5
111.08160	0.6
113.09739	20.6
114.10123	0.7
114.94865	0.5
116.92870	3.5
127.04038	4.3
141.09235	0.7
151.75368	0.5
157.08748	2.4
159.03111	0.5
159.10284	100.0
159.89461	0.6
160.10632	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	160.0615
Annotation	beta-Alanopine
Peak:m/z	Relative Intensity
54.82761	0.6
56.05054	0.4
57.03457	7.4
57.97130	0.4
58.02985	13.7
59.01388	5.1
70.03000	2.8
71.01373	5.0
71.05024	0.9
72.04565	1.0
72.99337	0.4
73.02967	2.3
74.02475	23.6
84.04555	20.1
85.02985	3.1
86.06130	0.8
87.00385	0.7
87.00880	7.2
88.04044	100.0
89.04369	0.7
91.56307	0.5
95.64240	0.5
98.02493	9.2
98.03185	0.7
98.06116	10.5
99.00899	0.7
99.04558	0.6
101.02463	1.0
112.04067	1.3
114.05675	1.1
116.03570	5.0
118.05122	7.2
130.05106	19.5
131.03456	0.8
142.05141	0.9
159.37779	0.5
159.89384	3.2
160.06169	22.0
160.89284	3.7
161.04587	0.6
173.26756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1286
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
59.01395	22.3
64.84367	3.0
74.95777	3.0
82.24479	3.6
92.10709	5.1
97.06613	7.4
109.02958	100.0
110.03302	3.9
150.51891	3.5
152.35951	3.8
153.01920	28.0
153.12878	47.3
153.86868	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0147
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
54.06698	0.3
59.01380	0.8
65.99857	1.4
107.01372	0.6
115.41750	0.3
123.00884	12.8
124.00740	0.6
124.01663	28.0
154.01476	100.0
155.01826	1.8
165.09840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09503	0.3
59.01388	5.6
63.50759	0.3
65.78735	0.3
71.01397	0.6
73.02958	0.7
84.93895	0.3
85.02969	0.6
86.95435	3.6
87.00840	0.4
97.34393	0.3
99.92590	37.8
100.92601	1.7
101.02471	0.4
102.13398	0.4
109.82969	0.4
111.00880	0.6
114.94938	25.9
115.92061	0.6
116.92867	100.0
117.92875	4.2
141.86775	0.7
158.84679	2.2
158.89316	1.9
158.92709	0.7
158.93929	12.2
159.84561	0.5
159.87968	0.4
159.89355	1.7
159.93993	0.6
176.64516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07177	0.2
56.56668	0.2
61.78691	0.2
64.21384	0.2
66.98397	0.2
78.03510	1.2
106.03029	0.4
107.03789	5.8
109.02972	0.3
121.02960	0.5
122.02391	0.9
122.03757	29.5
123.04102	1.0
152.03561	100.0
153.03917	2.8
156.36969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
51.68991	0.7
54.83256	0.8
62.39023	0.7
62.47120	0.6
65.52392	0.6
74.27570	0.6
84.79501	0.6
92.10107	0.8
122.03740	44.0
130.22813	0.7
144.32663	0.7
152.03543	100.0
153.03915	1.1
173.51123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
53.52153	0.4
58.36833	0.6
62.87675	0.4
65.03976	18.5
65.61146	0.4
67.01902	8.6
81.71391	0.5
85.69599	0.4
91.01912	6.0
102.33418	0.5
108.02244	0.6
109.02975	100.0
110.03288	1.8
123.83913	0.5
135.00900	28.3
153.01965	68.8
154.02293	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	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.79023	0.3
51.91135	0.3
53.21418	0.3
57.92776	0.3
59.01379	2.9
80.80447	0.4
95.01389	0.4
103.20064	0.4
108.02174	7.3
136.01665	100.0
137.02023	4.6
151.04007	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	151.0402
Annotation	2-Hydroxyphenylacetic acid
Peak:m/z	Relative Intensity
59.01385	1.7
61.36066	0.8
65.00282	0.9
65.03963	13.4
66.04346	0.8
66.39986	0.8
88.39343	0.9
91.01888	19.3
91.02424	1.1
99.95297	1.0
106.61469	1.0
107.05019	12.3
109.02964	31.4
123.04536	1.2
127.39426	0.8
133.02997	2.9
135.00876	15.2
136.01651	1.4
151.04022	100.0
152.04382	2.2
153.01929	5.9
167.70192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	xylulose
Peak:m/z	Relative Intensity
50.24268	0.6
59.01386	15.7
59.01651	0.8
60.42162	0.7
63.70116	0.7
67.39689	0.8
69.03478	1.7
70.77107	0.7
71.01389	34.1
71.01777	1.2
71.41526	0.8
72.99314	1.8
73.02950	26.7
75.00871	11.0
76.30692	0.8
83.87943	0.8
85.03005	1.1
87.00896	12.5
89.02451	100.0
92.10110	2.2
95.16631	0.7
101.02472	1.7
102.55917	0.8
103.04021	14.6
104.84434	0.8
112.38120	0.9
122.12056	0.8
131.03542	9.4
135.85320	0.9
144.03313	0.9
149.04578	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	xylulose
Peak:m/z	Relative Intensity
57.31324	0.8
59.01391	15.5
69.03456	1.7
71.01385	32.2
72.99314	11.3
73.02951	27.5
75.00873	8.5
84.72939	0.8
87.00876	20.1
89.02449	100.0
101.02443	1.2
103.00399	1.3
103.04011	16.9
131.03487	5.6
133.02583	1.1
148.20122	0.8
149.00943	10.4
149.04576	81.1
150.04976	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	147.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	26.1
57.03720	1.5
59.01384	10.8
67.53092	0.9
71.01381	16.6
72.98934	0.9
72.99329	4.0
80.96143	0.9
85.02956	70.2
87.00877	100.0
88.01249	1.1
89.07874	0.9
99.00893	7.4
101.02418	7.5
101.06081	0.9
103.04010	11.2
120.11951	0.8
129.01949	28.1
147.03014	51.1
147.06651	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01889	4.0
59.01393	13.8
61.98835	65.0
66.94084	2.2
67.43906	2.2
68.99843	2.5
71.01382	87.9
78.54819	2.6
84.99306	17.4
89.02465	2.9
99.00881	42.2
101.02432	2.9
105.13603	2.3
119.05054	4.7
128.98354	4.2
147.03294	4.3
147.04544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01899	6.2
59.01403	18.6
60.94109	2.9
61.98850	5.2
68.07414	2.5
68.99830	2.8
71.01391	100.0
75.00876	4.6
76.06152	2.7
83.01389	2.8
84.99344	17.9
89.02439	3.5
97.56179	2.8
99.00883	62.2
101.02492	3.5
117.41276	3.0
128.98283	3.1
147.03043	5.2
147.04520	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	18.7
55.01877	4.3
59.01388	33.3
68.99823	4.4
71.01385	54.6
80.99854	3.6
85.02981	6.0
87.00902	16.1
96.99316	20.2
100.04063	14.2
101.04408	20.2
112.98833	19.5
113.02480	4.8
115.00372	8.3
120.90474	3.3
124.98811	57.6
140.98364	4.7
141.53027	3.1
142.99889	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	145.0142
Annotation	Oxoglutaric acid
Peak:m/z	Relative Intensity
57.03456	32.4
59.01382	2.3
59.10641	1.5
62.46099	1.4
71.01372	2.6
73.02928	15.2
83.01428	3.3
87.00887	2.7
95.90110	1.4
101.02446	100.0
102.02771	1.6
115.00377	3.1
127.00356	1.8
144.96510	3.6
145.01413	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	145.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.6
57.03450	28.4
69.91389	0.9
71.01375	1.7
71.43813	0.9
73.02933	15.0
82.59180	0.9
83.01375	2.2
86.01410	0.9
101.02438	100.0
102.02788	1.7
145.01411	8.9
160.27728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.087
Annotation	7-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.09109	0.3
52.66865	0.3
54.82843	0.5
57.34282	0.4
58.68183	0.3
59.01384	100.0
60.01728	0.4
71.63137	0.3
131.01772	0.4
145.08708	18.3
146.02448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	Citramalate
Peak:m/z	Relative Intensity
57.03455	26.1
57.03720	1.5
59.01384	10.8
67.53092	0.9
71.01381	16.6
72.98934	0.9
72.99329	4.0
80.96143	0.9
85.02956	70.2
87.00877	100.0
88.01249	1.1
89.07874	0.9
99.00893	7.4
101.02418	7.5
101.06081	0.9
103.04010	11.2
120.11951	0.8
129.01949	28.1
147.03014	51.1
147.06651	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	147.03
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82815	0.9
57.03456	20.3
59.01379	10.5
59.41121	0.8
70.92276	0.9
71.01378	12.8
72.99310	1.4
78.24505	1.0
80.96130	0.9
85.02949	58.8
85.03458	2.1
87.00874	100.0
87.36340	0.9
88.61208	0.8
89.11871	0.9
99.00885	7.3
101.02447	4.8
103.04023	9.0
129.01947	20.7
147.03008	47.6
148.03326	1.0
153.88087	0.9
154.85193	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	147.0301
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
55.01899	3.8
57.03455	9.1
59.01390	31.3
59.01697	1.3
60.52422	0.9
62.00073	1.1
71.01384	100.0
71.05034	5.3
72.01759	1.1
72.99310	43.4
83.05051	1.0
85.02982	4.9
87.00883	25.5
90.85425	0.9
95.85938	0.9
99.00883	12.7
101.02452	1.1
101.06102	14.9
125.65730	1.1
129.01933	9.4
138.84029	0.9
147.03014	1.7
147.06645	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99538	0.3
58.94226	0.3
60.56263	0.3
72.30250	0.4
84.08207	0.5
87.04521	0.5
88.04048	3.6
91.49948	0.4
105.01327	0.4
113.93044	0.4
129.72505	0.4
130.08745	100.0
131.09132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01395	1.3
63.41018	0.6
63.61506	0.5
71.01383	66.7
72.99313	14.0
76.64178	0.6
87.00899	1.4
89.02441	6.2
104.00723	0.7
115.00377	100.0
116.00788	0.8
121.67284	0.6
133.01436	28.8
134.68527	0.6
140.17946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32743	0.6
59.01375	1.3
64.97815	0.5
71.01381	65.2
72.01723	0.7
72.99309	15.5
87.00905	1.0
89.02436	7.9
115.00372	100.0
116.00720	0.7
133.01437	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	134.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27185	0.6
71.01379	0.8
72.01737	3.3
75.00845	0.8
92.02547	4.5
92.65112	0.8
99.92577	1.5
107.03648	22.9
116.00704	6.0
127.83752	0.6
134.04724	100.0
134.86578	7.4
134.89474	43.3
135.04425	6.9
137.54781	0.6
144.56232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14721	0.3
59.46599	0.3
74.96046	0.4
75.76540	0.3
75.98483	0.3
92.02678	2.0
92.94173	0.4
93.03454	27.4
94.03786	0.4
95.01374	1.8
108.02188	8.4
120.02160	0.7
135.04530	100.0
136.04823	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	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48018	0.2
54.93504	0.2
57.26409	0.3
65.03973	0.3
72.93893	0.3
81.03465	2.3
82.10729	0.3
91.01898	0.4
93.03462	24.4
108.02177	3.6
109.02983	2.2
119.01370	1.1
136.01674	7.3
136.33426	0.3
136.89185	0.4
137.02458	100.0
138.02821	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	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
57.57889	0.2
58.62666	0.2
65.03976	0.4
78.34891	0.2
85.00583	0.2
90.31137	0.2
93.03461	100.0
94.03814	2.1
115.72746	0.2
127.65934	0.2
132.58498	0.3
137.02457	22.4
138.02821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21881	0.3
65.03967	0.6
65.49339	0.4
81.03482	1.8
91.01916	0.5
92.10176	0.6
93.03458	65.2
93.07080	0.4
94.03812	0.8
100.96461	0.4
101.27545	0.4
105.62749	0.4
108.01549	0.5
108.02166	3.3
108.02841	0.4
109.02975	3.2
114.58149	0.4
119.01406	0.8
136.01663	7.2
136.89217	0.9
137.02452	100.0
138.02780	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
61.70039	0.3
69.25748	0.4
71.60721	0.4
81.07531	0.4
94.54079	0.4
108.02187	46.9
114.39513	0.5
138.01982	100.0
139.02333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
57.03445	0.6
58.02985	14.1
59.01386	4.6
60.01707	0.6
69.16891	0.4
70.12756	0.4
71.01378	5.0
71.05027	0.6
71.40427	0.3
75.14019	0.3
85.02940	0.8
96.99322	0.8
98.06129	12.9
99.04517	0.8
100.04053	100.0
101.04397	0.9
112.98811	0.9
124.98805	2.9
128.61076	0.4
142.04074	1.8
142.05096	8.0
142.99896	6.8
143.03503	0.7
163.87445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
52.61049	1.2
53.23462	1.0
53.95008	1.1
54.54100	1.0
55.01897	13.3
56.77561	1.2
57.03459	68.1
59.01410	1.5
59.94341	1.2
62.51671	1.2
67.01898	100.0
71.01398	8.6
72.99321	2.6
73.02965	1.8
79.12602	1.2
85.02959	23.1
89.95010	1.2
103.05540	1.2
113.92607	1.8
128.90169	5.9
129.01932	10.8
131.73734	1.3
135.71236	1.2
142.28537	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	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
52.38597	3.9
55.01896	8.2
56.17881	4.2
57.03459	25.2
59.01380	10.4
64.94894	4.9
65.85211	3.7
67.01931	5.0
67.20173	4.0
71.01380	7.3
72.99338	4.8
73.02966	5.7
83.05049	7.8
85.02962	59.4
87.01560	4.5
88.89515	5.6
92.10139	4.5
99.55754	4.3
106.42159	3.9
128.90172	32.7
129.01939	22.0
129.05577	100.0
130.08739	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.95632	1.0
57.38891	1.1
59.01407	1.6
66.39606	1.2
68.52256	1.2
93.03465	1.9
107.43135	1.4
111.98487	1.3
121.02956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67742	2.2
52.26266	2.3
55.01884	12.6
57.03455	60.7
59.71627	2.5
64.41260	2.1
67.01894	100.0
68.99829	4.6
71.01388	5.3
71.04295	2.3
73.02954	2.5
85.02952	99.5
85.03460	4.4
88.04053	5.7
88.50624	2.3
96.62372	2.4
106.05611	2.5
129.01929	20.9
130.08719	32.9
138.64243	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	129.0193
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01667	1.2
55.01878	10.9
57.03453	32.5
67.01893	50.8
68.99805	1.4
71.01383	5.2
73.02946	1.4
76.68182	1.2
83.01395	2.4
84.61916	1.1
85.02953	100.0
87.00922	1.2
87.92373	1.2
88.04045	8.3
88.98407	1.1
95.12663	1.2
101.02448	1.5
103.68317	1.2
111.00885	1.9
113.92661	2.4
129.01959	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
67.42571	0.1
68.89990	0.2
71.03778	0.1
75.39467	0.1
76.20188	0.2
79.20687	0.1
80.84396	0.2
81.27157	0.1
91.01897	0.6
92.02680	0.2
93.03461	1.5
95.01408	0.2
98.05175	0.1
108.02199	1.9
111.21573	0.1
120.02140	0.2
121.02967	100.0
122.03310	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	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
56.89805	1.6
66.85261	1.8
68.83145	1.6
72.70650	1.9
121.02952	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	1197.6567
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05051	1.8
85.02978	0.5
92.62777	0.3
105.01934	0.6
111.04512	0.5
186.10622	0.4
203.51950	0.4
225.09206	3.9
226.10030	0.5
293.84015	0.4
321.18631	0.8
337.18188	3.7
353.21301	0.9
449.45004	0.4
481.26038	4.5
482.26263	0.6
497.29187	100.0
498.29398	3.1
515.30212	44.8
516.30664	0.9
531.29443	0.7
575.32306	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	1197.661
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05011	0.8
105.01932	1.0
155.10762	0.9
225.09186	3.4
316.23279	0.7
321.18716	1.2
337.18137	2.8
481.26120	3.4
497.29196	100.0
498.29572	3.0
515.30164	53.2
516.30334	1.2
531.29553	1.0
575.31885	3.0
662.01202	0.8
891.03876	0.9
1037.22070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
86.71129	5.2
88.99036	5.4
182.53886	7.3
204.70673	5.8
326.02155	6.4
379.63675	7.2
497.29196	54.2
515.30176	39.0
611.30267	100.0
794.12317	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	1187.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
91.93871	11.0
94.54276	11.6
102.14275	12.0
108.25526	11.6
128.03752	11.3
139.18422	11.3
164.13506	12.6
169.38051	15.1
191.05746	19.9
342.61966	17.6
351.85574	15.2
497.29224	24.1
515.30383	11.9
611.30402	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	1187.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96033	33.5
99.67087	20.3
183.08575	21.4
183.11845	18.9
191.05632	29.1
201.36880	23.2
257.30826	20.2
259.72913	23.3
303.72232	21.7
325.76447	18.2
401.57791	22.9
416.97620	25.3
455.77029	21.1
465.40512	22.3
481.70749	22.6
493.31686	23.7
497.29187	100.0
515.30249	43.5
611.29950	83.1
788.91650	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	1187.6288
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10120	13.8
98.63638	3.6
99.73062	3.8
111.68494	3.9
136.82475	4.3
152.80957	4.0
182.45273	4.0
429.24500	4.1
445.85522	4.3
497.29279	67.3
515.30237	42.4
611.30084	100.0
615.58844	4.3
1066.10962	4.2
1129.17029	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	1177.7771
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02429	0.5
109.06589	0.9
163.11308	1.6
207.10249	5.9
225.11301	2.1
235.08208	0.5
253.09468	0.7
277.21750	14.0
443.19333	0.5
455.35413	100.0
456.35791	3.0
461.20825	0.5
508.16058	0.5
513.30817	0.6
590.04443	0.5
690.89087	0.4
703.41669	0.8
721.41760	10.2
1033.57739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05027	10.5
84.02167	0.4
85.02945	2.4
88.31609	0.2
93.03455	6.1
93.04017	0.3
95.01381	4.3
95.05052	0.2
95.42540	0.2
99.04499	0.2
101.02450	0.2
105.55338	0.1
108.02184	0.2
109.02937	0.3
111.04525	6.1
121.02944	4.8
121.06559	0.3
122.03732	6.9
123.04532	2.2
149.06100	0.3
149.09718	0.3
211.07722	0.2
213.09258	0.3
219.14093	0.2
225.09233	3.5
226.09955	0.6
247.16957	0.7
249.18599	1.1
263.16565	0.2
267.19626	0.2
309.22464	0.2
315.23141	0.2
321.18622	1.0
325.21722	0.3
327.23242	0.4
335.20432	0.2
337.18173	2.8
353.21161	2.0
361.23935	0.2
371.22327	0.2
425.25305	0.2
452.91476	0.2
465.26501	0.4
467.24512	0.2
469.29727	0.7
471.31516	1.9
481.26062	4.0
482.26605	0.3
487.30542	2.4
489.28082	2.5
493.45163	0.2
497.29178	43.4
498.29504	1.3
500.28049	0.4
503.30011	0.4
515.30200	100.0
516.30719	2.4
529.28290	0.7
533.31287	27.5
534.31641	0.8
593.33453	0.4
649.39191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	0.5
89.02470	0.7
92.42146	0.4
93.03462	2.1
96.96001	0.7
107.01414	1.9
109.02966	0.6
125.02496	0.6
127.62402	0.5
132.02164	0.6
135.04541	0.8
137.02414	0.7
143.05045	0.8
151.00409	2.6
153.01991	0.6
155.10777	0.4
159.04616	0.6
161.02417	0.5
163.00375	0.9
171.04507	0.6
175.03954	0.8
183.04610	0.9
185.06107	2.3
187.03990	3.1
189.05652	0.9
191.05666	4.3
197.06078	1.0
211.04018	2.6
213.05609	2.5
227.03540	29.6
229.05081	12.0
239.03534	2.4
240.04274	0.7
241.05051	1.0
255.03026	51.7
256.03687	3.9
257.04587	6.7
275.42633	0.5
284.03296	62.6
285.04068	80.1
286.04315	1.1
327.05298	0.8
405.23752	0.5
531.33325	0.5
593.15253	100.0
594.15601	3.3
658.15723	0.7
858.84369	0.6
1131.04626	0.6
1154.91711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.6632
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03451	1.7
81.07075	0.1
83.01402	0.5
83.05025	3.8
84.02166	1.3
84.63258	0.1
85.02953	7.9
92.10736	0.2
93.03450	0.4
97.02950	13.8
98.03286	0.1
109.02940	0.4
111.04533	2.3
112.08623	0.1
119.08665	1.0
125.06094	0.2
135.08174	0.2
137.09653	0.2
137.77097	0.1
163.11349	0.1
178.53040	0.1
196.59840	0.1
224.92380	0.1
225.09222	0.1
263.16559	0.1
279.19629	1.0
309.22369	0.5
327.23215	0.8
337.18130	0.2
338.18307	0.1
345.24304	0.7
376.78973	0.1
389.23486	0.2
391.24860	0.1
407.24274	0.2
423.27487	0.5
439.28571	0.1
453.30048	1.2
471.31265	3.3
477.32028	0.2
481.25790	0.5
482.27005	0.1
489.25021	0.1
489.32303	5.0
497.29211	5.9
498.29477	2.4
499.29602	0.9
503.30496	0.1
505.31882	0.2
515.30157	2.3
516.30792	1.0
517.31030	0.6
533.31311	100.0
534.31671	2.8
535.31976	0.1
575.32440	0.2
593.33160	1.1
654.65308	0.1
995.56665	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	1167.6472
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05025	1.0
85.02967	0.9
91.97894	0.8
95.75269	0.9
101.54671	1.0
104.18474	0.9
127.72945	0.9
171.55901	0.9
176.48694	1.1
179.41158	0.9
225.09251	2.2
297.01340	0.9
337.57465	0.9
379.17526	1.0
481.26208	1.4
497.29169	100.0
498.30005	1.6
515.23132	1.6
515.30219	44.4
531.29950	3.8
575.32452	4.0
752.84607	1.2
970.90039	1.3
1121.14050	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	1169.6636
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	4.9
83.02856	0.2
83.05028	12.6
84.02187	0.9
85.02957	2.4
92.65453	0.2
93.03459	7.3
95.01382	5.0
95.05076	0.3
97.02938	1.3
108.02199	0.2
109.02983	0.6
111.04530	6.7
121.02956	5.2
121.06590	0.5
122.03735	7.2
123.04518	2.8
137.02470	0.2
149.09741	1.0
181.10092	0.2
211.07658	0.6
213.09274	0.6
221.15469	0.2
225.07227	0.2
225.09268	3.9
226.09955	0.8
231.17737	0.3
247.17084	0.6
249.18518	1.1
263.16559	0.3
267.19641	0.2
293.17572	0.2
307.20856	0.2
315.23352	0.3
321.18539	1.0
325.21771	0.9
327.23199	0.7
337.18134	3.4
338.18881	0.2
353.21368	1.9
361.23813	0.2
371.22253	0.3
439.28690	0.2
465.26883	0.5
467.24023	0.2
469.30084	0.5
471.31467	1.8
481.26038	5.0
482.26874	0.8
487.30713	2.5
489.28583	2.0
489.32791	0.8
495.27344	0.3
497.29193	47.9
498.29630	1.3
500.27789	0.6
503.30594	0.2
505.31766	0.3
515.30212	100.0
516.30591	3.2
533.31287	39.0
534.31537	1.2
575.32635	0.6
593.33472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.6477
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.8
83.01386	1.1
83.05036	3.3
84.02172	2.5
85.02949	19.2
95.08649	1.1
96.96013	2.9
98.95624	0.6
101.02419	0.7
111.04545	2.8
119.08682	1.2
121.02969	0.5
129.80954	0.6
193.12292	0.6
199.09239	0.5
220.11133	0.6
221.15329	0.5
225.09317	0.7
263.10825	3.3
299.96161	0.5
319.17218	1.1
371.22336	2.9
395.74780	0.5
452.26465	0.6
453.89362	0.5
465.23102	2.1
479.24481	16.0
480.25256	20.6
495.27637	66.9
496.28177	2.0
513.28656	46.5
529.28442	2.3
531.29510	0.7
533.31293	100.0
534.31860	2.1
547.34302	0.6
555.29590	1.9
573.30835	3.0
593.33643	4.7
674.20764	0.6
916.29987	0.7
1107.59290	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	1163.7085
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02422	0.5
89.65164	0.3
93.59599	0.3
97.06593	0.8
99.04524	1.7
101.02404	0.4
103.65034	0.3
189.45383	0.3
277.21677	2.8
324.17160	0.4
397.13580	4.2
397.31171	1.5
399.32663	0.7
409.31329	0.5
415.14502	1.4
423.32791	0.6
425.34744	3.4
441.33719	1.7
442.34497	0.6
443.35150	1.8
456.32452	0.5
469.33237	1.8
485.32849	10.5
486.33209	11.3
487.34409	100.0
488.35007	2.4
544.94720	0.3
644.26593	0.4
675.36005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05049	0.2
84.02190	0.3
84.16287	0.2
85.02952	11.6
87.00857	0.2
97.02955	1.7
97.06570	0.8
99.00873	0.3
101.02458	1.0
102.26273	0.2
108.45634	0.2
111.04523	0.3
113.02455	0.5
119.08670	0.8
125.09711	1.2
127.11268	1.6
137.09726	5.4
153.09213	0.3
155.10796	0.8
159.24020	0.2
161.04565	0.2
163.57045	0.2
171.10278	53.1
172.10614	0.4
177.12955	0.2
181.63609	0.2
183.13960	0.4
187.91008	0.2
191.05624	0.2
196.28641	0.2
201.11340	3.3
209.11996	0.3
211.13446	3.8
213.11391	0.2
221.11818	1.0
229.14439	2.6
234.26196	0.2
239.12932	1.0
291.19739	1.5
298.06152	0.2
309.20773	0.3
327.21817	100.0
328.22220	2.4
677.34985	0.3
831.79504	0.2
839.41077	3.1
1032.52991	0.3
1107.59509	1.4
1209.59766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.7156
Annotation	Unknow
Peak:m/z	Relative Intensity
87.94022	0.3
88.40263	0.2
89.02461	0.7
92.70180	0.3
101.02450	0.6
174.88780	0.3
179.05624	0.3
194.25963	0.3
277.21841	2.4
364.90070	0.3
391.30725	0.3
397.13568	5.7
407.33282	6.2
415.14816	2.1
427.31711	0.5
441.33914	0.4
453.33450	0.5
470.33932	0.3
471.34888	100.0
472.35199	2.9
675.35840	2.0
960.08881	0.3
1177.53784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95736	5.0
80.96516	2.0
83.01384	0.2
85.02965	0.6
87.00880	0.6
92.10102	0.1
95.01325	0.1
96.96009	37.4
98.95589	0.1
101.02449	1.7
101.98866	0.1
113.02463	0.7
114.38233	0.1
116.53178	0.1
122.97550	0.2
137.96303	0.6
138.97084	3.0
150.97095	0.8
166.96552	0.7
178.59782	0.1
180.98082	0.2
191.05580	0.2
215.18468	0.1
233.15646	0.1
241.00278	9.3
463.17276	0.1
534.92694	0.1
557.24353	100.0
558.24591	2.5
559.24774	0.8
564.64728	0.1
662.77545	0.1
765.44208	0.1
885.24402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.6516
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03480	0.7
83.05043	2.7
99.92590	0.6
111.04548	2.2
116.92852	5.6
117.92859	2.4
119.05074	0.5
121.02979	0.6
149.49217	0.5
163.04057	0.7
208.00243	0.6
225.09300	5.5
321.18570	1.0
328.80798	0.6
337.18152	4.9
346.69516	0.5
353.21155	0.6
481.25858	5.8
497.29166	100.0
498.29538	5.1
515.30200	31.5
516.30731	1.0
531.29639	2.3
557.31396	1.1
575.32489	4.0
633.37311	0.6
715.04694	0.6
717.19360	0.5
769.04401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.6535
Annotation	Unknow
Peak:m/z	Relative Intensity
82.82854	0.5
83.05037	0.9
85.02978	0.6
92.10696	0.5
99.92577	2.1
116.92854	11.6
117.92871	2.6
119.03488	0.7
120.52501	0.5
134.99400	0.5
160.13478	0.5
225.09215	3.3
226.09862	0.7
321.18607	0.6
337.18179	3.4
481.25900	5.0
482.27063	0.7
497.29184	100.0
498.29657	2.2
515.30200	43.1
531.30096	1.1
557.30359	0.7
575.32422	5.3
629.39404	0.6
635.24524	0.7
1073.07605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.6961
Annotation	Unknow
Peak:m/z	Relative Intensity
83.19504	0.4
89.02461	0.9
89.48534	0.4
99.15469	0.4
101.02492	0.7
110.42154	0.4
115.03048	0.4
126.37634	0.4
137.93300	0.4
235.08130	0.9
236.18060	0.4
277.21738	4.5
343.26492	0.9
397.13544	10.0
397.31247	0.8
415.14700	3.0
421.31296	0.5
423.32840	2.5
439.32303	1.0
441.34052	11.2
455.31720	2.5
467.31647	0.5
484.31735	0.5
485.32834	100.0
486.33398	1.8
675.35968	2.2
738.57782	0.5
885.07611	0.5
1008.17279	0.5
1165.89905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.7165
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02960	0.1
87.00919	0.1
89.02444	0.6
97.02962	0.1
101.02434	0.6
113.02458	0.3
119.03530	0.2
125.02424	0.1
131.03548	0.1
143.03535	0.1
161.04599	0.1
179.05569	0.1
200.40390	0.1
201.14845	0.1
221.06699	0.1
235.08258	0.3
277.21744	2.0
305.08929	0.1
393.31622	0.3
395.33249	2.0
397.13531	4.8
398.14178	0.1
409.31216	0.2
415.14569	1.7
425.30664	0.2
426.30844	0.1
427.32095	0.3
441.33456	0.1
469.33316	0.3
470.33679	0.4
471.34885	100.0
472.35254	2.4
675.35968	0.9
1147.71033	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	1145.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
92.43813	2.0
105.67380	1.9
132.36073	2.3
174.51149	2.4
202.69160	2.1
215.39679	2.7
287.33096	2.0
398.17166	2.4
487.34464	12.1
515.30347	2.8
569.28790	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	1147.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03473	0.4
81.77557	0.2
83.01386	2.4
85.02956	9.2
86.00143	0.4
87.00874	1.8
89.02444	27.5
89.53484	0.3
95.01391	1.9
96.95999	2.0
97.02964	1.3
99.00883	11.6
101.02444	23.9
111.00892	0.4
113.02457	11.2
115.03995	0.6
119.03517	2.6
119.05066	0.3
125.02464	3.1
131.03510	4.5
143.03523	1.6
146.41115	0.3
149.04570	14.8
159.03023	1.6
161.02469	0.3
161.04572	6.0
173.04610	0.4
191.05612	7.1
207.60667	0.3
221.06667	2.1
233.06721	1.3
251.07796	2.3
255.03085	0.4
271.20847	0.3
284.03296	0.5
291.23383	1.6
293.08762	1.2
309.24463	0.4
311.09872	2.0
319.22800	0.3
329.56720	0.3
349.23904	16.7
391.24762	0.3
449.14890	0.3
503.25134	7.3
511.29190	7.1
567.50470	0.3
568.05597	0.2
593.15082	0.4
627.24677	1.2
643.33527	100.0
644.33881	3.9
1177.85535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	1.9
83.69227	0.8
84.87222	0.8
85.02956	8.3
87.00867	1.2
89.02440	100.0
93.03471	1.3
96.96035	1.2
97.02939	1.5
99.00257	2.0
99.00877	44.5
99.01524	1.6
100.03986	0.8
101.01783	1.5
101.02444	37.2
113.02454	12.7
115.04063	1.2
117.72532	0.9
119.03478	3.6
119.97213	0.9
121.02913	1.0
125.02425	4.7
131.03500	12.7
143.03511	2.2
149.04562	52.1
152.97720	0.9
161.04543	5.0
173.04596	1.3
191.05621	22.8
221.06717	7.4
251.07657	4.6
253.91162	1.0
293.08746	4.0
311.09802	8.4
330.07358	1.0
466.98761	1.0
503.25012	7.4
553.26660	5.0
571.26794	1.2
583.26752	1.3
623.30786	48.5
623.41095	1.7
624.30981	1.1
629.60303	1.1
641.32001	34.5
652.95099	1.2
787.78198	1.2
837.17340	1.1
973.43896	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	1143.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
109.82212	17.6
120.64170	20.5
132.42697	17.6
144.16838	18.4
189.09564	17.4
191.05643	44.3
199.39125	19.4
211.29482	19.6
256.26419	19.2
287.79199	20.9
438.44601	20.6
507.21472	19.1
569.28882	100.0
734.51752	18.9
779.58826	17.5
1066.75256	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	1145.5752
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	4.7
85.02953	13.9
87.00868	2.0
87.31564	0.3
88.38973	0.3
89.02442	51.0
93.03419	0.4
95.01385	1.9
97.02950	2.4
99.00877	25.1
99.04506	0.3
101.02441	41.6
111.00918	1.2
113.02454	18.7
113.03253	0.6
115.03999	2.1
119.03505	4.1
125.02444	6.4
129.01921	0.5
129.05612	0.3
131.03502	8.2
143.03499	2.6
149.04567	15.7
151.60759	0.3
158.23788	0.3
159.02982	2.2
161.02530	0.4
161.04562	11.2
173.04443	0.4
179.03439	0.3
191.05635	8.2
209.15489	5.0
221.06668	1.8
233.06636	2.3
251.07722	2.4
266.27887	0.4
293.08768	1.5
311.09848	1.4
329.21292	0.5
371.20758	10.7
387.30020	0.3
503.25082	100.0
504.25537	2.7
509.27628	0.5
553.26392	3.2
569.57495	0.3
583.27734	1.6
623.30847	44.3
624.31329	1.9
641.31921	30.8
642.32825	0.3
966.60559	0.4
1032.34033	0.4
1032.56665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02982	1.5
85.93438	0.3
86.74903	0.3
96.96030	0.4
113.81534	0.3
119.08649	0.3
124.55740	0.3
127.37270	0.3
176.20305	0.3
191.05603	0.3
276.20581	0.3
305.71939	0.3
369.20743	0.6
385.20129	0.6
387.21796	2.2
549.30774	2.8
550.31335	0.4
585.28503	100.0
586.28699	1.5
821.40839	0.3
1002.04822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.6534
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05556	0.1
81.03455	1.3
81.07101	0.3
83.01387	0.4
83.05031	3.7
84.02163	1.5
85.02955	8.5
92.10825	0.1
93.03465	0.4
97.02949	14.8
109.02982	0.6
109.06598	0.1
111.03809	0.1
111.04529	2.6
119.08665	1.2
125.06078	0.4
129.05496	0.1
133.10284	0.1
135.08144	0.2
137.09659	0.1
151.11263	0.1
153.05557	0.1
166.51190	0.1
181.12341	0.1
193.12323	0.1
200.44125	0.1
245.15488	0.1
247.16896	0.1
261.18570	0.3
263.16400	0.1
279.19681	0.8
309.22327	0.3
327.23358	0.8
345.24521	0.5
349.23770	0.1
371.22296	0.1
389.23419	0.1
391.24979	0.1
407.24371	0.3
423.27710	0.4
439.28610	0.1
453.30215	1.1
471.31250	2.7
477.32175	0.1
489.32330	4.8
497.29434	0.3
503.30594	0.1
505.31516	0.5
515.30188	0.6
533.31317	100.0
534.31543	2.3
593.33234	1.2
809.13354	0.1
833.71497	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	1131.6992
Annotation	Unknow
Peak:m/z	Relative Intensity
80.24264	0.1
88.54790	0.1
91.05466	0.1
93.03484	0.5
97.06585	0.5
102.19715	0.1
103.19328	0.1
117.03462	2.2
119.05021	58.0
120.05335	0.3
121.02928	0.2
131.05000	0.2
132.05806	1.7
133.02907	0.1
145.02957	4.2
147.04495	0.1
163.04015	73.8
164.04367	0.6
165.02437	0.1
175.03964	0.1
199.81294	0.1
211.52632	0.1
277.21820	0.2
302.88956	0.1
373.25406	0.1
389.28311	0.2
391.30054	1.5
405.31732	0.8
407.33307	1.2
423.28986	0.5
437.30328	0.3
453.33807	37.4
454.33893	1.0
459.89349	0.1
617.38586	100.0
618.38861	3.5
639.37457	0.1
960.65100	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	1125.7315
Annotation	Unknow
Peak:m/z	Relative Intensity
82.15189	0.3
85.02935	0.5
87.00875	0.7
89.02435	4.2
92.10796	1.0
97.02985	0.5
101.02435	4.3
101.89787	0.3
103.55241	0.3
113.02444	1.5
119.03522	1.3
125.02432	2.1
143.03493	0.4
161.04498	0.4
176.23683	0.4
179.05586	0.6
214.55801	0.4
221.06538	0.4
235.08264	3.2
255.23302	14.4
287.07767	0.4
291.73010	0.4
305.08911	0.7
340.05167	0.3
379.82092	0.4
397.13531	24.3
415.14630	6.4
423.33023	0.3
471.34851	100.0
472.35150	2.3
653.37604	10.5
1125.71265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.61
Annotation	Unknow
Peak:m/z	Relative Intensity
87.36813	16.8
111.00911	20.1
156.46465	16.4
227.21970	15.6
355.19067	16.1
371.94998	17.2
419.01764	16.9
497.29086	35.3
515.30457	34.3
551.28088	27.4
611.30115	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	1127.6515
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05047	2.7
85.02959	6.7
89.27540	1.5
92.10110	3.8
93.03438	2.1
96.96021	3.8
99.04514	2.9
101.02466	2.1
102.96243	1.9
109.03004	3.1
127.04047	9.5
135.04524	2.4
144.60857	1.7
161.02438	2.6
191.05608	8.1
218.55351	1.7
235.38950	2.0
272.96558	1.8
373.23856	13.4
491.02795	1.9
531.29761	2.7
533.31299	100.0
534.31757	3.9
593.33545	35.7
801.96130	2.1
958.54999	2.1
970.75098	2.6
984.67676	2.1
1127.54468	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	1127.6526
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03477	1.3
83.01402	1.0
83.05032	3.0
84.02168	2.2
85.02953	18.8
93.03478	0.3
95.08662	1.4
109.06578	0.2
111.04555	2.3
119.08653	2.1
128.04776	0.2
133.10201	0.2
135.08195	0.2
135.78081	0.2
137.09734	0.6
151.11313	0.2
163.11292	0.2
164.04799	0.4
165.21951	0.2
178.06377	0.3
181.12372	0.4
193.12372	1.6
221.15511	0.3
273.18735	0.2
295.79013	0.2
305.17493	0.3
327.19604	0.2
327.23111	0.5
331.50516	0.2
345.24429	1.3
371.22415	3.7
415.20044	0.2
489.32526	0.8
515.30200	0.2
529.92810	0.2
531.30115	0.4
532.30090	0.4
533.31311	100.0
534.31573	2.8
593.33429	4.8
751.76813	0.2
877.26208	0.2
926.20459	0.2
1074.63843	0.2
1093.97937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.7679
Annotation	Unknow
Peak:m/z	Relative Intensity
92.54210	0.4
94.20690	0.4
103.38669	0.3
119.40405	0.4
140.32709	0.4
154.79193	0.4
258.84180	0.4
455.35425	100.0
456.35703	1.8
479.50043	0.5
610.42822	0.4
639.32373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.6355
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01418	3.4
83.05036	4.8
85.02969	16.5
89.27120	3.4
91.30325	3.2
92.10123	8.1
96.96030	4.2
98.25578	3.9
99.04489	5.7
101.02423	4.7
109.02972	6.6
127.04014	26.5
180.50262	4.0
191.05598	17.2
213.39449	3.7
252.32196	3.2
300.77509	3.6
371.22354	15.3
373.23557	4.8
513.28430	6.7
531.29700	84.6
533.31213	100.0
563.28156	4.3
589.38715	3.6
591.31799	33.0
593.33307	19.5
656.76038	4.6
683.00940	4.0
831.00922	5.0
1125.51355	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	1123.6211
Annotation	Unknow
Peak:m/z	Relative Intensity
78.29818	1.1
81.03477	7.6
83.01425	5.1
83.05044	6.1
85.02953	17.0
89.02463	1.6
95.01393	1.3
96.95920	1.2
99.00912	5.2
99.04520	7.6
101.02431	2.5
108.02220	1.8
109.02946	10.0
127.04012	17.4
127.77551	1.2
128.00179	1.4
145.05070	6.2
147.66327	1.3
161.06128	1.6
191.05640	2.6
371.22314	20.4
483.27594	1.6
513.28558	8.0
529.27698	1.7
531.29694	100.0
532.30060	2.3
545.27936	4.8
563.28809	13.1
591.31915	57.4
1063.54028	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	1123.708
Annotation	Unknow
Peak:m/z	Relative Intensity
85.43394	0.5
87.79661	0.5
88.20775	0.5
93.03466	12.4
119.05061	2.8
121.02958	3.4
134.03783	0.9
147.04533	3.6
150.11021	0.6
151.67960	0.6
160.27260	0.7
167.09837	0.6
310.18872	0.7
334.65579	0.8
439.32117	3.6
444.46655	0.7
447.32843	3.1
449.34299	3.7
541.37109	1.4
543.38641	17.7
559.38007	16.8
587.37573	32.1
605.38641	100.0
606.38629	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	1121.7305
Annotation	Unknow
Peak:m/z	Relative Intensity
80.76463	0.2
89.03966	0.3
92.10157	0.3
107.05033	0.6
133.02950	2.8
134.03752	4.1
135.04530	39.7
136.04916	0.3
137.02414	0.6
147.04504	0.5
148.05327	5.5
161.02470	7.8
163.04063	0.2
179.03519	28.9
183.03665	0.3
212.09988	0.2
348.13721	0.3
453.33817	5.8
454.34164	0.3
633.38098	100.0
634.38452	6.9
635.38885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
80.58665	0.1
81.03457	1.1
82.15273	0.1
82.53687	0.1
83.01387	3.4
83.05032	0.7
85.02956	11.6
86.00098	0.1
87.00870	3.3
87.01365	0.2
88.50359	0.1
89.02443	21.1
93.03450	0.7
95.01385	3.2
96.96018	0.4
97.02952	3.1
99.00875	3.5
99.04520	0.2
101.02444	29.0
109.02953	0.5
111.00879	1.6
111.04497	1.1
113.02455	15.6
114.02858	0.1
115.03984	0.4
119.03503	8.6
121.02944	0.5
123.00883	0.1
124.01638	0.1
125.02445	8.1
127.03964	0.3
129.01965	0.5
131.03508	2.6
135.04539	0.1
137.02431	0.5
139.03984	0.7
140.01102	0.1
141.01935	0.8
143.03522	3.0
145.05045	0.4
149.02455	0.4
149.04529	0.7
151.04034	0.2
155.03491	0.4
159.03004	1.5
161.04568	7.9
167.03458	0.1
173.04576	0.5
177.02019	0.1
179.03456	0.1
179.03976	0.1
179.05635	2.4
185.04549	0.2
191.05557	0.3
195.06801	0.1
203.05641	0.5
221.06717	2.9
225.09233	0.1
233.06708	0.2
245.06732	1.2
263.07709	0.9
305.08853	0.2
319.16681	0.2
323.09988	1.0
337.18262	0.1
353.21112	0.5
407.11899	0.1
481.25757	0.1
485.15533	0.2
497.29190	4.8
511.29214	0.5
561.30212	0.1
573.23834	0.9
659.34570	1.1
751.92041	0.1
803.38684	0.6
821.39758	6.9
965.43951	6.0
966.42944	0.2
983.45105	100.0
984.45392	4.3
1001.46136	9.2
1001.67676	0.2
1002.46887	0.2
1019.46875	0.5
1025.46301	3.0
1043.46680	1.0
1061.48315	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	1119.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	7.8
83.01402	4.1
83.05034	10.3
85.02962	28.3
86.00088	0.9
88.01682	0.9
92.10796	2.5
99.00878	6.5
99.04523	6.8
101.02454	4.1
108.02169	1.2
109.02969	13.3
114.85129	0.7
127.04016	28.2
129.62921	0.8
145.05103	13.0
161.06049	5.2
168.98662	0.6
175.07668	3.6
177.07664	1.3
191.05597	1.0
237.08211	0.6
243.51149	0.8
287.32434	0.8
326.31760	0.8
333.18497	0.9
351.19772	3.1
369.20731	0.9
511.26932	1.6
529.28168	100.0
530.28546	3.8
795.45667	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	1119.7515
Annotation	Unknow
Peak:m/z	Relative Intensity
79.25894	0.2
89.03976	0.4
92.10134	1.1
117.03465	4.3
132.02158	0.8
133.02960	1.0
134.03740	66.1
135.04286	0.3
137.02429	2.0
138.19780	0.2
139.03993	0.5
147.04521	1.6
149.06096	6.4
160.01639	2.8
161.02431	2.0
162.06947	0.3
163.40721	0.2
175.03979	2.1
178.02731	4.9
179.03467	0.3
193.05072	65.3
194.02090	0.2
194.05421	0.9
391.30475	0.7
407.33212	1.2
453.33813	30.8
454.34210	1.1
471.35040	2.8
531.31378	0.3
607.72272	0.3
647.39679	100.0
648.40021	4.2
649.40240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
78.27060	0.1
81.03475	0.9
83.01394	4.2
83.05042	0.8
84.02188	0.2
84.39538	0.1
85.02954	13.0
87.00879	2.9
89.02444	18.7
92.10828	0.2
93.03471	1.2
95.01382	3.3
95.05036	0.2
96.96033	0.6
97.02946	2.5
99.00889	3.7
99.04529	0.2
101.02444	24.3
109.02955	0.7
111.00871	1.1
111.04539	1.0
113.02457	18.6
115.04053	0.3
119.03499	7.7
121.02972	0.2
124.01671	0.3
125.02453	3.5
127.04025	0.2
129.01958	0.2
131.03519	1.4
133.02911	0.2
135.04536	0.7
137.02460	0.5
139.00369	0.1
139.04071	0.5
141.01950	0.2
143.03522	3.4
144.38144	0.1
145.05052	0.2
149.04530	0.2
155.03503	0.2
159.03011	1.2
161.02528	0.2
161.04576	6.6
163.04010	0.1
165.01888	0.2
167.03578	0.2
173.04601	0.5
177.02052	0.3
178.02623	0.1
179.03520	0.2
179.03934	0.2
179.05640	2.2
191.05646	0.3
203.05637	0.2
213.52501	0.1
215.86395	0.1
221.06726	1.1
245.06639	0.6
251.69710	0.2
263.07843	0.6
323.09940	0.6
337.18109	0.2
348.81644	0.1
353.21164	0.3
449.14603	0.3
450.15402	0.1
497.29172	5.2
573.23956	0.8
659.34796	1.7
803.38843	1.5
821.39801	9.9
822.40045	0.2
965.43951	5.2
983.45093	100.0
984.45343	5.3
1001.46973	0.5
1025.46277	3.3
1043.47400	0.2
1061.48535	2.1
1064.59351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.7
58.78804	0.2
60.75850	0.2
61.85965	0.2
65.28227	0.2
67.01899	6.8
71.01356	0.3
78.95908	100.0
83.01393	11.8
85.02936	0.3
89.50380	0.2
102.94836	0.2
106.45290	0.3
110.97707	3.0
110.98521	4.0
111.00897	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01890	19.9
67.01892	59.4
68.30473	1.9
73.92060	1.9
78.95901	33.9
83.01386	44.8
85.02944	2.0
92.10207	2.3
92.61123	2.0
111.00883	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	1113.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01419	0.9
85.02963	4.2
87.00878	2.3
89.02445	20.0
93.03465	0.2
95.01379	1.7
96.96024	0.4
99.00912	0.7
101.02448	11.5
109.02935	0.3
112.35772	0.1
113.02457	7.4
119.03502	6.9
119.04959	0.2
123.00912	0.8
124.01658	3.3
131.03487	1.1
131.04997	0.2
137.02510	0.3
138.03252	0.9
139.04022	5.2
143.03523	1.2
147.04611	0.2
149.04565	1.3
151.00383	2.8
151.04053	0.3
152.01180	1.0
153.05602	1.0
158.03745	0.2
159.04498	1.3
161.02377	0.2
161.04607	1.4
161.05818	0.2
166.02724	6.4
167.03545	1.7
172.05383	0.2
173.02394	0.2
173.06087	0.8
174.03224	0.9
175.03992	1.1
176.04767	0.3
177.01883	0.3
178.02740	1.1
179.03468	0.2
179.03976	0.2
179.05624	4.9
181.05083	7.6
186.03198	0.4
187.04019	6.6
188.04825	0.9
189.05603	1.2
191.05580	1.5
192.04333	0.3
193.05070	1.3
198.33521	0.2
200.04814	0.4
201.05669	1.1
202.02753	1.4
202.06418	1.1
203.03557	2.9
203.07251	0.3
215.03580	1.0
216.04263	0.8
217.05067	2.8
218.05827	1.2
225.05669	0.2
229.04893	0.2
230.05887	0.3
231.06622	0.4
232.07454	2.8
233.08199	2.6
249.05556	0.2
251.07170	0.2
255.06641	0.2
264.04428	0.4
265.05075	1.3
267.06732	0.8
268.07306	0.3
270.08942	0.3
276.04453	0.2
277.05069	0.9
278.05783	0.4
279.06699	0.7
280.07373	0.4
281.04559	0.2
283.06244	0.7
283.09543	0.2
285.11646	0.2
291.06635	0.9
292.03894	0.3
293.04669	3.2
294.05304	0.9
294.08542	0.2
295.06097	0.8
296.07184	0.2
297.07748	0.3
298.08701	0.2
299.01926	0.2
305.04535	0.6
305.08072	0.3
306.05426	0.6
306.08780	0.2
307.06088	2.0
308.03485	0.3
308.06970	5.1
309.04205	0.5
309.07736	1.6
310.08551	0.3
311.05679	0.9
311.09271	0.3
313.10910	0.7
320.06863	0.7
321.04242	0.5
321.07605	0.9
322.04819	0.7
322.08521	2.2
323.05679	1.4
323.09308	7.5
324.06400	0.9
324.10156	0.9
325.07233	1.2
325.10681	0.3
326.07986	0.9
335.09308	0.7
336.06601	0.5
336.10022	0.2
337.07227	0.9
337.10986	1.6
338.08035	1.2
338.11685	5.2
339.05087	1.1
339.08817	3.7
339.12552	0.6
340.09534	1.7
341.10336	2.2
351.08865	1.1
352.09509	0.3
353.06689	0.6
353.10422	5.5
354.07510	1.4
354.11221	1.5
355.11911	1.0
367.11783	1.1
368.08914	0.4
368.12808	2.2
369.09772	16.9
369.13675	2.5
382.10638	0.3
383.11520	3.6
384.12234	23.6
385.12741	0.3
387.14627	0.2
399.14578	100.0
400.14978	1.4
431.17505	0.5
512.86688	0.2
579.20996	6.5
611.23602	34.2
612.24274	0.6
976.11981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
79.51223	0.2
79.95741	4.5
80.96519	2.4
85.02978	0.3
87.00894	0.9
96.96009	38.4
101.02453	1.8
113.02464	0.9
122.97562	0.2
137.96307	0.8
138.97078	3.1
150.97101	0.7
162.49109	0.2
164.98717	0.2
166.96609	0.4
191.05653	0.3
212.39401	0.2
241.00301	8.4
469.99481	0.2
557.24359	100.0
558.24695	2.1
652.24573	0.2
896.74573	0.2
1044.57910	0.2
1047.54395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.7513
Annotation	Unknow
Peak:m/z	Relative Intensity
79.10867	0.1
83.05035	0.9
97.06599	0.2
99.43731	0.2
116.88228	0.2
119.05018	5.9
120.05350	0.6
121.02950	46.9
137.09731	0.2
145.02982	0.2
163.04031	4.7
164.04318	0.9
181.05070	16.2
200.09515	0.2
262.54578	0.2
305.29910	0.1
351.26898	0.2
371.29773	0.3
389.28711	0.2
391.30045	1.5
399.32870	1.1
405.31647	0.2
407.33276	10.6
408.33362	0.4
409.31000	3.0
411.32751	4.5
423.32962	0.7
425.34311	4.5
427.30786	0.2
427.35944	3.8
441.33856	0.9
451.32407	0.2
453.33844	12.8
454.33661	0.2
459.34964	0.2
469.33133	1.1
470.33707	0.7
471.34866	100.0
472.35272	1.9
633.38361	2.4
634.38354	3.1
635.39624	31.6
636.39600	0.9
644.46368	0.2
671.21277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.628
Annotation	Unknow
Peak:m/z	Relative Intensity
114.26075	0.3
117.03468	15.0
119.05020	23.1
120.18601	0.3
121.02965	1.2
123.04449	0.3
145.02963	100.0
146.03358	0.3
149.99496	0.3
157.02690	0.3
163.04015	19.4
166.21481	0.3
176.71455	0.3
181.05087	0.4
184.95512	0.3
246.46561	0.3
265.77466	0.3
269.21262	2.2
271.36179	0.3
287.22302	9.2
371.29529	0.4
373.31021	0.6
397.13171	0.5
415.25229	0.9
415.32040	0.4
433.26053	60.6
433.33038	6.1
434.26279	0.6
471.34622	0.3
472.35199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.6085
Annotation	Unknow
Peak:m/z	Relative Intensity
76.58579	0.3
90.06506	0.3
92.10859	0.7
118.72003	0.4
146.75308	0.5
284.87051	0.4
390.96997	0.5
487.34421	0.9
491.77219	0.5
569.28931	100.0
570.29254	3.2
778.96289	0.5
826.86554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.6089
Annotation	Unknow
Peak:m/z	Relative Intensity
79.24971	1.2
79.67085	1.2
92.10840	2.7
92.65876	1.1
96.26298	1.1
96.40498	1.3
321.81442	1.2
359.92258	1.4
360.46210	1.4
569.28943	100.0
570.29694	2.3
667.12781	1.4
861.66858	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	1105.735
Annotation	Unknow
Peak:m/z	Relative Intensity
89.56498	0.9
94.63435	0.9
117.03462	1.3
119.05021	60.3
128.71373	0.8
145.02956	4.6
163.04018	72.9
174.19708	0.8
191.14452	1.0
441.33694	0.8
453.27921	1.6
453.33838	33.1
454.34506	1.5
483.95526	0.9
487.34442	19.8
542.61346	0.9
617.38599	100.0
618.39203	5.3
619.38922	0.9
1074.03369	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	1105.7365
Annotation	Unknow
Peak:m/z	Relative Intensity
79.77797	0.1
91.68429	0.1
107.05030	0.8
116.92915	0.2
117.03525	0.2
121.02969	0.2
132.02213	0.2
133.02956	2.9
134.03763	3.7
135.04529	40.2
137.02432	0.6
147.04521	0.6
148.04124	0.2
148.05310	5.1
161.02443	9.6
163.03973	0.2
178.02617	0.2
179.03506	29.8
391.30258	0.2
407.33398	0.3
441.33817	0.2
453.33826	5.6
471.34628	0.8
546.23651	0.1
550.26892	0.1
587.87311	0.2
633.38116	100.0
634.38470	2.1
1021.05664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.5767
Annotation	Unknow
Peak:m/z	Relative Intensity
83.89830	1.8
85.02956	2.2
89.02481	1.8
92.10753	4.2
101.02447	2.7
120.01909	2.0
134.34946	2.0
165.05658	2.0
191.05542	4.2
281.00232	2.1
317.17273	2.2
481.68167	2.2
567.27399	100.0
760.41998	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	1103.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
81.72301	0.8
83.01405	1.1
83.24405	0.8
85.02959	3.8
89.02441	17.8
93.03436	6.4
95.01383	1.0
96.95992	8.4
97.02966	1.7
99.00896	2.1
101.02429	5.6
108.02144	1.8
109.02921	3.8
113.02470	1.4
115.03985	4.1
118.48836	0.9
119.05017	1.2
121.02969	7.6
122.03735	11.8
123.04523	1.4
125.02443	10.7
127.03964	0.9
131.03571	1.2
132.02104	1.2
132.84662	1.0
133.02943	5.3
134.03723	8.5
135.04517	4.3
136.01651	6.8
137.02419	9.1
138.03206	1.0
145.02994	1.8
146.03725	4.0
147.04552	1.9
149.02461	42.5
149.04573	1.2
149.06020	6.9
150.03236	100.0
151.00398	3.7
151.04033	17.5
152.01114	1.4
152.04742	1.1
153.01944	1.7
153.05525	1.5
161.02409	4.5
161.06114	1.7
162.03206	3.7
163.04060	1.1
164.04784	9.7
165.05576	95.3
166.02736	11.1
167.03442	1.8
173.04527	1.6
175.04005	1.8
177.05585	3.6
179.03471	1.3
179.07133	7.4
180.04309	6.5
181.05064	14.0
184.03822	0.9
187.04051	1.3
190.02827	0.9
191.03601	0.9
191.05583	7.4
193.04933	1.3
195.05000	1.4
195.06662	25.6
205.05055	7.9
207.06509	1.3
209.45319	0.9
219.06674	1.4
220.07458	4.0
233.06648	6.4
293.08859	17.7
294.05630	1.0
315.08917	2.1
329.10324	1.6
387.10678	2.2
387.15005	1.4
402.13129	1.5
417.15564	7.1
449.14554	4.3
465.08441	1.7
535.15704	1.3
550.18292	2.0
551.19128	1.5
565.20911	19.0
595.22009	2.2
613.22974	12.6
667.24512	1.3
713.26233	16.5
725.25775	1.1
743.27295	10.0
761.28265	32.5
773.28156	3.9
791.29071	13.6
809.30261	38.1
1055.37244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05044	89.9
92.10047	70.8
92.75989	38.5
96.96017	53.7
104.78402	38.2
191.05563	100.0
274.82938	45.5
300.46552	43.7
539.64233	49.8
563.31390	47.4
564.32672	76.3
565.25427	87.5
835.51642	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.6623
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03502	1.8
82.92997	1.2
83.05052	2.4
84.43548	1.1
91.69945	1.1
92.65428	1.3
111.04538	5.5
167.03146	1.3
198.62729	1.4
237.97794	1.2
316.18536	3.0
316.68747	2.6
317.19250	5.5
317.69461	1.6
517.31805	100.0
533.32147	1.7
577.33752	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	1097.458
Annotation	Unknow
Peak:m/z	Relative Intensity
82.47541	1.2
83.01387	1.2
85.02956	9.9
87.00876	1.9
89.02443	15.5
93.03513	1.6
96.96018	1.7
97.02953	1.2
99.00895	1.9
101.02424	18.0
113.02475	11.6
119.03496	5.1
119.04988	1.0
125.02444	6.3
129.01920	1.1
131.03528	1.8
133.03003	1.4
135.04582	1.4
137.02480	1.1
161.02505	1.6
161.04507	7.2
179.05606	1.8
179.10855	2.2
191.05603	5.8
199.01601	1.2
221.06708	2.4
245.06715	1.1
261.92261	1.0
497.29639	1.7
583.96576	1.3
597.16278	1.2
625.19989	1.0
699.15997	1.2
750.76202	1.2
821.39496	2.2
935.52344	5.3
965.44336	1.8
983.45026	52.9
1001.45453	6.7
1017.44049	1.2
1097.45837	100.0
1098.45569	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	1094.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
90.74653	79.6
147.17354	72.3
234.62299	78.7
452.41519	93.8
727.86188	99.7
1127.89783	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	1095.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05044	89.9
92.10047	70.8
92.75989	38.5
96.96017	53.7
104.78402	38.2
191.05563	100.0
274.82938	45.5
300.46552	43.7
539.64233	49.8
563.31390	47.4
564.32672	76.3
565.25427	87.5
835.51642	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	5.5
85.02444	0.6
85.02954	15.8
86.00108	0.5
87.00876	22.3
89.02446	10.3
93.03442	0.5
95.01373	2.5
95.05009	1.1
96.96009	2.2
97.02946	2.4
97.06586	3.3
99.00874	5.7
101.02442	29.8
109.06606	0.3
109.12119	0.3
111.00880	3.0
113.02454	15.4
115.04015	0.6
119.03561	2.0
119.05022	0.7
123.08175	7.8
124.05260	0.3
125.02426	4.6
125.06038	0.3
129.01945	3.8
131.03488	2.3
133.02899	0.3
135.04504	0.3
135.08139	0.7
137.02467	0.3
141.01939	0.5
143.03511	1.6
153.50888	0.3
159.02998	6.0
161.04565	9.4
163.03931	0.5
163.07629	0.3
179.05774	0.3
191.05663	2.2
203.70161	0.3
233.06718	0.6
241.15996	0.4
245.15526	0.5
259.17059	0.5
269.19110	3.0
271.17120	0.4
285.18707	0.7
287.20224	10.8
291.18170	20.3
293.19016	1.4
299.20074	0.3
309.18735	0.5
313.17957	0.6
315.19788	2.0
317.21225	0.4
327.19739	2.0
329.21246	0.7
339.19629	0.3
344.19980	7.7
345.20761	46.4
346.21225	0.5
347.22305	15.9
357.20770	1.6
371.22244	0.4
399.21573	1.5
417.22897	1.7
423.22452	12.2
437.09454	0.4
453.23535	3.7
507.26062	100.0
585.27753	88.4
586.28198	1.2
726.46246	0.3
878.73633	0.3
1049.14783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02943	74.6
85.03372	3.2
86.03302	15.2
106.07379	3.6
161.06152	7.7
162.06450	5.5
175.07605	4.9
176.08047	3.7
351.19647	5.2
352.20261	6.4
475.15671	4.5
513.28595	62.9
514.28967	100.0
514.36115	6.5
515.29321	75.6
516.29669	26.5
929.34015	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	1091.6319
Annotation	Unknow
Peak:m/z	Relative Intensity
81.48848	0.7
83.05075	3.7
84.02198	0.8
108.02196	3.5
110.22562	0.7
111.04553	2.8
112.43510	0.8
129.53720	0.6
133.76965	0.7
135.87788	0.7
160.80537	0.7
183.17360	0.8
192.76323	0.7
278.26715	0.7
316.18671	3.4
316.68942	2.9
317.19376	0.8
325.21484	0.8
355.77023	0.7
371.22424	1.3
410.29047	0.9
469.30002	1.3
471.31189	0.9
497.29233	1.2
515.30225	100.0
516.30292	1.5
547.29211	1.2
767.43695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95734	3.0
80.96511	0.7
83.01386	0.1
85.02950	0.7
87.00871	0.4
87.22832	0.1
89.02451	0.3
92.10128	0.2
93.03451	1.0
95.95228	2.4
96.96008	46.2
100.01738	0.1
100.42992	0.1
101.02451	0.8
103.27901	0.1
108.02192	0.1
111.04532	0.1
113.02443	0.1
114.20329	0.1
122.97619	0.7
123.04548	0.1
133.02934	0.1
134.03745	0.1
135.04530	0.3
137.02422	0.3
137.09717	0.7
138.97072	2.3
141.95767	0.1
143.03481	0.1
150.97052	1.0
151.00392	0.3
151.97824	0.1
152.01135	0.5
152.98627	0.1
153.29382	0.1
159.04582	0.1
161.02388	0.2
164.98622	0.4
167.03522	0.5
168.98062	0.1
169.67168	0.1
173.04550	0.8
177.04051	1.2
180.98148	0.7
182.36739	0.1
187.07631	0.3
191.05630	5.1
192.05925	0.1
194.99658	0.1
198.99203	1.4
213.00684	0.1
213.09227	0.1
214.24902	0.1
222.99213	0.1
225.00769	0.5
225.76605	0.1
227.03517	0.1
231.10271	0.3
241.00232	3.0
255.02846	0.2
256.99811	1.2
257.08258	0.3
259.01318	0.5
275.09326	0.3
281.06714	0.1
284.03174	0.4
285.03693	0.2
287.05878	0.1
449.14966	100.0
450.15405	2.3
643.33807	0.3
679.31372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.7518
Annotation	Unknow
Peak:m/z	Relative Intensity
84.69598	1.8
97.02981	8.6
137.09792	3.4
168.63693	1.9
171.10245	3.4
233.15431	2.5
235.08295	4.7
251.16487	3.1
253.09332	12.8
277.21741	100.0
279.23322	63.3
291.19690	20.3
298.37100	2.5
309.20779	47.0
510.85126	2.2
750.51886	2.3
828.41174	2.3
853.88617	2.3
924.52563	2.3
925.91364	2.1
1029.46448	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	1087.7249
Annotation	Unknow
Peak:m/z	Relative Intensity
77.31738	0.2
84.65525	0.2
88.38916	0.3
93.03455	0.4
114.38590	0.2
117.03459	2.0
119.05021	49.2
145.02917	2.8
145.12915	0.3
147.04536	1.1
163.04018	57.5
163.36494	0.3
164.04324	0.4
289.21771	1.5
393.28033	2.0
407.29578	2.8
409.31122	2.1
423.32755	64.9
424.33279	0.6
425.34442	2.5
453.33807	14.0
469.33307	70.7
470.33728	1.5
573.39581	1.3
617.38580	100.0
618.38922	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	1089.7408
Annotation	Unknow
Peak:m/z	Relative Intensity
87.06161	0.2
91.99121	0.2
92.10780	0.4
93.03465	0.3
97.06583	0.5
117.03479	1.6
119.05025	56.7
120.05431	0.3
132.05817	1.3
145.02966	4.2
153.09184	0.3
163.04022	76.7
164.04327	0.5
171.29494	0.2
391.30072	1.2
405.31836	0.2
407.33249	1.2
430.42899	0.2
453.33841	33.9
454.34030	1.0
471.35040	5.7
617.38617	100.0
618.39001	3.1
619.39307	0.5
884.62292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.6181
Annotation	Unknow
Peak:m/z	Relative Intensity
78.72839	13.3
136.67896	14.6
157.85512	12.4
161.92464	12.9
175.66113	13.6
214.30592	18.0
226.99554	12.6
251.44266	13.9
501.59106	17.7
553.30060	100.0
642.27179	15.4
716.77429	19.1
910.23975	15.4
924.52838	17.6
985.67444	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	1071.6182
Annotation	Unknow
Peak:m/z	Relative Intensity
92.66209	7.0
103.74929	6.5
113.63136	7.5
136.80708	6.6
139.59622	8.0
152.61040	6.8
195.71294	6.9
357.99060	6.7
553.29279	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	1074.6163
Annotation	Unknow
Peak:m/z	Relative Intensity
74.61679	84.5
74.83189	74.7
76.57719	88.4
96.37667	80.6
97.00372	84.5
100.97350	89.2
107.40815	94.8
145.59807	76.8
274.28613	91.0
592.51917	97.1
750.34009	90.5
764.53876	97.5
1052.64929	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	1067.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
85.01575	4.0
85.27928	3.3
91.40524	2.9
92.74477	2.8
141.95244	2.9
551.27942	100.0
617.99194	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	1067.5875
Annotation	Unknow
Peak:m/z	Relative Intensity
74.20276	43.0
83.12505	55.1
88.04999	46.2
88.29961	47.5
92.10220	61.7
97.07159	51.1
98.01786	47.4
108.55482	48.0
115.68600	46.7
124.46595	55.7
146.23515	55.9
175.35338	58.0
202.98714	59.0
491.33640	100.0
551.28424	71.1
1016.26276	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.6311
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04699	1.8
81.03482	9.5
83.05019	25.8
85.02982	9.2
92.10812	4.9
93.03473	12.1
95.01422	3.2
97.02972	4.6
111.04530	14.7
116.36224	2.3
121.02971	8.7
122.03757	11.5
136.94749	2.0
191.05573	3.5
193.34714	2.4
225.09285	9.3
337.18399	3.7
353.21411	3.7
359.35931	2.4
370.27362	2.8
371.22299	2.4
435.62021	2.4
471.30991	3.4
481.26013	8.7
487.30042	3.0
488.30472	3.9
489.34583	12.6
490.34653	4.2
497.29169	79.1
515.30261	100.0
533.31329	74.3
798.89349	3.1
889.00403	2.5
929.31036	2.8
958.36609	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	1069.6476
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	7.6
82.29149	0.3
83.01389	0.6
83.05031	16.9
84.02180	3.8
85.02953	9.0
91.73189	0.4
93.03538	2.5
95.01412	0.4
95.05039	0.5
97.02965	6.3
109.03063	0.5
111.04533	13.1
118.43271	0.4
130.08736	0.6
131.90396	0.3
141.06720	0.4
143.07188	0.7
143.85753	0.4
144.53665	0.4
158.05338	0.4
184.26132	0.4
271.20682	2.0
289.21848	1.8
291.23444	2.2
317.21375	0.6
319.22842	1.6
326.44357	0.5
349.24020	3.0
373.23810	0.4
418.07654	0.5
431.00067	0.5
461.29153	2.3
463.30856	1.7
475.30658	0.9
479.30380	3.0
489.32782	0.7
493.31808	100.0
494.32202	3.5
507.33264	3.9
517.31781	79.6
518.32330	2.1
531.29688	0.8
533.31360	31.0
534.31720	9.5
535.32806	46.4
536.33099	1.4
551.32147	0.4
577.28235	0.4
600.93811	0.4
616.58105	0.4
942.89093	0.5
1034.68127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.6168
Annotation	Unknow
Peak:m/z	Relative Intensity
76.06415	0.4
81.03457	13.0
83.01425	2.2
83.05032	26.3
84.02173	8.7
84.02630	0.4
85.02954	20.8
85.87143	0.4
93.03466	6.4
95.05025	3.5
107.05056	0.7
109.02979	1.8
109.06633	2.2
111.04527	18.0
121.02984	0.5
121.06644	2.0
122.03728	4.4
123.04584	0.6
123.08200	0.7
124.49681	0.5
125.06138	0.8
128.04866	0.5
135.04535	0.6
135.08223	2.6
136.05316	1.7
137.02391	0.5
137.05997	0.4
137.09781	2.7
143.07191	0.7
149.09781	2.2
151.07739	0.9
189.72014	0.4
191.05556	0.5
221.15540	0.5
236.42857	0.4
247.17047	7.1
249.18642	2.8
263.94650	0.6
297.22049	0.5
307.20734	0.9
313.21609	1.0
315.23334	2.2
323.20309	0.6
325.21851	4.3
341.21332	0.9
343.22833	6.4
389.23450	0.9
391.24927	1.7
393.25638	0.5
427.28766	0.6
453.26663	0.6
455.27826	0.7
459.31433	1.0
469.23611	0.8
469.29745	13.8
487.30765	100.0
488.30975	2.1
501.28494	0.6
503.30124	0.6
531.29742	90.0
532.30084	1.0
533.31018	3.3
625.46722	0.5
757.13837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
74.48742	14.9
85.02963	27.7
86.10805	16.7
107.14751	17.3
116.44538	20.8
177.40399	17.3
184.16618	16.0
207.20108	16.0
355.33914	19.7
730.19354	19.3
1027.57874	22.5
1063.55969	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	1063.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
82.73555	78.2
91.83664	81.5
114.89156	86.4
123.62137	83.9
187.43503	83.7
191.05443	86.9
259.25739	98.5
921.35730	94.2
1033.44043	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	1063.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
191.05618	55.1
193.91008	42.2
206.54100	41.6
225.97037	44.2
239.44308	45.7
367.08664	48.2
487.34378	100.0
513.28448	81.0
864.29919	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
75.38403	6.1
78.56496	6.8
86.25974	7.4
94.44818	6.5
100.46125	5.9
102.32399	6.7
112.05083	6.7
119.04975	7.9
194.10735	6.3
277.21732	100.0
294.34793	5.7
445.23630	36.1
496.57413	6.7
511.11365	6.9
549.28186	95.8
552.94696	7.6
858.85583	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	1063.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
82.93531	1.7
102.80582	1.9
139.59630	1.9
277.21838	12.5
549.28455	100.0
707.15759	2.2
719.74078	2.6
1030.99768	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	1063.6733
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06606	0.2
101.02464	0.1
252.07800	0.1
279.38321	0.1
401.72137	0.1
469.33350	0.1
473.32773	0.2
487.34375	100.0
488.34665	2.0
566.26086	0.1
854.29053	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	1065.601
Annotation	Unknow
Peak:m/z	Relative Intensity
73.86169	0.1
76.15781	0.1
80.02686	0.1
81.03481	0.1
83.05037	0.9
84.02206	0.2
85.02955	3.4
85.03448	0.2
93.03491	0.1
95.04989	0.8
96.45567	0.1
97.02994	0.4
97.06589	3.9
106.04275	0.1
109.06593	0.2
110.03790	0.2
111.08167	0.1
121.50443	0.1
123.08185	0.3
125.09718	1.1
127.07624	0.1
127.11293	1.7
137.09685	0.8
141.12862	0.1
149.09868	0.1
155.10796	0.9
155.14423	0.7
163.11308	0.5
165.09225	0.1
165.12907	1.2
167.10818	0.4
167.14444	1.1
171.10278	10.4
175.11293	0.3
177.12857	1.1
181.12335	0.6
183.13902	4.6
183.15546	0.1
185.11865	1.6
193.12363	1.7
195.13882	0.2
197.11841	0.7
199.13461	0.3
201.11389	0.2
203.10803	0.7
209.11855	2.1
211.13438	26.6
212.13771	0.2
221.11870	4.5
227.12938	0.4
229.14479	17.2
230.14780	0.1
239.12944	2.6
247.20673	0.7
257.14020	0.1
273.18646	0.2
291.19702	4.0
309.20801	1.2
327.21823	100.0
328.22153	0.9
674.73120	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	1061.6573
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00886	2.2
75.56843	0.9
84.56522	0.8
91.00365	78.4
129.91428	0.9
142.96718	0.9
191.05717	1.1
214.92244	1.1
243.80884	0.9
273.59818	0.9
352.47073	1.0
369.02716	1.0
439.32263	1.9
453.33817	86.8
454.34271	2.2
485.32813	12.1
545.34937	100.0
546.34973	2.1
778.71674	1.2
830.48419	1.1
857.46539	1.1
924.61163	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	1063.498
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00856	0.3
83.01397	1.4
85.02955	5.5
87.00865	0.9
89.02447	100.0
93.03449	0.2
95.01360	0.3
96.96011	5.8
97.02946	1.0
99.00882	31.1
101.02448	35.4
113.01711	0.3
113.02465	7.6
115.04001	0.5
119.03516	2.3
125.02470	2.9
131.03510	14.8
137.09761	1.7
143.03523	3.7
149.04572	62.0
153.01846	0.2
160.01732	0.3
161.04561	5.8
191.05640	18.5
195.36157	0.3
211.41582	0.2
221.06717	12.1
227.04073	0.2
237.07784	0.5
251.07753	6.9
263.07779	0.3
275.07834	1.0
281.08932	1.1
293.08844	6.8
311.09903	24.5
451.16629	4.1
483.70267	0.2
544.43628	0.3
561.17242	0.5
583.57843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03475	1.2
83.01392	5.8
83.05043	1.7
85.02953	18.1
85.03458	0.7
87.00874	3.4
89.02443	25.0
93.03452	4.5
95.01381	3.9
95.05042	0.5
97.02955	3.3
99.00879	4.8
101.02446	36.2
109.02940	0.4
111.00906	1.3
111.04534	1.9
113.02462	20.8
115.04010	0.5
119.03501	9.2
121.02958	3.9
123.04492	1.2
125.02454	5.8
127.04042	0.3
129.01897	0.5
131.03520	1.9
134.03773	0.4
135.04521	0.6
137.02414	0.6
139.03918	0.4
141.01907	0.5
143.03543	3.7
149.04550	0.6
149.06088	1.6
155.10721	0.4
159.02985	1.4
160.01709	0.4
161.04559	9.7
179.03455	0.3
179.05597	2.9
191.05580	1.4
194.03212	0.3
221.06703	1.8
242.79108	0.3
245.06682	1.7
263.07767	0.7
291.80966	0.4
303.39166	0.3
323.09970	0.7
328.73956	0.3
371.22455	0.6
393.26517	0.4
419.90768	0.3
497.29465	1.5
515.30219	9.7
677.35974	2.3
748.05841	0.4
821.39966	2.4
839.40857	21.9
840.40601	0.6
857.41888	0.5
879.42438	0.7
899.43054	3.0
983.45044	4.2
1001.46100	100.0
1002.46814	2.9
1061.49670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.518
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03473	1.9
85.02962	7.2
87.00869	7.3
93.03457	59.6
109.02953	2.9
111.04532	6.8
125.02388	1.6
129.01884	1.7
133.02951	20.6
134.03717	3.0
135.04521	49.2
137.02417	3.0
139.04022	1.6
151.04056	6.3
153.97826	1.5
155.03491	1.5
160.01735	2.5
161.02438	2.9
173.04564	16.5
177.01927	2.9
178.02699	5.3
179.03502	11.8
191.05626	42.8
215.05637	3.3
233.17754	1.4
275.51053	1.7
335.83234	1.5
351.07352	6.2
495.12097	1.9
786.99457	1.7
867.45190	13.1
1059.51868	100.0
1060.53113	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	1061.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00892	0.4
81.03491	0.8
83.01387	5.0
83.05039	0.9
85.02954	19.2
87.00858	4.5
89.02444	32.6
91.16072	0.5
93.03461	6.2
95.01376	4.3
95.05038	0.9
96.96049	2.1
97.02966	5.2
99.00874	6.1
99.04545	0.7
101.02446	44.9
107.59852	0.5
109.02992	1.0
111.00905	2.9
111.04550	2.2
113.02455	21.8
119.03500	11.7
121.02950	3.1
123.04539	0.8
125.02449	10.8
129.01949	0.8
131.03510	3.3
133.02934	0.6
134.03769	0.8
135.04553	0.8
137.02441	1.1
141.01956	2.1
143.03506	5.8
145.05095	0.5
149.04520	0.5
149.06128	0.7
151.04039	0.6
155.03549	0.8
155.10820	1.0
159.03004	1.2
160.01715	0.7
161.02486	0.7
161.04567	11.4
167.03505	0.6
173.04536	3.2
179.05618	5.9
191.05673	5.1
203.05647	0.9
221.06679	6.0
233.06561	0.5
245.06688	3.9
245.12125	0.5
263.07629	1.0
292.68878	0.5
323.09973	2.9
383.14249	0.6
449.14639	4.3
515.30212	5.9
549.34961	0.6
677.35645	1.0
839.40961	11.1
840.40961	1.1
965.44415	0.7
983.45294	21.5
1001.46161	100.0
1002.47101	3.7
1061.52698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	9.2
79.95738	6.0
83.01410	1.3
83.35556	0.7
85.02958	9.3
87.00903	3.0
89.02441	100.0
95.01398	1.6
96.96008	71.3
97.02940	0.7
97.52239	0.7
98.95638	3.6
99.00880	22.9
101.02444	35.1
101.03097	1.5
109.16888	0.7
113.02450	15.0
114.60639	0.9
119.03504	17.0
119.05024	0.9
121.02901	1.2
125.02448	1.6
131.03513	11.2
135.04500	0.9
137.09729	0.8
143.03511	4.4
147.64471	0.9
149.04564	33.0
153.05516	1.2
159.04523	0.8
161.02428	1.3
161.04564	5.9
163.04066	0.7
165.01947	0.9
173.04587	0.9
173.05992	0.8
174.06686	0.9
175.04033	4.6
179.03433	0.8
179.03954	0.8
179.05608	12.9
181.05148	1.6
187.04044	1.3
189.05423	0.8
190.06415	0.9
191.05653	14.7
193.05095	0.8
195.06708	0.8
202.06386	1.5
205.05095	3.7
220.07417	4.6
221.06657	4.4
225.79123	0.7
235.06033	0.8
235.09770	3.2
241.87439	0.8
251.07797	3.5
293.08627	3.1
311.09662	10.3
326.11676	1.4
327.23184	0.9
341.13971	1.3
359.15042	1.2
371.10773	1.1
371.15097	17.1
422.93631	0.8
551.21521	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
72.97507	0.3
72.99327	2.2
73.02952	9.1
81.03453	3.1
83.01400	3.1
83.05051	1.8
85.02959	12.9
86.00105	0.4
86.85812	0.3
87.00866	5.9
87.01277	0.4
89.02448	19.6
93.03464	2.7
95.01396	1.5
95.05029	0.8
96.96002	0.7
97.02957	5.5
99.00877	3.4
99.04514	0.6
101.02446	25.5
103.04023	2.6
107.60991	0.3
109.02965	2.0
111.04532	1.5
113.02461	6.9
115.04031	1.3
119.03517	2.9
121.02951	2.6
122.06043	0.3
123.04560	0.6
125.02448	16.8
127.04022	2.1
129.05589	0.9
131.03503	6.9
135.04509	0.7
137.02457	0.4
139.04036	1.3
141.01901	0.4
143.03490	2.8
145.05074	5.9
149.06065	1.5
150.03249	0.5
159.03062	0.6
161.04544	1.9
163.06137	4.5
181.05046	0.4
187.06041	0.4
191.05646	2.5
205.07262	5.6
247.08232	1.6
249.18558	0.4
253.42015	0.3
307.10376	1.5
309.21524	0.4
368.49594	0.4
375.04477	0.4
380.59930	0.4
391.12491	0.6
405.41675	0.4
468.84106	0.4
469.15854	0.6
515.30292	4.4
677.35535	1.3
759.64813	0.4
818.02673	0.4
839.40973	4.2
985.46661	100.0
986.46130	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	1051.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99338	0.4
73.02977	1.8
85.02985	2.6
87.00876	12.0
89.02480	1.9
92.10110	1.6
93.03519	0.6
95.01454	0.6
96.96039	1.9
99.00906	0.9
101.02451	4.7
111.00894	0.8
113.02471	2.1
119.05109	0.5
123.08189	2.1
129.01990	2.1
133.03038	0.7
134.03720	0.5
135.04564	0.7
137.02513	0.9
150.03221	0.6
159.03035	2.7
161.02505	1.8
161.04634	0.7
170.91078	0.4
179.03627	0.6
188.76335	0.4
191.05656	4.3
241.16031	0.5
287.20151	4.2
315.19925	0.6
317.10330	0.5
329.21167	0.6
344.20108	1.8
345.20764	21.4
347.22345	7.8
357.20697	0.7
371.23013	0.6
399.21875	0.5
507.26077	83.7
508.26440	2.2
543.23773	100.0
544.23993	1.8
609.15546	0.5
710.54260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02962	2.2
83.01405	0.4
85.02962	3.6
87.00875	0.7
87.02774	0.4
89.02444	4.6
92.10059	1.3
93.03458	0.9
96.96007	0.9
99.00889	0.7
101.02438	7.3
109.02930	0.6
113.02441	3.5
119.03550	0.7
125.02419	0.9
133.02953	0.9
134.95712	0.5
135.04507	2.1
143.03484	0.6
148.83763	0.5
149.04625	0.5
151.04030	0.5
155.10753	0.5
161.02441	1.0
161.04558	2.9
173.04475	1.1
179.03502	0.8
191.05655	4.6
359.18671	1.2
371.20819	3.3
503.25110	28.4
504.25427	0.9
539.22723	100.0
540.23169	4.2
541.22638	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	1045.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	0.7
78.99229	0.7
85.02979	1.5
89.02439	1.5
93.03484	0.9
93.50584	0.6
96.96001	0.7
99.00902	1.1
101.02431	3.5
101.19306	0.5
113.02443	0.8
117.03476	34.9
119.05024	26.6
121.03033	0.9
125.02436	0.7
135.04485	0.6
145.02974	100.0
161.06024	1.1
163.04022	32.9
164.04601	1.0
191.05624	3.5
205.05080	3.6
252.66129	0.7
265.07269	1.0
497.29187	0.9
626.03259	0.7
682.33020	0.7
686.74286	0.7
967.43536	53.9
968.43652	2.9
985.44489	14.2
1033.90942	0.8
1045.54065	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	1043.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02951	0.9
80.32400	0.5
81.03473	2.1
83.05036	2.7
85.02972	5.7
87.00874	14.3
93.03453	86.3
95.05032	0.6
96.96032	1.1
99.00917	0.9
99.04520	1.1
99.43456	0.5
101.02471	0.7
105.03460	2.0
109.02970	2.3
111.04530	15.0
113.02459	2.6
116.92915	0.6
117.03425	0.6
117.84673	0.5
118.39091	0.5
123.04502	0.6
123.33408	0.4
127.04060	1.0
129.01938	1.3
133.02962	9.5
134.03738	18.0
135.04538	8.9
137.02469	1.2
143.03502	0.5
151.04062	0.9
155.03447	4.2
155.10829	1.0
159.04507	0.6
160.01656	3.8
161.02446	2.4
162.03273	9.6
173.04561	44.9
173.67371	0.6
177.01895	2.4
178.02718	2.3
179.03577	2.0
187.07773	0.5
191.05634	58.3
203.10805	0.7
229.08748	0.7
231.10281	16.3
257.08191	6.0
260.65253	0.5
275.09286	37.0
351.07190	0.9
361.18317	0.6
431.13843	1.0
444.18335	0.5
449.14648	100.0
450.14896	2.1
787.93237	0.6
892.50726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.305
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02959	0.4
79.95756	1.2
83.05024	0.4
85.02951	9.1
87.00883	2.8
89.02454	1.9
92.10110	0.5
93.03447	5.0
95.01399	0.3
95.95250	0.5
96.96008	14.2
99.00896	0.4
101.02429	0.7
101.81237	0.3
109.02967	1.4
111.04540	1.6
113.02486	0.6
114.69543	0.3
127.04018	2.5
129.01915	0.3
131.56564	0.3
133.02936	0.6
135.04546	1.4
137.02437	0.4
137.09724	0.3
138.97092	0.3
151.00310	1.2
155.10773	1.4
159.04526	0.6
160.01605	0.3
161.02438	1.2
163.00436	0.4
172.05302	1.2
173.04550	2.9
175.04019	0.5
179.03523	0.7
183.04550	0.6
185.06024	1.1
187.04036	0.5
187.07651	10.7
189.05618	0.5
191.05629	100.0
192.05917	2.3
197.06209	0.5
198.99133	0.4
199.04025	1.4
199.09818	0.5
211.04083	0.7
213.05719	0.5
213.09209	1.6
215.07175	1.8
227.03549	9.6
228.04309	1.7
229.05069	2.9
229.08733	0.5
231.10257	2.0
233.06740	0.5
233.18192	0.3
240.04135	0.3
241.00322	1.1
255.03026	15.3
256.03711	1.5
256.07071	0.4
257.04590	1.6
257.08215	11.0
266.05786	0.6
275.09201	1.4
284.03284	20.3
285.04071	25.4
286.04407	0.5
389.81494	0.3
401.15967	0.5
421.13440	0.3
431.13672	2.2
449.14862	33.5
450.15054	0.7
581.22577	0.5
593.15253	28.7
594.15717	1.6
610.71320	0.3
951.38141	0.3
1043.36047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	0.4
73.02950	1.7
74.29623	0.2
83.47760	0.2
85.02971	1.3
87.00906	0.4
87.99558	0.2
89.02443	19.9
91.09945	0.2
97.02962	0.4
99.00884	5.8
101.02437	7.9
104.74361	0.2
109.77689	0.2
113.02404	1.6
119.03503	0.5
124.97193	0.2
125.02431	0.9
129.61398	0.2
131.03506	2.7
134.03683	0.3
135.04498	0.5
137.02423	0.2
137.09767	0.3
143.03520	0.2
149.04573	12.5
151.03952	0.5
155.10767	3.2
160.01694	0.3
161.02382	0.4
161.04579	1.4
175.03957	1.2
179.03403	0.4
181.08641	0.3
185.96794	0.3
191.05635	5.5
197.04541	0.5
199.09740	0.5
221.06694	2.7
251.07825	2.3
252.97475	0.3
273.07745	0.3
293.08841	1.1
311.09888	4.2
373.13568	0.3
408.03806	0.3
537.21228	100.0
538.21301	2.3
979.49603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	0.4
73.02944	4.9
75.00883	0.4
81.03468	0.4
83.01400	1.1
85.02958	4.1
85.62659	0.2
87.00874	3.6
89.02444	28.0
89.03974	0.7
93.03498	0.2
95.01393	0.8
97.02943	1.8
99.00877	10.3
99.04514	0.2
101.02443	11.1
101.03091	0.4
111.00889	0.4
113.02456	7.1
115.04021	1.0
117.03463	3.1
119.03513	2.5
121.02927	0.2
123.08196	0.3
125.02453	4.2
129.01956	0.4
131.03500	3.3
132.02170	9.0
133.02954	1.3
134.03746	53.6
135.04607	0.7
137.02490	1.5
138.06879	2.6
139.04027	0.2
139.07677	0.7
141.01933	0.2
143.03494	1.3
147.04550	0.9
148.05312	0.9
149.04587	5.1
149.06099	9.0
150.05115	0.2
151.04037	0.3
151.07655	1.6
152.08446	5.1
153.09222	7.5
154.22687	0.2
158.03758	0.2
159.03014	0.2
160.01675	59.0
161.02251	0.9
161.04584	2.0
163.11320	1.3
166.41129	0.2
173.06100	0.3
174.14073	0.2
175.04025	71.9
176.04790	5.0
177.01935	1.1
177.05565	0.2
178.02740	4.8
179.05696	0.4
190.10002	0.3
191.05603	3.4
191.07190	7.2
192.04338	0.4
193.05087	51.5
194.05431	0.4
202.02815	0.3
205.12375	11.3
207.06688	3.1
217.05072	1.0
220.03828	1.6
221.04524	0.2
223.13454	0.3
233.06764	1.9
235.06155	16.3
265.07230	4.0
277.07001	0.2
288.82678	0.2
291.22168	0.2
293.08820	2.0
295.08276	6.2
295.11328	0.3
323.09924	0.7
337.09280	2.9
341.10818	0.2
355.10474	3.3
385.18729	0.4
517.15826	100.0
517.23175	56.4
518.16150	2.2
518.23260	0.6
555.83087	0.2
689.69403	0.2
965.47699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	0.4
73.02944	4.9
75.00883	0.4
81.03468	0.4
83.01400	1.1
85.02958	4.1
85.62659	0.2
87.00874	3.6
89.02444	28.0
89.03974	0.7
93.03498	0.2
95.01393	0.8
97.02943	1.8
99.00877	10.3
99.04514	0.2
101.02443	11.1
101.03091	0.4
111.00889	0.4
113.02456	7.1
115.04021	1.0
117.03463	3.1
119.03513	2.5
121.02927	0.2
123.08196	0.3
125.02453	4.2
129.01956	0.4
131.03500	3.3
132.02170	9.0
133.02954	1.3
134.03746	53.6
135.04607	0.7
137.02490	1.5
138.06879	2.6
139.04027	0.2
139.07677	0.7
141.01933	0.2
143.03494	1.3
147.04550	0.9
148.05312	0.9
149.04587	5.1
149.06099	9.0
150.05115	0.2
151.04037	0.3
151.07655	1.6
152.08446	5.1
153.09222	7.5
154.22687	0.2
158.03758	0.2
159.03014	0.2
160.01675	59.0
161.02251	0.9
161.04584	2.0
163.11320	1.3
166.41129	0.2
173.06100	0.3
174.14073	0.2
175.04025	71.9
176.04790	5.0
177.01935	1.1
177.05565	0.2
178.02740	4.8
179.05696	0.4
190.10002	0.3
191.05603	3.4
191.07190	7.2
192.04338	0.4
193.05087	51.5
194.05431	0.4
202.02815	0.3
205.12375	11.3
207.06688	3.1
217.05072	1.0
220.03828	1.6
221.04524	0.2
223.13454	0.3
233.06764	1.9
235.06155	16.3
265.07230	4.0
277.07001	0.2
288.82678	0.2
291.22168	0.2
293.08820	2.0
295.08276	6.2
295.11328	0.3
323.09924	0.7
337.09280	2.9
341.10818	0.2
355.10474	3.3
385.18729	0.4
517.15826	100.0
517.23175	56.4
518.16150	2.2
518.23260	0.6
555.83087	0.2
689.69403	0.2
965.47699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	19.8
76.57665	2.4
81.27723	1.8
85.02961	7.3
87.00900	3.1
89.02431	20.0
97.02966	10.2
101.02438	21.5
110.06561	1.7
113.02460	8.9
119.03523	4.3
125.02399	7.4
137.09760	4.8
161.04596	2.4
165.12900	2.3
171.10269	26.4
179.05554	2.6
183.13942	2.0
185.11810	4.3
235.08257	3.7
247.20792	2.8
274.58545	2.3
275.81262	2.0
277.21750	70.4
291.19760	36.5
309.20761	100.0
379.12381	2.5
397.13565	43.9
415.14691	14.4
594.56055	2.2
707.35278	2.2
871.13232	2.2
892.41107	2.5
983.39526	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	103.0037
Annotation	Malonic acid
Peak:m/z	Relative Intensity
52.00439	0.1
53.78767	0.1
57.03456	1.2
59.01389	100.0
59.03882	0.2
60.01717	0.5
60.08583	0.1
65.70592	0.1
73.02956	1.7
85.64259	0.1
100.61061	0.1
102.99710	0.2
103.00385	5.3
103.04022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99314	4.8
83.01434	1.1
87.00877	43.1
87.01367	1.9
96.96010	1.7
103.00372	56.4
110.67631	1.2
112.98806	1.5
121.02959	100.0
122.65037	1.2
130.99861	35.3
148.89664	1.2
151.00369	6.0
168.45058	1.0
178.99872	4.6
191.05574	1.9
199.03969	1.5
243.03001	2.1
253.03596	82.2
271.02554	43.9
299.02039	79.1
300.02765	23.4
301.03613	37.6
462.08115	19.6
463.08704	1.8
609.14886	12.3
771.20093	83.7
808.24207	1.2
918.61401	1.3
936.96478	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	1021.6642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01407	0.5
85.02961	0.5
89.02411	0.4
97.06616	0.4
101.02458	0.8
162.37437	0.4
178.54428	0.3
181.05176	0.3
189.38986	0.4
199.28889	0.4
245.22626	0.3
313.61011	0.4
394.92047	0.4
397.78574	0.3
412.48517	0.4
457.33499	2.2
487.34482	100.0
488.34927	1.9
648.35895	0.4
672.79572	0.4
921.04761	0.5
961.53992	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	1023.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	49.9
72.99303	3.1
73.02944	10.9
78.39494	0.2
83.01389	1.3
85.02957	8.7
87.00867	2.2
89.02444	100.0
93.03426	0.3
95.01392	2.7
97.02943	1.1
99.00877	23.3
101.02444	42.1
108.02209	0.3
109.02940	1.2
113.02459	17.3
114.39361	0.3
115.04014	0.5
119.03503	16.0
121.02979	1.1
122.03725	0.3
123.04508	0.6
125.02438	2.3
131.03516	11.4
135.04601	0.3
137.09734	0.5
143.03505	4.9
147.68584	0.2
149.04568	39.0
151.04028	0.2
159.04468	2.1
160.05318	3.4
161.02487	0.4
161.04596	6.0
161.05959	0.6
172.05333	3.0
173.06073	2.1
175.04021	0.3
175.07697	1.8
179.05637	14.4
187.07689	0.4
188.04753	0.3
189.04178	0.3
189.05609	5.0
190.06384	4.7
191.05634	11.7
203.07179	0.3
205.07050	0.4
205.08746	4.2
212.03294	0.2
221.06697	5.5
251.07732	3.1
263.07300	0.3
275.07797	0.6
281.08481	1.7
293.08847	3.5
296.10590	3.0
311.09760	5.4
311.12979	3.8
326.11475	1.2
329.14008	1.4
341.13989	11.0
389.21924	0.6
521.20245	31.7
521.26471	7.1
522.01202	0.2
522.20343	0.3
596.28485	0.3
814.84662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79609	0.1
55.01897	1.7
56.93687	0.1
57.03458	100.0
58.00594	0.3
58.03800	0.3
59.01391	3.0
69.52939	0.2
71.01385	2.7
73.02948	7.1
80.37386	0.2
83.00980	0.1
83.01386	1.4
84.58376	0.2
86.00115	1.3
92.10126	0.5
100.94624	3.0
100.95443	0.4
100.96058	1.8
101.02445	29.4
115.92065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.592
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	11.3
72.62929	1.3
85.02982	2.0
87.00889	2.7
89.02428	16.1
92.10788	3.3
101.02436	12.7
113.02459	6.4
119.03510	3.0
125.02449	5.9
143.03554	2.0
174.40398	1.9
179.05548	1.9
195.13968	10.7
223.13480	2.2
235.08171	3.2
235.16986	2.7
275.20200	16.6
277.21768	49.5
293.21277	100.0
305.08707	2.3
379.12598	2.7
397.13596	35.1
415.14655	11.3
541.83508	1.9
691.35663	2.1
871.35626	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	1020.5914
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	9.3
78.24389	2.2
82.95422	24.9
84.00911	47.9
89.02431	5.1
89.60001	1.9
98.29550	2.0
101.02464	15.7
113.02479	2.4
125.02467	3.4
179.05659	2.2
188.86163	2.1
277.21744	100.0
379.12466	3.3
397.13513	21.0
415.14886	3.3
671.80963	3.1
684.58795	2.7
762.84802	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	1021.6642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01407	0.5
85.02961	0.5
89.02411	0.4
97.06616	0.4
101.02458	0.8
162.37437	0.4
178.54428	0.3
181.05176	0.3
189.38986	0.4
199.28889	0.4
245.22626	0.3
313.61011	0.4
394.92047	0.4
397.78574	0.3
412.48517	0.4
457.33499	2.2
487.34482	100.0
488.34927	1.9
648.35895	0.4
672.79572	0.4
921.04761	0.5
961.53992	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	1005.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	26.8
72.99319	0.7
73.02946	6.8
75.00883	0.5
81.03432	0.4
83.01398	4.4
85.02950	13.7
85.03448	0.5
87.00898	2.1
89.02445	12.1
95.01378	3.2
97.02962	2.8
99.00880	3.5
101.02445	28.9
111.00910	0.6
112.35751	0.3
113.02457	15.3
119.03515	5.5
125.02438	7.1
125.03276	0.3
129.01942	0.5
131.03513	1.7
143.03552	1.2
159.02991	2.6
161.04561	8.5
167.03596	0.5
171.10268	0.6
179.05582	0.6
212.75189	0.3
221.06714	1.2
325.20300	1.6
326.20465	0.4
327.21793	0.6
378.32758	0.3
621.43225	0.5
657.85175	0.4
742.74347	0.4
783.49036	5.5
945.54407	100.0
946.54248	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	1003.7251
Annotation	Unknow
Peak:m/z	Relative Intensity
75.24292	10.7
82.44366	13.8
158.01877	12.2
187.10881	12.8
191.79912	14.2
223.75514	14.7
234.26472	13.3
341.26715	14.1
358.20062	13.0
363.08368	12.7
420.97571	16.0
457.10184	15.2
531.37085	100.0
630.40900	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	1005.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	24.7
72.99327	0.9
73.02950	8.5
74.11945	0.4
83.01401	3.9
85.02958	12.1
87.00885	1.9
89.02448	12.2
94.06127	0.4
94.20772	0.5
95.01395	2.9
97.02934	1.8
99.00866	4.6
101.02439	23.6
106.01453	0.5
113.02457	13.5
119.03511	5.5
125.02450	7.8
129.01938	0.5
131.03458	1.0
135.12807	0.5
143.03525	1.0
159.02975	1.0
161.04568	7.5
179.05598	0.8
212.07944	0.4
221.06761	1.9
315.11929	0.5
358.29626	0.5
427.32489	0.7
485.32788	1.1
486.33240	0.7
487.34341	4.0
488.34952	3.9
489.36716	7.0
783.48914	6.0
945.54449	100.0
946.54730	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	1005.5652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	29.8
72.99303	1.6
73.02947	9.4
74.52470	0.2
75.00872	0.4
81.03455	0.2
83.01397	4.8
84.02190	0.2
85.02965	15.6
86.00118	0.2
87.00886	2.7
89.02453	14.7
92.10973	0.2
95.01386	2.9
97.02959	3.6
99.00895	4.2
101.02451	30.6
111.00875	0.4
113.02463	18.1
119.03513	5.5
119.04321	0.3
121.02922	0.3
125.02454	8.1
129.01929	0.4
131.03522	1.8
139.04123	0.3
143.03520	2.0
149.02548	0.2
159.03047	2.3
161.04575	9.3
179.05650	1.1
189.51915	0.2
191.05713	0.2
215.19145	0.2
221.06659	2.1
245.06792	0.4
311.81641	0.2
371.00388	0.2
521.34821	0.2
583.61920	0.2
621.43921	0.8
634.30103	0.2
765.49048	0.2
783.49139	6.1
784.49811	0.2
945.54419	100.0
946.54352	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	1003.6513
Annotation	Unknow
Peak:m/z	Relative Intensity
74.96983	0.1
90.79757	0.1
92.10223	0.2
97.06598	0.2
299.27405	0.1
370.06766	0.1
375.26959	0.2
377.28482	0.1
382.30051	0.1
393.31909	0.6
395.29605	0.6
409.31665	0.1
411.32745	0.3
425.34424	2.8
437.30850	0.2
439.32242	6.5
457.33322	14.8
469.33591	1.4
485.32779	1.1
486.33124	1.9
487.34375	100.0
488.34671	1.6
670.51770	0.1
943.50183	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	1003.6501
Annotation	Unknow
Peak:m/z	Relative Intensity
73.60042	0.9
82.99684	1.1
92.05735	1.1
95.08329	1.2
97.06597	5.1
140.22984	1.1
169.84857	1.4
275.20309	8.8
333.83972	1.1
377.54974	1.3
395.29636	18.3
411.32700	20.6
420.40311	1.3
423.32996	2.5
425.30814	1.7
439.32162	26.6
441.33920	12.9
455.31732	46.4
485.32852	100.0
819.05127	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	1003.476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	40.6
72.99310	1.6
73.02943	14.5
75.76794	0.1
79.95747	0.2
81.00063	0.1
81.03437	0.2
81.65022	0.1
83.01393	0.7
85.02950	4.2
85.09944	0.1
87.00867	0.6
89.02441	100.0
95.01387	0.2
96.95988	1.3
97.02949	1.1
97.40125	0.1
99.00874	33.6
101.02439	33.4
105.56772	0.1
113.02454	6.2
115.04002	0.8
119.03497	2.2
121.06578	0.2
125.02447	3.0
131.03500	14.2
137.09700	1.2
143.03487	2.8
149.04561	54.7
161.04564	4.3
175.03984	0.1
185.79582	0.1
186.24591	0.1
191.05624	17.1
221.06689	9.3
251.07758	5.5
263.07858	0.3
275.07813	0.9
281.08774	0.9
293.08862	4.3
294.22156	0.2
311.09885	8.6
451.16791	0.8
499.12784	0.3
500.13306	0.2
501.13205	0.6
501.27206	0.2
533.44958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.541
Annotation	Unknow
Peak:m/z	Relative Intensity
86.21730	14.8
89.87360	16.7
109.16663	17.4
122.19608	17.4
124.22076	17.2
143.26334	19.0
152.15005	16.6
266.41748	16.7
277.21869	73.2
309.20810	88.8
397.13516	84.6
1003.54309	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	1001.658
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05022	0.6
81.03459	0.2
85.06582	0.2
90.67027	0.1
97.06578	3.6
99.47184	0.1
121.44244	0.1
190.00429	0.1
191.14500	0.9
205.16093	0.1
217.15851	0.2
254.55194	0.1
277.21677	1.0
305.21136	0.2
327.17416	0.1
355.26337	0.2
355.88135	0.1
373.25345	0.2
374.26169	0.6
375.27051	0.9
377.28534	0.2
388.27863	0.2
389.28552	2.0
391.30185	6.6
392.30554	0.1
393.27936	0.6
393.32248	0.3
399.32776	0.1
403.30215	0.6
405.31717	5.8
406.31512	0.1
406.45621	0.1
407.33383	12.0
409.31110	1.4
421.31152	0.6
423.28592	0.7
423.33755	1.5
424.33234	0.2
425.34589	1.0
437.30762	1.5
439.32190	1.6
441.33820	17.5
442.34244	0.5
443.35864	0.2
449.30582	1.5
451.32254	11.6
452.32666	0.2
453.33817	100.0
454.34161	2.8
457.33167	0.2
459.34717	0.6
467.31622	1.4
469.33292	4.6
471.35095	0.9
485.32913	1.3
486.32977	0.9
487.34381	15.6
488.34830	0.2
497.32645	1.0
513.32300	1.0
715.52783	0.1
747.63788	0.2
1034.70276	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	1001.6365
Annotation	Unknow
Peak:m/z	Relative Intensity
76.18919	0.3
76.42144	0.3
78.64498	0.3
97.06599	5.4
110.24532	0.3
116.31605	0.3
123.37144	0.3
165.53180	0.3
266.56161	0.3
297.22330	0.4
369.10281	0.3
389.28543	0.7
391.30292	0.7
393.31793	1.1
405.32019	0.4
409.31430	0.4
411.32794	1.4
423.32889	5.4
425.34811	0.5
439.32269	7.4
443.31631	0.7
457.33319	11.8
458.32669	0.4
467.31958	0.3
469.33359	2.8
485.32770	7.2
486.33209	10.9
487.34387	100.0
488.34814	1.7
674.92401	0.4
1003.24750	0.4
1033.23047	0.5
1034.29993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6354
Annotation	Unknow
Peak:m/z	Relative Intensity
87.09241	0.4
97.06580	0.9
119.37796	0.4
155.10774	2.0
235.62354	0.6
285.18668	0.8
287.20151	6.1
297.22205	1.0
308.81485	0.5
409.30994	2.0
421.31314	2.7
423.32870	11.8
439.32236	11.3
441.30038	2.3
455.31842	1.0
467.31830	2.3
473.32687	4.7
484.31741	0.9
485.32855	100.0
689.28070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6377
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05052	1.3
75.00898	2.2
78.97520	0.5
92.10184	0.7
94.59722	0.5
97.06569	1.1
100.48293	0.6
106.18250	0.6
381.28162	0.7
389.28510	5.5
405.32166	0.8
406.28809	3.6
407.33527	6.8
416.96152	0.6
421.31207	2.3
423.32864	8.8
424.33203	0.7
425.34335	0.7
439.28403	2.3
453.33798	1.2
469.33328	63.6
470.33829	2.2
471.34872	2.5
485.32867	5.5
486.33109	10.4
487.34409	100.0
488.34665	3.7
529.35840	0.8
587.67169	0.7
662.63647	0.6
962.61298	0.6
1027.37366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6369
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26894	0.2
71.01398	1.1
73.02956	0.8
83.01353	0.2
85.02952	0.4
89.02467	0.2
89.41211	0.2
92.10060	0.8
99.17844	0.2
101.02449	0.9
113.02451	0.3
119.03471	0.2
136.26480	0.2
145.83710	0.2
161.04489	0.5
164.34145	0.2
181.37361	0.2
191.05681	0.3
221.06728	0.2
236.78503	0.2
305.30151	0.2
339.23413	0.2
350.64566	0.2
407.29587	0.7
473.33429	0.3
485.32825	100.0
486.33136	2.5
913.48029	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	4.2
69.07059	0.8
71.01337	0.4
71.04980	0.8
73.02894	4.7
73.03282	0.2
75.32680	0.1
79.05465	3.3
81.03401	2.3
81.07031	3.4
81.07466	0.2
83.04977	0.3
83.08616	0.7
85.02884	6.8
85.06528	0.2
87.04485	0.3
87.30637	0.1
91.03934	3.7
91.05450	2.7
92.09150	0.2
92.64780	0.1
93.07014	3.3
95.04961	0.9
95.08578	3.0
95.22919	0.2
97.02868	7.6
97.03490	0.3
97.06495	0.3
97.10172	0.2
99.04441	1.4
101.02349	2.5
103.03936	0.6
105.04549	0.2
105.06997	1.4
106.92123	0.2
107.08582	1.7
109.02883	0.9
109.06461	0.2
109.10157	0.7
109.11316	0.1
111.08094	0.2
115.03953	0.4
117.07024	0.7
119.08597	1.0
121.10149	0.8
123.08043	0.2
127.03886	2.1
131.08556	0.9
133.10152	1.0
135.11703	0.6
145.04958	0.4
145.10130	0.3
147.11676	0.3
159.11700	0.4
163.49088	0.2
173.13283	0.2
176.84261	0.1
185.04247	1.0
203.05368	0.9
243.08321	2.9
259.07965	0.2
333.20267	3.9
335.25916	0.4
347.09375	3.2
347.13129	0.2
363.08960	0.7
365.10394	1.7
389.23022	0.3
405.13586	9.6
413.18008	0.3
414.68625	0.2
427.19897	0.2
453.20938	0.3
479.22528	0.2
493.24292	0.3
519.29193	8.9
551.28082	5.1
575.22327	0.2
615.26654	0.3
681.34479	9.1
682.34314	0.2
713.33167	4.1
829.50720	1.9
991.55768	100.0
992.56073	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	1001.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	1.9
85.02947	9.5
87.00896	1.8
89.02444	1.5
93.03452	5.2
96.96036	0.5
97.58858	0.3
99.04520	0.4
109.02934	0.6
111.04519	1.5
125.02390	0.7
127.03992	2.6
132.02148	0.4
133.02956	8.6
134.03691	0.5
135.04523	22.3
135.20258	0.3
139.73196	0.4
148.58347	0.4
161.02452	59.8
162.02748	1.6
171.02869	0.6
173.04553	1.6
179.03513	15.4
191.05627	100.0
192.05984	2.8
202.64157	0.3
230.02437	0.3
233.06680	0.4
258.48328	0.4
353.08734	2.8
424.62277	0.4
455.12076	13.9
456.12491	0.7
473.12781	0.7
647.18414	50.9
648.08276	0.4
648.18860	2.3
649.19409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	7.2
69.07052	26.1
69.07404	1.3
70.84657	0.7
71.04975	3.5
73.02892	4.5
77.03902	1.1
79.05473	76.5
81.03397	7.0
81.07037	100.0
83.04960	8.1
83.08603	15.4
85.02890	12.6
85.06544	4.1
91.03934	4.5
91.05458	60.7
92.08954	4.6
93.07022	74.7
95.01308	0.8
95.04953	13.8
95.08583	57.7
97.02873	10.2
97.06505	8.9
97.10146	11.4
99.04430	1.0
99.08068	1.3
101.05988	1.0
101.13345	1.0
103.05457	3.3
105.04482	1.7
105.07013	56.9
107.04939	7.6
107.08577	49.8
109.02863	1.3
109.06507	12.5
109.10150	26.3
111.08064	3.6
115.03846	0.8
117.06994	18.9
119.08553	39.4
121.06485	3.5
121.10115	30.8
123.08041	3.6
123.11674	7.7
125.09616	7.8
127.03903	4.2
127.07553	1.0
128.06221	1.7
129.06958	8.3
130.07759	0.9
131.08539	31.3
133.10109	38.5
135.08025	5.2
135.11658	15.7
137.09590	3.2
137.13271	1.2
141.06921	1.3
142.07793	1.2
143.08528	8.7
145.05087	0.9
145.06407	0.9
145.10110	24.8
147.07985	1.5
147.11667	25.0
149.09607	12.0
149.13255	9.5
151.11154	1.5
155.08514	1.7
157.10110	7.2
159.08000	1.1
159.11671	15.5
161.09564	1.9
161.13234	9.0
163.11150	5.3
163.14783	3.1
165.12721	3.1
169.10091	4.0
171.10318	1.1
171.11557	5.7
173.13193	10.1
175.11162	1.6
175.14813	3.5
177.12683	1.8
177.16400	0.9
179.14270	1.0
183.11740	3.4
185.13263	6.3
187.11177	1.1
187.14792	4.1
189.11214	4.8
189.12729	1.1
197.13191	1.4
199.14812	1.2
201.16422	1.0
203.14337	1.3
219.17381	5.6
227.12631	7.5
229.14215	2.9
229.19493	1.5
239.17830	3.5
243.21074	1.7
247.20592	1.6
257.18896	8.5
259.20456	1.9
261.22113	7.9
261.50854	0.8
267.15820	3.6
269.17416	1.3
271.16772	0.9
275.20010	39.5
277.21503	0.8
279.42615	0.8
293.21201	1.3
303.22522	0.8
331.22757	0.9
333.24323	1.3
335.25735	90.4
349.23654	37.3
351.25305	1.2
428.05902	0.8
447.01605	0.7
489.35699	3.9
505.34891	4.2
513.39557	0.8
515.37128	1.4
517.40216	1.3
522.81903	0.9
529.38751	6.9
535.41443	1.1
545.38098	3.4
552.39954	0.8
555.39874	1.9
569.41907	9.0
591.44214	0.8
609.45050	97.8
610.44904	1.4
627.46063	16.3
693.47601	0.9
771.49762	1.2
784.01062	0.9
909.67035	0.9
1000.06439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	6.1
69.07051	28.6
71.04973	4.4
73.02896	2.9
79.05472	79.1
81.03403	6.8
81.07036	100.0
83.04952	9.3
83.08599	13.9
85.02889	14.4
85.06528	4.0
91.03934	4.6
91.05459	66.3
92.08715	1.0
92.09188	1.7
92.68793	0.7
93.07018	75.1
95.04379	1.3
95.04940	13.7
95.08579	63.4
97.02863	11.0
97.06505	11.4
97.10138	15.4
99.04435	1.9
99.08079	1.8
103.05421	1.8
105.04532	1.0
105.07010	58.3
107.04937	9.6
107.08575	53.1
109.02874	1.3
109.06497	10.9
109.10136	25.3
111.08061	4.4
114.50793	0.7
115.05453	1.1
116.06187	0.7
116.34843	0.8
117.06998	21.8
119.08558	46.4
121.06464	4.3
121.10120	28.3
121.10976	1.3
123.08071	5.3
123.11685	8.5
125.09610	10.4
127.03904	4.0
128.06168	1.7
129.06981	8.8
130.07782	1.8
131.08536	30.3
133.10104	31.3
135.08025	6.5
135.11665	14.7
137.09595	3.6
137.13255	1.2
139.11223	1.1
141.06949	1.3
142.07758	1.3
143.08546	10.7
145.04955	0.9
145.10104	23.7
147.07970	0.9
147.11662	22.5
149.09618	9.5
149.13219	8.5
151.11162	1.7
155.08553	3.3
157.10139	8.3
159.08087	0.9
159.11671	19.2
161.09525	1.2
161.13217	7.1
163.11150	6.0
163.14804	1.8
165.12735	2.8
169.10065	3.3
171.10326	1.3
171.11575	6.0
173.11790	1.5
173.13181	11.6
175.11075	1.0
175.14827	1.8
177.12775	1.6
183.11687	5.2
185.13235	6.2
187.11220	1.3
187.14833	3.1
189.11218	4.8
195.11710	1.5
197.13252	2.7
199.14812	1.8
201.16365	1.6
203.14317	1.8
209.13301	1.0
211.14796	1.4
211.30511	0.9
219.17450	4.4
227.12752	12.2
227.17825	0.8
229.14297	1.8
229.19469	2.6
233.15396	0.9
234.29179	0.9
239.18060	1.1
247.20462	1.8
257.18890	8.4
259.20654	1.5
261.22058	7.7
267.15881	3.9
269.17426	1.8
275.20016	38.7
293.21112	1.4
317.24762	1.6
331.22296	1.1
333.24176	0.9
335.25742	70.1
349.23648	41.1
489.35779	3.4
505.35144	1.2
515.37140	1.9
529.38611	11.0
545.38055	3.5
555.40216	1.4
569.41772	4.1
599.46808	1.1
609.45026	94.5
610.45520	1.6
627.46155	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	984.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	5.6
69.07052	28.6
69.41454	2.6
71.04951	2.7
75.83327	2.9
76.56542	3.5
79.05473	50.6
80.05378	2.5
80.75889	2.9
81.07030	45.9
81.50640	3.1
83.04921	4.6
83.08587	12.0
85.02878	5.3
91.04969	3.0
91.05466	33.0
93.07030	46.1
95.04926	14.5
95.08586	38.0
97.02874	14.8
97.06460	4.6
97.10128	13.6
105.07021	21.0
107.04945	7.3
107.08559	22.0
109.10136	16.9
117.06978	11.6
119.08565	23.7
119.42619	3.1
121.06424	3.2
121.10086	11.9
123.08006	3.1
125.09539	5.4
131.08543	14.6
133.06458	3.7
133.10123	3.4
135.11627	6.8
140.15521	3.1
140.76828	2.8
143.08553	5.9
145.10106	12.2
154.27144	3.2
159.11603	3.9
168.16330	2.9
193.12485	3.4
193.66806	3.2
223.13260	23.6
273.18439	15.3
291.19467	100.0
300.85483	3.1
335.25784	61.3
365.23129	60.7
379.61450	3.2
545.38239	4.1
586.12964	3.4
625.44598	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	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	9.7
69.07053	28.5
71.04967	2.6
72.54028	1.4
73.02905	2.5
73.92535	1.3
79.05473	82.8
81.03394	10.8
81.07037	100.0
83.04946	10.7
83.08602	16.1
85.02895	13.7
86.32037	1.5
91.03931	7.1
91.04880	2.5
91.05454	67.8
93.07021	89.8
95.04948	15.5
95.08585	59.7
97.02894	11.3
97.06521	9.3
97.10123	7.2
99.04453	1.7
105.04465	3.1
105.07018	55.1
107.04934	7.2
107.08575	51.3
109.06530	6.6
109.10146	33.2
111.08071	3.4
117.07013	21.8
119.08562	37.7
121.06480	1.9
121.10120	32.4
123.08068	2.0
123.11697	2.8
125.09600	2.2
129.07019	6.2
131.08537	34.3
133.10095	29.9
135.08037	6.3
135.11662	17.4
137.09554	2.1
143.08499	10.0
145.06473	1.7
145.10097	21.9
147.11665	14.9
149.09578	8.7
149.13216	12.2
151.11148	1.5
155.08524	2.5
157.10115	5.5
159.11668	14.8
161.13255	6.3
163.11195	7.0
166.92439	1.6
169.10023	2.0
171.11678	3.6
173.11800	2.8
173.13226	14.0
183.11624	2.9
185.13248	5.5
187.14780	2.0
195.13762	2.0
199.14819	1.8
217.15714	1.6
219.17467	2.0
227.12718	3.1
229.14369	11.0
239.17909	1.8
243.21107	3.1
257.18951	2.8
259.20422	1.8
261.22131	9.3
269.17365	10.2
275.19977	24.5
277.96237	1.6
309.20523	2.2
331.22540	1.7
335.25726	76.5
335.71484	1.5
349.23700	22.5
367.24811	1.8
489.35788	13.2
529.38776	46.0
543.40906	10.1
569.41833	19.0
609.45026	43.7
627.46246	14.1
986.55585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05946	3.9
69.07053	12.1
79.05473	66.4
81.07033	100.0
85.02884	25.9
91.03959	17.5
91.05437	43.2
92.08698	10.2
93.07024	69.2
95.04899	4.6
95.08587	63.8
97.02885	4.6
105.07002	32.5
107.08567	38.0
109.10132	31.4
117.07034	5.7
119.08567	21.5
121.10133	35.5
123.11707	11.0
131.08527	20.2
133.10094	11.7
135.11659	22.1
145.10124	4.8
147.11629	9.5
149.13228	7.3
149.31454	5.1
159.11655	6.9
161.13225	10.7
169.03545	4.7
222.70479	5.4
246.68022	5.2
260.36655	5.1
261.21936	6.5
289.25131	5.4
335.25671	41.9
363.28967	41.9
427.74463	5.7
457.44183	5.1
547.51703	5.7
605.45642	5.8
623.49969	17.7
641.51471	34.0
915.45166	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	982.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	10.4
69.07053	66.1
71.04981	4.3
71.08610	8.8
73.02897	0.7
73.06545	1.0
73.58472	0.4
79.05478	9.9
81.03407	3.8
81.07035	96.2
82.07393	1.0
83.04970	0.8
83.08601	41.7
85.02887	31.2
85.06527	8.8
85.10166	3.4
87.04452	5.7
91.03916	0.8
91.05453	3.6
93.07018	16.6
95.04940	2.0
95.08584	100.0
96.08918	0.8
97.02863	13.8
97.06506	2.8
97.09515	1.2
97.10143	29.5
99.04456	1.2
99.08065	10.0
99.11714	0.7
105.04504	0.5
105.07001	5.3
107.07858	1.0
107.08573	20.8
109.02885	4.0
109.06541	0.6
109.10139	75.0
111.08054	4.9
111.11700	26.9
113.09636	3.6
115.03910	5.4
119.08565	3.4
121.10126	14.4
123.08050	1.1
123.11683	42.2
125.09610	2.2
125.13244	13.1
127.03897	7.0
127.11158	4.6
131.08542	0.8
133.04939	2.8
133.10107	2.1
135.11661	14.6
137.05957	1.0
137.13235	24.1
139.11136	3.5
139.14798	2.3
140.56689	0.5
141.12680	0.6
143.14262	0.8
145.04929	6.8
145.10149	0.9
147.04362	1.2
147.11685	1.2
149.09544	0.5
149.12013	0.8
149.13239	21.3
151.14789	14.7
153.12784	0.7
153.16298	0.9
157.10080	0.7
159.11693	1.0
163.03871	0.7
163.05939	1.2
163.14792	10.0
165.09062	0.9
165.16344	5.5
167.07018	1.1
167.14282	2.9
169.15846	1.1
173.13232	0.9
175.14969	0.6
177.05516	2.3
177.16360	4.7
179.17935	6.2
183.17435	1.0
187.14758	0.7
191.17903	3.9
193.19510	3.2
205.19449	5.3
207.21013	6.4
211.20570	0.6
214.17717	0.5
215.18120	0.6
219.21048	3.9
223.20586	4.8
237.22162	0.9
239.23625	1.1
249.25761	1.0
263.27237	6.7
275.27301	9.7
281.28326	21.6
287.55353	0.6
291.26566	0.9
293.28329	48.6
295.10254	0.6
299.29398	26.8
300.29520	0.6
311.29376	40.6
325.11246	3.4
329.30441	67.4
330.30704	2.0
347.31378	1.3
401.30417	1.2
437.32565	1.1
455.33685	2.8
461.34540	10.7
473.34601	11.4
491.35669	30.0
492.35895	0.6
509.36285	1.2
613.83228	0.7
653.40692	2.1
763.68201	0.6
867.59851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	68.5
69.07055	2.2
71.04987	9.4
73.06525	2.4
79.05470	6.9
79.75297	1.1
81.07034	7.7
83.04946	2.4
83.46781	1.2
83.63853	1.3
85.02857	1.8
85.06513	12.1
87.04454	18.2
91.05472	8.2
93.07027	11.0
95.04945	66.7
95.08577	8.8
101.05997	1.7
105.03356	1.3
105.06999	10.1
107.08578	8.4
109.06501	2.2
109.10137	6.0
113.05988	100.0
116.98630	1.1
117.07008	2.5
118.24194	1.1
119.08540	9.2
121.06502	1.6
121.10117	4.5
123.08051	1.3
125.05973	2.3
127.03805	1.2
127.07520	6.9
129.07007	2.6
131.08536	8.5
133.06462	1.3
133.10080	8.2
135.11671	2.2
137.05989	1.5
139.03815	1.9
141.06941	2.3
143.08522	7.5
145.06580	1.6
145.08588	42.4
145.10057	6.3
147.11630	4.8
147.97231	1.1
149.05949	1.4
149.13222	1.4
153.05435	1.6
154.07707	1.1
155.08517	6.8
157.06392	1.1
157.10083	6.6
159.07967	1.6
159.11642	7.0
161.13190	2.1
163.11118	1.2
165.06995	1.5
167.08553	1.8
169.10023	9.1
171.08029	1.9
171.11681	2.2
173.13249	2.1
179.08519	2.3
181.10072	4.3
183.11617	6.9
185.09592	1.3
185.13245	2.2
193.10060	4.7
195.11647	4.4
197.09586	2.5
197.13202	1.7
199.14790	1.9
201.09007	1.3
207.11693	2.0
209.09401	1.7
212.83420	1.2
215.17911	4.3
221.13254	2.8
225.09076	1.7
227.10614	2.5
233.13194	2.0
235.14795	1.4
243.10123	1.4
255.13879	1.3
263.14215	1.6
273.16110	1.5
281.15384	1.2
305.18884	2.6
309.18469	3.8
309.21725	1.6
323.20029	5.8
333.18423	11.8
337.21576	6.4
351.19409	25.0
355.22644	25.5
369.20499	33.8
371.22083	4.9
373.23679	15.2
387.21582	20.9
391.24701	1.3
411.21561	1.6
429.22528	5.1
447.23788	8.9
499.30603	5.2
517.30878	1.9
771.87103	1.4
935.78296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	23.9
69.07053	50.6
71.04977	3.2
71.08617	5.3
72.00011	0.6
73.02904	1.5
75.04490	0.6
79.05475	9.8
81.03404	6.5
81.07037	76.7
83.04952	0.9
83.08605	32.7
85.02889	67.1
85.06531	8.5
85.10160	1.5
87.04457	12.3
91.03941	3.1
91.05455	3.3
93.07021	16.6
95.04939	2.7
95.08583	85.3
96.08868	0.7
97.02875	29.3
97.06477	1.0
97.10143	22.9
99.04448	4.7
99.08067	8.7
101.02369	0.6
103.03931	1.4
105.07013	4.9
107.08574	20.5
109.02867	7.7
109.06541	0.8
109.10140	62.9
110.07155	0.7
111.04435	1.2
111.08084	6.1
111.11696	19.4
113.09626	1.2
115.03912	13.5
119.08565	4.1
121.10111	12.6
123.08026	0.7
123.11684	37.5
125.09614	1.4
125.13245	9.8
127.03889	17.3
127.11185	3.1
131.08563	1.4
133.04944	10.5
133.10109	2.7
135.08075	1.0
135.11667	11.1
137.05939	2.7
137.09619	0.8
137.13222	20.1
139.03885	0.7
145.04945	19.9
145.10129	1.1
147.04433	0.7
147.11659	3.2
149.01775	0.6
149.12105	0.8
149.13240	20.3
151.14784	9.5
153.12770	1.2
157.10129	1.2
159.11627	3.5
161.13219	2.4
163.06010	4.2
163.14783	7.8
165.09082	2.8
165.16325	6.2
167.06953	0.8
167.14305	3.4
169.15805	2.8
171.11656	1.2
173.13257	2.2
177.05414	2.5
177.16345	3.9
179.17902	5.9
181.04955	1.0
185.13301	0.8
189.16415	0.8
191.17851	4.5
193.19548	3.9
205.19495	5.4
207.21091	4.1
211.20459	1.0
219.21068	3.3
223.20615	0.8
231.21071	0.9
237.21985	1.2
241.07060	0.8
259.08032	1.3
263.27298	5.6
271.15277	0.9
275.27316	12.7
281.28354	27.7
282.28561	0.7
289.16418	8.4
293.28314	34.9
295.10159	3.7
311.29385	100.0
312.29379	0.8
325.11179	15.7
329.30438	8.2
383.29291	1.1
401.30429	1.3
419.31345	1.3
425.32611	1.0
437.32596	2.3
443.33533	11.5
455.33539	7.5
473.34628	23.4
491.35510	2.8
635.39764	1.2
736.27435	0.9
982.59833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.5
71.17326	1.3
73.02904	2.8
79.05495	2.6
81.07045	3.0
81.80466	1.2
85.02883	3.1
85.40364	1.3
87.87782	1.2
88.61594	1.3
91.03979	1.8
93.07036	2.2
95.08570	1.7
97.02840	2.2
107.08627	3.4
119.08630	1.4
243.08585	1.9
252.76131	1.7
257.35172	1.7
405.13898	7.9
519.29346	8.3
533.27112	11.6
681.35193	5.4
695.32648	6.9
917.99695	1.8
926.25836	1.5
973.54700	100.0
974.55298	2.9
1004.77161	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	973.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45831	0.8
69.03417	1.4
69.07055	1.1
72.65433	0.8
73.02925	2.2
78.93675	0.8
79.05495	1.7
81.03415	1.5
81.07046	2.1
85.02916	3.7
91.03951	1.0
91.05470	1.3
92.09093	2.6
93.07026	3.6
95.08678	1.0
97.02911	1.7
170.49701	0.9
243.08446	1.5
308.25504	1.0
315.19669	1.2
347.09586	2.1
405.13919	5.7
519.29492	6.1
533.27252	3.6
570.84949	1.0
681.34210	6.4
695.32617	3.4
973.54700	100.0
974.55463	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	975.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	2.3
69.34370	0.5
69.73013	0.5
73.02915	2.9
79.05489	2.3
81.03421	0.8
81.07056	2.8
82.66679	0.5
85.02911	3.4
91.03960	2.7
91.05483	1.0
92.08852	3.1
92.09366	0.8
93.07003	1.8
95.08608	2.1
96.74174	0.6
97.02860	5.5
98.36591	0.5
101.02387	1.2
105.07050	0.9
107.08624	1.2
109.75185	0.5
114.89071	0.5
119.08590	0.9
121.10141	0.9
127.03919	1.1
133.10138	0.8
135.11723	0.9
185.04272	0.8
203.05205	0.9
237.39201	0.5
243.08365	2.2
250.42207	0.6
252.38216	0.6
316.33960	0.6
324.84885	0.6
347.09586	3.2
365.10526	2.0
405.13596	5.1
519.29291	5.5
535.29242	3.6
621.81830	0.6
681.34442	7.4
697.34009	3.2
813.50958	0.9
975.56299	100.0
976.56097	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	973.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	2.4
73.02907	1.9
73.66565	1.5
75.14792	1.3
79.05499	1.4
81.07036	2.8
85.02903	3.2
89.23410	1.3
91.05533	1.7
92.09315	3.1
93.07016	2.5
95.08628	2.9
97.02876	6.1
107.08627	2.7
114.37560	1.6
131.48860	1.3
203.40796	1.8
219.17342	1.7
243.08350	2.3
315.19278	3.2
315.34299	1.4
405.13828	6.7
519.29370	7.3
533.26782	5.5
596.37775	1.4
681.34674	7.8
695.32513	2.3
782.89471	1.6
951.57886	1.7
973.54608	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	970.6089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03405	2.4
69.07055	22.6
71.04978	2.5
71.08640	0.9
73.02903	6.5
77.03908	1.1
77.14640	1.0
79.05473	83.0
81.03416	2.2
81.07037	92.8
83.04960	4.3
83.08600	14.5
85.02893	21.0
85.06532	2.0
87.04456	1.0
91.03953	12.7
91.05460	90.9
93.07022	100.0
95.04953	13.9
95.08584	71.8
96.74137	1.0
97.02850	11.7
97.06508	4.3
97.10157	5.8
103.05435	1.5
105.04536	1.0
105.07012	98.2
107.08578	50.7
109.06514	5.5
109.10143	25.2
111.08046	1.4
115.05429	2.0
117.06992	30.2
117.07748	1.6
119.08560	66.4
119.44620	0.9
121.10117	36.5
123.07999	1.8
123.11683	6.2
125.09669	1.1
127.03879	1.2
128.06241	4.4
129.06982	15.9
131.08542	43.2
133.10103	50.7
135.11678	26.4
137.09596	1.5
141.06940	1.4
142.07793	2.0
143.08543	16.8
145.04936	4.2
145.10106	31.5
147.11668	34.6
147.12856	1.1
147.75232	1.0
149.09618	1.9
149.13248	15.4
155.08524	4.7
157.10083	15.0
159.11678	25.7
161.13211	21.2
163.06039	1.9
163.11124	1.9
163.14815	5.4
169.10104	4.0
171.08139	1.3
171.11656	16.2
173.13232	11.9
174.24330	1.2
175.14796	7.1
183.11613	3.3
185.13229	13.2
187.14796	7.3
197.13284	4.5
199.14807	7.8
201.16417	1.5
211.14931	1.5
213.16344	2.1
215.17818	1.8
231.17572	1.2
231.21083	1.7
241.19475	12.5
248.25378	1.1
257.18973	5.7
259.20520	54.8
261.22034	9.7
275.20004	1.0
297.22113	1.0
315.23199	4.2
333.24179	36.1
335.25726	45.4
336.26199	2.1
337.27362	2.1
385.23245	1.7
403.24731	1.3
475.33865	1.2
501.35330	1.6
519.41791	5.6
537.42731	2.0
593.45648	12.1
597.41498	1.1
611.46606	88.2
612.46741	2.1
669.45044	1.1
701.47424	2.3
708.71332	1.2
719.48639	3.9
737.49194	3.9
755.50757	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.4
69.03419	2.9
73.02907	3.2
76.56615	0.6
81.07053	1.1
82.92827	0.6
85.02874	4.9
91.03960	3.6
91.05477	0.9
93.07050	1.3
95.01823	0.7
95.08617	1.5
97.02889	4.2
105.07027	0.9
121.52822	0.7
127.03888	1.3
160.27446	0.8
179.69830	0.7
203.05136	0.7
243.08470	1.4
347.09583	3.9
405.13474	8.6
438.09128	0.7
470.91779	0.7
497.30579	6.9
551.28662	3.7
659.36273	6.2
713.33557	3.9
742.45447	0.8
969.57306	100.0
970.57281	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	969.5743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.1
69.03410	2.5
69.07043	0.5
71.08613	0.6
73.02899	2.9
78.43951	0.4
79.05478	2.2
81.03422	0.6
81.07047	2.5
83.01334	0.4
83.08587	0.6
85.02889	5.3
89.54218	0.4
91.03929	3.2
91.05471	1.5
93.07024	0.8
95.08600	2.3
97.02876	5.5
99.04413	0.5
101.02372	1.9
107.08622	0.5
109.02876	0.7
109.10155	1.5
114.46568	0.4
117.07025	0.5
119.08611	0.5
127.03921	2.0
146.50839	0.4
147.11742	0.6
185.04225	0.6
203.05258	0.4
241.50638	0.5
243.08536	2.5
249.14951	0.5
295.06931	0.4
305.08514	0.6
313.27594	0.5
333.20474	2.2
347.09424	3.4
365.10648	0.8
389.23242	0.5
405.13553	6.7
453.20898	0.6
497.30707	5.9
551.28125	6.5
659.36053	7.4
713.33417	7.3
807.52087	2.3
969.57355	100.0
970.57825	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	968.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	21.3
69.07059	7.3
71.04999	0.7
79.05473	20.3
79.31258	0.7
81.03407	1.1
81.07037	25.4
81.07481	1.4
83.04981	1.5
83.08605	3.7
85.06528	1.3
87.00928	0.7
91.05460	27.7
91.06006	1.4
92.09301	1.2
93.07027	25.2
93.21565	0.7
95.01339	1.1
95.04964	4.0
95.08586	17.3
97.06519	4.6
99.04465	1.2
103.95697	0.8
105.07021	23.6
107.04945	4.5
107.08576	10.9
109.06506	3.5
109.10152	4.7
117.07016	7.4
119.08558	18.3
121.06516	1.1
121.10137	8.6
123.08073	1.5
123.11662	0.8
129.06990	1.2
131.08536	15.3
133.10120	12.8
135.11670	5.2
137.09624	1.1
145.10121	7.3
147.11684	4.8
149.09535	0.8
149.13272	0.8
159.11684	4.6
161.13080	2.4
163.11288	0.9
173.13223	1.0
179.14317	1.2
185.13240	1.6
201.16377	0.9
219.17412	49.9
275.20102	10.3
325.92645	0.9
335.25760	19.3
349.23624	14.4
362.35306	0.9
371.25592	0.8
378.53226	0.8
389.18506	1.0
398.94116	0.8
406.50693	0.8
609.45038	100.0
610.44714	3.7
815.96191	1.1
948.94055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.616
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.7
73.02924	1.7
85.02911	5.6
97.02884	7.4
101.02377	1.8
122.78580	1.1
127.03893	1.3
185.45010	1.2
247.38954	1.1
271.05139	1.1
347.09375	1.4
405.13803	7.9
476.77853	1.3
519.29486	5.7
525.34351	6.1
681.34570	7.1
687.39246	4.6
957.25446	1.2
965.61438	100.0
966.62347	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	966.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	17.1
69.03413	36.5
69.07053	79.5
71.04967	3.9
71.08239	1.4
71.08613	28.1
73.02892	4.3
76.84013	0.7
79.05469	4.4
80.71672	0.6
81.03401	7.3
81.07037	54.2
82.81863	0.7
83.08602	72.7
85.02888	100.0
85.06525	4.0
85.10152	13.9
87.04446	17.4
89.08864	0.7
91.03919	4.8
91.05462	4.3
93.07043	6.9
95.04961	3.0
95.08583	69.2
97.02255	1.6
97.02868	43.5
97.10147	49.0
99.04436	5.8
99.08054	4.9
99.11699	1.8
101.09632	1.0
103.03902	1.3
105.07014	4.5
107.08566	6.3
109.02863	10.3
109.10142	43.0
111.04446	1.2
111.08089	1.2
111.11701	44.5
111.12476	1.5
113.13280	1.2
115.03905	21.9
115.11169	1.3
119.08576	3.3
121.06451	1.0
121.10103	3.0
123.08080	0.9
123.11692	22.8
125.13250	21.1
127.03894	27.7
129.12732	1.3
131.04881	0.9
131.08533	1.3
133.04936	17.4
133.10133	1.8
135.04504	1.0
135.11668	1.5
137.05888	0.7
137.09555	1.3
137.13205	11.2
139.14828	6.9
143.14258	1.6
145.02937	5.6
145.04927	32.2
147.11647	1.4
149.09599	0.9
149.13240	3.1
151.14793	9.1
153.16379	1.7
155.14270	1.3
157.15810	1.4
159.11607	1.4
163.05995	12.6
165.09081	4.6
165.16380	6.4
167.17918	1.3
169.15846	4.7
171.17403	1.5
177.05443	11.9
179.17946	1.7
183.17368	1.4
193.19469	1.4
195.21117	1.5
207.20978	1.9
213.22083	6.0
221.22589	1.4
239.23683	4.0
241.06865	0.8
251.27171	1.0
259.08237	1.6
271.08224	0.9
277.09003	1.1
277.28839	6.3
283.29962	12.5
289.09036	1.0
295.10281	11.1
295.29904	83.8
313.27411	1.2
313.30966	32.8
319.29865	1.5
325.11249	25.7
331.31961	1.1
339.10712	1.6
343.12054	1.0
361.30914	0.9
373.30948	1.1
385.30991	1.3
391.32159	1.5
403.31985	4.4
409.33362	1.3
421.32901	4.5
439.33987	3.1
445.35278	1.4
457.35092	7.2
475.36084	5.5
516.52985	0.8
657.48834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	58.3
69.03397	8.5
69.07057	25.5
71.00186	2.2
71.05000	2.6
71.08611	31.0
73.02881	3.6
74.81604	1.9
79.05474	48.1
81.03381	11.3
81.07032	73.5
83.04961	7.7
83.08595	29.4
85.02879	13.2
85.06470	2.8
85.10150	14.5
89.06010	1.9
91.03912	3.3
91.05458	45.5
92.09016	9.2
93.07027	37.3
95.04929	9.8
95.08582	49.7
97.02856	13.5
97.06494	9.6
97.10142	25.6
103.05397	2.0
105.04515	2.1
105.07014	44.2
107.04916	11.4
107.08573	42.7
109.06493	7.8
109.10146	36.1
111.08039	4.7
114.36789	2.2
117.06995	18.9
119.08566	31.2
121.06477	2.5
121.10107	15.9
122.15688	1.8
122.69573	2.4
123.11680	7.9
125.09617	19.7
127.03857	9.2
129.06964	4.0
131.08531	20.4
133.10103	25.2
135.08023	2.9
135.11604	3.8
137.09521	2.8
143.08507	7.1
145.10132	22.2
147.11629	15.0
149.09589	11.6
149.13226	2.5
157.10118	4.3
159.11668	13.2
161.13214	2.3
163.11064	4.4
173.11749	3.8
173.13187	2.7
185.13177	4.4
189.11195	8.9
203.14185	2.2
227.12758	27.6
229.14259	4.9
239.23633	2.4
257.18973	13.2
267.15723	4.4
275.19992	47.5
313.27310	85.0
331.22540	2.9
349.23660	52.1
467.37134	15.9
477.32568	2.2
491.40845	2.3
507.40216	8.9
518.31512	2.4
547.42950	9.0
581.16589	2.6
587.46594	100.0
605.47888	14.6
929.69409	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	965.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05138	1.2
67.05491	28.6
69.03413	13.8
69.07056	2.5
71.04975	12.7
73.06530	0.7
74.77216	0.5
79.05472	10.9
81.06583	1.1
81.07036	19.2
81.86704	0.5
83.04937	2.5
83.08595	3.3
85.02866	2.0
85.06055	1.0
85.06530	16.0
87.04452	4.4
91.02939	0.6
91.05457	16.1
93.07024	18.1
95.04947	32.1
95.08573	14.8
97.06505	3.2
101.05982	1.4
101.33092	0.5
103.05402	0.7
105.07014	25.7
107.04909	2.1
107.08581	18.7
109.06508	4.4
109.10137	9.3
111.08064	0.5
113.05988	68.3
115.05447	0.7
116.06262	1.0
117.06994	10.3
119.08550	17.9
119.09386	1.0
121.06483	4.0
121.10130	8.1
123.08019	1.2
125.05958	9.7
128.06174	4.3
129.06961	10.8
131.08542	21.5
133.06514	2.0
133.10103	15.6
135.08029	2.7
135.11655	8.3
137.05951	1.1
139.07460	1.0
141.05431	1.1
141.06975	4.0
142.07759	2.5
143.08543	19.7
145.06468	2.5
145.08580	11.9
145.10100	20.2
147.08044	5.2
147.11659	15.0
149.05949	1.4
149.09587	1.2
149.13226	6.4
151.07552	1.1
153.05438	5.1
155.08519	11.0
156.09303	0.9
157.06445	2.5
157.10101	18.6
158.10837	0.6
159.07997	3.8
159.11652	26.2
161.05875	2.1
161.09627	1.4
161.13242	15.5
163.07571	4.8
163.11136	0.7
163.14752	0.8
165.07007	2.5
166.07689	1.0
167.08501	2.8
168.09288	1.2
169.10092	12.5
171.08087	1.0
171.11617	12.5
173.09572	2.7
173.13242	8.7
175.07506	18.2
175.11160	1.3
175.14783	1.3
177.09047	3.1
177.64926	0.7
179.08517	0.9
180.09381	0.6
181.10046	9.8
183.11670	15.4
184.12370	0.7
185.09572	4.3
185.13223	10.9
187.07512	2.9
187.11142	1.4
187.14799	3.6
189.09033	7.4
192.09351	0.7
193.08551	2.3
193.10156	3.6
194.10878	0.9
195.11685	7.9
196.12381	0.7
197.09584	2.6
197.13191	9.4
199.11192	3.9
199.14799	8.8
201.09044	3.4
201.12656	1.5
201.16341	2.8
203.10660	3.4
203.14317	0.9
205.80916	0.8
207.10014	0.9
207.11673	3.8
209.09631	5.8
209.13216	9.3
211.11247	6.0
211.14763	5.4
213.09128	3.5
213.12682	3.1
213.16316	3.7
213.52733	0.6
215.10629	4.4
215.14316	0.6
215.17914	6.1
217.12222	2.9
217.15892	1.0
219.11661	1.2
221.13242	3.8
223.11215	2.7
223.14801	3.8
225.12764	3.4
225.16406	3.7
227.10617	14.9
227.14072	0.8
229.12166	14.6
229.15793	1.0
231.13814	1.5
231.17422	1.4
233.13335	1.3
234.13887	0.8
235.14781	4.0
237.12637	3.3
237.16428	1.4
239.14285	1.2
239.17880	0.8
241.12161	8.1
243.13721	3.9
245.11517	1.1
249.16399	4.7
251.14178	1.2
251.17960	5.1
253.12010	1.1
253.16040	0.8
253.19513	5.2
255.13829	6.7
257.15317	1.0
261.12506	0.7
261.16245	0.9
263.17868	3.2
265.15820	0.8
265.19403	2.7
267.13812	1.2
267.17316	0.8
269.15366	2.2
271.16940	0.8
275.14755	0.7
275.17914	2.5
277.15979	1.0
277.19452	4.9
281.15317	4.0
283.17017	0.8
289.19476	1.5
291.17697	1.2
291.20938	8.5
293.15201	1.2
293.18979	3.0
293.22461	1.2
295.16931	2.3
301.19489	1.2
307.20416	6.4
309.18655	1.4
309.22046	6.7
311.19946	1.4
317.18915	3.4
319.20490	10.5
325.21536	3.7
335.19952	15.2
337.21555	81.2
338.21844	1.0
353.21048	28.3
355.22592	93.4
356.22986	2.3
371.22086	33.8
373.23651	100.0
374.23697	2.3
389.18069	1.0
389.23145	30.3
415.24368	1.2
433.25751	14.3
499.30280	1.3
707.62061	0.7
795.99402	0.7
922.97742	0.7
941.67859	0.8
953.78674	0.7
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
67.05489	61.6
69.03408	9.3
69.06712	1.2
69.07050	23.1
71.04957	4.7
71.08609	39.3
73.02876	2.1
78.07909	1.0
79.05469	40.7
81.03387	8.7
81.07037	69.5
83.04946	8.7
83.08591	19.1
85.02884	14.8
85.06504	4.4
85.10165	21.0
89.06009	1.7
91.03925	5.4
91.05454	48.9
92.08611	2.5
93.07018	38.4
95.04948	11.2
95.08580	52.8
97.02863	12.4
97.06519	8.5
97.10133	10.0
99.04420	1.2
99.11723	1.8
101.84366	1.1
105.07007	36.0
107.04922	5.5
107.08573	29.4
109.02866	1.2
109.06483	5.5
109.10136	31.9
111.08049	5.0
115.05445	1.1
116.06306	1.1
117.06995	17.5
119.08556	24.3
121.06453	1.9
121.10120	17.0
123.08085	1.9
123.11652	8.2
125.09561	2.2
127.03848	4.1
129.06964	6.6
131.08527	22.3
133.10100	25.0
135.08009	4.2
135.11670	7.3
137.09575	1.9
141.06917	1.7
143.08562	7.5
145.04936	2.0
145.10106	15.1
147.08098	1.2
147.11633	10.4
149.09576	5.4
149.13225	6.0
157.10065	5.9
159.11642	11.8
161.09569	1.3
161.13239	2.5
163.11174	1.2
165.12689	1.6
169.10037	2.1
171.11603	2.5
173.04446	1.2
173.11696	4.0
173.13197	5.0
175.11145	1.0
177.12601	1.6
177.82866	1.1
183.11688	2.2
185.13199	6.4
189.16267	1.2
195.13724	1.2
199.14841	1.5
201.16446	1.8
203.14189	1.6
217.15828	4.1
219.17383	5.0
227.12726	4.1
229.14288	14.7
229.19347	1.4
239.17625	1.5
239.23508	2.0
255.15739	1.3
257.18930	6.9
257.24661	1.9
267.15912	1.5
269.17407	11.1
275.19971	19.4
283.18991	2.5
291.19467	2.5
309.20468	11.4
311.25589	1.7
313.27292	100.0
314.27448	1.7
331.22635	5.1
333.28741	1.1
349.23587	24.9
367.24673	1.8
445.60297	1.1
467.37228	15.4
493.38574	4.9
507.40359	49.4
521.42120	7.6
547.43451	47.8
554.78076	1.2
569.45428	1.3
587.46545	43.0
605.47577	9.7
636.94739	1.3
938.64746	1.2
980.44067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	8.3
68.06741	0.8
69.03421	15.6
69.07053	4.3
71.04981	4.2
73.02905	1.7
79.05482	3.4
81.03396	6.9
81.07038	8.2
83.08596	1.8
83.87353	1.0
85.02891	100.0
85.06528	3.3
87.04436	1.6
91.03940	4.4
91.05480	1.0
92.08656	0.8
93.07010	4.6
95.04961	3.7
95.08593	12.8
97.02876	26.4
97.06488	0.8
99.04426	4.5
101.02353	1.0
102.76525	0.7
103.03914	0.9
105.06995	5.5
107.08576	9.2
109.02882	8.8
109.10150	12.8
113.06004	7.6
117.06966	1.0
119.08558	6.7
121.10135	6.4
123.11710	3.5
127.03892	24.7
131.08556	1.3
133.10132	3.6
135.11678	5.1
137.13255	1.9
145.04941	34.5
145.08629	1.1
145.10132	4.5
147.11723	3.6
149.13266	3.2
159.11702	1.5
161.13278	3.6
163.05974	15.0
163.14830	1.5
173.13277	1.1
175.14864	3.2
187.14827	1.4
189.16348	1.9
191.17929	3.4
192.49232	0.7
199.14729	0.9
201.16306	1.5
203.17879	0.8
215.17854	1.0
271.07935	1.1
289.09204	3.3
299.27438	1.0
309.17395	0.8
325.11224	29.3
325.28738	3.7
337.21332	0.8
343.30020	6.0
361.30917	1.4
373.23636	6.2
381.71570	0.8
407.36664	4.4
425.37808	1.3
791.98669	0.8
940.46301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.1
69.03415	14.5
69.07053	3.8
71.01347	0.3
71.04965	2.3
71.05258	0.1
71.08611	0.8
73.02899	2.8
79.05476	2.6
81.03399	6.3
81.07037	11.2
83.01334	0.7
83.04963	0.3
83.08597	3.4
85.02887	100.0
85.06517	0.8
86.03235	0.2
87.04456	2.0
87.77919	0.2
91.03934	4.7
91.05459	2.3
93.07021	5.7
95.04963	0.3
95.08583	14.1
96.34325	0.2
97.02869	25.3
97.10152	1.4
98.75289	0.2
99.04424	4.4
101.02378	0.8
103.03924	1.1
103.05432	0.2
105.07006	4.4
107.08574	8.4
109.02864	8.5
109.06511	0.2
109.10142	15.7
111.08093	0.2
111.11721	0.9
115.03908	1.5
117.07024	0.4
119.08562	3.8
121.10121	6.3
123.11678	4.5
125.09620	0.6
127.03891	24.4
131.08553	1.1
133.04967	0.3
133.10106	3.5
135.11668	5.5
137.13234	3.3
139.11211	0.2
143.08528	0.3
145.04936	38.1
145.10109	2.6
147.11671	3.8
149.13229	4.7
151.14784	0.3
157.10089	0.8
159.11665	2.9
161.13231	2.9
163.05972	18.2
163.14789	2.3
165.16339	0.2
171.11658	0.4
173.13185	1.7
175.14795	2.0
177.16318	0.9
179.14154	0.2
181.07112	0.3
185.13202	0.3
187.14818	1.6
189.16345	3.0
191.17900	3.5
199.14783	0.4
201.16312	1.8
203.17900	2.8
205.15892	0.3
205.19505	1.1
207.17410	1.0
213.16350	0.7
215.17924	1.4
217.19455	2.5
219.21111	0.2
227.17876	0.2
229.19423	1.1
231.20975	0.2
241.06952	0.3
241.19388	0.8
243.21123	0.2
247.08080	0.2
255.21040	1.3
257.22443	0.2
268.56277	0.2
269.22662	0.3
271.08209	1.4
275.27249	1.1
289.09109	3.9
293.28311	1.9
299.27237	1.6
311.29279	0.8
325.11230	26.9
325.28806	3.6
326.11435	0.2
329.30316	0.2
343.29898	3.6
351.30252	0.2
361.31073	1.2
367.33380	0.3
407.22321	0.2
407.36612	6.4
425.37878	2.6
597.23663	0.2
929.90118	0.2
999.05640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.3
69.03417	17.2
69.07054	2.3
70.93815	0.3
71.04977	7.1
73.02889	2.8
73.06532	0.8
79.05482	0.4
81.03398	6.5
81.07034	5.1
83.04956	0.8
83.08597	2.2
85.02888	100.0
85.06539	3.2
87.04445	0.9
91.03923	4.8
91.05454	0.6
93.07022	3.7
95.04981	0.4
95.08579	7.0
97.02868	24.0
97.03497	0.8
97.10156	3.1
99.04420	5.0
99.08083	0.7
103.03913	0.6
105.07033	2.1
107.08582	11.0
109.02856	9.9
109.10139	4.1
113.06002	0.8
115.03903	0.8
117.04639	0.3
119.08566	3.2
121.10115	5.7
123.11669	2.7
125.09602	7.9
127.03886	24.0
127.11192	1.3
131.08662	0.4
133.10139	3.7
135.11679	5.5
137.13240	0.8
143.10658	9.5
145.04938	35.0
145.10103	0.8
147.11650	3.2
149.13214	4.7
159.11667	0.7
161.13219	3.2
163.05978	14.8
163.07336	0.5
163.14841	1.9
173.13245	0.7
175.14789	0.6
187.14876	0.4
189.16393	2.1
191.17911	7.9
201.16342	0.4
203.17961	1.8
205.19513	0.4
217.19583	2.3
235.70346	0.4
263.11215	0.4
264.02548	0.4
271.08011	0.7
289.09186	3.7
325.11212	25.1
373.23276	0.5
376.97916	0.4
407.36685	0.8
425.37701	13.5
425.42990	0.6
443.38779	6.5
453.79660	0.4
473.36081	0.5
491.11838	0.4
965.39838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01836	0.6
67.05484	0.6
68.99767	3.4
69.03394	1.9
70.59824	0.2
71.04976	7.0
80.39512	0.2
81.03378	0.5
83.04957	3.3
85.02886	9.5
93.03382	0.5
95.04964	1.2
97.02862	1.5
104.71379	0.3
109.02877	0.4
111.00784	6.2
111.04420	2.7
114.91441	0.3
121.02882	0.3
123.04424	1.9
127.03870	0.6
129.05446	1.2
136.47343	0.3
137.02319	6.7
137.05922	0.4
147.04407	0.6
149.02251	0.3
153.01807	48.7
165.01778	1.4
167.06990	0.4
171.02870	1.6
177.01822	0.3
177.05434	0.7
181.06444	0.7
185.06052	0.3
187.03903	0.3
197.06038	0.5
207.02832	0.3
207.04486	0.4
209.05931	0.4
213.05458	1.5
221.06033	0.4
225.05440	2.0
229.04892	0.7
231.06549	0.3
235.03838	0.7
236.51831	0.3
237.05441	6.2
241.04973	2.4
242.05695	4.6
249.05382	1.7
251.07072	0.4
253.04837	4.9
255.06491	5.5
257.04510	0.6
263.03329	3.1
263.06015	0.3
263.42508	0.3
264.04303	0.3
265.04926	5.9
267.06549	0.7
269.04373	6.5
270.05096	2.3
277.04794	1.8
279.06494	2.8
281.04395	11.4
282.05078	0.4
283.05936	6.6
285.03897	13.5
287.05249	4.0
291.02826	3.8
291.06165	0.6
293.04456	6.0
293.07733	0.5
295.02588	0.5
295.06046	4.2
297.03894	15.8
297.07196	0.8
298.04581	2.0
305.04391	2.9
305.07935	1.1
307.05914	3.0
309.03842	7.4
309.07242	0.3
311.05444	7.9
313.03336	4.2
315.06351	1.7
319.02408	0.7
319.05930	1.7
321.07684	0.3
323.05432	3.2
325.03342	7.3
325.07062	5.3
327.06064	0.5
333.03891	1.8
333.07596	2.0
337.03363	26.8
337.06790	1.2
338.03708	0.5
343.05984	4.6
345.07458	1.4
347.05414	1.4
351.04929	10.9
355.05630	0.5
361.07001	8.4
371.05463	8.3
373.06921	1.5
379.08365	2.0
389.06461	10.8
391.08017	0.4
393.06174	0.5
399.04922	5.9
401.06375	1.5
407.07571	8.0
417.05939	12.4
419.07526	4.8
435.07013	100.0
436.07401	2.0
437.08456	1.5
445.05515	4.1
461.05017	0.5
462.04971	0.6
463.06516	29.9
481.07559	4.8
609.11963	1.9
637.11725	5.9
655.12830	34.0
656.13037	1.3
709.97003	0.4
880.99286	0.4
897.30762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.6613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	49.7
67.05809	3.5
69.07048	18.1
71.08286	2.1
71.08609	29.5
73.02886	3.9
75.10450	1.8
79.05470	32.3
81.06590	1.8
81.07029	53.0
81.37136	1.7
83.08588	11.6
85.02890	22.3
85.10134	13.6
91.03927	13.4
91.05448	13.1
92.09401	4.2
93.07024	44.4
95.04945	2.9
95.08587	56.2
97.02858	11.4
97.06520	3.2
97.10124	8.6
105.07022	11.1
107.08556	23.8
109.10136	24.3
117.06963	4.2
119.08556	14.3
121.10115	16.8
123.11672	11.0
127.03912	3.9
131.08548	9.2
133.10081	11.4
135.11671	16.2
137.13182	2.7
142.59637	2.0
145.10072	10.1
147.11633	3.8
149.13202	8.0
159.11668	2.8
161.13245	4.1
163.05875	2.4
163.14717	3.2
173.13239	3.1
184.87773	2.1
187.14763	2.3
243.21051	11.0
261.22089	38.2
273.71558	2.0
335.25735	70.4
341.30432	100.0
601.42798	3.1
601.51740	52.7
619.52386	11.4
950.41418	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	961.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.2
69.03410	2.7
69.07057	0.6
69.16251	0.4
73.02909	3.7
79.05494	2.1
81.03421	1.6
81.07044	3.9
83.01408	0.4
85.02876	6.0
91.03932	2.8
91.05486	0.8
93.07047	1.8
95.08590	2.6
97.02877	5.3
101.02363	1.5
105.07030	0.6
107.08611	0.7
109.02887	0.4
109.10202	1.3
119.08622	0.8
121.10184	0.6
127.03943	1.7
133.10127	0.6
135.11719	0.6
181.44379	0.4
185.04230	0.6
203.05403	0.4
243.08444	2.3
347.09689	1.7
365.10632	0.7
405.13623	6.2
456.25394	0.4
519.29260	6.0
521.30664	3.4
681.34283	6.9
683.35999	3.2
799.53326	2.0
961.58337	100.0
962.58813	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	963.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01810	0.3
69.03362	0.5
71.04970	3.1
81.03348	0.8
83.04893	0.9
85.02889	4.6
87.04372	0.2
91.07825	0.2
109.02789	0.3
111.04398	0.3
115.05359	0.3
121.02743	0.9
123.04378	0.3
127.03812	0.8
129.05356	0.4
135.04375	0.3
137.02324	12.5
137.03371	1.4
137.05853	0.2
144.46164	0.2
145.02742	0.4
147.04384	1.6
149.02255	0.3
149.13170	0.2
153.01746	0.3
161.02234	0.3
161.05940	1.5
163.03798	1.4
173.88911	0.2
175.03857	0.8
177.05374	0.4
181.04848	0.2
183.11101	0.2
187.03674	0.4
187.05135	0.3
191.03372	0.2
199.03845	0.3
203.03372	11.2
207.02895	3.3
215.03316	2.5
216.04099	0.3
217.01244	0.2
219.02939	0.8
225.01727	1.2
227.03271	1.1
229.04866	0.3
233.04358	0.2
235.07483	0.2
239.03394	0.4
241.01141	0.2
243.02844	6.9
253.04826	0.4
257.04364	0.2
261.03784	0.4
263.07031	1.6
269.04218	0.3
271.02274	1.7
273.05606	0.4
279.06360	0.3
281.04330	0.3
281.07672	0.2
287.05383	3.0
289.03333	5.0
291.06479	2.5
295.05768	0.3
301.04868	1.3
309.07382	0.8
310.04700	0.2
313.03329	0.4
317.07727	0.2
319.05869	3.7
337.06888	0.9
347.05505	2.2
361.06946	0.5
363.08542	1.1
365.06470	3.1
375.04898	1.9
377.06296	0.2
389.06491	3.3
392.04944	0.8
393.05945	41.7
394.06143	0.3
403.04407	1.0
407.02814	0.2
417.05905	1.1
419.07532	8.8
419.12085	0.3
421.05435	100.0
422.05750	1.6
435.06998	0.4
445.05457	6.5
463.06500	62.8
464.06940	1.3
465.75589	0.2
481.07443	2.7
655.12854	10.5
663.03735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.8
69.03408	20.3
69.07059	3.1
73.02889	2.1
76.75780	1.7
79.05449	1.6
81.03403	4.0
81.07046	14.4
82.97366	1.6
84.09474	1.7
85.02889	100.0
91.03953	2.3
91.05461	7.5
92.09103	2.1
93.07010	12.2
95.04942	1.9
95.08577	16.5
97.02870	26.2
99.04407	2.7
105.07011	12.2
107.08598	16.7
109.02867	9.7
109.10130	12.0
112.93324	1.9
113.05962	3.1
119.08570	19.3
121.10108	13.1
123.11642	7.2
127.03922	24.9
131.08536	9.8
133.10132	12.9
135.11674	14.8
137.13203	2.1
143.08556	3.9
145.04929	24.6
145.10077	15.8
147.11703	12.8
149.13290	2.8
153.60985	1.9
155.08546	2.2
157.10133	8.4
159.11679	12.5
161.13257	7.4
163.05997	11.2
163.14772	2.9
169.10085	2.4
171.11664	11.4
173.13202	8.8
173.78877	1.9
175.14845	2.1
177.16432	2.9
183.11673	3.3
185.13193	7.5
187.14783	7.6
189.16322	7.6
191.17950	2.1
199.14818	2.9
201.16394	1.9
211.14772	2.3
213.16386	2.6
215.17912	2.4
227.17888	7.5
229.19522	13.7
239.17967	2.6
241.19452	3.4
243.20699	2.5
251.17900	3.0
279.21014	2.9
325.11130	12.8
365.31915	10.9
375.30411	22.4
385.28580	2.3
393.31424	29.5
403.29974	14.5
411.32169	7.0
421.30893	44.6
439.31854	31.8
457.32538	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	959.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	3.3
69.03410	4.4
71.01345	0.5
73.02901	3.3
79.05477	3.1
81.03411	2.0
81.07007	2.7
85.02891	6.3
85.42253	0.3
91.03920	4.1
91.05466	1.5
92.08662	0.4
93.07031	3.0
95.08587	2.6
97.02861	7.1
99.04460	0.8
101.02358	1.8
105.07025	0.7
107.08604	2.1
109.10172	0.7
115.03923	0.5
121.10143	1.4
127.03932	1.9
131.08572	0.4
135.11700	0.5
145.10098	0.4
178.61813	0.4
185.04143	0.7
203.05319	0.4
243.08347	2.6
250.29071	0.4
271.07657	0.4
347.09476	2.6
365.10599	1.8
405.13522	7.1
436.26273	0.4
519.29248	8.5
681.34259	10.5
763.64197	0.4
797.52362	0.9
958.56506	0.9
959.56781	100.0
960.56946	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	956.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	95.1
69.03406	4.5
69.07052	34.1
71.04968	1.2
71.08603	1.6
72.91711	0.6
73.02908	6.3
79.05470	52.1
81.03375	2.9
81.07033	100.0
83.04957	4.4
83.08596	19.4
85.02886	23.9
85.06520	4.2
86.67825	0.6
87.04453	0.6
91.03933	15.1
91.05456	29.7
93.07016	57.2
95.04935	8.4
95.08577	75.1
96.04432	0.9
96.08895	0.6
97.02856	11.7
97.06522	5.0
97.10141	7.9
99.04414	1.2
99.08053	1.1
105.04532	0.7
105.07001	26.6
107.08574	31.7
109.06508	1.4
109.10135	30.2
111.08040	1.1
111.11686	1.4
117.06976	7.5
119.08553	23.2
121.10107	27.1
123.08044	1.1
123.11672	12.5
125.09635	0.8
127.03888	4.7
129.06969	0.9
131.08522	13.5
132.46774	0.6
133.02725	0.7
133.10103	18.7
134.44400	0.7
135.11659	17.1
137.09607	1.5
137.13229	3.1
139.11072	0.9
145.04922	4.8
145.10104	12.2
147.11649	13.2
149.13232	9.0
151.14790	1.0
157.10080	0.9
159.11644	7.4
161.13239	8.3
163.05945	5.1
163.14783	6.3
171.11674	1.5
173.13203	7.5
175.14777	4.1
177.16319	1.6
185.13190	2.4
187.14787	3.2
189.16277	1.1
201.16486	0.8
205.15796	0.7
211.14717	0.7
219.21063	0.7
225.25175	0.6
241.19460	0.9
243.21013	6.5
245.22557	1.0
259.20505	4.7
261.22025	18.5
263.23694	4.5
317.24698	1.2
317.48260	0.7
333.24081	3.7
333.28088	0.7
335.25720	60.3
337.27283	70.0
338.27634	1.0
339.28806	6.5
365.30334	0.9
399.40439	0.8
473.40573	0.7
523.44812	3.8
541.46466	1.3
545.41895	0.9
597.39331	1.0
597.48627	33.1
615.49689	57.0
616.49915	1.4
697.00043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	100.0
68.05839	0.6
69.03418	4.3
69.07053	22.1
71.04971	3.6
73.02901	8.0
79.05472	68.2
81.03403	2.6
81.07035	96.7
83.04955	2.6
83.08604	11.0
85.02888	22.3
85.06517	1.3
91.03933	14.5
91.05455	44.3
92.08707	1.8
93.07018	81.4
94.07356	0.9
95.04946	9.6
95.08581	77.1
97.02865	13.2
97.06507	4.2
97.10133	4.9
99.04443	1.2
99.08080	1.4
101.02361	0.8
103.05403	0.6
105.04485	1.3
105.07010	34.9
107.08574	40.9
109.02872	1.2
109.06503	2.9
109.10133	28.3
111.08073	1.1
115.03899	0.9
117.06993	13.2
119.08559	26.3
121.10115	30.1
121.10981	1.3
123.08054	2.6
123.11685	8.8
125.09622	0.9
127.03899	4.5
128.06087	0.6
129.07010	4.1
130.07858	0.6
131.07524	0.7
131.08533	21.8
131.75046	0.6
133.10098	20.6
134.67531	0.5
135.11658	19.5
137.09589	0.9
137.13217	2.5
143.08559	2.6
144.09348	0.7
145.04950	5.4
145.10118	16.9
147.11650	12.6
149.13225	12.4
155.08469	0.7
157.10071	2.9
159.11646	13.2
161.13219	9.3
163.06018	6.2
163.14781	4.8
169.10072	0.7
171.11655	3.4
173.13217	8.8
175.14752	4.4
177.16377	1.3
183.50385	0.6
185.13228	3.3
187.14758	5.2
197.13440	0.7
199.14781	1.0
201.16379	2.5
216.11589	0.6
227.18018	0.7
241.19472	3.7
243.21027	5.4
259.20496	8.8
261.22083	17.6
262.22516	0.6
263.23712	2.3
273.22116	0.7
277.21506	0.7
279.23233	0.8
303.22992	0.6
315.23123	0.8
317.24646	3.9
333.24173	8.1
335.25723	97.6
336.26111	2.7
337.27261	14.2
441.14850	0.6
503.37131	0.8
521.43256	3.4
543.40466	1.0
595.47095	21.3
613.48108	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	951.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	2.0
73.02924	4.0
73.59682	1.5
79.05489	2.1
84.09059	1.8
85.02899	9.9
87.04912	1.8
91.03952	3.4
92.46076	1.7
93.07020	2.5
95.08590	1.8
97.02895	8.1
133.10117	2.4
243.08414	2.9
315.19202	3.6
318.96021	1.8
347.09409	2.5
405.13754	7.9
459.68381	1.8
497.31183	6.9
533.27325	10.2
538.27716	1.9
659.36395	7.1
686.24908	2.0
695.32526	7.8
951.56354	100.0
952.56140	4.0
962.86340	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.58
Annotation	Unknow
Peak:m/z	Relative Intensity
72.68258	2.0
73.02887	4.1
85.02895	3.0
91.05455	2.5
92.08815	11.7
97.02879	2.2
98.24008	2.4
133.68019	2.2
136.59019	2.3
214.19455	2.3
314.97720	2.4
336.35153	2.3
350.59479	2.4
390.72809	2.4
405.13669	3.3
697.33539	4.2
953.57996	100.0
954.56226	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	950.516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	28.7
69.03065	1.7
69.03416	30.4
69.06711	1.9
69.07055	36.4
71.04970	4.6
71.08607	6.0
72.85895	1.2
75.04445	1.2
75.53420	0.9
79.05462	17.4
81.03391	7.6
81.07037	92.3
81.68896	1.0
82.07359	1.4
83.04971	2.3
83.08610	22.4
85.02888	39.0
85.06514	1.8
85.10162	1.4
87.04443	15.7
91.03954	1.2
91.05447	15.8
93.07022	51.2
94.07365	1.5
95.04933	6.4
95.08582	100.0
96.08900	2.1
97.02871	27.6
97.06513	5.7
97.10152	13.7
99.04416	2.1
99.08050	2.0
103.05443	1.2
105.07027	19.6
107.08572	40.7
109.02859	1.7
109.06512	2.7
109.10136	55.5
111.08053	4.1
111.11709	10.6
113.09739	1.1
115.03920	19.6
117.07010	1.8
119.04881	1.2
119.08558	14.8
120.75183	1.1
121.10108	38.9
123.08077	1.6
123.11677	30.7
125.09629	1.5
125.13252	2.5
127.03885	6.8
131.08531	4.7
133.04956	12.8
133.10097	16.5
135.04486	1.7
135.11673	37.0
137.05928	1.5
137.09605	4.5
137.13235	23.5
139.11168	5.4
143.08554	1.1
145.04955	8.3
145.10152	4.5
147.04372	2.2
147.11682	18.2
149.13239	32.4
151.14812	6.1
153.12709	2.3
157.10045	1.6
159.11623	4.0
161.13203	10.5
163.05956	1.2
163.14798	18.0
165.09023	1.5
165.12747	4.1
165.16368	2.1
167.06963	1.8
173.13249	1.3
175.14767	4.6
177.05431	2.7
177.16360	10.6
181.04932	2.0
183.13771	4.4
189.16367	4.9
191.17929	7.4
203.17894	2.0
217.19423	5.3
231.20953	1.2
247.24190	5.0
251.69540	1.3
259.08063	1.8
265.08981	2.5
273.25693	32.7
279.26782	1.9
291.26743	36.6
295.10162	5.4
307.26248	1.5
309.27850	24.7
325.11096	2.6
327.28891	39.1
345.29712	1.5
387.29025	2.2
405.29800	4.6
423.31027	1.9
453.31897	1.8
457.68036	1.2
471.33017	2.0
489.34058	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	949.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	32.6
69.03414	84.8
69.07076	1.0
70.03725	0.3
71.04975	27.0
73.06539	1.6
77.06019	0.4
79.05472	4.9
81.03399	0.2
81.07037	6.1
83.04967	2.4
83.08610	1.7
85.02898	1.1
85.06527	39.2
87.04442	2.2
91.05462	6.0
92.08650	1.0
93.07015	6.4
95.04946	26.1
95.08578	6.3
97.06501	0.6
99.08070	0.7
101.06010	0.7
105.03366	0.4
105.07015	10.4
107.04963	0.4
107.08593	6.7
109.02850	0.6
109.06480	2.0
109.10133	3.7
113.05988	100.0
114.06336	0.3
117.07001	3.9
119.08557	7.3
121.06498	1.6
121.10102	4.7
123.04398	0.4
125.05964	2.6
125.19865	0.2
127.07533	0.4
128.06244	1.1
129.06967	3.6
131.08542	7.0
133.06445	0.5
133.10115	5.9
135.04404	0.3
135.08044	0.4
135.11678	3.9
137.05963	1.1
139.03908	0.3
139.07520	0.5
141.06985	1.7
142.07811	1.1
143.08546	6.5
144.09282	0.3
145.08600	30.5
145.10106	7.8
147.08044	1.1
147.11676	6.1
149.05966	0.5
149.09610	0.3
149.13216	2.7
151.07468	0.3
153.05464	2.0
153.06870	0.3
155.07196	0.5
155.08499	3.8
156.09314	0.3
157.06483	0.5
157.10118	5.4
159.08025	0.4
159.11661	7.9
159.12935	0.4
161.09566	0.4
161.13210	6.5
162.13591	0.3
163.07523	1.3
163.11143	0.6
166.07741	0.4
167.08528	1.8
168.09326	1.2
169.10089	3.3
171.08066	0.4
171.11653	3.5
173.06114	0.4
173.09647	0.3
173.13234	2.0
175.07526	5.5
175.14806	1.4
177.09138	0.6
181.10043	3.3
183.11656	5.2
185.09589	1.1
185.13213	3.9
187.07516	1.0
187.14830	1.7
189.09090	2.0
189.16389	0.6
191.10675	0.4
193.08553	0.5
193.10120	1.0
195.11667	2.7
197.09610	0.4
197.13214	3.5
199.11150	1.0
199.14813	3.0
201.09058	1.2
201.12730	0.4
201.16328	2.0
203.10672	1.4
207.11659	1.1
209.09642	0.6
209.13177	2.5
211.11154	1.9
211.14828	1.8
213.09102	1.3
213.12784	0.3
213.16376	0.6
214.17197	0.3
215.10719	0.9
215.14307	0.3
215.17900	2.7
217.12193	1.0
221.13249	1.4
223.11246	0.5
223.14789	1.5
225.12827	0.6
225.16377	1.0
227.10631	6.4
227.14236	0.6
229.12202	5.1
231.13788	0.6
231.17415	1.0
235.14775	2.6
236.47221	0.3
237.12769	1.0
237.16258	0.7
239.18060	0.4
241.12231	2.7
243.13705	2.1
247.13150	0.5
249.16310	1.7
251.17856	1.5
253.19408	2.3
255.13734	3.5
263.17911	0.6
267.13766	0.5
267.17361	0.4
269.15399	1.1
277.16180	0.4
277.19504	2.0
279.21136	0.3
281.15408	1.3
281.22729	0.3
291.20993	4.1
293.22632	0.4
295.16913	1.1
295.20560	1.0
301.19452	0.6
309.21967	3.4
319.20459	4.5
337.21545	38.6
338.21994	1.3
355.22601	46.6
356.22906	1.2
373.23660	63.7
374.24130	2.0
397.23560	0.4
415.24738	3.3
429.22699	0.3
433.25742	9.6
433.31039	0.5
499.30469	10.6
517.31616	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	948.6247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	49.3
69.07038	15.3
71.08611	37.2
74.96049	6.0
79.05473	43.4
81.07035	64.7
85.02876	27.3
85.10146	7.3
91.03909	12.9
91.05464	70.1
93.07025	52.2
95.08581	72.8
97.10130	6.1
105.07014	68.8
107.08553	28.6
109.10161	15.4
117.06966	26.2
119.08553	69.9
121.10091	12.1
123.11633	8.2
130.28452	6.4
131.08588	21.4
133.10104	54.2
135.07997	8.3
135.11642	28.3
143.08527	7.5
145.10115	25.5
147.11682	59.7
153.02197	6.8
159.11703	15.0
161.13234	13.3
162.74455	6.2
175.14680	10.0
185.13254	9.8
241.19453	14.8
259.20557	75.3
264.87921	6.7
313.27295	94.9
333.24146	61.6
571.46887	15.0
589.47949	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	949.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.3
68.99773	0.2
69.03417	2.1
71.04603	0.3
71.04974	5.6
75.04462	0.2
77.00579	0.1
78.04688	0.1
79.05463	0.3
81.03397	5.0
81.07034	0.5
83.04958	0.5
85.02889	9.2
87.04433	0.5
89.03896	5.2
90.84937	0.1
91.05450	0.7
92.08789	0.6
93.07013	0.3
93.82443	0.1
95.04926	0.2
95.08581	0.5
97.02863	1.3
99.04430	0.6
103.05444	0.3
105.06990	0.2
106.04168	0.2
106.87170	0.1
107.08587	0.2
109.02860	2.1
109.06457	0.1
109.10088	0.2
111.00789	0.3
113.06020	0.2
117.03360	16.7
118.61870	0.1
119.04923	0.2
119.08579	0.1
121.02851	0.9
121.06470	0.1
121.10130	0.2
123.04444	0.2
127.03882	2.6
129.05447	0.7
129.30089	0.1
131.04889	0.2
133.00294	0.1
133.10156	0.2
134.03589	1.0
135.04390	1.8
136.07544	0.2
137.02328	5.8
137.03384	0.3
137.05959	0.3
137.09589	0.3
145.02831	56.5
146.03209	0.2
147.04420	0.6
149.02319	0.6
149.05965	6.4
149.07080	0.3
153.01808	2.0
156.68022	0.1
161.05960	0.2
162.03069	0.3
163.03896	2.3
165.01837	0.9
165.09151	0.2
167.03221	0.2
167.06999	0.3
171.02888	0.2
175.03932	0.2
177.05437	100.0
178.05765	1.0
181.04959	0.1
183.02759	0.3
186.05429	0.9
187.03804	0.2
191.03419	0.1
195.06508	1.0
199.03754	0.1
200.09439	0.2
201.05476	0.7
219.02895	0.2
225.10193	0.2
227.11797	0.2
229.04932	2.3
229.13322	0.2
247.05959	0.6
255.11227	1.2
257.04337	1.6
261.03946	0.2
269.12701	0.2
274.04596	0.2
285.03870	0.6
285.12344	0.2
295.10608	0.2
297.12262	0.8
303.04938	56.1
304.05286	1.0
307.26337	0.3
312.97244	0.1
315.13309	1.4
321.06329	0.2
321.09601	4.5
321.12769	0.2
339.10712	8.3
345.05887	0.5
415.68964	0.1
423.15286	0.3
441.16397	1.0
459.17297	1.5
516.44006	0.1
516.52911	0.2
641.14838	3.0
655.24860	0.5
699.29529	0.3
735.31476	0.2
853.23627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	48.7
67.56126	1.7
69.03434	2.0
69.07046	14.1
71.08617	28.9
73.02898	3.6
79.05474	37.2
80.80905	1.9
81.07037	54.8
83.08601	16.6
85.02894	20.9
85.10170	13.1
91.03937	15.4
91.05470	21.4
93.07018	37.0
95.08580	53.6
95.09189	2.5
97.02870	12.0
97.10156	4.1
105.07002	14.8
107.08572	18.6
109.10150	27.1
111.11729	2.2
117.07011	9.5
119.08589	4.7
121.10096	17.7
123.11688	8.4
130.34167	2.4
131.08562	11.4
133.10089	3.6
135.11678	13.2
145.05000	2.5
145.10127	7.7
147.11655	3.5
149.13229	4.1
159.11708	4.8
159.21201	2.0
161.13286	2.4
163.05977	4.4
163.14775	2.9
211.95966	2.4
243.21074	8.9
244.31067	2.0
261.22095	33.9
317.24594	2.8
327.28885	100.0
335.25742	68.6
468.47525	2.3
587.50128	58.6
605.51129	18.5
619.81128	2.4
933.35376	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	946.6089
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	16.0
68.26095	0.9
69.07046	6.9
69.41896	0.9
71.04887	1.0
71.08611	10.8
72.65515	0.9
78.74861	1.2
79.05476	14.3
81.07040	16.6
81.07487	1.5
83.08582	2.7
84.32952	0.9
85.02843	0.9
85.06525	1.2
85.10162	4.3
89.47321	1.1
91.05457	22.2
93.07008	16.0
95.04944	1.5
95.08585	14.2
97.10127	1.5
105.07003	20.3
107.04911	3.8
107.08554	9.5
109.06480	1.5
109.10136	9.1
112.93209	0.9
117.06979	8.6
119.08570	16.4
121.10107	6.2
123.08077	1.7
123.11681	1.3
128.58965	1.1
131.08519	12.9
133.10062	11.6
135.11671	4.1
145.10066	6.4
147.11708	4.3
159.11635	4.9
173.13213	1.5
185.13240	1.3
201.16386	1.7
206.40393	1.2
219.17400	62.7
247.20642	1.2
257.18967	1.5
275.19937	12.1
313.27277	19.8
349.23676	11.0
587.46582	100.0
588.46411	4.1
679.30212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	2.8
69.03410	2.9
73.02908	5.1
81.07049	1.4
82.67926	1.2
85.02905	6.8
88.31058	1.0
91.03944	2.2
92.08665	4.2
92.09289	5.4
93.07000	1.4
95.08588	2.6
97.02885	6.3
109.10133	1.1
121.10121	1.5
217.44691	1.4
218.58357	1.3
223.74977	1.2
280.20206	1.4
347.09485	2.4
405.13919	6.3
505.28146	4.3
519.29449	5.0
579.25067	1.8
667.33319	7.3
681.34467	2.9
945.55243	100.0
946.55414	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	945.7169
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	22.3
69.07049	11.0
74.31580	6.4
79.05478	8.7
81.07040	46.8
83.08610	11.5
91.05473	12.8
93.07041	39.8
95.08575	100.0
97.10140	8.4
105.07028	45.7
107.08586	60.3
109.10116	52.3
111.08049	6.2
114.73714	5.6
116.91796	4.8
119.08550	91.5
121.10119	76.6
123.11684	25.0
131.08525	21.4
133.10080	64.0
135.11673	44.2
139.11224	6.3
145.10118	53.1
147.11636	59.6
149.13252	54.3
150.71704	5.8
157.10155	7.7
159.11659	33.4
161.12013	5.0
161.13126	42.5
163.14763	39.6
171.11710	7.5
173.13203	35.9
175.14784	31.0
177.16368	25.5
185.13306	6.2
187.14786	47.7
189.16341	66.4
191.17921	47.8
199.14734	9.1
199.53133	7.0
201.16380	32.7
203.17914	45.8
205.15875	7.0
207.17320	29.8
213.16412	6.9
215.17838	23.0
325.31885	6.8
391.33453	7.1
409.34494	72.8
427.35550	34.6
437.33994	64.6
455.35135	51.0
473.36130	83.6
855.45093	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	941.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35789	0.6
67.05501	5.5
69.03423	4.3
69.07067	0.9
71.01357	0.7
71.04984	1.0
73.02895	5.2
77.00475	0.6
79.05480	2.9
81.03415	3.2
81.07037	4.8
83.08623	1.4
85.02888	9.9
91.03963	2.8
91.05473	3.5
93.07049	3.0
95.04948	0.8
95.08607	3.4
97.02853	7.1
97.10114	0.7
99.70786	0.6
101.02357	1.6
105.07043	1.6
107.08583	2.4
109.02888	0.8
109.10172	4.5
119.08572	1.2
121.10167	1.6
127.03917	1.3
133.10165	1.4
150.93382	0.6
159.59183	0.6
184.57460	0.7
185.34563	0.7
202.97678	0.8
203.05446	0.7
223.86639	0.7
243.08508	3.1
260.74020	0.8
283.15210	3.4
342.71170	0.8
347.09485	1.5
351.24567	0.8
365.10611	0.7
405.13699	6.3
483.38361	3.1
484.38309	2.7
497.10138	0.7
501.22818	5.8
519.29083	7.1
547.10663	0.8
663.28265	5.2
681.34576	11.4
739.81354	0.7
779.45740	2.6
830.88660	0.8
941.50653	100.0
942.51404	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	941.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.8
69.03426	4.0
69.07056	0.7
71.04969	0.8
73.02906	5.9
79.05482	3.7
81.03416	4.0
81.07041	6.9
83.04963	1.0
83.08629	0.7
85.02889	8.6
87.04466	0.7
91.03972	3.7
91.05481	2.7
93.07040	2.6
95.04947	0.7
95.08598	3.7
97.02864	6.3
99.04449	0.9
101.02366	1.0
105.07070	1.0
107.08612	0.8
109.10165	1.3
119.08572	2.4
121.10148	2.6
127.03976	1.5
131.08620	0.7
144.83827	0.7
185.04350	0.9
243.08519	2.6
282.21521	0.7
283.15231	3.1
313.27441	0.8
329.99564	0.7
347.09546	4.0
357.17273	0.6
365.10684	0.8
405.13538	8.9
434.73627	0.7
468.03503	0.7
481.32895	1.0
483.38031	6.7
484.38345	6.2
492.46805	0.7
501.22858	5.0
519.29211	6.2
528.62097	0.9
663.27887	4.9
681.34540	11.3
779.45642	1.2
941.50586	100.0
942.51074	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	939.6007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72018	0.8
67.05477	1.3
69.03400	2.8
73.02899	4.2
79.05521	1.0
81.03407	0.9
81.07043	1.5
85.02911	4.7
91.03948	2.1
95.08620	1.7
97.02894	5.6
101.02369	2.0
111.57074	0.9
114.36848	1.1
142.27242	0.9
144.62802	0.8
149.66708	0.9
172.61505	0.9
191.90251	1.1
243.08546	1.7
309.13565	1.1
347.09744	1.7
370.34235	0.9
405.13446	6.6
497.31186	5.3
521.30902	3.9
570.62732	1.0
609.43140	1.1
659.36450	4.2
683.36035	6.8
939.60059	100.0
940.60211	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	940.5985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	84.9
69.07043	25.8
73.02892	7.5
73.47179	2.6
79.05473	73.9
81.07033	100.0
83.08600	14.9
85.02904	21.6
87.13238	2.9
91.03917	12.8
91.05453	44.4
92.09026	16.9
92.63946	3.0
93.07018	77.4
95.04960	6.0
95.08582	76.2
97.02870	14.0
104.62103	2.8
105.06988	25.6
107.08572	45.4
109.10135	34.5
117.07001	14.0
119.08571	24.8
121.10092	29.3
123.11716	4.5
130.75055	2.8
131.08528	22.7
133.10092	20.2
135.11662	22.5
137.09523	3.0
143.08527	3.6
145.10085	17.9
147.11650	4.8
149.13220	7.3
155.59003	3.2
159.11639	15.2
161.13231	5.7
163.05936	3.5
173.13153	6.6
187.14853	4.5
223.56641	3.1
229.19211	2.9
245.18913	5.5
247.20473	19.0
259.20547	3.7
261.22018	11.8
321.24194	47.2
323.25464	4.0
335.25769	50.5
528.20013	3.3
581.45093	16.6
599.46674	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	938.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.9
66.71470	1.7
67.05493	100.0
69.03389	4.0
69.07060	16.8
71.04987	6.9
73.02894	2.9
73.25063	2.0
79.05473	63.5
81.03410	7.6
81.07038	53.8
83.04970	3.3
83.08613	18.4
85.02879	23.0
85.06522	4.4
87.04430	2.4
87.16675	2.1
88.49682	1.9
91.03938	3.1
91.05457	27.1
93.07019	54.8
95.04961	4.7
95.08585	38.7
97.02854	10.6
97.06506	1.9
97.10155	18.0
105.07006	24.0
107.08578	34.3
109.10141	43.4
111.08038	3.5
117.06989	4.6
119.08563	15.2
121.10106	16.7
123.08002	2.5
123.11653	2.3
125.09609	11.0
126.32458	2.3
127.03860	3.3
129.06938	3.0
131.08536	14.6
133.10132	10.1
135.11638	12.9
143.08545	2.6
145.10069	10.4
146.87732	2.1
147.11650	4.3
149.09566	2.2
159.11650	9.2
161.13246	3.6
163.11116	2.4
173.11674	9.1
173.13101	3.5
191.10646	2.4
191.51312	2.0
199.13203	2.7
209.11800	3.4
227.12766	3.5
229.14304	23.4
241.19635	2.5
243.21104	2.5
261.21994	14.1
267.16031	2.5
276.23245	2.2
301.16418	9.2
315.23148	2.3
327.23022	2.4
335.25714	48.7
376.51315	2.2
395.95789	2.2
437.56113	2.3
461.31375	2.2
477.35315	8.5
489.35739	15.0
525.35046	2.3
543.22870	2.1
543.36273	8.3
561.37805	13.6
579.38617	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	938.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	82.8
69.03413	4.8
69.07042	33.2
73.02895	5.9
77.41649	4.2
79.05471	62.1
81.07037	81.9
83.04963	7.3
83.08611	8.7
84.01203	5.4
85.02880	30.9
85.06572	6.0
85.11490	5.1
86.98670	5.1
91.03918	19.6
91.05460	63.1
93.07032	100.0
95.04946	7.4
95.08587	66.2
97.02862	21.6
97.06490	8.8
105.07020	44.3
106.24255	5.1
107.04926	6.6
107.08572	52.5
109.10126	29.8
111.04434	12.2
113.43800	5.3
117.06985	23.3
119.08583	37.5
121.10133	41.7
123.08034	5.7
127.03831	7.0
129.06975	4.6
130.60384	5.0
131.08556	34.1
133.10126	20.0
135.07988	9.0
135.11644	9.4
145.10094	24.6
147.11670	8.4
157.10034	5.7
159.11694	8.5
163.11137	4.8
173.09532	5.9
182.44580	4.3
191.10616	7.2
209.11769	33.5
227.12695	10.0
228.57787	4.6
244.01649	4.9
261.22043	6.4
283.15317	7.7
301.16504	26.2
335.25870	47.9
336.77097	4.7
469.33514	6.2
501.35223	6.1
525.35791	5.5
543.36646	61.6
561.37616	70.0
579.39258	7.9
942.43231	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	937.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	3.6
69.03417	3.1
69.07040	0.6
71.08639	0.5
73.02909	4.6
73.66528	0.5
79.05489	1.1
81.03416	0.8
81.07047	2.5
85.02880	6.3
87.04491	0.7
91.03922	3.6
91.05441	0.6
92.04540	0.5
92.08608	0.7
93.07041	2.1
95.08602	2.7
97.02858	6.3
100.80299	0.5
101.02366	1.0
109.10138	1.0
127.03894	1.8
133.10094	0.6
145.04948	0.5
185.04170	1.8
203.05420	0.6
243.08438	2.4
250.34264	0.5
313.27411	0.7
343.72507	0.5
347.09647	2.7
365.10498	0.8
405.13531	6.6
486.68985	0.5
497.30789	5.2
507.58524	0.6
519.29187	5.7
659.36005	3.1
681.34607	6.1
775.52277	0.8
937.58331	100.0
938.58710	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	935.6358
Annotation	Unknow
Peak:m/z	Relative Intensity
75.84840	0.2
81.07031	0.4
82.22659	0.2
173.07034	0.3
178.81062	0.3
209.31284	0.3
279.75922	0.3
479.31210	100.0
480.31836	3.3
497.32477	0.5
520.33972	1.5
698.67914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.3
67.05492	59.3
69.03405	3.8
69.07055	15.6
71.04970	4.9
73.02896	3.3
74.53693	0.7
78.97977	0.6
79.05473	47.1
81.03397	100.0
81.07036	60.2
83.04955	5.0
83.08600	22.2
83.72018	0.7
85.02894	10.7
85.06509	1.4
90.77058	0.8
91.03915	6.3
91.05456	40.7
93.07017	50.4
95.04337	1.0
95.04946	30.5
95.08579	45.7
97.02856	7.8
97.06481	6.1
97.10155	9.1
99.08102	0.8
105.04514	0.8
105.07008	32.6
107.04946	10.4
107.08572	26.6
109.06509	7.5
109.10143	17.0
111.04453	1.1
111.08074	7.7
115.05415	1.1
117.06997	7.9
119.04941	0.8
119.08553	27.5
121.06461	6.0
121.10124	28.2
123.04440	2.9
123.08038	4.3
123.11705	6.1
125.09605	6.2
127.03909	1.0
129.06970	14.9
131.08537	25.3
133.06467	3.8
133.10127	14.5
135.08006	1.5
135.11649	12.5
137.09592	1.3
137.13239	1.3
139.11084	1.1
142.07765	1.5
143.08563	3.7
145.04955	1.1
145.10104	14.2
147.08026	5.8
147.11670	16.9
149.09608	5.7
149.13216	5.3
155.08583	1.6
157.10110	11.7
159.08058	0.8
159.11633	9.3
161.13248	5.1
163.05948	1.0
163.11111	3.7
163.14758	3.6
165.12689	1.7
169.10062	1.5
171.11601	1.6
173.09616	0.9
173.13271	5.7
175.11148	11.3
175.14717	1.2
177.12845	0.8
185.13185	3.2
187.14789	1.8
189.11172	1.4
193.12198	19.7
201.16528	1.0
211.13264	1.0
215.14214	0.9
227.12714	4.2
235.13194	1.2
243.21066	4.3
249.14787	1.0
259.13211	0.9
261.22073	10.7
267.15842	66.7
301.14484	1.0
301.25226	4.4
303.23373	0.9
309.16928	3.5
317.24762	1.8
333.24371	1.1
335.25729	52.5
336.26202	1.0
395.68231	0.9
421.25748	1.8
435.27118	1.6
435.32278	4.2
453.33704	6.0
471.34497	3.7
509.36209	1.0
527.37207	61.0
528.37952	1.0
545.38269	69.6
546.38336	1.8
559.39697	1.5
569.38403	8.0
577.40491	1.7
587.39362	1.2
623.39191	3.0
635.39282	3.4
653.40259	1.1
671.41400	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	934.6451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76472	0.7
67.05141	1.8
67.05489	47.6
67.05845	2.0
67.51285	0.9
69.03392	4.2
69.06707	1.3
69.07052	21.6
71.04948	0.8
71.08611	29.7
72.91477	0.9
73.02888	5.5
75.04470	0.9
79.05468	11.4
81.03393	1.1
81.07034	55.0
83.08593	19.7
85.02888	18.5
85.06516	1.7
85.10146	14.2
89.05982	1.0
91.03930	13.2
91.05451	9.2
93.07018	15.7
94.79638	0.9
95.04935	1.2
95.08577	55.9
96.27964	0.9
97.02858	11.1
97.06497	2.0
97.10132	9.2
105.06987	6.1
107.08569	11.5
109.10136	27.3
111.08002	1.0
111.11740	1.1
115.03867	1.3
119.08521	7.0
121.10109	8.6
123.11652	11.5
127.03863	4.2
133.10092	7.9
135.06425	1.0
135.11650	4.6
137.13214	2.3
145.04938	4.0
147.11661	1.9
149.13225	2.2
151.14813	1.1
161.13268	1.3
163.05948	5.4
163.51715	1.0
175.14766	1.5
239.23592	3.5
245.22702	3.8
247.69533	0.9
254.44002	1.0
257.24554	3.8
263.23639	10.7
308.99985	0.9
313.27307	100.0
314.27673	1.7
337.27283	78.4
391.43246	1.0
436.42410	1.0
550.44678	1.0
575.50165	76.6
576.50714	1.7
593.51208	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.7
67.05493	33.7
69.03416	48.0
69.07053	43.8
71.04980	3.3
71.08611	19.9
71.09003	0.6
73.02897	2.8
75.04453	1.1
75.21445	0.5
79.05045	1.1
79.05471	18.5
81.03400	8.8
81.07037	95.1
83.01331	0.8
83.04525	0.5
83.04948	4.6
83.08602	49.3
85.02890	54.7
85.06526	1.0
85.10172	9.6
87.04449	25.1
89.74628	0.6
91.03924	1.0
91.05450	6.5
93.06419	1.0
93.06586	1.0
93.07021	48.0
95.04947	4.1
95.08584	100.0
97.02868	45.5
97.06512	4.8
97.10144	33.6
99.04431	5.4
103.03896	0.9
103.05526	0.6
105.07011	4.4
107.04971	0.8
107.08578	44.2
109.02877	3.7
109.06518	1.0
109.10140	69.2
111.04416	1.4
111.08089	4.3
111.11700	21.5
113.05982	0.9
115.03909	29.8
116.98656	0.6
117.05524	1.0
117.06995	1.3
119.08566	2.7
121.09251	1.3
121.10124	32.4
123.04395	1.3
123.11681	35.8
125.09687	1.1
125.13245	6.6
127.03889	11.3
127.11163	2.4
131.08559	0.8
133.04945	19.8
133.10159	1.0
135.11670	37.6
137.13237	14.2
139.03891	1.5
139.11122	1.3
139.14799	1.4
141.12665	0.7
145.04951	11.3
145.10130	1.0
147.11688	3.2
149.13237	66.9
151.14769	8.0
153.16367	0.7
157.04967	2.2
157.06396	0.5
159.84763	0.6
161.13232	1.4
163.06007	1.1
163.14799	17.7
165.05437	0.8
165.16325	9.7
167.14285	2.4
167.17909	0.8
169.04878	1.4
171.67093	0.6
177.16339	5.0
179.17935	5.5
191.17924	4.0
193.04797	0.7
193.19432	4.9
197.18953	0.7
205.19461	5.0
219.01865	0.8
219.21017	7.7
229.07059	2.4
237.02737	0.9
241.07037	0.8
247.08115	1.1
249.25676	8.2
259.08157	2.5
263.27277	6.8
265.09149	6.9
275.27283	58.0
277.09204	0.9
281.28299	9.9
293.28333	60.9
295.10123	6.8
299.29504	1.3
311.29382	35.8
325.11221	4.4
329.30453	26.0
337.21225	0.8
395.31677	0.7
407.31470	1.0
413.55838	0.7
419.31512	0.9
425.32144	0.8
437.32541	1.2
455.33585	2.5
491.35785	7.1
584.75873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.9
67.05489	31.1
69.03412	52.0
69.07050	41.1
71.01323	0.5
71.04961	3.6
71.08607	15.9
73.02891	2.6
74.09691	0.5
75.04457	2.7
79.05470	19.0
81.03397	7.1
81.07034	90.6
82.94492	0.4
83.01325	0.9
83.04965	4.1
83.08601	44.6
85.02886	59.8
85.06536	0.9
85.10163	9.7
87.04446	24.6
91.03951	1.0
91.04604	0.5
91.05455	6.1
93.07018	43.0
95.04936	3.7
95.08578	100.0
97.02861	50.2
97.06508	8.6
97.09506	1.1
97.10142	31.9
98.97625	0.5
99.04424	4.4
101.02347	0.7
103.03922	1.7
105.07008	4.1
107.04919	0.6
107.08575	40.3
109.02866	3.3
109.06495	5.4
109.10136	68.2
110.10464	0.6
111.03727	0.4
111.04430	2.8
111.08067	3.6
111.08690	0.6
111.11697	19.9
113.02345	0.5
115.03908	32.9
117.05502	0.7
117.78023	0.4
119.04805	0.5
119.08578	2.5
121.06514	0.8
121.09243	1.0
121.10114	29.1
123.04401	1.9
123.08054	0.9
123.11676	34.4
125.09538	0.6
125.13228	5.4
127.03891	14.4
127.04797	0.8
127.11160	2.2
131.08481	1.6
133.04933	18.3
133.10101	2.7
135.04391	0.8
135.11664	37.7
137.05913	0.7
137.13220	13.7
139.03848	2.0
139.11145	2.9
139.14783	2.3
141.12650	0.8
143.03371	0.5
145.04927	12.4
145.10107	1.8
147.08069	0.6
147.11694	1.8
149.04437	0.6
149.09575	0.9
149.13229	64.9
150.13573	0.8
151.14801	7.1
153.12650	0.6
153.16339	2.0
157.04909	2.0
157.10074	0.8
159.11620	2.5
161.04460	0.8
161.13161	0.8
163.03851	0.6
163.05989	2.2
163.14783	18.8
165.05486	0.5
165.09067	0.6
165.16354	8.1
167.14290	1.9
167.17947	0.8
169.04874	1.8
173.05981	0.5
173.13202	1.0
175.05954	0.6
175.14767	0.9
177.16344	5.5
179.17958	8.4
181.04881	0.5
185.13153	0.7
187.05907	0.5
191.17871	5.2
193.04829	0.7
193.19447	4.6
197.18958	0.6
199.14764	0.6
199.20555	0.6
205.19525	5.0
207.21043	1.1
210.54416	0.5
211.06009	1.0
219.21059	7.3
229.07108	3.9
236.30583	0.4
241.06905	0.9
247.08070	1.0
247.24072	0.8
249.25696	8.9
259.08118	3.4
263.27231	6.0
265.09064	6.4
275.27274	62.2
276.27618	0.6
277.09064	1.0
281.22437	1.0
281.28317	12.8
293.28305	66.7
295.10181	8.8
299.23734	4.8
299.29367	1.0
311.29364	36.8
312.29752	0.6
317.24738	4.5
318.24924	1.1
323.12717	0.6
325.11279	4.5
329.30447	26.5
371.29379	0.8
389.30145	0.9
406.87128	0.5
407.31467	2.1
419.31409	1.0
425.32379	2.4
437.32312	1.0
455.33478	2.0
479.29898	6.2
480.30045	2.5
491.35812	6.9
630.31702	0.6
828.59235	0.5
926.98694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.0
67.05494	24.7
68.05821	0.4
69.03416	66.9
69.07056	4.0
71.04972	8.6
73.02902	4.1
73.06532	0.4
75.90766	0.3
77.74702	0.4
79.05473	6.5
81.03401	10.5
81.07037	7.9
83.01329	0.6
83.04964	5.1
83.08617	1.5
85.02891	100.0
85.06524	6.0
86.03204	0.5
87.04459	5.6
91.03935	4.8
91.05461	2.3
92.05847	0.4
93.07021	4.5
95.04951	62.4
95.08575	6.1
96.05280	0.6
97.02874	28.6
97.06516	10.5
97.10165	0.4
98.03324	0.4
99.04439	5.1
101.02356	0.5
103.03918	1.8
105.07000	4.8
107.04929	0.8
107.08579	3.5
109.02875	10.8
109.06514	3.0
109.10138	3.1
111.04437	3.6
113.05991	92.2
114.06330	2.0
115.03909	2.0
117.06992	0.7
119.08596	2.9
121.06472	1.5
121.10119	3.7
123.04375	1.5
123.08007	0.8
123.11665	0.6
125.06001	0.8
127.03896	23.0
127.07510	0.9
129.05464	1.5
129.06961	0.8
131.08539	2.8
133.04951	0.5
133.06473	1.4
133.10114	2.0
135.04408	0.6
135.08063	0.5
135.11687	2.1
137.05965	2.0
143.08533	2.3
145.04942	29.7
145.08575	7.5
145.10123	3.0
147.08075	0.5
147.11682	2.1
149.05962	0.7
149.09587	0.5
149.13235	0.5
151.07491	0.5
153.05440	1.4
155.07005	0.5
155.08569	0.8
157.10109	2.5
159.07959	0.4
159.11632	2.2
161.09535	0.5
161.13251	0.8
163.06003	9.0
163.07381	0.8
163.14763	0.5
165.09084	0.7
166.01457	0.4
167.06992	0.6
167.08430	0.5
169.10104	1.5
171.11668	1.7
173.13203	1.5
175.14790	1.9
177.05470	0.4
177.16212	0.4
179.06966	0.7
180.08948	0.3
181.10039	1.5
183.11655	0.9
184.99794	0.4
185.09698	0.4
185.13231	1.6
187.14685	0.7
189.07539	4.4
189.09021	0.7
195.06561	0.4
195.11618	0.6
197.09703	0.5
197.13197	0.5
199.11098	0.6
199.14674	1.3
201.16333	1.7
203.06976	0.8
207.06412	0.4
207.11617	0.9
209.13211	0.7
211.11296	0.4
211.14644	0.5
213.07474	0.4
215.10512	0.4
219.17357	0.4
225.09204	0.5
227.10690	1.6
227.17908	4.4
239.09004	1.7
249.16418	0.5
253.12106	0.5
257.10138	6.9
271.13184	0.5
273.25607	0.6
275.11218	1.7
279.20987	0.7
289.09268	1.5
289.19473	0.7
291.26700	0.4
293.15231	0.4
307.20401	0.7
309.27835	0.8
310.28024	0.4
315.23251	0.7
317.19281	0.4
325.11264	12.1
325.21661	0.5
333.18359	0.5
335.19946	5.8
345.29932	0.7
351.18970	0.5
353.16736	0.7
353.21008	16.3
369.20370	0.8
370.20807	0.8
371.22186	8.8
387.21512	0.5
388.21509	0.5
389.22849	0.5
413.23199	3.7
413.84311	0.5
431.24213	39.6
432.24600	0.7
447.23767	0.8
448.23834	2.4
449.25168	5.7
485.79514	0.4
669.40051	0.4
939.52051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.2
67.05490	46.1
69.03419	2.7
69.07056	13.8
71.04988	0.7
71.08614	27.7
71.09012	0.9
73.02896	7.7
77.22433	0.5
79.03983	0.6
79.05472	28.5
79.19598	0.6
81.03387	0.8
81.07037	57.4
83.04939	0.7
83.08605	14.0
85.02888	19.4
85.06545	0.8
85.10165	16.1
89.06020	1.4
90.12962	0.6
91.03928	13.6
91.05460	15.3
92.08837	2.9
93.07022	36.5
95.04940	3.9
95.08583	55.4
97.02879	10.2
97.06517	2.6
97.10141	5.9
99.04455	0.8
105.07014	12.6
107.08576	21.9
109.02829	1.0
109.10139	23.0
111.11691	0.9
117.07001	4.2
119.08560	9.5
121.10120	18.9
123.08007	0.9
123.11691	10.5
127.03899	4.5
131.08546	10.2
133.10094	10.0
135.11674	15.0
137.13255	3.5
145.04967	3.8
145.10114	5.3
147.11687	5.2
149.13229	7.0
159.11674	6.4
161.13208	4.3
163.06075	4.6
163.14799	4.2
172.62418	0.6
173.13162	4.4
175.14801	1.5
177.16341	1.1
187.14835	2.9
215.18071	0.7
226.73167	0.7
239.23674	1.5
243.20967	9.2
257.24777	3.1
261.22095	32.6
279.22742	0.6
313.27313	100.0
313.68787	0.6
314.27823	0.7
317.24704	5.7
332.68900	0.6
335.25732	80.4
336.26157	0.9
380.47342	0.6
450.23251	0.7
547.21387	0.7
562.67914	0.8
573.48688	52.7
574.48846	2.7
591.49860	16.2
744.39319	0.8
790.42273	0.6
893.76685	0.7
951.19019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78226	0.3
79.05473	0.4
81.07011	0.4
114.36839	0.3
178.27682	0.4
291.19263	12.7
319.16357	0.4
325.16327	0.4
379.88940	0.3
455.23926	100.0
456.24347	2.0
495.30692	43.6
496.30688	1.3
680.47101	0.4
708.53424	0.4
752.04230	0.4
872.66388	0.5
927.48431	2.1
934.29620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	3.1
66.48425	0.3
67.05492	1.8
69.03415	7.1
71.05003	0.5
75.04476	0.7
75.70420	0.3
77.03934	0.4
78.04684	0.6
79.05483	5.4
81.03395	5.9
81.07045	0.9
82.04175	0.6
85.02884	8.3
87.04450	2.3
91.05454	7.3
93.03417	0.6
93.07011	0.8
94.04188	0.7
95.04947	5.1
95.08633	0.6
97.02868	6.1
97.06511	0.8
98.46949	0.4
103.05447	23.7
105.03371	1.3
105.07006	8.4
107.04947	8.5
109.02860	1.6
109.06505	0.9
110.03664	2.0
111.04455	2.6
115.03905	2.5
115.05423	7.7
116.06189	0.5
117.03316	0.5
117.06995	7.8
118.04125	6.3
119.04906	6.0
119.08551	0.6
120.05722	0.5
121.06483	2.7
122.03630	1.4
123.04411	5.6
124.05191	2.9
125.05951	5.3
127.03862	0.9
128.06201	1.4
129.06973	3.4
130.04156	0.8
131.04900	38.4
131.08533	2.2
132.05679	1.9
133.02834	4.8
133.04921	1.7
133.06461	9.8
134.03600	0.8
135.04395	0.9
135.08018	2.6
137.05952	33.5
137.09512	0.4
139.03889	0.5
139.07478	0.5
141.05405	0.5
141.06999	1.7
142.02625	1.5
143.04918	3.8
143.05957	0.7
144.05693	2.6
145.02789	0.8
145.05193	0.6
145.06458	13.6
146.03635	1.5
146.07280	0.7
147.04388	9.8
147.08025	3.3
148.05161	13.0
149.05972	4.3
151.03879	22.1
151.05072	1.0
151.07494	4.1
152.04683	2.4
153.05411	4.2
154.06200	0.4
155.04877	0.7
155.06042	1.6
156.05719	1.7
157.06493	3.0
159.04369	3.2
159.08017	3.4
160.05168	3.6
161.05959	13.4
162.06737	1.9
163.03876	0.8
163.07506	41.8
165.05412	1.6
165.06902	0.6
165.09087	1.8
167.06999	74.6
168.07310	0.6
169.06416	0.7
171.04344	0.6
171.06525	4.4
172.05185	0.5
173.04469	0.6
173.05951	17.7
174.06746	2.0
175.03899	0.8
175.07509	13.2
176.04646	3.2
177.05440	7.2
177.09090	1.5
178.06189	1.3
179.07011	9.9
179.08450	0.6
181.04919	77.3
182.05273	0.7
183.04378	0.6
184.05200	0.5
185.05894	0.8
187.07533	5.4
188.04718	0.4
189.05365	1.5
189.07042	0.4
189.09070	2.6
190.06207	7.3
191.06992	100.0
192.07495	1.5
193.04892	2.0
193.08582	4.7
195.06464	3.6
201.05460	2.5
201.09010	0.9
202.06244	1.7
203.06984	9.1
204.07770	0.5
205.06558	1.3
205.08540	14.8
206.09045	0.4
207.06342	2.6
207.08212	0.7
207.10133	1.8
209.08029	1.7
209.09717	0.5
211.07643	0.5
213.05563	0.4
215.07114	1.2
217.08540	11.4
219.06305	0.5
219.08011	1.5
219.10106	4.4
220.07198	0.7
221.06006	0.6
221.07968	5.5
225.07477	0.6
227.07040	0.5
229.08447	1.7
231.06389	0.5
233.05876	0.5
233.08057	9.7
234.06621	0.6
235.07477	1.6
235.09590	8.0
236.08215	0.6
237.08980	1.9
241.08611	0.6
245.07935	3.0
247.07454	0.6
247.09639	1.5
250.06230	0.6
252.07742	0.7
253.08572	0.6
259.09732	0.5
261.11356	0.5
263.07019	1.2
263.09106	23.1
264.07678	0.7
265.08405	1.6
265.10849	5.3
267.10153	4.6
269.07782	0.5
271.09561	1.5
275.09042	0.5
277.08395	0.9
278.09009	0.6
279.06323	0.6
279.10184	0.9
281.10214	2.3
283.09500	0.8
292.07315	0.8
293.10379	3.0
295.09512	1.8
296.10120	0.4
297.11148	2.2
299.09253	0.7
299.12717	0.5
301.10431	0.5
305.07916	0.5
307.09598	2.0
308.10037	0.4
309.07648	0.5
311.11844	0.5
315.08621	0.5
321.10895	0.6
323.08841	0.4
325.10535	3.0
327.12073	0.8
329.13641	1.3
330.10947	0.8
331.11646	0.6
337.10672	1.5
339.08237	0.4
339.12134	2.1
348.09164	0.4
353.09882	0.5
355.11499	2.5
357.13245	5.2
359.14297	0.5
367.11603	1.5
369.13284	2.8
371.14954	0.6
383.14722	2.1
385.12637	7.5
387.14273	15.3
389.15598	0.5
389.34155	0.4
399.14227	3.6
401.16037	3.2
413.15714	2.2
417.15363	37.3
418.15604	0.7
517.18365	0.5
547.19385	1.6
549.20844	2.2
579.21472	1.6
711.23901	0.9
800.39972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	0.3
67.05508	2.4
68.05827	0.3
69.03421	6.4
70.03751	1.0
71.04971	1.1
73.02897	0.3
79.05493	1.1
81.03410	1.3
81.07069	0.4
83.05013	0.3
85.02886	9.8
85.03358	0.4
85.06541	0.4
86.03233	1.7
87.03294	0.5
91.03963	0.4
91.05452	0.3
93.07024	0.4
95.04951	6.1
95.08602	1.0
96.05292	1.3
97.02882	2.9
97.06495	1.0
98.03246	0.5
99.04447	0.3
102.96844	0.3
105.07029	0.3
107.08567	0.4
109.02903	0.6
109.10183	0.5
112.79205	0.2
113.05985	7.7
114.06320	2.3
115.06391	0.3
119.08574	0.3
127.03126	0.3
127.03873	2.5
128.04247	0.4
133.10164	0.2
137.05981	0.3
145.04924	2.3
145.10110	0.3
146.05423	0.4
151.07539	0.4
158.99687	0.4
163.06026	0.4
177.00806	0.3
241.02112	0.4
244.89519	0.2
325.11212	1.1
337.21643	0.5
338.22134	0.6
347.09534	0.6
365.10361	0.5
373.23749	0.3
374.24283	0.5
405.13995	0.4
471.70944	0.4
472.19818	0.4
472.70123	0.3
491.17569	1.3
509.18396	0.5
691.93018	0.3
786.79968	0.3
863.39996	1.8
923.42291	100.0
924.42841	3.8
938.70367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12823	0.8
67.05496	24.1
69.03420	9.0
69.07059	1.5
71.04984	11.2
79.05482	8.4
81.07031	15.6
83.04964	1.4
83.08588	1.8
85.02909	3.7
85.06539	19.4
87.04467	4.2
91.05470	8.1
93.07024	15.4
95.04950	28.1
95.08607	9.1
97.06546	1.2
105.07005	18.2
107.04951	1.5
107.08578	17.4
109.06546	6.5
109.10155	5.2
111.04459	1.1
111.08094	1.1
113.05991	72.3
115.27605	0.9
117.06986	3.6
119.08588	10.6
121.10116	7.7
125.05972	35.8
129.06984	3.5
131.08531	10.6
133.10114	12.0
135.04393	1.0
135.11678	5.3
137.05978	1.4
141.07004	1.9
143.08566	7.7
145.05055	1.2
145.08620	12.5
145.10106	14.6
147.11710	8.3
153.05431	23.4
155.07019	15.9
155.08517	3.7
157.10133	7.5
159.11670	16.4
161.09612	1.1
161.13249	5.5
163.07582	1.2
167.07103	1.5
169.10146	3.6
171.11687	5.4
173.09517	1.0
173.13274	5.8
175.13445	1.2
175.14752	7.3
177.09033	1.2
181.10104	1.5
183.11626	4.7
185.09575	1.0
185.13176	7.0
187.11223	1.1
187.14841	4.0
189.09059	1.0
189.16379	4.5
195.11700	4.9
197.13263	4.5
199.14828	5.1
201.16374	17.0
207.11800	1.3
209.13284	3.3
209.42102	0.8
211.14827	1.7
213.12709	1.0
213.16331	3.3
215.10533	1.0
215.17923	4.4
217.12181	1.2
219.11621	0.9
221.13135	1.7
223.14870	1.8
225.16269	1.2
229.12177	1.5
235.14851	1.7
241.12073	1.3
243.13850	0.9
251.17923	1.3
253.19478	1.3
255.13654	1.7
273.15051	1.2
277.19479	4.8
281.15375	1.1
291.21060	5.4
293.22351	0.9
309.22061	3.8
319.20538	4.6
337.21524	27.4
338.21906	1.7
355.22610	58.3
356.22797	1.9
371.22165	1.5
372.22903	1.0
373.23657	100.0
374.24051	6.8
385.34558	1.2
389.23163	0.9
390.23416	1.4
391.24677	9.0
490.40277	1.0
506.52658	1.0
517.31256	1.3
527.52252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.7905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83708	1.2
67.05499	28.0
69.03405	2.5
69.07053	22.3
71.04974	1.7
76.78484	1.4
79.05480	12.1
81.07043	64.5
83.08614	15.6
85.02875	1.5
91.05466	9.6
93.07026	37.7
94.78150	1.2
95.08587	100.0
97.06508	9.1
97.10152	8.1
97.13023	1.4
105.07009	30.6
107.08581	71.4
108.11294	1.6
109.06458	2.2
109.10150	94.9
111.11720	2.1
117.07019	1.8
119.08569	47.3
121.10127	58.6
123.08035	2.0
123.11687	26.8
125.09631	5.1
131.08527	6.4
133.10126	25.2
135.11674	54.2
137.13245	13.8
137.14833	1.3
145.10068	11.3
147.11678	32.5
149.13251	21.4
151.11156	1.8
159.11664	12.5
161.13249	24.2
163.14798	19.4
165.12674	1.7
167.81393	1.5
171.11685	1.9
173.13261	6.9
175.14807	10.6
177.16393	8.1
179.14330	6.2
187.14809	7.0
189.16345	26.5
191.17906	40.8
197.36020	1.3
201.16299	9.7
203.17921	21.6
205.19536	6.9
207.17441	17.3
215.17911	8.9
217.19489	25.4
233.18855	1.8
235.20509	4.6
297.25647	1.7
299.27344	1.9
325.62024	1.4
343.29770	3.0
407.36737	22.4
425.37738	97.4
426.38318	1.8
443.38736	8.5
518.29254	1.6
575.22876	2.2
659.35022	1.8
747.98260	1.5
831.47058	18.5
832.47144	2.8
921.48688	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	921.79
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33668	1.2
67.05494	28.4
69.07057	20.3
70.01630	0.9
71.08620	1.2
79.05473	15.6
81.07036	61.9
83.04983	1.5
83.08601	10.0
87.82065	0.9
91.05441	14.0
93.07026	44.4
95.04947	1.5
95.08581	100.0
97.06494	7.0
97.10159	7.6
99.08084	1.1
105.07006	28.6
107.08574	73.4
109.06568	1.8
109.10141	94.4
111.08051	1.6
111.11712	2.3
117.06985	1.4
119.08563	45.1
121.10119	56.3
123.08018	1.6
123.11677	29.4
125.09619	6.4
127.11153	1.7
128.63161	1.0
131.08540	6.3
133.10100	37.3
135.11668	52.9
135.12675	1.9
137.13232	11.5
145.10078	10.1
147.11670	30.6
147.76271	1.0
149.13229	30.0
151.14803	1.7
151.66611	0.8
159.11679	15.9
160.12445	1.0
161.13228	29.9
163.11073	1.2
163.14803	24.4
165.12749	1.7
165.86069	1.2
171.11696	1.3
173.13228	5.9
175.14786	12.6
177.16376	10.0
179.14357	5.3
185.13148	1.4
187.14778	6.2
189.16365	28.8
191.17908	48.7
191.46788	1.0
200.02911	0.9
201.16312	11.2
203.17918	21.1
205.16216	1.0
205.19514	8.0
207.17427	16.8
215.17973	7.3
217.19482	28.3
219.21152	1.5
221.18950	1.9
229.19409	1.5
231.21039	1.6
233.18994	1.7
235.20518	6.2
243.21013	1.1
245.22572	1.9
257.22571	1.3
297.25735	1.8
299.27347	3.9
315.26804	1.3
343.29932	1.9
407.36618	20.0
425.37701	98.9
426.37909	4.9
443.38541	9.9
534.07983	1.1
547.69250	1.2
608.69019	1.3
674.90118	1.1
936.97156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33464	1.4
67.05483	9.1
69.03118	1.1
69.03418	14.6
69.07043	1.5
71.04966	2.7
79.05470	2.5
81.07027	7.4
83.04966	2.8
85.02881	5.2
85.06520	7.1
91.05465	1.5
92.08566	1.4
93.07028	5.9
95.04929	10.9
95.08601	6.3
97.06508	21.8
105.06988	9.8
107.08591	6.2
109.06501	21.1
109.10168	1.5
113.05985	18.3
117.06939	1.9
119.08530	5.7
121.06477	6.6
121.10137	3.2
123.08032	7.7
129.07002	1.4
131.08548	7.1
133.10092	6.9
135.08043	6.4
137.09625	1.9
142.07729	1.6
143.08513	11.4
145.08603	5.8
145.10120	10.1
147.08052	1.9
147.11752	2.2
149.09546	1.4
155.08557	1.7
157.10066	10.6
159.11603	5.9
161.09589	1.9
163.03877	2.2
169.10095	3.1
171.11699	3.0
173.09552	6.0
173.13243	5.1
175.11150	6.9
177.12703	2.1
179.08498	1.3
181.10107	3.0
181.69774	1.3
183.11673	5.5
185.09515	2.1
185.13173	2.4
187.11154	7.8
189.12708	2.9
193.10066	1.7
195.11729	3.0
197.13237	2.8
199.11179	1.6
201.12700	5.5
203.14224	2.5
209.13289	3.3
211.11162	2.2
211.14703	1.6
215.14224	10.3
219.11732	2.0
223.14729	1.7
229.15717	1.6
234.38240	1.2
235.14844	3.1
237.02675	1.7
237.12643	1.5
239.72575	1.4
241.15826	1.7
249.16302	2.0
251.14215	1.5
251.17891	9.0
253.15814	8.6
265.19232	1.6
269.18979	8.9
275.17975	2.5
293.18985	21.9
311.19958	100.0
329.21036	48.3
335.19919	1.9
353.20984	8.0
371.22040	6.9
413.22763	2.0
431.24103	2.3
689.26544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.535
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	5.9
67.73029	0.5
69.03411	7.7
69.07050	1.3
71.04960	1.4
73.24376	0.6
76.33568	0.7
79.05478	4.1
81.07040	8.3
83.04953	2.3
84.73804	0.6
85.06515	0.8
87.04436	0.7
91.05475	4.1
93.07012	5.9
95.04954	6.4
95.08579	6.8
97.06505	2.9
105.07018	11.4
107.08590	4.8
109.06504	2.8
109.10147	6.0
113.06001	8.9
115.05371	0.6
117.06982	2.4
119.08560	14.1
121.06464	0.6
121.10108	2.8
123.08031	1.1
123.11689	1.2
128.06177	1.3
129.06976	1.0
131.08536	14.2
133.06476	0.9
133.10103	16.4
135.08025	19.7
135.11661	1.3
135.32286	0.6
137.09605	7.3
137.18796	0.5
141.07050	0.6
143.08540	14.8
145.06451	1.1
145.08572	3.3
145.10117	6.9
147.08038	3.3
147.11661	11.1
149.09576	1.1
155.08545	5.5
157.10112	5.8
159.08040	11.4
159.11650	3.6
161.09592	13.5
165.06940	0.9
167.08530	1.1
169.10072	4.6
171.07964	4.2
171.11632	2.8
173.09586	11.8
175.11162	6.1
179.08533	0.6
181.10097	5.9
183.11612	2.8
185.09569	3.2
185.13190	1.0
187.11150	3.4
192.09245	1.2
193.10120	6.1
194.10869	0.7
195.11650	5.6
197.09604	2.1
197.13173	1.4
199.11172	3.8
199.14946	0.6
201.12498	0.7
205.10088	3.3
207.11649	4.2
209.09512	1.0
209.13191	4.1
210.10324	0.9
211.11183	4.8
211.14737	2.7
213.12741	3.0
215.10641	3.1
218.10857	1.1
219.11658	26.3
219.73849	0.6
220.12447	1.1
221.13181	1.3
223.11163	3.7
223.14763	5.7
225.12767	4.6
227.10612	1.2
227.64096	0.6
228.11385	0.8
229.12112	2.4
231.11658	2.7
232.12384	0.8
233.13211	2.7
235.11293	0.8
235.14767	5.0
237.12727	5.6
237.16304	1.3
238.13481	1.0
239.14235	3.6
241.12138	0.9
245.13130	2.7
246.14026	1.4
249.12787	4.8
249.16335	2.4
250.13460	0.7
250.17018	0.8
251.14304	1.4
251.17870	3.8
252.15007	0.8
253.15804	4.8
255.17332	1.1
260.15591	2.8
263.14282	2.6
264.15018	4.1
265.15546	1.0
265.19449	2.7
267.17392	5.2
269.18991	2.5
275.17899	15.3
278.16626	16.9
282.61523	0.7
283.20639	0.6
293.18933	79.2
294.19092	0.8
311.19983	70.7
329.21048	100.0
335.20233	0.8
353.20996	3.7
371.22034	2.8
431.24109	5.2
501.48163	0.6
509.49796	0.6
769.94684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	0.3
67.05493	8.8
68.62758	0.3
69.03415	18.1
69.07052	2.7
70.03718	0.3
71.04975	7.2
73.02890	2.5
79.05466	2.3
81.03398	6.2
81.06583	0.5
81.07039	8.9
83.04967	1.5
83.08603	1.6
85.02888	100.0
85.06518	6.4
86.03217	0.3
87.04432	3.3
88.07722	0.2
91.03921	4.4
91.05454	1.9
93.07018	7.9
95.04944	11.3
95.08584	15.5
96.05285	0.3
97.02869	24.2
97.06507	1.6
97.10147	0.6
99.04433	5.5
101.02345	0.5
101.06001	1.5
103.03912	1.2
105.07014	4.1
107.08574	11.0
109.02860	8.7
109.06504	0.5
109.10127	7.0
111.04420	0.6
113.05987	29.4
114.06303	2.1
115.03915	1.4
117.07001	0.4
119.08559	6.1
121.06534	0.3
121.10111	10.9
121.99979	0.3
123.08045	0.3
123.11681	2.9
125.25207	0.2
127.03888	25.0
127.07565	0.3
129.06969	0.4
131.08549	1.9
133.10106	5.9
135.04372	0.2
135.08052	1.5
135.11661	10.5
137.13251	2.8
140.59514	0.3
141.23691	0.3
143.08635	0.9
145.04936	37.9
145.08606	4.8
145.10057	2.1
146.08936	0.4
147.11667	5.6
149.09612	0.5
149.13239	5.8
151.14841	0.3
153.09090	0.3
155.08684	0.3
157.10139	1.8
159.11687	3.9
161.09590	0.6
161.13278	2.8
163.05981	16.0
163.11171	0.6
163.14772	2.5
171.11667	0.5
173.13220	2.4
175.11194	0.4
175.14818	1.6
176.73369	0.3
177.12686	2.1
177.16315	0.4
179.10657	0.4
181.12192	0.3
181.26640	0.2
183.11655	0.4
185.13165	0.4
187.11205	0.3
187.14845	1.3
189.09103	1.6
189.12750	0.4
189.16371	1.8
191.14339	1.7
191.17911	13.8
191.19641	0.5
193.12140	0.3
195.13802	1.7
199.14812	0.3
201.16360	1.0
203.10710	0.5
203.17960	2.2
205.19386	0.5
207.13748	0.4
209.15302	2.9
215.17908	0.3
217.19489	1.1
219.17487	0.3
221.15399	0.4
226.17094	0.3
227.18098	0.3
229.15897	0.4
235.16905	1.0
249.18460	0.4
261.18533	0.5
271.08142	1.2
285.25555	0.3
289.09131	2.5
325.11227	21.3
327.18756	0.3
335.20169	0.6
343.26532	0.3
345.20154	0.3
353.20886	2.3
354.21335	0.5
354.63016	0.3
355.22479	0.3
371.22079	2.8
372.22443	0.6
373.23630	6.3
374.24033	1.8
381.31229	0.6
389.23132	8.4
390.23370	2.8
399.32489	29.8
407.24313	0.3
417.33557	6.8
431.24420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.4
68.77408	0.6
69.03419	4.9
71.08620	1.3
71.40162	0.7
73.02892	2.7
79.05490	1.3
81.03418	3.7
85.02879	5.8
87.04445	1.0
91.03942	3.4
93.07028	0.9
95.08605	0.7
96.60513	0.7
97.02898	4.9
98.29356	0.7
99.04469	1.0
101.02403	1.2
101.54794	0.6
108.67529	0.8
109.02908	1.3
111.04321	0.9
121.10161	0.9
127.03869	1.1
158.49423	0.7
175.11243	0.9
243.08490	2.8
267.15994	0.9
267.42340	1.0
275.31555	0.9
283.15155	1.6
347.09515	3.4
405.13785	4.2
497.30884	4.0
501.22922	10.0
509.33575	1.0
659.36212	6.3
663.28314	10.9
670.32446	0.8
757.46973	3.2
789.08624	0.9
919.52203	100.0
920.53119	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	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.6
69.03414	15.2
69.07053	6.1
71.01336	0.2
71.04972	1.8
71.08611	0.3
73.02532	0.2
73.02903	3.1
79.05470	2.2
81.03400	5.6
81.07037	12.6
83.01318	0.3
83.04974	0.3
83.08596	1.5
85.02888	100.0
86.03232	0.3
87.04448	2.2
91.03941	4.6
91.05452	1.9
92.09122	0.4
93.07021	3.0
95.04930	0.4
95.08586	3.8
97.02869	25.1
97.06512	0.6
97.10130	0.7
99.04430	4.3
99.08073	2.4
101.02358	1.0
103.03923	1.2
105.07010	3.9
107.08582	7.7
109.02866	9.5
109.06492	0.3
109.10145	5.4
113.05992	0.7
115.03905	1.3
117.05508	0.2
117.06997	0.9
119.08548	2.9
121.10104	3.3
123.11674	0.7
125.09602	7.5
127.03889	24.0
127.11182	1.7
129.07002	0.4
131.08556	2.1
133.10095	3.5
135.11659	3.1
137.13164	0.2
143.08542	0.7
143.10648	3.5
144.09300	0.1
145.04938	35.3
145.10112	4.2
147.11671	6.4
149.13229	2.3
151.11145	0.2
153.12781	0.2
155.08539	0.2
157.10088	1.5
159.11673	4.6
161.13237	3.7
163.05983	14.2
163.14764	0.2
165.09077	1.6
166.09387	0.3
171.11646	1.0
173.13222	2.7
175.11105	0.2
175.14792	2.3
183.11691	0.6
185.13258	1.0
186.13992	0.2
187.14824	0.7
189.16379	0.2
197.13232	0.7
199.14784	1.4
201.16328	0.8
204.08527	0.2
211.14757	0.8
213.16347	0.7
213.40640	0.2
215.17993	0.2
221.05119	0.2
225.16325	0.3
227.17888	0.3
239.17867	0.2
253.19458	2.1
255.21031	8.3
257.22571	3.7
271.08011	1.0
271.20493	1.9
281.22583	0.2
283.24091	0.6
285.21985	0.2
289.09143	2.2
293.22455	0.2
299.23560	0.2
307.24060	1.1
325.11230	11.9
363.30322	3.1
381.31430	10.5
399.32458	5.4
543.36346	0.8
561.37646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10120	1.0
67.05187	1.3
67.05490	21.9
69.03411	36.2
69.07050	100.0
71.04971	2.0
71.08237	1.6
71.08610	27.3
71.45383	1.1
73.02876	1.9
79.05463	5.7
81.03382	7.0
81.07034	57.2
83.04971	1.6
83.08115	2.3
83.08600	66.0
85.00833	1.0
85.02885	56.9
85.06499	6.4
85.10164	16.3
87.04440	17.6
91.03941	1.5
91.05463	1.9
93.07012	5.3
95.04941	4.3
95.08579	77.7
97.02864	34.1
97.10143	52.8
99.04433	5.2
99.08060	5.7
99.11699	1.7
103.03903	2.5
105.06998	1.6
107.08562	4.7
109.02863	5.0
109.10136	43.4
111.11694	42.4
112.06844	1.2
113.06002	2.3
113.09618	1.3
115.03916	23.1
119.08517	1.8
121.06464	1.3
121.10073	2.0
123.04416	1.6
123.11678	23.6
125.13242	22.5
127.03883	14.8
131.08481	2.1
133.04947	18.4
133.10124	2.1
135.11707	1.8
137.13249	12.2
139.14813	8.6
143.14296	1.8
145.04906	13.3
147.11638	1.7
151.14766	9.3
153.16351	2.6
157.15805	1.8
157.94037	1.1
159.11697	2.1
161.13077	1.4
163.06018	5.3
165.16318	5.8
169.15823	1.8
171.11546	1.4
171.17426	1.6
173.13254	1.8
175.14691	1.8
177.05482	1.1
181.19624	1.4
183.42635	1.0
195.20914	2.0
199.20557	1.2
207.21057	1.9
213.22180	7.8
221.22667	1.3
229.06987	2.5
239.23648	4.2
247.07942	1.1
259.08124	1.9
265.09000	5.3
277.28809	8.2
283.29916	10.8
295.10162	8.9
295.29889	78.5
313.30997	29.4
325.11221	6.0
353.33444	1.3
371.21774	7.0
376.00336	1.2
385.30527	1.7
403.31909	2.2
409.32965	1.6
421.33310	1.8
439.34024	2.6
457.35031	5.5
737.76733	1.3
737.89459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.4
67.05492	20.2
69.03416	55.6
69.07053	2.2
70.03729	0.4
71.04972	13.1
73.02900	5.0
73.06517	0.3
73.99546	0.3
76.56174	0.4
79.05465	4.1
81.03398	8.8
81.07037	3.0
81.24675	0.3
83.01298	0.5
83.04969	4.0
83.08597	0.4
85.02890	100.0
85.06060	0.5
85.06532	10.0
87.04459	4.2
91.03934	5.2
91.05468	1.9
92.08973	1.9
93.07037	2.1
95.04948	53.4
95.08588	2.2
97.02871	28.5
97.06514	13.9
99.04439	5.0
101.02348	0.6
101.06005	0.6
103.03930	1.6
105.06996	2.6
107.04942	1.4
107.08594	0.8
109.02870	10.1
109.06513	1.5
109.10136	0.5
111.04410	3.3
113.05989	87.3
114.06305	0.5
114.37165	0.3
115.03903	0.5
117.07036	0.4
119.08564	1.6
121.06518	0.6
121.10134	0.6
123.04464	0.6
125.06000	0.5
127.03890	22.1
129.05479	0.3
129.06960	0.4
131.08563	2.3
133.06508	0.7
133.10120	1.9
137.05948	1.6
143.08537	1.4
145.04941	31.8
145.08588	7.6
145.10075	1.4
147.11642	1.4
149.05914	1.1
155.07076	0.4
155.08521	0.8
157.10077	0.7
159.11671	1.8
161.09669	0.4
161.13205	1.6
163.06007	12.6
163.07388	0.7
169.10081	0.4
173.13260	0.4
175.07549	1.9
179.07016	1.4
183.11656	0.8
185.13162	0.6
189.07549	3.0
189.09081	0.7
193.08545	0.4
195.11699	0.5
197.08130	0.3
199.51744	0.3
207.11719	0.4
209.13127	0.5
213.07631	0.5
213.16457	0.3
215.10760	0.4
215.17825	0.6
221.08029	0.4
221.13445	0.4
227.10651	0.7
229.12225	1.7
231.08565	0.4
231.75436	0.3
239.09088	2.5
241.12175	0.4
249.16591	0.3
251.17853	0.4
253.19415	0.4
254.26463	0.3
255.13669	0.7
257.10141	8.0
275.11209	4.9
289.09125	1.6
291.20963	1.2
309.22238	0.5
319.20609	0.4
325.11249	15.1
337.21542	10.1
337.25565	0.4
355.22614	9.1
373.23682	16.9
415.24576	1.4
415.90857	0.4
433.25702	11.1
434.26517	0.4
652.04236	0.4
773.00793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.0
67.05487	21.7
69.03411	60.1
69.07047	2.1
70.03748	1.7
71.04971	17.5
73.02895	3.6
73.06532	1.7
75.04465	0.3
78.51562	0.3
79.05476	4.4
81.03394	8.9
81.07035	4.3
83.01315	0.5
83.04974	3.5
83.08613	1.3
85.02883	100.0
85.06523	17.0
85.06924	0.4
86.03188	2.1
86.06851	0.4
87.04453	4.6
91.03927	5.5
91.05451	3.7
93.07015	3.8
95.04940	39.9
95.08585	3.7
96.05276	1.5
97.02866	26.9
97.06501	14.7
98.03190	0.4
99.04434	4.9
101.05984	1.3
103.03918	1.2
105.07011	5.0
106.82955	0.3
107.04926	0.4
107.08578	4.4
109.02861	9.5
109.06482	1.6
109.10126	3.2
111.04409	2.5
111.08067	0.4
113.05981	91.5
114.06297	4.0
115.03899	1.6
115.05327	0.3
117.06978	1.7
119.04895	0.7
119.08549	3.8
121.06454	0.6
121.10078	2.3
123.04445	0.4
123.11728	0.4
125.05947	0.6
127.03882	25.6
127.07494	0.4
128.04260	0.5
129.05493	0.4
129.06975	2.0
129.65427	0.3
131.08522	3.8
133.06442	0.7
133.10130	3.5
135.04349	0.3
135.08008	0.6
135.11670	2.9
137.05974	1.5
141.06903	0.5
143.08530	2.8
145.04929	31.7
145.08571	14.9
145.10088	3.9
146.05272	0.7
147.04362	0.4
147.07986	0.5
147.11650	4.3
149.05962	0.5
149.13242	1.5
151.07430	0.5
153.05478	0.6
155.07162	0.3
155.08545	1.5
157.10103	2.0
159.11661	4.7
161.05940	0.4
161.13219	3.6
163.03891	0.4
163.05981	9.3
163.07384	0.8
164.06331	0.4
167.07001	0.6
167.08516	0.5
169.10062	1.6
171.11678	1.9
171.94615	0.3
173.13217	2.2
175.07503	2.9
175.11145	0.3
175.14777	0.7
176.08281	0.5
177.05502	0.4
177.09116	0.6
179.06969	0.7
181.10089	1.2
183.11670	2.4
185.09616	0.4
185.13234	1.9
187.14755	0.7
189.07538	2.9
189.09023	0.7
193.08542	0.5
193.10121	0.3
195.11661	1.3
197.09523	0.4
197.13232	1.4
199.07417	0.3
199.14792	2.4
201.12659	0.4
201.16286	0.7
203.10620	0.4
209.09618	0.6
209.13272	1.2
210.14856	0.6
211.11163	0.5
211.14655	0.6
213.16333	0.6
213.25357	0.3
215.17902	0.7
221.07909	0.4
221.13274	0.4
225.16293	0.7
227.10703	2.1
227.17920	0.5
229.12238	3.1
231.17369	0.4
237.12794	0.5
239.09027	0.7
241.12154	0.6
243.13786	0.5
247.13136	0.3
251.17786	0.3
253.19504	1.4
255.13846	1.1
255.20934	0.6
257.10190	3.6
257.34116	0.3
271.08044	0.4
275.11200	1.4
277.19424	0.5
281.15311	0.4
289.09113	1.1
291.20908	1.5
307.20364	0.4
309.18558	0.3
309.22055	1.5
319.20416	2.3
325.11182	13.0
331.13593	0.4
337.21515	18.2
353.20969	1.9
354.21283	0.7
355.22598	22.1
371.21750	0.4
372.21948	0.4
373.23642	33.1
374.24127	0.5
397.30667	0.6
415.24518	1.5
415.31580	0.6
431.24234	5.1
432.24515	6.3
433.25690	18.8
477.92340	0.4
943.29883	0.4
951.05023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.2
69.03407	0.7
69.07053	0.2
71.04956	0.6
72.47144	0.1
79.05463	2.1
81.07030	2.2
83.04967	4.1
85.06532	1.2
91.05450	2.4
93.07018	2.8
95.04940	1.6
95.08588	1.2
95.44129	0.1
97.06507	10.2
105.07007	5.0
107.04915	0.9
107.07866	0.2
107.08581	3.9
109.06496	2.3
109.10146	0.3
111.08069	1.0
113.05999	1.5
115.05424	0.3
117.06987	1.3
119.08557	3.7
121.06487	1.5
121.10120	0.9
123.08035	4.8
128.06200	1.5
129.06990	1.7
130.07756	0.3
131.08543	7.8
133.06464	1.5
133.10110	2.6
135.08029	3.2
137.09587	1.7
141.06937	0.7
142.07758	0.6
142.77026	0.2
143.08539	8.1
145.06480	1.2
145.08458	0.2
145.08875	0.2
145.10104	4.8
147.08025	6.1
147.09177	0.3
147.11667	0.2
149.09598	5.1
151.07550	0.4
153.06943	0.3
154.07773	0.3
155.08534	3.1
156.09262	0.2
157.10095	3.3
158.07251	1.4
159.08029	2.5
159.11670	1.3
160.08815	0.3
161.09586	7.0
162.10345	0.8
163.11156	1.4
165.06979	0.3
166.07716	0.5
167.08566	1.1
168.09335	0.2
169.10097	3.0
171.08025	3.2
171.11638	1.2
173.09586	19.8
174.10156	0.3
175.11130	3.0
177.12683	1.7
178.07845	0.3
179.08524	1.0
180.09245	0.2
181.10139	2.1
182.10889	0.2
183.11694	1.4
185.09613	1.1
185.13240	0.8
187.11163	3.7
188.11777	0.2
189.12721	0.2
191.08847	0.3
191.10635	2.9
192.09322	0.7
193.10075	2.0
194.10861	0.8
195.07997	0.3
195.11641	1.6
197.09599	1.2
197.13197	0.7
198.10422	0.2
199.11130	2.3
201.12788	0.8
203.10724	0.2
204.09409	0.2
205.10098	0.6
205.12193	0.6
206.10892	0.3
207.11636	2.8
208.12512	1.0
209.09650	0.7
209.13205	2.6
211.11137	1.5
212.11943	0.6
213.12660	1.6
216.09409	0.2
217.10007	0.2
218.10892	0.9
219.11662	0.3
220.12480	0.2
221.13225	1.1
223.11185	0.7
223.14769	1.3
225.08954	0.2
225.12672	1.9
227.14331	0.3
229.10056	0.2
231.11639	0.2
232.12468	0.3
233.13208	1.4
234.10008	0.1
234.13954	0.4
235.11131	0.3
235.14772	0.2
235.20151	0.2
236.11879	0.2
237.12729	0.6
239.14262	1.4
243.11716	0.3
244.12477	0.6
245.13240	0.2
247.11060	0.2
247.14732	1.1
248.15503	0.3
249.12549	0.5
249.16356	2.4
250.13670	0.3
251.14255	6.9
252.14732	0.3
253.15816	0.2
258.13937	0.2
261.12656	0.3
262.13443	0.2
263.14026	0.2
265.15854	2.3
266.16516	1.3
267.17346	5.0
269.15372	0.2
273.16333	0.9
276.15109	1.0
279.13727	0.2
281.15390	0.3
281.19009	0.3
291.17361	3.3
294.16095	0.3
309.18420	18.6
327.19482	100.0
328.19821	1.8
351.19211	0.5
369.20486	1.1
387.21762	0.6
429.22702	0.2
447.23572	0.3
462.07947	0.2
599.73523	0.2
770.84412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.8
69.03415	5.0
69.07048	0.6
73.02862	0.5
81.03404	5.1
81.07043	0.7
85.02881	5.7
85.06548	0.4
91.05461	0.5
92.09035	2.3
93.07034	0.6
94.06539	0.7
95.04958	0.5
96.04491	1.0
97.02863	3.8
99.04454	1.9
105.07011	0.5
108.04458	3.2
109.02876	6.1
109.10158	0.5
111.04409	0.6
112.07603	0.6
115.03901	0.8
117.78002	0.5
119.04940	0.4
119.08501	0.6
120.08101	3.0
121.06482	0.5
122.06010	2.9
123.04443	0.5
127.03902	4.4
131.08656	0.5
134.05971	0.7
136.07581	3.4
136.65561	0.4
137.05992	0.5
137.09607	0.6
140.07042	3.5
145.06369	0.5
146.06038	0.5
147.04373	0.8
147.06755	0.5
148.07541	8.0
150.05539	0.6
154.08656	2.0
160.07576	0.6
163.81929	0.5
167.07019	0.4
168.06493	4.1
170.09686	0.8
174.05518	0.8
175.08662	1.8
176.07034	0.8
177.05414	1.0
181.04919	1.0
198.09140	2.1
199.06004	0.9
199.08585	4.6
199.12379	0.8
200.09366	2.6
201.10199	2.0
209.15343	0.6
210.09090	0.8
212.09325	0.9
213.10208	3.4
214.10956	2.4
215.11774	7.3
217.07010	0.8
224.10713	2.4
225.10176	8.4
226.08728	3.7
226.12328	0.9
227.08194	2.3
227.11766	8.4
229.09695	2.3
229.13266	8.3
229.15205	0.5
238.08757	0.7
239.11780	0.7
240.08966	0.5
241.09613	2.6
241.13336	4.9
242.10361	3.5
243.11264	8.8
251.11810	0.5
252.10159	3.0
253.09720	0.5
253.13377	0.8
254.10394	0.9
255.11227	46.0
256.11835	3.1
257.12805	5.8
267.11172	1.0
269.12784	17.1
271.14426	2.8
275.13821	3.1
279.11154	0.5
281.12842	0.6
282.10278	0.5
285.12347	0.7
287.14005	0.8
289.15442	0.9
295.10651	0.8
297.12268	23.6
299.13846	5.1
313.11737	3.3
315.13327	54.9
316.14001	1.0
317.14929	5.8
348.25330	1.7
357.14392	23.8
378.12692	0.4
383.16046	0.9
387.15237	3.9
395.16110	0.7
399.15466	2.3
413.16766	4.1
417.16476	16.8
423.15524	6.0
431.18170	3.7
441.16489	24.2
449.19009	1.9
459.17551	66.9
460.17987	3.2
477.18597	100.0
478.18954	2.8
585.20648	0.5
633.28937	1.0
639.23700	2.2
653.02124	0.5
699.29852	8.2
705.40601	0.5
717.30945	2.8
735.32300	14.3
753.33350	8.8
757.54926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.7272
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	9.6
69.07045	11.4
78.62295	1.5
79.05466	3.0
81.07041	22.0
83.08617	7.6
89.12589	1.5
89.24250	1.4
91.05474	6.1
91.30140	1.4
93.07018	24.4
95.08591	59.3
97.10161	6.5
105.07021	12.9
107.08576	40.9
109.10143	32.7
119.08569	37.3
121.10130	36.7
123.11702	12.3
123.39452	1.4
131.08553	2.4
133.10115	36.4
133.11061	3.0
134.32133	1.5
135.11661	30.1
137.13199	2.3
145.10078	2.9
147.11679	28.7
149.13272	17.0
153.09088	3.6
159.11641	7.3
161.13231	17.4
163.13504	2.7
163.14778	31.7
167.10677	2.9
171.99313	1.5
173.13226	2.4
175.14807	21.7
177.16302	11.2
187.14792	3.8
189.16368	40.9
191.17926	88.6
201.16341	12.5
203.17926	100.0
205.19495	8.0
215.18030	3.1
217.19505	9.2
218.10789	1.7
218.86627	1.7
221.19032	3.5
231.21094	8.8
235.16922	2.0
245.22676	1.8
249.18494	22.0
314.41727	1.6
393.34949	11.6
411.36047	32.7
439.35663	74.5
901.68823	2.2
913.50134	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	914.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	19.9
69.07053	7.7
71.04972	1.7
71.08617	24.6
73.02891	1.7
79.05479	11.0
81.03396	77.3
81.07034	21.5
83.04971	2.7
83.08597	24.6
85.02885	7.6
85.10168	13.9
91.03922	6.1
91.05450	15.2
93.07007	6.9
95.04950	20.7
95.08574	22.8
96.15741	1.3
97.02876	7.0
97.10142	5.0
100.08171	1.3
105.06999	13.0
107.04929	4.9
107.08562	2.8
109.06516	1.6
109.10144	10.4
111.08042	3.1
111.11720	1.2
113.90022	1.3
119.08578	11.4
121.06473	1.7
121.10116	5.6
123.04398	1.4
123.11701	2.4
129.06964	8.0
131.08566	8.1
133.06464	1.7
133.10054	2.4
145.10222	1.7
147.07988	2.8
147.11649	8.4
149.09625	2.5
150.64616	1.3
157.10039	9.8
166.70592	1.4
175.11159	7.4
193.12227	25.4
257.24734	3.0
257.31787	1.4
258.94650	1.2
267.15854	86.6
268.16354	2.3
301.14240	1.4
307.47620	1.3
309.16898	2.3
313.27304	100.0
369.36942	1.3
505.38751	80.2
523.39380	4.9
547.39764	6.6
601.40002	2.3
631.41388	1.4
745.98608	1.7
914.50378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	23.3
69.07048	4.8
71.08619	14.8
71.09488	2.2
79.05466	12.1
81.03398	36.0
81.07034	21.8
82.17996	2.5
83.04964	5.8
83.08600	15.1
85.02893	27.6
85.10170	10.0
91.03899	3.7
91.05455	22.8
93.06994	8.3
95.04934	19.3
95.08591	22.2
97.02864	5.4
105.07009	12.5
107.04955	3.7
107.08557	3.9
109.10178	2.7
111.08045	4.1
119.08560	10.0
121.10071	3.4
129.06989	10.0
131.08519	5.0
133.10083	5.8
135.18732	2.7
147.11667	10.0
157.10081	9.9
160.45729	2.4
175.11131	11.8
176.02223	2.3
191.61627	2.4
193.12221	24.7
211.13248	30.6
259.72842	2.6
267.15787	12.2
285.16852	34.8
341.30414	51.2
533.41870	10.3
551.42963	100.0
702.10846	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	910.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67006	0.4
64.40614	0.6
65.03926	0.9
65.86337	0.4
67.05492	8.8
69.03412	31.9
69.07053	6.2
71.04980	2.8
73.02895	1.2
75.04470	2.2
77.03932	0.5
79.05466	7.4
81.03395	2.7
81.07034	21.3
83.04960	23.5
83.05424	1.0
83.08594	11.2
85.02885	25.2
85.06526	4.0
86.09683	0.6
87.04443	17.0
91.03934	0.6
91.05454	7.1
93.07014	16.0
95.01290	1.1
95.04941	32.3
95.08577	19.0
96.08909	1.2
97.02865	20.8
97.06500	9.8
97.10150	0.9
98.97569	0.8
99.04426	5.2
99.08084	2.2
105.03369	95.0
105.07001	16.9
107.08576	28.5
109.02891	0.9
109.05914	0.6
109.06499	27.1
109.10137	32.9
111.08064	7.6
113.02367	0.8
113.05991	1.2
113.09594	1.1
115.03912	18.4
115.05435	0.5
115.07569	4.1
117.06939	1.8
119.08566	14.0
121.06485	2.9
121.10117	25.0
123.04363	4.0
123.08043	10.5
123.11671	8.5
124.08425	0.6
125.05994	0.7
125.09602	12.8
127.03904	2.5
127.07537	0.6
128.04236	0.6
129.06876	0.6
130.07790	0.7
131.08537	13.2
131.09448	0.9
133.04933	15.6
133.10103	48.9
134.10507	0.5
134.70485	0.5
135.08018	7.7
135.11667	9.8
137.09564	2.1
139.11157	7.1
141.01801	5.2
143.08537	1.0
145.02829	1.3
145.04893	1.2
145.10101	7.1
147.08054	0.6
147.11644	11.3
149.05980	0.7
149.09595	11.4
149.13237	18.7
150.07613	2.5
150.09908	0.6
151.11165	11.9
153.09074	15.3
158.10838	5.8
161.13223	2.3
163.11201	2.0
163.14784	5.9
165.12723	4.5
167.14288	13.7
171.10185	2.5
171.11615	0.7
173.13211	28.9
175.05916	0.8
175.14769	5.1
177.05508	4.1
179.05786	0.8
179.06996	21.4
181.12256	0.9
189.12666	1.0
191.14272	37.8
193.15778	0.7
197.08057	24.1
207.13699	7.1
208.14137	2.7
209.15331	100.0
210.15724	0.8
217.70645	0.6
225.14839	1.1
226.15166	0.6
227.16376	33.0
234.05287	0.5
259.08145	2.1
291.88226	0.6
295.10242	3.3
305.17532	1.1
323.18521	2.7
341.19513	6.3
353.19424	2.7
355.10126	1.2
371.20477	4.7
373.10934	1.2
387.20044	0.6
388.20590	0.8
389.21594	3.7
543.24194	1.0
544.13702	0.6
606.18005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.1
69.03091	0.6
69.03407	4.9
69.07037	0.4
73.02901	4.6
79.05474	3.3
81.03399	4.9
81.07022	3.8
82.09084	0.4
83.08648	0.5
85.02892	7.8
90.97697	0.4
91.03952	4.3
91.05490	3.0
93.07011	2.3
94.31710	0.5
94.72055	0.5
95.04988	0.7
95.08595	3.1
97.02871	7.1
99.04470	1.1
101.02374	3.0
105.07041	2.0
107.08600	0.8
109.02903	0.6
109.10125	0.7
113.15222	0.5
119.08562	1.0
127.03938	0.9
127.67017	0.5
133.10153	0.5
135.11768	0.5
147.11658	0.7
172.16895	0.5
185.04260	0.6
193.12257	0.6
203.05373	0.9
243.08389	2.3
251.12370	0.7
347.09634	2.7
363.09073	0.6
365.10629	2.0
405.13669	7.2
469.20267	8.2
519.29034	4.9
631.25549	7.1
632.26135	0.6
681.34241	4.0
747.42908	0.9
909.47937	100.0
910.47754	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	909.6951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	8.7
69.07043	11.4
79.05486	4.3
81.07040	20.9
83.08590	5.1
91.05464	3.7
93.07029	19.4
95.08580	53.5
97.10165	2.8
105.07000	19.1
107.08569	40.2
109.10142	35.7
117.07008	3.2
119.08552	76.1
121.10114	38.6
123.11691	15.8
131.08519	13.2
133.10104	29.8
135.11661	29.5
137.13231	3.4
145.10091	33.6
147.11690	26.2
149.13231	9.6
157.10117	4.2
159.11646	24.8
161.13184	20.1
163.07506	12.7
163.14798	19.2
171.11607	3.4
173.13206	22.5
175.14796	10.4
177.16277	3.2
185.13199	8.3
187.14784	43.0
189.16347	15.8
191.17885	44.8
199.14883	3.8
201.16309	38.1
203.17830	19.3
205.19420	2.9
213.16307	2.4
215.17892	4.9
217.19466	7.9
227.18050	2.8
229.15926	2.5
229.19446	8.6
230.05112	2.3
247.16934	10.3
269.22498	3.3
388.36414	2.1
391.33423	10.2
409.34540	35.5
437.34106	48.6
438.34299	3.4
455.35101	100.0
456.34882	2.1
598.75977	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	907.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	7.7
69.03423	2.8
73.02901	5.1
79.05480	5.8
81.03415	5.5
81.07048	10.8
85.02911	9.0
91.03953	2.3
91.05473	2.5
92.08794	11.6
92.09422	2.6
93.07037	8.1
95.08610	6.6
97.02889	5.9
101.02386	1.9
105.07011	2.0
107.08607	2.0
109.10154	1.9
118.37743	1.4
119.08567	2.1
121.10176	3.4
127.03925	1.5
129.14366	1.2
133.10103	1.9
135.11707	2.0
145.10109	2.2
151.96051	1.4
212.97083	1.5
221.14705	1.3
249.10898	10.0
290.60773	1.8
335.25934	2.9
335.39874	1.6
347.09619	2.1
395.33417	1.5
405.13690	6.2
409.26257	1.7
467.18924	2.4
485.42499	1.7
519.29407	8.7
547.39368	2.0
629.24652	2.7
681.34521	6.8
907.46448	100.0
908.45905	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	909.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	3.4
67.53919	0.2
69.03410	4.8
69.07064	0.6
71.01340	0.5
71.04962	0.4
73.02899	6.0
79.05475	3.4
79.61782	0.3
81.03394	3.5
81.07040	4.5
81.22641	0.2
83.05022	0.2
83.08615	0.3
85.02888	11.6
87.04456	0.6
88.72385	0.2
91.03938	5.4
91.05461	3.1
93.07014	3.1
95.04964	1.1
95.08564	3.1
97.02872	9.5
97.03486	0.4
99.04446	1.5
103.03950	0.4
105.06996	1.8
107.04980	0.3
107.08569	2.0
109.02890	1.2
109.06609	0.3
109.07460	0.3
109.10151	1.2
115.03913	1.1
119.08581	1.7
121.10090	1.8
123.11628	0.4
127.03902	3.1
131.08560	0.4
133.10124	0.5
135.11687	0.5
145.05005	0.6
145.10155	0.4
147.11717	0.3
159.11650	0.3
185.04225	1.2
191.81735	0.3
193.12180	0.3
203.05321	0.6
203.30502	0.3
204.37450	0.3
211.13332	0.4
243.08264	2.4
251.12538	1.3
321.59641	0.3
335.25763	1.0
347.09351	3.0
363.09299	0.4
365.10681	1.2
387.77591	0.3
405.13589	7.6
421.12677	0.3
469.20410	5.4
519.29260	7.0
519.36566	0.3
579.43555	0.3
626.99622	0.3
631.25513	3.2
681.34485	8.5
747.42853	1.9
909.47955	100.0
910.48334	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	907.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51384	0.6
67.05499	3.4
69.03429	4.5
71.01321	0.8
71.05003	0.7
73.02907	5.7
79.05499	3.3
81.03410	1.5
81.07056	2.9
81.73803	0.7
83.01376	0.9
83.08617	1.2
85.02894	8.2
91.03951	3.4
91.05450	1.3
93.07040	4.2
95.08609	3.4
97.02866	9.6
98.66287	0.9
99.04447	1.7
101.02361	1.8
105.07022	1.2
107.08586	2.9
109.10129	1.0
117.07063	0.8
119.08563	0.7
121.10107	1.1
127.03918	1.6
135.11653	1.4
135.28799	0.8
145.10156	1.4
163.11255	1.1
243.08389	1.5
286.54364	0.8
347.09592	3.1
372.77887	0.8
373.41537	0.8
385.14111	0.8
394.10861	0.9
405.13611	6.7
467.18765	7.4
470.08597	0.9
481.87296	0.9
519.29187	4.6
629.23737	6.3
681.34351	5.0
907.46423	100.0
908.46997	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	907.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52803	0.4
67.05489	4.1
69.03421	5.7
69.07067	0.9
71.01314	0.7
73.02897	6.6
79.05492	3.1
81.03412	2.8
81.07035	5.1
81.81596	0.4
83.08629	0.6
85.02889	8.7
85.03281	0.5
91.03935	4.2
91.05505	2.6
93.07007	3.8
95.08582	4.0
97.02876	9.5
99.04433	1.1
101.02384	2.4
103.86742	0.6
105.07059	0.7
107.08601	1.8
109.02901	0.9
109.10180	0.9
109.17776	0.5
119.08561	0.5
121.10121	1.1
127.03946	3.1
133.10081	0.5
135.06900	0.5
135.11705	0.9
145.04962	0.6
145.10118	1.1
163.11247	0.9
185.04181	0.8
243.08464	1.8
335.25949	0.9
347.09549	2.2
365.10229	0.7
405.13535	7.0
465.33310	56.3
467.18839	4.5
518.83173	0.5
519.29315	6.7
629.24310	3.4
681.34448	7.6
745.41992	0.8
907.46436	100.0
908.46667	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	906.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22427	1.6
67.05495	42.2
69.03413	2.2
69.07050	16.4
71.04973	3.2
71.08587	2.5
73.02890	3.6
74.96711	1.6
79.05470	23.0
81.03397	41.0
81.07033	45.2
81.53724	1.5
83.04962	12.6
83.08593	19.3
85.02888	23.6
91.03941	7.1
91.05459	22.0
93.07010	21.3
95.04941	17.6
95.08575	28.0
97.02880	8.8
97.06499	2.0
97.10117	4.0
99.08012	1.7
105.07030	17.1
107.08566	14.6
109.10149	13.8
111.08092	7.7
119.08566	12.0
121.10108	8.9
129.06963	9.8
131.08531	3.5
131.56627	1.8
133.10114	10.0
142.07689	1.9
147.08061	2.0
147.11655	11.9
148.24216	1.8
149.09573	2.7
157.10109	11.8
175.11169	10.7
193.12169	21.8
211.13304	32.9
267.15820	6.7
285.16861	43.0
295.32529	1.8
337.27283	35.5
529.38617	13.5
547.39795	100.0
906.50482	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	905.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.3
69.03407	2.3
69.07061	1.2
71.04984	0.7
77.41267	0.2
79.05478	1.8
80.09652	0.1
81.07042	3.8
83.04948	1.0
83.08566	0.2
84.08131	0.3
85.02898	0.8
85.06523	1.2
91.05453	4.1
93.07018	5.2
95.04912	1.9
95.08583	4.6
97.06519	2.4
99.08080	0.4
100.46381	0.2
105.07010	10.6
107.04922	0.8
107.08579	6.3
108.05708	0.2
109.06509	2.9
109.10145	2.1
111.08073	4.1
113.05989	1.8
115.05446	0.4
117.06994	2.4
119.08549	11.7
120.08890	0.2
121.06484	3.5
121.10115	2.7
123.08042	6.3
128.06198	0.9
129.06981	2.6
131.08536	6.9
133.06471	1.0
133.10106	7.1
135.08034	4.1
135.11626	0.3
137.09619	1.2
141.06970	1.2
142.07773	1.5
143.08542	12.0
144.09291	0.2
145.04919	0.2
145.06407	0.2
145.08499	0.2
145.08885	0.3
145.10109	6.4
147.08020	5.8
147.11661	2.8
149.09605	3.6
151.11165	0.4
153.06932	0.3
155.08504	4.3
156.09328	1.2
157.06564	0.2
157.10097	10.3
159.08069	1.5
159.11658	4.8
161.08241	0.3
161.09584	7.1
161.13264	0.8
163.11119	1.9
165.07022	0.8
166.07770	0.7
167.08531	1.2
168.09306	0.8
169.10069	5.7
170.10762	0.3
171.08069	0.8
171.11639	3.3
173.09590	3.2
173.13245	1.1
175.11143	6.9
177.12682	1.4
178.07713	0.2
179.08522	1.9
180.09306	1.1
181.10075	4.4
182.10895	0.9
183.11656	6.3
183.13177	0.3
185.09567	1.4
185.13225	1.6
187.11128	2.3
189.12686	4.8
192.09320	0.4
193.10110	3.4
194.10829	1.5
195.11661	8.8
196.12454	1.1
197.09587	0.9
197.13217	2.6
199.11180	2.2
199.14772	0.4
201.12717	4.1
203.14307	1.1
205.10056	0.7
206.10895	0.7
207.11676	3.2
208.12460	0.4
209.09683	0.4
209.13219	7.9
209.15096	0.4
210.13997	2.4
211.11140	2.1
211.14737	5.6
213.12756	2.0
215.14287	1.3
219.11592	1.1
220.12402	2.2
221.13231	2.3
223.11122	1.3
223.14725	2.3
225.12842	1.5
225.16383	0.5
227.14265	1.7
229.15857	0.3
231.11647	0.3
233.13194	1.0
234.13957	0.4
235.14766	7.8
236.15477	0.4
237.12704	2.5
237.16293	0.2
238.13370	1.0
239.14217	1.2
241.15858	2.2
245.13031	0.3
246.14012	0.3
247.14783	0.4
249.16335	3.5
250.17198	1.5
251.14189	2.4
251.17917	6.1
253.15816	39.7
254.16293	0.7
255.17519	0.3
260.15567	0.4
265.15784	0.9
265.19168	0.2
267.17331	2.5
269.18961	3.9
275.17825	2.7
278.16635	1.0
293.18933	22.1
296.17685	0.3
311.19983	100.0
312.20111	1.4
329.21036	19.5
337.21524	0.3
355.22485	0.2
373.23553	0.3
457.64368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	6.0
69.03421	3.3
71.04965	2.6
73.02885	1.1
79.05475	6.3
81.06580	1.0
81.07030	10.3
83.04970	4.4
83.08590	0.7
85.02893	18.8
85.06515	6.2
87.04449	39.6
87.04984	1.5
91.05466	5.9
92.09293	0.7
93.07022	12.5
95.04945	4.9
95.08588	6.8
95.56888	0.6
97.02884	0.7
97.06528	3.7
99.04444	0.8
105.07012	12.2
107.04966	0.8
107.08591	10.2
109.06496	4.9
109.10120	4.5
111.04417	10.0
113.01869	0.6
113.05975	7.7
115.07561	0.8
117.07005	3.4
119.04909	0.7
119.08549	9.7
121.10108	9.5
125.05971	17.3
129.05450	3.4
129.07013	2.5
131.08549	7.3
133.10100	9.4
135.04408	0.7
135.08022	1.4
135.11685	4.8
137.05983	0.7
142.07748	0.6
143.08534	5.7
145.08556	0.8
145.10103	12.2
147.07935	1.0
147.11620	7.7
149.13284	1.0
151.11128	0.6
153.05463	14.4
155.07005	6.3
155.08379	1.8
157.10069	6.1
159.07983	0.8
159.11658	10.7
161.09679	1.0
161.13225	3.8
163.03935	0.9
165.09105	0.8
167.08482	0.6
169.10071	1.3
171.11673	4.2
173.09514	1.1
173.13197	3.7
175.07503	1.1
175.14780	8.5
177.08948	0.8
183.11655	3.6
185.13277	5.0
187.14819	2.9
189.09030	1.0
189.16350	2.7
195.11661	1.6
197.13226	2.8
199.11169	0.8
199.14752	3.2
201.16307	10.8
209.13263	2.5
211.14801	3.2
213.16344	1.1
215.17867	1.5
217.12251	1.5
221.13293	1.6
223.14691	0.9
225.16299	1.0
227.10692	1.4
229.12254	1.5
235.14803	1.5
237.12679	0.8
237.16620	0.8
241.12325	1.0
243.13754	1.5
249.16168	0.8
251.18033	1.2
251.80565	0.7
255.13696	1.2
257.15320	0.8
277.19424	3.3
281.15436	1.5
291.21063	3.3
295.20444	0.7
308.00946	0.7
309.22067	3.0
319.20639	3.0
322.79846	0.8
337.21542	20.9
338.21960	1.6
339.23050	1.1
343.19067	3.3
355.22610	37.1
355.27054	1.3
357.24115	0.9
373.23611	100.0
374.23886	3.3
375.24969	2.5
433.25848	3.1
533.30927	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	905.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.3
69.03411	0.6
73.70370	0.3
80.56486	0.2
81.07057	0.2
85.02888	1.4
93.07035	0.3
95.04954	0.3
95.08572	0.5
97.02862	0.2
97.29915	0.3
104.05642	0.2
105.07014	0.4
109.10137	0.4
113.05984	0.5
116.84023	0.2
117.37730	0.3
121.10069	0.3
127.03860	0.4
132.10127	0.2
133.10106	0.3
141.23967	0.2
151.07501	0.3
159.11583	0.3
163.03899	0.3
245.05156	0.3
371.21854	100.0
372.22162	3.3
380.41104	0.2
555.28790	0.5
556.29529	1.3
557.30804	1.8
806.62469	0.3
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
67.05492	4.9
69.03416	15.9
69.07050	4.4
71.04974	3.2
72.21532	0.5
73.02888	3.2
79.05473	2.7
81.03400	7.6
81.07044	7.7
83.08580	1.0
85.02890	100.0
87.04427	1.1
90.19550	0.5
91.03934	5.1
91.05429	2.1
93.07014	3.9
95.08571	6.1
97.02869	26.9
99.04411	3.9
103.03932	0.7
105.07017	5.9
107.08576	4.7
107.09182	0.5
109.02857	10.5
109.10146	9.9
115.03887	0.7
117.06991	0.7
119.08573	4.2
121.10120	4.8
121.69449	0.6
123.11683	2.2
124.24120	0.6
127.03896	23.7
127.28001	0.6
129.06963	0.7
131.08542	2.6
133.10120	5.6
135.11647	2.7
143.08565	0.8
145.04935	31.9
145.10101	4.5
147.04356	0.6
147.11659	7.9
149.13211	4.0
157.10088	3.2
159.11684	6.2
161.12096	0.7
161.13226	5.7
163.05989	11.3
163.14810	0.7
171.11641	1.0
173.13193	3.7
175.14806	1.0
185.13202	2.0
187.14832	2.3
199.14789	2.1
200.15506	0.6
201.16365	3.0
203.18004	0.7
213.16328	3.4
215.17842	1.0
253.19496	0.8
255.21059	0.8
271.08041	1.0
283.24014	4.1
289.09113	2.4
325.11252	14.0
365.31995	17.0
366.32657	0.8
383.33087	2.8
592.14801	0.6
730.49689	0.6
777.30444	0.8
827.31891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.2
67.05488	55.2
69.03413	5.1
69.07051	13.9
71.04969	5.1
73.02900	5.5
74.45386	0.3
79.03215	0.3
79.05470	45.8
81.03397	45.7
81.07034	57.6
82.07370	0.3
83.04961	12.8
83.08596	19.7
85.02886	33.1
85.06532	1.9
85.48466	0.3
87.04454	0.5
91.03938	8.5
91.05455	38.6
93.07017	48.8
95.04945	23.6
95.08581	37.3
96.05369	0.3
97.02862	9.7
97.06507	4.6
97.10139	4.6
99.04414	1.4
99.08081	1.5
105.04497	0.5
105.07010	29.7
107.04915	6.6
107.08572	25.2
109.02859	0.7
109.06504	5.7
109.10130	13.7
109.10843	0.6
109.50866	0.3
111.04421	1.8
111.08058	8.3
113.05988	2.0
115.03890	0.5
115.05424	0.7
117.06998	5.6
119.04898	0.5
119.08552	24.1
121.06477	1.3
121.10113	20.6
123.08038	2.5
123.11676	5.3
125.06010	0.5
125.09616	1.3
127.03910	2.4
128.06290	0.5
129.05453	0.4
129.06964	10.7
131.08537	16.9
133.06468	2.3
133.10101	14.8
135.08165	0.3
135.11662	9.1
137.09578	2.3
137.13242	0.7
137.85982	0.3
141.06943	0.5
142.07747	2.6
143.08612	0.7
145.04956	1.4
145.10107	6.6
147.08026	2.5
147.11656	16.3
149.09589	5.4
149.13237	5.6
151.11148	0.6
155.08603	0.5
157.10101	11.6
159.11659	3.9
161.13239	3.0
163.06018	2.0
163.11223	0.7
163.14795	1.6
165.12689	2.3
171.11641	0.6
173.13231	3.2
175.11143	11.0
175.14833	1.4
181.10127	0.4
183.11719	0.5
185.13248	0.5
187.14801	1.4
189.11127	0.5
190.62944	0.3
193.12202	25.5
194.12573	0.4
197.13313	0.4
199.14856	0.5
201.16438	0.6
211.13239	27.8
227.12796	0.5
243.21091	2.2
261.22089	7.6
267.15823	8.8
285.16891	35.4
286.17184	0.4
301.25165	0.3
317.24661	1.3
335.25714	60.4
336.26013	0.6
435.32489	0.7
453.33575	1.4
527.37238	13.8
528.37811	0.4
545.38245	100.0
546.38611	3.3
563.39087	0.7
689.42224	0.6
724.10706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.3
65.37293	0.3
67.05488	53.5
69.03411	5.4
69.06709	0.8
69.07050	14.7
71.01337	0.4
71.04977	5.7
73.02891	4.9
73.06567	0.4
79.05471	45.4
81.03394	59.5
81.07032	64.0
83.04961	17.7
83.08596	24.4
85.02885	42.8
85.03426	0.6
85.06523	2.4
91.03931	9.2
91.05454	40.5
92.09335	0.9
93.07018	44.2
95.04942	28.7
95.08575	38.8
96.60626	0.4
97.02859	10.4
97.06512	5.9
97.10152	5.8
99.04426	1.9
99.08076	1.0
105.04483	0.6
105.07008	33.1
107.04942	6.2
107.08572	21.0
109.06509	5.5
109.10133	12.6
111.04428	1.8
111.08069	8.9
113.05984	2.4
113.44552	0.6
115.05424	1.8
116.67503	0.4
117.06981	5.9
119.08554	27.9
121.06502	1.8
121.10112	22.0
123.08037	3.2
123.11681	5.7
125.09609	2.0
127.03898	3.4
129.06966	12.3
131.08534	19.5
133.06482	2.6
133.10103	18.7
135.08049	0.5
135.11667	9.1
137.09584	2.8
137.13216	0.8
142.07791	3.2
143.08508	0.9
145.04961	2.8
145.10106	8.0
147.08051	3.4
147.11670	16.4
149.09589	7.3
149.13235	4.5
151.11142	0.5
155.08484	0.6
157.10083	16.0
159.11682	4.0
161.13229	3.3
163.05969	2.2
163.11171	2.3
163.14792	2.3
165.12695	3.5
169.10167	0.4
171.11679	1.7
173.13165	3.1
175.11150	15.6
175.12611	0.9
175.14720	0.6
177.12637	0.6
177.16458	0.4
182.65784	0.5
185.13185	0.5
187.14796	2.5
193.12195	37.5
201.16380	0.6
203.57469	0.4
211.13243	47.6
224.95128	0.6
227.12735	0.7
243.21071	2.9
261.22101	7.6
267.15848	11.7
285.16891	55.5
301.25284	0.6
317.24716	1.7
335.25711	50.0
336.25964	0.6
417.31598	0.5
435.32559	1.7
453.33594	2.3
471.34100	0.5
509.35941	0.7
527.37219	12.9
545.38226	100.0
546.38641	2.7
559.80786	0.5
563.39514	0.8
570.85870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.453
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01592	0.2
67.05499	3.7
69.03416	77.9
69.07048	1.1
71.01340	0.4
71.04975	6.1
73.02898	1.8
79.05482	2.0
81.03400	56.2
81.07043	3.2
83.04963	6.0
83.08598	0.6
85.02891	50.8
85.06524	0.6
87.04458	3.4
91.03934	2.3
91.05472	2.2
93.07034	2.8
95.04951	6.1
95.08592	2.6
97.02873	15.6
97.06507	2.5
99.04434	100.0
100.04752	0.6
103.03934	0.7
103.05444	0.4
105.07019	2.9
107.04952	1.1
107.08570	2.3
109.02866	6.4
109.06488	1.3
109.10139	1.7
111.04419	0.6
113.05988	7.6
115.03897	1.3
117.07008	0.7
119.04905	0.5
119.08568	2.3
121.06536	0.4
121.10094	1.6
123.04411	0.6
123.07991	0.4
127.03891	12.3
131.04863	0.3
131.07028	6.8
131.08525	1.4
133.06451	0.5
133.10088	1.6
135.04330	0.3
135.11647	1.4
137.05928	1.5
143.08524	2.7
145.02895	0.4
145.04939	17.4
145.08612	0.4
145.10109	2.4
147.04414	0.5
147.11670	2.5
149.13240	0.5
155.08536	0.7
157.10063	0.7
159.11691	2.3
161.05939	0.5
161.13219	2.3
163.03865	0.6
163.05997	6.4
163.07361	0.8
165.05511	0.5
167.07050	0.5
169.10072	0.6
171.11652	0.7
173.13171	0.6
175.05989	0.5
175.07492	1.6
175.14793	0.4
177.05515	0.5
177.09044	0.3
181.10132	0.4
183.11559	0.6
185.13142	0.6
187.14806	0.4
189.09044	0.4
193.08606	0.3
195.11562	1.2
197.13190	0.4
199.11098	0.4
199.14833	0.5
203.10545	0.4
211.14835	0.3
215.18015	0.4
225.07434	2.3
227.10530	0.6
229.12143	1.4
241.12219	0.4
243.08574	4.2
243.13715	0.5
255.13586	0.5
291.20956	1.4
309.21988	0.7
315.04758	0.3
319.20288	0.7
323.09528	0.3
325.11230	6.4
337.21521	10.3
353.21094	0.4
355.18457	0.5
355.22604	9.9
373.23691	18.2
374.23972	0.3
415.24808	1.0
419.23883	1.3
431.24152	0.6
433.25763	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	903.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03911	0.1
67.05481	1.6
67.41738	0.1
69.03407	0.9
69.07009	0.2
71.04973	0.9
79.05459	1.6
81.07042	2.4
81.38113	0.2
83.04957	3.9
85.06527	1.1
86.53471	0.1
87.04470	0.1
91.05452	2.4
93.07018	3.0
95.04956	1.7
95.08569	1.4
97.06504	8.9
105.07006	4.3
107.04930	0.6
107.08573	4.1
109.06496	2.1
109.10110	0.2
111.08050	1.1
113.05987	3.4
115.05433	0.2
117.06992	1.5
119.04959	0.1
119.08566	3.6
121.06477	1.0
121.10126	1.1
123.08035	4.2
125.09514	0.2
128.06192	1.5
129.06967	1.8
130.07736	0.2
131.08537	6.9
133.06467	0.8
133.10123	2.2
135.08023	2.8
135.11658	0.2
136.15036	0.1
137.09581	1.1
141.06960	0.8
142.07751	1.0
143.08537	7.4
144.09265	0.2
145.06456	1.1
145.08701	0.4
145.10101	4.6
147.08031	5.6
147.11697	0.7
149.09586	3.7
151.07506	1.1
152.18626	0.1
153.06995	0.2
153.67062	0.1
154.07759	0.3
155.08528	2.6
157.10100	3.4
158.07253	0.7
159.08014	2.7
159.11633	1.6
161.09584	6.1
162.10329	0.7
163.11143	1.1
165.06955	0.2
167.08559	0.7
168.09323	0.2
169.10069	2.1
171.08014	3.0
171.11661	0.8
173.09575	14.8
174.10307	0.2
175.11136	2.5
177.12740	1.4
179.08551	0.9
180.09328	0.5
181.10085	1.8
183.08038	0.2
183.11674	1.2
185.09622	1.3
185.13217	0.9
187.11136	3.6
189.09120	0.2
191.10608	2.9
192.09343	0.7
193.10110	1.9
194.10779	0.9
195.11650	1.3
197.09599	0.9
197.13191	0.7
198.10310	0.2
199.11122	1.9
201.09048	0.2
201.12642	0.6
203.08536	0.2
203.10570	0.2
205.10158	0.5
205.12213	0.8
206.10857	0.2
207.11638	2.6
208.12329	0.9
209.13200	3.3
209.77274	0.1
210.13419	0.2
211.11186	1.1
213.12721	1.5
215.14160	0.2
217.10059	0.2
218.10878	0.6
219.11674	0.3
221.13174	1.2
223.11143	0.6
223.14758	1.0
225.12659	1.1
227.14198	0.3
231.11673	0.2
232.12402	0.6
233.13210	1.8
234.13942	0.3
235.11183	0.6
235.14682	0.3
236.11948	0.5
237.12633	0.6
239.14326	0.8
244.12543	0.2
245.13274	0.2
247.14775	0.9
248.15543	0.2
249.12634	0.2
249.16324	2.5
251.14249	6.7
258.14023	0.2
263.17734	0.2
265.15842	2.1
266.16501	1.3
267.17349	4.6
269.15192	0.2
272.07886	0.1
273.16385	0.6
276.14902	0.2
281.18741	0.1
285.18472	0.2
291.14383	0.2
291.17343	2.6
294.16080	0.5
309.15665	0.3
309.18423	13.1
327.19470	100.0
327.76193	0.2
328.19745	1.3
337.21509	0.6
351.19519	0.3
355.22601	1.3
369.20477	0.6
373.23639	1.5
424.78238	0.2
447.23529	0.8
517.31458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.9
67.05493	44.2
67.05851	1.5
69.03410	1.8
69.07056	14.2
71.04978	1.7
71.08599	1.0
73.02888	2.7
79.05476	43.8
81.03414	3.2
81.07039	49.2
83.04976	4.5
83.08614	9.9
85.02895	4.8
89.71796	0.7
91.03970	1.6
91.05463	18.4
93.06422	1.1
93.07025	60.4
95.04942	8.0
95.08587	63.6
97.02857	6.5
97.06514	4.4
97.10130	2.7
99.04444	6.1
103.05401	0.9
105.07021	11.9
107.04943	6.6
107.08582	39.5
109.06508	3.0
109.10149	13.3
111.04440	0.9
111.08070	1.2
117.07011	10.7
119.08569	14.7
121.06509	6.9
121.10132	22.2
123.11671	1.5
125.05981	3.8
130.07767	1.7
130.13164	0.7
131.08551	7.2
133.10117	8.5
135.08067	1.0
135.11678	50.7
139.07533	1.4
145.10118	35.7
147.11693	3.4
149.13258	3.7
159.11702	3.1
161.13235	1.5
163.11154	57.5
163.14807	1.1
169.15149	0.8
173.13316	1.5
181.12201	9.3
187.14842	0.9
227.12752	46.2
243.20930	0.8
261.22034	8.4
283.15356	43.7
317.24744	1.4
335.25754	84.4
336.26019	0.9
370.04297	0.8
543.36725	100.0
544.37048	1.5
834.37170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.6
67.05489	64.9
69.03415	5.0
69.07050	14.5
71.04984	5.9
71.08623	1.4
73.02895	7.7
79.05474	58.4
80.02036	0.8
81.03393	20.2
81.07036	73.7
82.63535	0.7
83.01327	12.5
83.04962	16.5
83.08603	21.8
85.02887	32.2
85.06522	1.5
85.13784	0.7
87.04444	0.8
87.09576	0.7
91.03933	18.6
91.05462	34.9
93.07017	71.4
95.04947	16.0
95.08580	49.5
96.04504	1.0
97.02856	16.5
97.06519	8.4
97.10146	6.8
97.26762	0.7
97.76727	0.7
99.04423	3.9
103.05415	1.1
105.04434	0.8
105.07011	26.6
107.04945	10.3
107.08575	40.4
109.02840	1.1
109.06494	10.2
109.10135	17.4
111.04423	1.9
111.08079	3.3
111.11788	0.9
113.05982	0.8
117.06992	13.3
119.08554	21.0
121.06481	4.9
121.10117	27.6
123.08044	11.5
123.11649	5.6
125.05971	3.1
125.09625	4.1
127.03905	5.0
129.05428	0.8
129.06982	1.8
130.07768	1.2
131.08534	16.7
133.10101	15.0
135.08038	4.1
135.11664	29.1
137.09601	1.4
137.13243	0.9
139.11243	0.8
143.08546	3.1
144.42056	0.8
145.04976	5.7
145.06392	0.9
145.10097	31.7
147.08058	4.3
147.11647	5.7
149.09572	1.8
149.13194	6.2
153.12727	4.1
155.08545	1.9
157.10138	1.4
159.11618	6.0
161.13214	5.6
163.05966	5.9
163.11142	33.7
163.12469	1.2
163.14784	1.6
171.11644	1.1
173.09619	4.7
173.13206	6.5
175.14810	1.4
179.14189	1.0
181.12225	4.1
185.13292	0.9
187.14821	4.3
189.11166	3.3
191.10670	4.4
192.18269	0.8
193.12152	3.3
199.14857	0.8
201.16428	1.1
203.04379	0.7
209.11714	6.1
211.56747	0.8
227.12744	10.6
232.25305	0.8
243.21024	4.5
243.50476	0.8
244.20624	0.9
257.19617	1.0
261.22083	13.8
267.15884	4.3
268.16177	1.1
275.19937	0.8
283.15341	100.0
299.23468	5.7
313.27341	3.1
314.27704	3.0
317.24698	5.5
333.24307	1.5
335.25726	73.6
356.45374	0.8
382.01929	0.9
433.30869	3.3
451.32217	5.6
469.32977	3.2
507.39645	1.2
525.35626	11.2
543.36676	82.4
561.37671	9.7
744.41541	1.1
780.12036	0.9
827.09967	1.0
897.68506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05142	1.8
67.05492	46.9
69.03384	1.3
69.07051	11.9
73.02895	1.5
79.05473	59.5
81.03395	5.1
81.07040	45.2
83.04965	6.3
83.08601	6.4
85.02907	2.3
91.03946	1.2
91.05457	29.4
93.06487	2.3
93.07029	48.9
95.04937	11.9
95.08584	28.4
97.02867	2.8
97.06477	2.5
97.10157	1.8
105.07030	23.8
105.63594	1.5
107.04944	2.8
107.08598	22.9
108.67248	1.4
109.06512	2.7
109.10138	11.9
117.07018	6.2
119.08570	21.0
121.06470	1.6
121.10144	10.3
123.08050	2.8
124.07057	1.4
128.06277	1.6
129.06979	6.6
131.08540	5.8
133.10100	8.5
135.11655	5.8
141.15340	1.3
143.08545	6.5
145.10112	9.1
147.11662	17.2
149.13234	1.7
159.11690	1.8
161.09578	1.8
161.13263	5.6
166.86334	1.3
170.97122	1.4
171.11664	10.6
173.13223	1.7
207.13878	2.8
224.96541	1.3
243.75124	1.3
261.21985	2.6
281.17392	22.8
335.25763	33.4
493.85977	1.4
541.38806	100.0
835.66675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	2.5
67.05492	61.0
69.03407	4.8
69.07054	16.9
71.01328	1.3
71.04982	5.9
71.08619	1.2
73.02894	9.5
77.93907	0.5
79.05474	63.3
81.03398	15.2
81.07037	67.8
83.00919	0.8
83.01337	12.0
83.04968	15.1
83.08601	19.1
85.02422	1.2
85.02893	30.0
85.06526	3.2
88.54021	0.6
89.42475	0.7
91.03935	15.9
91.05463	35.4
92.09309	0.8
93.07024	77.0
95.04954	11.3
95.08582	49.2
97.02871	15.1
97.06491	7.2
97.10159	6.0
99.04429	4.3
99.08054	1.2
103.05463	0.9
105.04513	0.7
105.07009	24.8
105.34453	0.6
107.04937	10.4
107.08582	43.7
109.02827	1.0
109.06506	10.0
109.10143	20.8
111.04403	2.9
111.08060	3.7
115.05397	1.1
117.07001	14.3
119.08562	25.2
121.05703	0.7
121.06483	5.6
121.09239	1.2
121.10124	31.1
123.08054	11.9
123.11687	6.6
125.05959	1.5
125.09609	3.9
127.03918	4.3
129.06981	3.6
130.07817	2.0
131.08546	16.6
133.10109	14.5
135.08044	3.7
135.11668	29.9
137.09584	3.3
137.13197	0.9
143.08530	2.8
145.04962	4.0
145.06496	0.7
145.10107	26.3
147.08003	2.9
147.11685	8.6
148.04393	0.6
149.09653	1.0
149.13249	8.4
151.11156	0.9
153.12750	2.8
155.08553	1.5
157.10062	2.7
159.11662	8.1
161.13213	6.8
163.05954	4.8
163.11151	29.7
163.14804	4.1
165.12680	0.8
171.11690	0.7
173.09607	4.1
173.13205	7.2
175.14790	1.1
177.16318	0.9
181.12247	4.3
185.13205	1.2
187.11179	0.7
187.14780	3.4
189.11227	1.0
191.10638	2.5
191.14268	0.8
193.12276	0.9
197.13190	1.0
201.16411	1.4
205.15784	0.8
209.11694	6.5
217.19228	0.7
227.12755	7.7
233.22629	0.7
240.16176	0.7
243.21049	3.9
259.20416	0.8
261.22095	16.0
267.15860	3.0
283.15347	83.8
285.17108	1.0
299.23624	5.8
301.21533	0.7
313.27371	1.0
314.27783	0.7
317.24634	5.3
333.23993	1.4
335.25742	87.8
407.33279	0.8
423.32507	0.8
433.30682	2.7
443.35098	1.3
443.61130	0.7
451.31940	4.0
456.64890	0.8
469.32983	2.6
487.34488	1.3
506.38617	0.8
525.35730	9.2
543.36731	100.0
544.36774	2.4
561.37653	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	897.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80745	0.7
65.13342	0.6
69.03374	0.9
72.13150	0.7
77.80814	0.6
78.46336	0.7
81.03378	0.8
84.30826	0.7
85.02882	1.7
93.07055	1.5
95.08630	0.7
97.06544	1.0
107.08571	1.3
109.02901	1.1
119.08491	0.9
121.10104	0.8
127.04033	0.8
137.05992	2.8
153.32298	0.7
192.58008	0.8
207.06430	0.7
289.42328	0.7
299.92673	0.8
507.25079	0.8
897.38617	100.0
898.39252	1.8
900.47668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05142	1.8
67.05492	46.9
69.03384	1.3
69.07051	11.9
73.02895	1.5
79.05473	59.5
81.03395	5.1
81.07040	45.2
83.04965	6.3
83.08601	6.4
85.02907	2.3
91.03946	1.2
91.05457	29.4
93.06487	2.3
93.07029	48.9
95.04937	11.9
95.08584	28.4
97.02867	2.8
97.06477	2.5
97.10157	1.8
105.07030	23.8
105.63594	1.5
107.04944	2.8
107.08598	22.9
108.67248	1.4
109.06512	2.7
109.10138	11.9
117.07018	6.2
119.08570	21.0
121.06470	1.6
121.10144	10.3
123.08050	2.8
124.07057	1.4
128.06277	1.6
129.06979	6.6
131.08540	5.8
133.10100	8.5
135.11655	5.8
141.15340	1.3
143.08545	6.5
145.10112	9.1
147.11662	17.2
149.13234	1.7
159.11690	1.8
161.09578	1.8
161.13263	5.6
166.86334	1.3
170.97122	1.4
171.11664	10.6
173.13223	1.7
207.13878	2.8
224.96541	1.3
243.75124	1.3
261.21985	2.6
281.17392	22.8
335.25763	33.4
493.85977	1.4
541.38806	100.0
835.66675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69222	0.3
65.03925	1.6
66.04739	0.3
67.05479	1.4
69.03061	0.5
69.03415	8.9
71.04948	0.5
75.04448	0.6
77.03902	0.3
79.05480	3.4
81.03393	4.3
81.07040	1.9
83.04970	0.5
84.31368	0.3
85.02109	0.3
85.02889	9.9
85.06588	0.4
87.04454	4.4
89.03888	0.4
89.99911	0.4
91.03927	0.3
91.05459	5.0
92.08739	0.4
93.03372	0.5
93.07023	1.2
94.04163	1.3
95.04942	4.3
95.08560	0.4
97.02870	7.5
97.06497	0.7
99.04443	1.2
102.04630	0.3
102.76628	0.3
102.78893	0.3
103.05449	23.2
103.33130	0.3
105.03364	1.3
105.04414	0.3
105.07005	4.1
107.04934	5.1
107.08598	1.4
108.02092	1.2
109.02869	1.4
109.06496	1.9
109.10112	0.5
110.03594	0.5
111.04449	2.2
113.05940	0.3
115.03912	4.2
115.05431	6.5
117.03336	0.4
117.06991	5.9
118.04146	3.6
119.04919	5.8
119.08571	1.3
121.06468	1.8
122.03642	4.7
123.04418	3.0
124.05154	0.5
125.05968	3.3
127.03918	2.1
128.06195	0.6
129.07010	4.2
130.04129	1.1
131.04904	52.0
131.08543	0.6
132.05649	1.4
133.02820	5.5
133.04976	2.6
133.06456	5.2
133.10071	0.4
134.03577	1.2
135.04395	1.3
135.08041	2.3
135.11723	0.4
136.58638	0.3
137.05956	100.0
137.09578	1.4
138.06404	0.3
141.05486	2.5
141.06947	1.1
142.02626	0.3
143.04922	6.8
144.05685	1.5
145.04857	0.5
145.05209	0.5
145.06462	9.3
145.07556	0.4
145.10022	0.6
146.03571	1.2
147.04388	8.4
147.08020	2.3
147.11655	0.4
148.04086	0.6
148.05176	11.0
149.05968	4.6
151.03885	73.6
151.04967	4.6
151.07440	3.3
152.04509	0.4
153.05447	4.1
153.06688	0.4
155.04872	0.5
155.05989	0.6
157.06467	4.2
159.04384	5.0
159.07997	1.7
160.05174	5.3
161.05952	7.3
162.06683	1.3
163.03905	1.1
163.07506	46.2
165.05423	4.0
165.09093	1.4
167.07011	12.7
169.06485	1.3
171.04370	2.0
171.06509	0.6
171.07919	0.3
172.05161	0.7
173.05957	10.4
173.09662	0.3
174.06688	2.5
175.07510	26.8
176.04680	3.5
176.08167	0.4
177.05455	10.1
177.09013	2.3
178.06227	1.1
179.07010	9.0
179.08459	0.7
181.04926	21.8
184.05154	0.5
185.05923	0.6
187.07497	9.5
188.08228	1.1
189.05515	2.1
189.07245	0.5
189.09074	4.7
190.06245	3.1
191.06996	85.1
192.07465	1.3
193.04893	1.2
193.08522	2.2
195.06500	0.6
197.06036	0.5
199.07509	0.6
200.04860	0.3
201.05371	1.1
201.09105	1.6
202.06230	0.5
203.06989	8.0
205.06529	1.2
205.08548	13.4
205.10513	0.5
207.06456	1.3
207.08177	0.7
207.10075	1.1
209.08006	2.6
211.07600	1.1
213.05455	0.6
213.09093	0.3
214.06261	0.5
215.06969	2.3
217.06604	0.4
217.08539	8.1
219.08261	0.4
219.10172	1.8
220.07208	0.3
221.08011	9.1
221.09959	0.5
222.06882	0.4
223.07693	0.8
223.09514	0.4
225.09204	0.3
227.06950	1.2
229.08560	1.3
231.06477	1.3
233.07994	7.6
234.06653	1.4
235.07451	2.0
235.09622	8.0
237.09068	2.0
239.06929	0.5
239.10657	0.4
240.07660	0.4
241.08635	0.6
245.08083	2.7
247.09550	1.1
249.09088	2.0
251.07018	0.6
257.08008	1.4
259.09659	0.6
261.09091	0.6
263.06982	1.0
263.09116	13.5
264.07779	0.5
265.08145	2.4
265.10840	3.8
267.10089	1.8
269.08032	0.4
275.09094	0.7
276.10715	0.3
277.08572	2.6
279.10086	0.4
281.10068	3.1
283.09607	0.5
284.10300	0.3
289.08362	0.3
293.07257	0.3
293.10251	5.1
294.08881	0.4
295.09506	2.4
297.11078	0.6
299.09055	0.4
299.12454	0.5
300.09875	0.5
301.10797	0.5
305.08212	0.3
307.09570	1.8
308.10440	0.3
309.11139	2.2
311.11298	1.8
320.09610	0.3
323.09000	0.5
325.10535	1.3
327.12305	2.6
329.13803	1.9
337.10574	1.1
339.12241	1.6
340.23584	0.4
341.13782	1.1
351.12064	1.4
353.09851	0.4
353.13678	2.0
355.11633	4.8
357.13034	1.4
359.14960	1.1
365.13525	0.6
369.13263	3.1
371.14798	3.5
387.14313	40.0
388.14609	0.6
413.15649	1.6
437.13376	0.3
517.17914	2.0
519.20105	0.4
536.37897	0.3
549.20972	2.0
553.59155	0.3
588.66486	0.3
731.77142	0.3
918.07294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69222	0.3
65.03925	1.6
66.04739	0.3
67.05479	1.4
69.03061	0.5
69.03415	8.9
71.04948	0.5
75.04448	0.6
77.03902	0.3
79.05480	3.4
81.03393	4.3
81.07040	1.9
83.04970	0.5
84.31368	0.3
85.02109	0.3
85.02889	9.9
85.06588	0.4
87.04454	4.4
89.03888	0.4
89.99911	0.4
91.03927	0.3
91.05459	5.0
92.08739	0.4
93.03372	0.5
93.07023	1.2
94.04163	1.3
95.04942	4.3
95.08560	0.4
97.02870	7.5
97.06497	0.7
99.04443	1.2
102.04630	0.3
102.76628	0.3
102.78893	0.3
103.05449	23.2
103.33130	0.3
105.03364	1.3
105.04414	0.3
105.07005	4.1
107.04934	5.1
107.08598	1.4
108.02092	1.2
109.02869	1.4
109.06496	1.9
109.10112	0.5
110.03594	0.5
111.04449	2.2
113.05940	0.3
115.03912	4.2
115.05431	6.5
117.03336	0.4
117.06991	5.9
118.04146	3.6
119.04919	5.8
119.08571	1.3
121.06468	1.8
122.03642	4.7
123.04418	3.0
124.05154	0.5
125.05968	3.3
127.03918	2.1
128.06195	0.6
129.07010	4.2
130.04129	1.1
131.04904	52.0
131.08543	0.6
132.05649	1.4
133.02820	5.5
133.04976	2.6
133.06456	5.2
133.10071	0.4
134.03577	1.2
135.04395	1.3
135.08041	2.3
135.11723	0.4
136.58638	0.3
137.05956	100.0
137.09578	1.4
138.06404	0.3
141.05486	2.5
141.06947	1.1
142.02626	0.3
143.04922	6.8
144.05685	1.5
145.04857	0.5
145.05209	0.5
145.06462	9.3
145.07556	0.4
145.10022	0.6
146.03571	1.2
147.04388	8.4
147.08020	2.3
147.11655	0.4
148.04086	0.6
148.05176	11.0
149.05968	4.6
151.03885	73.6
151.04967	4.6
151.07440	3.3
152.04509	0.4
153.05447	4.1
153.06688	0.4
155.04872	0.5
155.05989	0.6
157.06467	4.2
159.04384	5.0
159.07997	1.7
160.05174	5.3
161.05952	7.3
162.06683	1.3
163.03905	1.1
163.07506	46.2
165.05423	4.0
165.09093	1.4
167.07011	12.7
169.06485	1.3
171.04370	2.0
171.06509	0.6
171.07919	0.3
172.05161	0.7
173.05957	10.4
173.09662	0.3
174.06688	2.5
175.07510	26.8
176.04680	3.5
176.08167	0.4
177.05455	10.1
177.09013	2.3
178.06227	1.1
179.07010	9.0
179.08459	0.7
181.04926	21.8
184.05154	0.5
185.05923	0.6
187.07497	9.5
188.08228	1.1
189.05515	2.1
189.07245	0.5
189.09074	4.7
190.06245	3.1
191.06996	85.1
192.07465	1.3
193.04893	1.2
193.08522	2.2
195.06500	0.6
197.06036	0.5
199.07509	0.6
200.04860	0.3
201.05371	1.1
201.09105	1.6
202.06230	0.5
203.06989	8.0
205.06529	1.2
205.08548	13.4
205.10513	0.5
207.06456	1.3
207.08177	0.7
207.10075	1.1
209.08006	2.6
211.07600	1.1
213.05455	0.6
213.09093	0.3
214.06261	0.5
215.06969	2.3
217.06604	0.4
217.08539	8.1
219.08261	0.4
219.10172	1.8
220.07208	0.3
221.08011	9.1
221.09959	0.5
222.06882	0.4
223.07693	0.8
223.09514	0.4
225.09204	0.3
227.06950	1.2
229.08560	1.3
231.06477	1.3
233.07994	7.6
234.06653	1.4
235.07451	2.0
235.09622	8.0
237.09068	2.0
239.06929	0.5
239.10657	0.4
240.07660	0.4
241.08635	0.6
245.08083	2.7
247.09550	1.1
249.09088	2.0
251.07018	0.6
257.08008	1.4
259.09659	0.6
261.09091	0.6
263.06982	1.0
263.09116	13.5
264.07779	0.5
265.08145	2.4
265.10840	3.8
267.10089	1.8
269.08032	0.4
275.09094	0.7
276.10715	0.3
277.08572	2.6
279.10086	0.4
281.10068	3.1
283.09607	0.5
284.10300	0.3
289.08362	0.3
293.07257	0.3
293.10251	5.1
294.08881	0.4
295.09506	2.4
297.11078	0.6
299.09055	0.4
299.12454	0.5
300.09875	0.5
301.10797	0.5
305.08212	0.3
307.09570	1.8
308.10440	0.3
309.11139	2.2
311.11298	1.8
320.09610	0.3
323.09000	0.5
325.10535	1.3
327.12305	2.6
329.13803	1.9
337.10574	1.1
339.12241	1.6
340.23584	0.4
341.13782	1.1
351.12064	1.4
353.09851	0.4
353.13678	2.0
355.11633	4.8
357.13034	1.4
359.14960	1.1
365.13525	0.6
369.13263	3.1
371.14798	3.5
387.14313	40.0
388.14609	0.6
413.15649	1.6
437.13376	0.3
517.17914	2.0
519.20105	0.4
536.37897	0.3
549.20972	2.0
553.59155	0.3
588.66486	0.3
731.77142	0.3
918.07294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.9
67.05486	1.8
69.03408	8.9
69.03756	0.5
71.04967	0.4
75.04445	0.6
77.03891	0.4
78.04711	0.5
79.05470	3.3
81.03401	4.6
81.07040	2.0
83.74348	0.3
85.02886	8.2
87.04437	3.7
89.03906	0.3
91.05459	5.7
92.09274	0.4
93.03373	0.6
93.07018	0.5
94.04158	0.5
95.04940	4.5
95.08592	0.7
96.49168	0.3
97.02859	8.8
97.06506	0.7
99.04446	0.7
102.04647	0.5
103.05443	23.1
104.06255	0.3
105.03355	0.7
105.07011	4.5
106.04121	0.3
107.04918	5.5
107.08595	0.5
108.02058	0.6
109.02885	1.9
109.06499	1.9
109.10136	1.3
111.04424	2.1
113.05984	0.4
115.03907	3.3
115.05414	6.8
116.06171	0.3
117.03401	0.4
117.06982	6.4
118.04140	3.7
119.04916	6.2
119.08528	0.7
121.06468	2.3
122.03609	5.2
123.04415	2.6
124.05190	1.4
125.05972	3.1
127.03880	1.7
128.06158	0.7
129.06935	3.5
130.04123	0.7
131.04897	51.5
131.08583	0.6
132.05615	0.5
133.02829	5.7
133.04964	2.4
133.06454	5.3
134.03543	0.4
135.04388	1.3
135.07956	2.2
136.05194	0.3
137.05946	100.0
137.09561	1.4
138.06322	0.5
139.07484	0.7
141.05443	2.0
141.07028	0.6
142.02524	0.5
143.04893	6.0
144.05688	1.3
145.02835	1.2
145.04868	0.7
145.06453	10.5
146.03604	1.6
147.03319	0.5
147.04382	9.4
147.08000	1.9
148.05156	10.6
149.05951	4.2
151.03874	77.5
151.04938	4.5
151.07420	3.8
152.04622	0.5
153.05438	3.3
153.06944	0.3
155.07016	0.5
156.05736	0.5
157.06436	4.5
158.07187	0.4
159.04359	3.1
159.08026	2.0
160.05170	6.4
161.05934	7.2
162.06718	1.2
163.03824	0.7
163.07497	46.4
164.04575	0.4
164.07866	0.4
165.05394	4.1
165.09100	2.3
167.06989	13.5
169.06447	0.6
171.04378	1.8
171.06448	1.3
172.05174	0.5
173.05937	10.6
174.06729	2.1
175.03902	0.6
175.07492	29.1
176.04608	3.2
177.05423	12.7
177.09103	2.4
178.06192	1.2
179.07033	7.3
179.08479	0.5
181.04915	24.8
181.08490	0.6
185.05931	1.2
187.07495	9.4
188.04584	0.4
188.08162	0.3
189.05431	1.7
189.07477	0.5
189.09097	3.9
190.06192	3.0
191.06985	88.6
192.07437	1.7
193.04961	1.3
193.08580	3.3
194.07111	0.5
195.06538	2.5
195.08031	0.5
197.05994	0.6
199.07571	0.6
200.04654	0.4
201.05356	0.6
201.09119	1.5
202.06186	0.4
203.06979	8.5
203.08675	0.4
205.06500	1.6
205.08530	12.4
206.07312	0.3
207.06432	2.0
207.08075	1.0
207.10118	1.5
209.07903	2.3
211.07523	1.3
213.05496	0.4
214.06219	0.5
215.07013	2.2
217.08557	8.5
218.07271	0.4
219.06377	0.5
219.10005	1.0
221.07925	5.2
223.09535	0.6
227.07043	0.7
229.08549	0.7
231.06351	0.5
233.05843	0.7
233.07962	7.2
234.06721	0.7
234.08849	0.4
235.07445	1.6
235.09592	6.8
236.08092	0.5
237.09106	2.6
239.07021	0.4
239.10493	0.4
241.08632	0.6
245.08026	2.3
247.07370	0.5
247.09618	1.4
249.09036	1.5
251.06960	0.6
253.08589	0.6
255.09943	0.3
257.07959	1.3
261.08847	0.6
262.06271	0.4
263.06970	0.9
263.09097	12.8
264.07718	0.4
265.08417	1.7
265.10846	4.1
266.09137	0.5
267.10059	1.8
269.08020	0.7
269.87457	0.3
275.08984	0.4
276.07709	0.4
277.08490	2.1
279.10001	0.7
281.10034	3.4
291.10126	0.6
293.07260	0.4
293.10266	7.0
294.08652	0.4
295.09610	1.5
297.11209	1.3
299.09091	0.6
299.12613	0.6
300.09781	0.6
301.10461	0.5
307.09494	1.2
309.11136	2.0
311.11221	1.3
321.11099	0.5
325.10397	2.2
326.11349	0.4
327.11990	2.3
329.13754	2.1
337.10699	0.4
339.12158	0.7
341.13715	1.4
351.11975	1.4
353.13629	1.3
355.11682	4.5
357.13126	1.8
359.14914	0.7
365.13492	0.6
369.13272	3.2
371.14948	3.6
387.14279	41.5
388.14514	0.6
413.15878	0.7
415.13342	0.6
517.18414	1.4
519.19696	1.3
549.21478	2.1
703.53583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20612	0.3
65.03927	1.5
67.05489	26.1
69.03414	12.5
69.07046	2.2
70.03738	0.3
71.04975	13.6
71.84901	0.3
73.06547	0.5
79.05470	8.8
80.13401	0.3
81.07036	17.0
83.04962	2.6
83.08600	3.2
85.02892	1.2
85.06525	21.4
85.52512	0.3
87.04436	3.9
87.46684	0.3
90.45650	0.3
91.05456	7.4
93.06417	0.4
93.07017	14.8
95.04942	30.5
95.08585	12.4
97.06522	0.7
101.05978	0.9
105.07010	15.4
107.04991	1.2
107.08575	17.9
109.06508	1.3
109.09400	0.3
109.10141	8.5
111.04410	3.2
113.05984	82.1
114.06339	0.3
117.07005	4.2
119.08545	10.3
121.06483	1.9
121.10118	12.1
123.04421	0.6
123.08041	0.6
123.11685	1.4
125.05968	3.8
127.07572	0.4
129.06972	3.3
131.08545	10.8
133.06471	0.6
133.10101	12.8
135.08009	0.7
135.11670	22.1
137.05978	0.6
139.07516	1.2
141.07019	0.7
142.07829	0.4
143.08549	8.0
144.09294	0.3
145.08586	20.1
145.10100	13.6
145.11206	0.7
147.07996	1.3
147.11665	10.1
149.05942	1.9
149.09526	0.5
149.13251	4.5
151.07532	1.7
151.11174	0.5
153.05429	1.7
155.07233	0.4
155.08531	2.9
156.09387	0.3
157.10094	6.3
159.08038	1.7
159.11653	12.2
161.09572	1.2
161.13217	9.9
163.07533	2.0
163.14807	0.6
165.09042	0.4
167.08495	0.6
169.10104	3.8
171.08011	0.6
171.11644	5.5
173.09639	0.4
173.13211	4.9
175.07532	1.2
175.11160	0.7
175.14780	2.6
177.09079	4.4
179.10616	0.3
181.10088	1.3
183.11652	4.7
185.09673	0.5
185.13213	10.8
187.07561	0.4
187.11157	3.5
187.14777	9.8
189.09097	2.3
189.12724	0.3
189.16315	2.6
191.10635	1.8
195.11606	2.7
197.13222	6.2
199.11124	1.2
199.14796	5.5
201.09119	0.6
201.12671	0.6
201.16373	5.4
203.10635	1.7
203.14299	0.4
203.17982	0.7
205.12177	4.7
209.13258	1.9
211.11172	0.6
211.14786	4.8
213.12762	2.8
213.16324	3.8
215.10646	1.1
215.14304	0.6
215.17856	3.8
217.12225	2.0
219.13812	0.7
221.13333	0.6
223.14883	2.7
225.12672	1.1
225.16370	1.9
227.14267	1.1
227.17912	1.7
229.12216	2.6
229.15808	0.4
229.19450	0.5
231.13751	8.6
233.15382	0.4
235.14894	0.4
237.16318	2.8
239.14275	2.2
239.17944	1.3
241.15871	0.5
243.13751	3.3
245.15321	3.3
251.17934	1.8
253.15793	0.6
253.19449	1.4
255.17332	0.4
255.21051	0.7
257.15314	8.3
265.15912	0.5
265.19403	1.3
271.16937	1.7
277.19516	2.2
279.17740	0.4
279.21048	6.4
283.16891	2.6
293.19336	0.6
293.22556	14.4
295.24063	1.5
297.18488	1.2
297.21744	0.4
303.20996	2.5
311.20398	0.5
311.23611	3.6
321.22092	15.1
339.23117	100.0
340.23221	2.6
357.24164	44.7
358.24493	0.6
375.25208	59.5
376.25604	1.2
422.83939	0.4
428.95798	0.3
451.28418	0.5
483.30896	0.7
501.32202	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	892.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.2
67.05139	0.8
67.05491	20.9
69.03411	37.0
69.07037	0.9
71.01321	0.6
71.04970	14.9
73.02900	4.0
79.05463	6.7
81.03397	9.5
81.07033	4.6
83.01298	0.5
83.04962	4.0
85.02884	100.0
85.06522	11.5
87.04453	8.8
91.03912	3.8
91.05453	6.1
93.07009	7.3
95.04939	62.9
95.08593	4.7
97.02866	33.2
97.06506	9.1
99.04417	6.5
101.02301	0.7
101.05997	0.7
103.03915	1.0
103.05392	0.6
105.07005	9.6
107.04941	1.1
107.08576	5.3
109.02860	11.0
109.06491	4.9
109.10184	3.9
111.04424	2.4
111.08031	0.5
113.05983	89.2
115.03874	1.1
117.07013	2.7
119.08556	7.4
121.06495	2.2
121.10124	3.2
121.12804	0.6
123.04417	1.2
123.08037	1.0
125.03961	0.5
125.05931	5.7
127.03889	23.0
128.06218	0.9
129.06973	3.9
130.07753	0.7
131.08534	7.6
133.06464	2.6
133.10091	5.2
135.04390	0.8
135.08080	1.0
135.11685	2.4
137.05942	3.8
137.09579	3.4
139.07530	0.6
141.06972	1.1
142.07751	0.5
143.08542	7.1
145.02937	1.7
145.04926	27.9
145.06639	0.9
145.08582	14.1
145.10095	8.0
147.04405	1.2
147.08038	2.3
147.11653	3.1
149.09648	0.7
151.03949	0.6
151.07529	0.8
153.05481	4.7
155.08531	3.2
157.06436	0.9
157.10068	5.7
159.08029	4.1
159.11652	5.2
161.05901	1.0
161.09596	1.0
163.03888	1.1
163.05989	8.3
163.07376	1.1
163.11113	0.6
165.09055	0.7
167.07047	2.4
167.08548	1.1
169.10124	3.3
171.08014	1.1
171.11615	4.9
173.09630	2.2
173.13246	2.9
175.07512	4.4
175.11159	1.1
177.05472	3.9
177.09109	1.1
178.04932	3.9
179.06973	1.9
179.08449	0.9
180.09268	0.7
181.10127	3.1
182.10870	0.8
183.06427	0.6
183.11671	3.3
185.09525	4.9
185.13231	2.4
187.07506	1.0
189.07581	2.9
189.09036	1.9
193.10135	1.2
195.11734	2.7
197.09621	2.7
197.13268	2.7
199.11118	4.5
199.14833	1.9
201.12733	0.6
206.04430	4.2
207.06476	0.6
207.11725	2.0
209.09605	4.4
209.13319	0.7
211.09451	0.7
211.11215	3.4
213.12671	0.9
217.12144	0.9
219.11630	0.6
221.13226	1.0
223.11160	0.7
223.14790	1.2
225.09216	0.8
225.12753	2.4
225.16336	2.7
227.10628	8.7
229.12248	0.8
229.15788	0.7
233.13214	0.8
235.11266	0.9
235.14757	0.9
237.16454	0.7
239.08972	1.1
239.14346	0.7
241.12137	1.1
245.11722	0.7
247.11198	0.5
247.14844	0.8
249.12619	0.7
249.16275	0.7
257.10025	6.4
269.19040	0.5
275.11288	4.3
275.17853	0.7
279.13828	0.8
282.52408	0.6
283.16989	0.7
289.15860	0.6
289.19345	1.1
295.16995	0.6
307.20404	4.0
311.20035	0.7
317.18893	3.9
325.11224	17.4
325.17883	0.6
325.21597	3.1
335.19934	13.1
343.22540	0.6
350.22684	0.7
353.21021	35.5
354.21408	1.2
359.23096	1.0
371.22079	40.6
372.22485	1.1
389.23132	64.9
390.23553	2.9
407.24084	2.2
447.24963	0.6
465.26102	0.8
483.27396	0.8
489.87183	0.5
533.30896	2.4
547.17584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.3
67.05492	27.8
69.03419	14.0
69.07063	1.2
69.26775	0.2
69.75985	0.2
71.04977	17.9
73.06537	0.7
75.66807	0.3
79.05463	4.9
81.07036	8.0
83.04953	2.9
83.08603	1.5
85.02894	0.6
85.06529	23.7
86.06844	0.3
87.04465	5.1
91.05454	4.4
93.07022	6.6
95.04948	37.1
95.08584	6.5
97.06482	0.3
99.08030	0.3
101.06015	0.7
105.07010	7.8
107.04933	0.5
107.08578	11.3
107.09290	0.5
109.06480	0.6
109.10152	3.8
111.04408	2.8
113.05990	100.0
114.06313	0.4
114.79306	0.3
117.06987	3.0
119.08554	5.4
121.06496	0.6
121.10110	5.4
123.04383	0.4
125.05985	5.2
127.07555	0.6
129.06969	0.6
131.08549	6.1
133.06416	0.4
133.10120	6.9
135.08028	0.3
135.11678	8.1
137.05994	0.3
139.07526	0.4
141.06941	0.5
143.08568	3.9
145.08591	22.7
145.10104	6.6
147.11679	5.7
149.05923	0.4
149.13242	2.0
153.05452	3.6
155.07063	1.1
155.08562	1.9
157.10103	4.1
159.08049	0.3
159.11668	6.9
161.09535	0.7
161.13237	4.3
163.07498	0.4
163.11217	0.5
169.10104	2.0
171.11641	2.5
173.13179	2.7
175.07524	0.6
175.14781	0.7
177.09065	1.3
181.10132	0.5
183.11626	2.9
185.13199	4.4
187.11177	0.7
187.14742	3.3
189.09108	1.6
189.16370	1.4
191.10625	0.4
195.11685	1.3
197.13179	3.2
199.14810	3.5
201.12714	0.5
201.16359	3.3
203.10638	0.6
203.14375	0.4
205.12242	1.4
207.11751	0.4
209.13272	0.7
211.14809	2.0
213.12727	1.4
213.16382	1.4
215.14305	0.6
215.17957	2.0
217.12111	0.4
221.13281	0.5
223.14787	1.4
225.12631	0.4
225.16362	1.2
227.14304	0.6
229.12227	1.9
231.13634	2.1
235.14995	0.4
237.16389	1.5
239.14323	0.5
239.17970	1.1
243.13634	2.1
245.15372	1.5
251.17860	1.1
253.19431	0.3
255.20915	0.5
257.15320	3.0
263.18076	0.4
277.19492	0.7
279.21088	2.8
283.16919	0.7
291.21057	1.4
293.22647	5.1
295.23947	0.5
309.22253	0.6
311.23749	1.8
321.22113	4.4
337.21576	5.3
339.23135	34.7
340.23410	0.5
355.22656	7.7
357.24158	31.0
358.24591	0.4
373.23660	19.8
375.25235	31.7
376.26025	0.5
451.28177	0.6
483.31128	1.3
501.32291	3.3
519.32416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.56
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.4
67.05489	27.1
68.05830	0.7
69.03416	17.2
69.07043	1.1
71.04972	18.6
72.05298	0.7
79.05470	7.0
79.95422	0.6
81.07034	12.7
82.07368	1.0
82.50923	0.6
83.04970	2.4
83.08611	2.2
85.06525	25.7
86.06879	1.3
87.04431	4.0
91.05443	6.9
92.09294	0.9
93.07017	12.3
94.07372	2.3
95.04942	35.3
95.08585	9.4
96.05286	1.0
97.06532	1.0
101.05982	0.7
105.07006	12.1
107.08573	11.5
108.08928	0.8
109.06502	1.3
109.10137	4.2
111.04426	2.7
113.05985	100.0
114.06320	7.2
117.07005	2.8
119.08556	9.0
120.08874	0.8
121.10088	9.5
123.08037	0.8
123.66080	0.6
125.05961	14.7
126.06293	2.9
129.06973	3.1
131.08553	8.2
132.08844	0.6
133.10088	7.7
134.10510	0.5
135.11674	7.2
137.05986	0.6
139.03862	0.7
143.08539	3.8
145.08582	18.5
145.10103	9.8
146.08939	0.7
146.10454	1.2
147.07973	0.6
147.11633	7.3
148.11964	1.1
149.13239	1.4
151.07492	0.7
153.05435	13.6
154.05815	1.2
155.07007	6.7
155.08371	1.5
157.10097	4.1
159.11684	10.3
160.12050	2.1
161.13235	5.7
163.07549	0.9
163.11107	0.6
168.87888	0.6
169.10115	2.5
171.11644	3.7
173.09625	0.9
173.13219	3.6
175.07535	0.8
175.14813	4.9
176.15182	0.8
177.09154	0.7
179.55212	0.5
181.10094	1.2
183.11673	3.6
185.13181	6.7
186.13686	0.8
187.11169	0.9
187.14809	3.3
188.14986	0.8
189.09119	1.1
189.16325	3.1
192.27991	0.6
195.11620	2.6
197.13199	2.5
199.14810	3.7
200.15172	1.2
201.16339	7.5
202.16795	2.0
203.10649	1.1
209.13252	1.4
211.14793	2.8
213.12738	0.8
213.16449	1.3
215.17902	2.8
220.14124	0.7
221.13268	1.4
223.14821	0.8
225.16328	1.0
227.14380	0.7
229.12126	2.2
231.13730	2.3
235.14865	0.8
237.16296	0.6
243.13824	0.8
245.15332	0.9
249.16333	0.8
251.17993	0.8
253.19414	0.7
257.15265	1.1
271.16827	0.7
277.19501	2.2
278.20081	1.0
279.20963	1.2
280.21243	0.7
281.15115	1.1
283.16708	0.7
291.21021	2.5
292.21436	0.8
293.22543	3.5
298.11661	0.6
308.47510	0.6
309.22006	1.2
310.22375	0.7
319.20480	2.4
319.87033	0.6
320.20752	0.7
321.22067	2.7
333.05200	0.6
337.21561	10.1
338.21820	6.8
339.23062	20.4
355.22589	18.5
356.22943	14.3
356.62207	0.6
357.24051	19.2
373.23651	42.6
374.23996	29.3
375.25006	26.6
381.54614	0.6
501.31686	2.3
518.31836	1.4
530.65302	0.7
687.00696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.0
67.05494	23.3
68.22705	0.4
68.46722	0.4
69.03417	11.7
69.07052	0.9
71.04601	0.7
71.04971	13.0
76.56118	0.3
79.05467	7.7
79.13918	0.4
81.07037	15.0
83.04959	2.6
83.08607	1.8
85.02889	0.4
85.06530	18.8
87.04449	2.2
91.05460	7.3
93.07021	13.3
95.04948	26.2
95.08587	8.6
97.06493	0.8
101.05939	0.4
105.07013	14.5
107.04938	1.7
107.08584	11.5
109.06464	3.6
109.10145	4.2
111.04417	0.9
111.08039	0.7
113.05989	75.5
117.07024	3.5
119.08554	10.2
121.06503	0.9
121.10126	10.2
122.12255	0.4
123.08034	0.7
123.11703	0.6
125.05965	26.2
125.09595	0.6
129.06998	2.9
131.04599	0.3
131.08546	8.8
131.09460	0.7
133.06415	0.4
133.10104	9.6
135.08035	0.9
135.11674	4.8
137.05968	0.6
137.09561	0.4
139.03880	2.0
141.06940	0.7
142.07797	0.7
143.08549	6.8
145.08582	9.7
145.10110	11.8
147.08022	1.4
147.11662	8.8
147.54468	0.4
149.13274	2.0
153.05441	20.0
155.07013	10.8
155.08517	3.2
157.10120	5.1
159.08037	1.5
159.11673	14.8
159.12950	0.8
161.09610	1.5
161.13223	5.2
163.07536	0.8
167.07045	0.5
167.08543	1.5
168.09329	0.5
169.10106	3.8
171.11665	4.6
173.09586	0.7
173.13239	3.7
175.11211	0.7
175.14792	8.3
177.09109	0.8
181.08681	0.6
181.10100	2.1
182.10997	0.5
183.11678	4.3
185.09583	0.7
185.13211	6.6
187.11223	1.4
187.14777	3.2
189.09035	1.7
189.16376	3.5
191.10590	0.5
193.10098	0.8
195.11632	3.1
197.09599	0.5
197.13191	3.8
199.11172	1.4
199.14771	5.6
201.09091	0.5
201.12703	0.5
201.16350	14.5
201.18170	0.6
203.10674	1.7
203.17967	1.6
207.10005	0.6
207.11804	0.7
209.13199	3.0
211.11218	0.4
211.14865	2.9
213.09148	0.4
213.12778	0.5
213.16359	2.1
215.10732	0.5
215.14145	0.6
215.17905	3.2
217.12222	2.8
217.15872	0.5
219.13644	0.4
221.13219	0.9
223.14792	1.7
225.16328	2.0
227.10730	1.4
227.14305	0.8
227.17786	0.7
227.85085	0.4
229.12186	1.9
235.14876	3.1
237.12753	0.4
237.16240	0.5
239.14479	0.5
239.17885	0.5
241.12236	1.7
243.13774	1.3
247.13135	0.5
249.16371	1.6
251.17929	0.9
253.19508	1.5
255.13692	2.8
257.15271	0.7
263.14331	0.7
273.14893	0.6
277.16388	0.5
277.19440	3.9
281.15323	2.3
281.22495	0.6
291.21017	4.8
293.22519	0.6
295.20322	0.4
300.39526	0.4
301.19354	0.5
309.18530	0.8
309.22070	4.5
319.20480	4.1
327.22998	1.5
337.21533	24.4
355.22592	46.4
373.23657	100.0
374.23959	1.8
469.83087	0.4
483.62051	0.4
517.31512	5.6
761.98779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.458
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40673	0.2
65.03909	1.4
65.60958	0.3
67.05490	23.1
69.03413	74.5
69.07057	3.5
70.03728	0.3
71.01333	0.6
71.04973	9.7
73.02892	2.3
73.06548	0.4
75.04459	1.8
78.09321	0.3
79.05468	7.4
81.03396	5.9
81.07037	5.3
83.01334	0.4
83.04964	4.7
83.08608	0.5
85.02885	44.7
85.06525	7.7
85.39564	0.3
87.04447	25.0
89.08675	0.3
91.03933	1.5
91.05462	3.8
93.07008	3.9
95.04943	54.8
95.08582	2.9
95.40607	0.3
97.02866	31.9
97.06505	29.6
99.04412	3.3
101.02346	0.5
101.05980	1.1
103.03917	0.7
105.07020	5.1
107.04917	1.1
107.08552	2.8
109.02863	3.7
109.06503	4.4
109.10130	2.4
111.04427	6.0
111.08086	0.3
113.05984	100.0
115.03903	24.6
115.07566	0.7
116.04272	0.3
117.06999	1.8
119.08555	4.2
121.06512	1.7
121.10114	2.3
123.04407	1.8
123.08044	0.6
125.05969	1.1
127.03889	7.7
127.07542	1.3
129.06947	0.5
131.08539	3.4
133.04936	19.9
133.06473	0.6
133.10094	3.9
135.04393	1.3
135.07999	0.5
135.11646	1.6
137.05963	5.0
137.09500	0.3
139.03848	0.4
139.07507	0.5
141.05470	0.6
141.06985	0.5
143.08534	3.0
145.02855	0.4
145.04936	5.9
145.06175	0.4
145.06473	0.3
145.08582	10.7
145.10052	3.6
147.08023	0.7
147.11674	3.6
149.05936	0.7
149.13210	0.5
150.07617	0.4
151.07544	1.5
153.05437	0.6
155.07037	2.0
155.08441	0.5
157.06421	0.4
157.10074	2.6
159.06512	1.1
159.07887	0.4
159.11661	4.1
161.05957	0.4
161.09538	0.3
161.13223	4.0
163.06131	0.8
163.07544	1.3
165.05499	0.3
167.07022	0.7
169.04967	0.4
169.10106	1.6
171.08000	0.6
171.11639	1.2
173.13202	1.2
175.07497	3.4
175.14842	0.6
177.05478	0.6
177.09009	0.3
179.06966	0.6
181.05077	0.3
181.08611	0.3
181.10120	1.3
183.11609	2.0
185.08116	0.3
185.13239	1.2
187.07458	0.4
187.14777	0.7
189.07542	3.0
189.09079	1.3
191.07047	1.3
193.08540	1.3
193.10130	0.5
195.11636	1.2
197.13174	0.7
199.14772	1.6
201.09113	0.5
203.10730	0.4
209.08037	1.1
209.13240	0.6
211.11264	0.6
211.14874	0.6
213.16251	0.4
215.17926	1.5
221.13261	0.5
223.14633	0.3
225.12758	0.4
227.08971	1.3
227.10872	2.6
229.12225	2.7
231.17365	0.4
237.16367	0.3
239.09061	1.4
241.06947	1.3
241.12216	0.5
243.13797	0.7
245.10103	2.6
247.13359	0.4
251.17712	0.3
253.19481	0.5
255.13710	1.2
257.10144	2.2
259.08066	3.5
269.15213	0.3
275.11224	4.0
277.10172	0.3
277.19547	0.4
281.15445	0.7
291.20898	2.1
295.10181	5.0
295.17004	0.4
309.22043	1.2
319.20551	2.4
337.21521	22.6
355.22589	21.9
355.27023	0.6
373.23642	38.6
374.23889	0.4
379.77902	0.4
397.23828	0.4
415.24652	1.8
433.25748	26.5
434.25491	0.3
471.03314	0.3
477.79160	0.3
517.31329	0.6
531.20508	0.3
746.36829	0.3
847.26703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.5
67.05492	24.0
69.03413	69.3
69.07053	8.8
71.01321	0.4
71.04975	6.9
73.02914	2.7
73.03235	0.3
73.06528	1.4
75.04448	1.5
76.36722	0.4
79.05469	14.2
81.03391	7.2
81.07034	6.3
83.01312	0.5
83.04958	3.7
85.02886	48.2
85.06521	4.7
87.04446	21.7
91.03912	2.5
91.05441	3.5
92.08956	2.3
93.07021	5.8
95.04944	62.9
95.08575	3.2
97.02345	0.4
97.02869	25.8
97.06506	75.7
98.06847	0.3
99.04428	3.1
99.08053	0.5
101.02336	0.4
101.05991	1.5
103.03910	0.7
105.07008	5.4
107.04928	0.7
107.08572	3.9
109.02860	3.5
109.06506	3.8
109.10139	2.0
111.04427	6.7
111.08079	0.5
113.05985	100.0
115.03904	16.4
115.07545	4.5
117.07011	1.6
119.04887	0.7
119.08570	4.2
121.06496	2.1
121.10126	2.4
123.04416	1.6
123.08075	0.6
125.02328	1.5
125.05950	1.7
127.03876	8.1
127.07537	5.9
129.07002	1.8
131.08524	3.8
133.04935	12.1
133.06447	0.6
133.09142	0.3
133.10103	3.3
135.04379	0.8
135.08093	0.5
135.11665	2.2
137.05940	3.9
137.93768	0.4
139.07518	0.9
141.05382	0.5
142.07706	0.4
143.08560	3.0
145.04935	8.5
145.08577	17.2
145.10066	2.5
147.08044	0.8
147.11633	2.8
149.05913	1.2
151.07487	1.5
153.05386	0.6
155.07008	0.8
155.08531	0.8
157.08755	0.4
157.10045	2.5
159.06479	0.8
159.07936	0.5
159.11671	3.5
161.05835	0.3
161.13251	3.4
163.05983	1.4
163.07495	1.5
165.05423	1.3
165.09087	0.5
167.07066	1.5
167.08487	0.4
169.04985	0.6
169.10075	2.0
171.11687	2.3
173.13200	0.8
175.07500	3.7
175.14700	0.6
177.09088	0.5
179.06964	0.7
181.08556	0.6
181.10057	1.6
183.11670	1.7
185.09653	0.5
185.13206	1.7
187.07564	0.6
187.14818	0.6
189.07552	2.8
189.09052	1.2
191.06944	0.5
193.08585	1.8
193.10112	0.4
195.11647	1.8
197.13174	1.7
199.14777	1.6
201.07440	0.5
201.09111	0.6
201.12735	0.4
203.10555	0.5
209.08037	1.4
209.13229	1.8
211.09552	0.8
211.11314	0.6
211.14853	0.5
213.12918	0.4
215.17896	1.6
223.14745	0.4
227.08855	0.7
227.10672	2.1
229.12263	3.5
235.14690	0.6
239.09041	3.5
241.12183	1.5
243.65277	0.5
245.10153	2.3
249.16252	0.5
253.19485	0.8
255.13684	0.8
257.10114	4.4
259.08157	0.8
275.11182	16.7
277.19540	0.5
281.15161	0.6
291.20901	1.6
295.10168	1.6
309.21997	1.8
319.20520	2.1
337.21542	21.6
355.22586	23.8
355.27020	0.7
373.23660	39.9
378.66461	0.4
403.20718	0.6
415.24628	0.6
427.16867	0.4
433.25781	26.7
434.25833	0.5
517.31305	0.4
532.47400	0.4
689.25018	0.4
734.03668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33718	0.5
65.03916	0.6
67.05498	1.0
69.03416	7.4
71.05001	0.5
73.02896	3.8
79.05457	0.6
81.03394	4.7
83.04963	2.3
85.02890	8.2
87.04478	2.0
92.09258	0.8
93.03378	2.6
95.04950	0.9
97.02879	4.0
99.04421	1.3
105.09608	0.5
109.02853	2.6
111.04434	6.7
119.04945	0.6
121.70953	0.6
125.02303	0.9
125.05954	4.3
125.85671	0.6
127.03892	5.1
135.04483	0.9
137.05968	4.6
139.03934	0.7
147.04372	5.6
151.03911	6.5
153.04311	0.9
153.05450	15.2
159.80753	0.5
161.05928	0.9
163.03879	2.3
167.07022	2.6
173.06029	0.6
175.03914	0.5
177.05467	2.6
181.05006	1.0
181.06433	1.0
183.06685	0.5
184.45120	0.6
189.05450	4.8
190.90950	0.5
195.08066	0.7
202.02348	0.5
203.03372	36.9
205.06479	3.3
210.06688	0.8
212.81566	0.5
217.08728	0.8
220.05190	1.1
221.05908	5.9
222.06491	0.6
223.07544	6.4
230.52802	0.6
231.02907	1.1
233.05922	2.9
234.06578	0.9
235.07576	3.8
237.09024	1.0
238.06235	3.8
239.07104	0.7
247.07533	1.0
248.04468	0.6
249.05423	14.0
250.06197	5.4
251.07008	9.6
253.08604	0.9
262.06317	0.6
263.06815	3.8
265.04889	0.6
265.08475	3.6
266.05685	23.4
267.06451	2.4
268.07217	1.0
269.08087	0.6
277.04916	20.6
278.05679	6.8
279.06378	7.1
281.08008	5.6
282.08795	2.2
283.09558	0.7
288.88684	0.5
291.06339	1.9
293.07977	6.3
294.05167	54.0
295.05902	3.7
297.09723	8.9
305.04532	1.1
309.07516	91.3
310.07944	1.2
311.09073	29.3
313.06912	2.5
319.06030	0.9
321.03763	0.7
322.04645	2.9
323.05463	0.9
337.06998	100.0
338.07254	1.0
339.08566	2.9
347.07443	3.9
353.06528	0.7
354.07034	0.6
355.08072	14.9
367.07858	1.0
481.10892	1.1
499.12125	7.1
501.14011	0.6
529.05811	1.0
529.13293	26.6
557.12402	2.6
637.15118	5.6
655.16522	14.0
673.17255	3.5
691.19000	4.0
869.74384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.3
69.03418	4.3
69.07098	0.7
70.32479	0.6
71.04958	0.7
71.08640	1.0
73.02904	5.8
79.05522	1.1
81.03417	4.3
81.07016	2.0
84.60168	0.6
85.02892	8.5
87.04456	0.8
91.03947	3.9
91.05473	3.0
92.64278	0.6
93.06988	0.6
95.04908	0.7
95.08598	3.2
97.02879	7.2
97.30664	0.6
99.04443	1.1
101.02361	1.4
101.42654	0.6
105.06992	0.7
107.08540	0.7
109.02885	1.0
109.10133	1.1
119.08567	0.9
127.03869	1.2
131.08572	0.8
133.10190	0.6
152.28784	0.6
162.96729	0.6
178.48126	0.7
185.04195	1.0
193.12308	1.0
203.05386	0.8
222.69972	0.7
243.08356	1.0
313.27396	0.7
347.09586	3.1
365.10767	0.7
368.03644	0.7
405.13580	6.8
441.54736	0.8
455.79181	0.7
469.20471	8.4
497.30728	5.2
507.11737	0.7
518.88440	0.7
631.25391	8.2
659.36609	4.3
725.43359	0.8
887.49542	100.0
888.49506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.5
67.05141	0.4
67.05491	9.1
69.03070	0.3
69.03419	6.7
71.04973	5.6
79.05467	1.1
81.03393	0.4
81.07033	1.3
83.04955	1.8
85.02900	1.4
85.06528	5.7
87.04456	1.4
89.03890	2.1
91.05460	1.3
93.07011	1.3
95.04945	12.7
95.08603	0.9
97.02847	0.3
101.05989	0.3
105.07025	1.4
106.49761	0.2
107.04922	1.3
107.08575	1.2
109.10149	0.4
109.25455	0.2
111.04446	0.3
113.05989	24.9
117.03352	3.7
117.07005	0.2
119.08548	0.8
121.10109	0.4
122.02142	0.2
129.06963	0.3
131.08545	0.9
133.10130	0.9
135.04390	12.9
137.02354	0.7
145.02827	10.3
145.04709	0.2
145.08582	4.0
145.10083	0.4
147.04449	0.3
147.11737	0.3
149.13173	0.2
157.10123	0.4
159.11696	0.4
163.03873	100.0
164.04167	1.1
165.97173	0.2
175.07463	1.5
175.14816	1.4
181.04889	0.2
229.00146	0.2
278.09647	0.2
291.10321	0.4
335.19592	0.2
337.10202	0.2
353.21024	1.2
355.10165	10.6
356.10220	0.4
371.22144	1.3
373.19064	0.2
373.23615	0.8
465.20779	0.2
469.23254	0.8
497.22891	1.3
515.24146	2.7
529.16895	0.3
533.24957	0.8
689.28888	1.0
707.30457	3.1
886.46045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.0
69.03417	4.3
71.04977	0.7
71.08612	0.9
73.02898	3.2
78.64222	0.5
79.05488	0.8
81.03417	1.3
81.07053	2.3
83.04978	0.8
85.02882	6.2
86.89298	0.5
91.03922	4.3
91.05444	0.6
91.12629	0.6
92.08674	2.5
93.07021	0.8
95.04940	0.7
95.08590	2.2
97.02877	7.2
99.04463	0.8
101.02374	2.6
107.08588	0.7
109.02853	0.8
119.08580	0.7
121.13783	0.6
125.80241	0.6
127.03919	1.1
145.10165	0.8
163.11250	1.0
201.05855	0.6
208.51935	0.5
223.71165	0.5
243.08505	2.5
347.09634	3.1
353.63614	0.7
405.13568	6.5
467.18845	8.1
483.27408	0.8
497.30734	5.6
629.24146	8.2
659.35992	4.5
723.42792	1.4
852.53357	0.7
883.80023	0.6
885.47968	100.0
886.48694	2.9
907.69098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.421
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.8
65.45165	0.3
67.05489	10.0
69.03412	6.7
69.07039	0.6
70.07582	0.4
71.04979	5.2
78.65467	0.3
79.05466	0.7
81.07024	0.9
83.04952	1.7
85.02876	2.0
85.06534	5.1
87.04433	1.7
89.03885	1.6
91.05451	0.7
93.07016	0.8
95.04946	15.6
95.08587	0.8
97.02865	0.6
105.07023	1.8
107.04933	0.9
107.08598	0.6
109.02906	0.5
111.73666	0.4
112.99957	0.4
113.05988	25.9
117.03385	3.4
119.08553	0.7
129.06908	0.4
131.08545	0.7
133.10112	0.9
135.04381	10.0
137.02304	0.6
137.09572	0.5
143.08542	0.4
145.02840	10.7
145.08597	3.6
145.10138	0.7
145.59113	0.4
147.11627	0.6
153.77292	0.4
159.11613	0.6
163.03871	100.0
175.07478	1.8
175.14775	0.7
292.19885	0.4
353.20999	0.9
355.10150	10.8
371.22083	2.3
373.23810	0.7
497.23172	0.6
515.24176	2.0
533.24927	0.8
633.92493	0.5
707.30255	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	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	16.9
69.03410	2.2
69.07053	8.7
69.84045	1.3
71.04960	3.0
71.08619	24.8
73.02908	2.2
79.05465	11.7
81.03401	35.1
81.07037	23.4
83.04958	9.3
83.08606	18.6
85.02893	22.2
85.06508	1.3
85.10168	13.0
91.03915	5.5
91.05451	15.9
93.07024	7.8
95.04959	14.2
95.08593	18.2
97.02886	6.8
97.10132	5.9
103.45399	1.4
105.07021	11.6
107.04954	1.8
107.08576	2.3
109.06521	2.1
109.10139	6.9
111.08053	3.3
119.08566	9.4
121.10101	2.8
123.11681	2.1
126.21598	1.3
127.03899	1.5
129.06969	5.2
131.08559	6.1
133.10123	6.9
147.11676	7.8
147.41971	1.4
149.09599	2.5
157.10101	9.4
175.11147	8.9
192.92136	1.3
193.12230	19.7
211.13246	19.9
250.72110	1.3
267.15811	9.5
285.16949	26.6
313.27313	64.2
324.84155	1.4
505.38803	13.0
523.39844	100.0
848.42090	1.7
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
65.03900	0.5
66.44654	0.4
67.05135	0.9
67.05489	22.9
67.55400	0.4
68.21922	0.4
69.03413	6.6
69.07050	10.7
69.07399	0.7
71.01341	0.4
71.04996	3.2
71.05311	0.5
71.08613	23.3
73.02895	3.9
79.04999	0.4
79.05473	17.1
81.03401	46.3
81.07039	31.4
83.04508	0.7
83.04968	12.0
83.08107	0.9
83.08603	23.1
83.93863	0.4
83.98105	0.4
85.02890	34.0
85.06502	1.0
85.10171	11.7
87.04461	0.7
89.06022	0.9
91.03943	8.2
91.05460	23.9
92.09220	0.6
93.07017	12.7
93.07558	0.7
95.04944	21.5
95.08582	22.7
97.02875	9.4
97.06505	2.5
97.10146	7.1
99.04429	0.8
99.08064	0.7
99.11724	0.7
103.07552	0.6
105.07017	15.9
107.04928	4.3
107.08578	6.3
109.06506	5.0
109.10132	9.1
110.67518	0.4
111.04430	2.3
111.08073	6.6
111.11687	0.5
113.05984	1.6
115.05415	0.7
117.07027	0.6
117.72062	0.4
119.08554	15.5
121.06488	1.6
121.10103	7.0
123.08049	2.4
123.11712	4.2
125.09557	0.7
127.03904	1.0
129.06978	7.3
131.08548	9.3
133.06508	2.5
133.10100	7.8
135.11603	0.5
137.09584	1.0
137.13304	0.7
142.07755	2.3
145.04959	0.7
145.10127	0.5
147.08017	3.0
147.10513	0.5
147.11661	13.0
147.12738	0.7
149.09615	6.0
157.10114	12.7
163.06042	2.5
165.12755	2.6
175.11148	12.0
193.12201	32.5
211.13255	35.7
224.18097	0.5
228.28343	0.4
239.23582	1.0
257.24750	2.1
267.15869	14.1
285.16895	49.8
313.27313	59.2
314.27811	0.9
334.84027	0.4
505.38657	14.5
523.39832	100.0
524.39862	2.4
593.76654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.0
65.35409	0.3
67.05488	27.8
69.03413	48.6
69.07034	0.6
71.04971	20.7
73.06532	1.6
75.04456	0.4
79.05464	3.2
81.07024	1.5
83.04958	2.3
83.08581	0.4
85.02874	0.4
85.06522	27.4
87.04446	4.3
91.05461	1.2
93.07001	1.8
95.04942	52.1
95.08585	0.7
96.05259	0.4
97.06506	14.2
99.08010	0.4
101.05981	1.8
102.99671	0.3
105.06987	2.3
107.04945	0.4
107.08575	2.2
109.06494	0.7
109.10151	0.6
111.04395	1.2
113.05982	100.0
114.06259	0.5
117.06952	0.4
119.08519	1.3
121.10129	1.2
123.08018	0.4
127.07532	0.5
129.07025	0.5
130.08607	0.4
131.08556	1.5
133.10107	0.7
135.11668	0.7
143.07065	0.3
143.08478	1.3
145.08569	34.5
145.09996	1.1
147.08044	0.6
147.11629	1.6
149.05946	0.4
149.13281	0.5
155.08447	0.4
157.10165	0.8
159.11676	1.7
161.13266	1.7
162.11195	1.8
163.07518	0.6
165.09164	0.4
171.11696	0.6
175.07529	0.8
181.10086	0.5
183.11646	0.5
185.13268	0.6
187.00475	0.3
189.09149	0.5
195.11620	0.4
199.14798	0.5
207.10129	1.5
209.13200	0.6
211.14961	0.5
215.17891	0.6
225.16472	0.4
227.10619	0.5
229.12265	2.0
235.14844	0.6
239.12749	2.0
241.12164	0.5
255.13995	0.4
257.13852	0.7
277.19348	0.5
291.21002	0.5
319.20395	1.2
337.21521	10.8
355.22559	11.1
373.23615	18.4
433.25714	18.0
684.34845	0.4
902.44977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.4
67.05491	1.4
68.05836	0.5
68.84235	0.3
69.03434	2.6
71.04996	0.7
71.29304	0.3
79.05476	0.8
81.07055	1.3
85.02892	6.4
85.06510	0.4
86.03227	0.8
91.05476	0.4
93.07039	0.7
95.04935	2.9
95.08630	0.4
96.05276	0.8
97.02885	1.4
97.05489	0.3
97.06527	0.4
105.07034	2.2
106.07375	0.5
107.08588	3.1
108.08920	1.3
113.05991	3.5
114.02111	0.4
114.06324	0.7
119.08582	0.4
121.10105	0.4
123.73726	0.4
128.04201	0.4
128.27151	0.3
131.08546	0.8
133.10153	0.5
137.05859	0.3
145.04985	1.3
145.10147	2.0
146.10484	1.9
147.11729	0.6
157.10083	0.4
159.11752	0.6
170.59045	0.4
173.09624	0.5
174.10008	0.4
191.10638	0.4
237.02864	0.3
240.43571	0.3
254.19862	0.4
262.25616	0.4
297.83087	0.4
347.09427	1.4
355.22952	0.4
357.23749	0.4
358.23578	0.4
374.24219	0.7
375.24493	1.9
376.24738	0.5
391.24893	0.8
392.25049	3.3
393.25281	2.4
394.25757	1.7
395.26273	0.6
410.25830	0.6
411.26337	0.5
413.23349	0.4
491.17194	1.6
509.18115	0.6
557.31421	0.8
594.84998	0.4
719.35925	2.6
765.70789	0.4
881.41266	100.0
882.41284	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	882.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	3.4
69.03415	23.0
69.07055	3.3
70.06567	0.6
71.04974	2.2
73.02894	0.6
75.04477	0.6
79.05457	3.0
81.03397	1.9
81.07037	6.0
83.04966	12.6
83.08603	11.6
83.80224	0.3
85.02890	26.0
85.06534	2.1
86.54900	0.3
87.04454	11.7
91.03908	0.5
91.05450	3.7
92.08806	0.4
93.07033	7.4
95.04945	9.9
95.08595	4.7
97.02868	19.7
97.06513	3.8
97.10149	1.9
99.04440	3.1
99.08066	0.7
103.03909	0.5
105.07001	3.9
107.08575	14.0
109.02856	2.0
109.06496	8.6
109.10142	11.2
111.08040	3.8
111.11696	0.4
113.06007	0.4
113.09661	0.7
115.03146	0.8
115.03911	14.8
115.07551	0.6
119.04911	9.6
119.08543	3.7
119.85518	0.4
121.06475	0.6
121.10122	17.0
123.04397	2.8
123.08046	2.0
123.11681	4.1
125.05878	0.5
125.09599	5.6
127.03893	3.5
130.55675	0.3
131.08553	4.0
133.04950	10.4
133.10106	15.5
135.08034	2.2
135.11679	3.5
137.05975	0.6
139.11156	3.7
143.08533	0.8
145.04938	3.6
145.10103	2.4
147.04388	75.0
147.11639	3.8
149.09492	0.4
149.13223	6.9
150.07594	1.8
151.09959	0.7
151.11159	17.0
151.12338	0.7
153.09084	5.8
157.12172	0.4
158.10896	1.8
159.03264	0.4
163.14764	5.2
165.05437	30.8
165.12700	0.8
167.14281	25.3
169.04971	0.5
173.13214	10.4
180.08609	2.3
181.15814	0.4
182.08105	0.8
191.14268	11.5
209.15334	100.0
210.15706	0.8
227.16393	12.6
241.07069	0.4
246.62218	0.4
249.55437	0.4
251.16386	0.7
259.08173	0.7
272.81680	0.4
275.16431	0.4
277.09030	0.5
295.10135	3.0
305.17401	0.8
309.09561	0.8
309.25293	0.4
341.19528	3.5
344.13327	15.7
353.19730	0.7
371.20490	2.0
389.21472	0.7
390.41779	0.5
454.40939	0.4
482.30139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	13.8
67.05499	16.4
68.64961	1.0
69.03413	2.2
69.07064	10.0
71.04991	1.6
71.08614	25.8
71.61034	1.1
73.02890	6.3
76.56314	1.6
79.05479	16.3
81.03413	10.3
81.07045	19.1
83.01340	10.4
83.04952	10.7
83.08598	16.9
85.02886	23.1
85.10168	15.1
87.04453	1.1
89.06011	1.8
91.03948	11.5
91.05460	8.0
91.73980	1.2
93.07020	21.7
95.04930	6.8
95.08587	19.3
97.02882	12.1
97.06521	5.1
97.10136	4.6
99.04441	1.9
100.80836	1.2
105.06994	6.4
107.04942	5.1
107.08586	11.0
109.06518	6.0
109.10139	9.3
115.03952	1.4
117.07005	6.3
119.08571	6.3
121.06481	1.6
121.10144	7.9
123.08018	8.5
123.11673	2.0
125.05947	1.6
127.03890	4.5
129.92502	1.2
135.11655	10.9
140.09091	1.2
145.10127	14.0
153.12773	1.4
163.05898	1.7
163.11153	24.6
173.09653	1.7
181.12257	3.0
191.10655	2.3
209.11711	5.7
227.12730	2.9
257.24683	2.9
283.15350	100.0
284.15686	1.3
305.18295	1.3
313.27310	90.0
368.67053	1.2
521.38257	65.1
522.38611	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.7
67.05493	20.0
68.47007	1.7
69.03426	1.7
69.07053	10.0
69.61629	1.4
71.08620	19.7
73.02900	1.8
73.13700	1.8
79.05479	24.3
81.03409	2.5
81.07038	26.9
83.08611	17.7
85.02887	9.0
85.10159	11.2
85.42101	1.6
91.05468	2.4
93.07020	30.9
95.04951	8.9
95.08592	47.3
96.05257	1.7
97.02893	2.4
97.06535	2.2
97.10162	3.4
99.04449	3.5
105.07040	3.5
107.04955	9.1
107.08575	25.3
109.06477	2.5
109.10140	9.2
113.28705	1.7
117.06962	7.3
119.08566	10.7
121.06515	4.5
121.10099	14.7
125.05915	2.1
133.10104	2.3
135.11673	43.2
145.10110	35.3
163.11151	67.2
181.12238	8.7
227.12747	54.2
257.24774	2.6
283.15363	70.3
313.27319	89.2
362.01379	2.2
521.38257	100.0
656.91650	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.8
69.07044	0.6
70.12330	0.6
71.69204	0.6
76.56735	0.6
81.07047	0.8
85.02888	0.7
92.08868	1.4
93.07085	0.6
95.08639	0.7
105.07029	0.8
107.08588	1.0
107.79243	0.5
109.10129	1.2
145.10136	0.6
149.65044	0.6
173.11728	1.2
472.80063	0.6
616.38416	0.7
653.97357	0.6
879.37555	100.0
880.37488	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	879.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.6
67.05496	11.4
69.03409	1.6
69.07053	2.3
72.88991	0.9
79.05474	18.9
81.03413	1.9
81.07034	16.6
83.04970	1.1
83.08597	1.2
85.02897	1.8
85.06532	1.4
91.05459	22.7
93.07028	27.7
95.04951	6.0
95.08575	13.7
97.06495	1.7
105.07011	30.2
107.04937	2.0
107.08585	29.3
109.02853	1.2
109.06522	6.5
109.10123	7.2
113.06007	7.6
115.05454	1.7
117.07005	10.7
119.08560	21.8
121.02932	1.0
121.06471	6.7
121.10106	10.4
123.04408	5.0
123.08007	1.7
125.05914	4.0
128.06195	4.8
129.06981	13.9
131.08546	24.6
133.06490	1.6
133.10117	17.2
135.07994	4.4
135.11685	4.9
137.05959	2.5
138.05453	1.3
139.03854	1.8
141.05424	1.7
141.06975	5.5
142.07742	5.8
143.08536	21.9
145.06453	4.1
145.08896	1.6
145.10091	25.1
147.08031	4.8
147.11673	13.3
149.05945	1.5
149.13216	2.3
153.05505	2.1
153.06976	4.3
154.07793	4.1
155.08521	15.7
156.09346	1.8
157.06528	3.8
157.10086	17.9
159.08067	6.0
159.11664	18.5
161.09590	5.0
161.13260	6.4
163.07552	1.9
163.11111	1.1
165.06978	4.8
166.07753	1.9
167.08525	6.8
168.09383	2.2
169.06503	1.3
169.10097	17.1
171.08031	5.6
171.11710	11.4
173.09615	2.4
173.13257	7.9
175.07518	14.9
175.11182	1.9
175.14720	1.7
179.08427	7.5
180.09328	2.3
181.10103	14.2
182.10846	2.0
183.08086	2.3
183.11647	17.4
184.12560	1.6
185.09589	4.1
185.13272	10.3
187.07564	2.4
187.11186	2.2
187.14824	6.4
189.09081	5.5
192.09209	1.3
193.10040	7.7
194.11000	1.4
195.08101	1.8
195.11632	10.8
197.09509	7.3
197.13216	11.5
199.11093	5.3
199.14774	5.7
201.09244	3.3
201.12714	2.1
201.16348	1.9
203.10616	1.6
205.10124	2.1
207.11626	7.3
209.09563	4.4
209.13164	7.9
211.11133	5.1
211.14772	4.3
213.08984	1.4
213.12721	4.0
213.16371	1.5
215.10693	4.2
215.14258	1.5
215.17940	5.0
217.10123	1.4
217.12085	1.2
217.15984	1.7
218.10855	1.8
219.11760	2.4
220.12453	1.1
221.13245	5.7
223.11191	2.0
223.14824	1.7
225.09113	8.1
225.12718	4.7
225.16301	1.8
227.10641	7.7
227.14304	1.9
229.12180	11.0
229.15953	1.6
231.11720	1.7
231.13805	2.5
233.13199	2.5
234.13960	1.3
235.14830	6.7
237.12590	1.8
237.16241	1.4
239.10576	4.2
241.12160	7.4
243.10066	2.2
243.13731	12.6
245.13225	1.3
247.14708	2.3
251.17891	1.9
253.12079	1.6
255.13814	4.3
263.18033	1.9
267.17355	1.2
271.20453	1.3
273.16125	1.3
277.12283	1.4
277.19492	5.0
279.17490	1.5
281.15225	1.6
287.18027	3.8
291.17599	1.8
291.20987	4.5
305.18939	6.5
307.20361	1.2
309.18414	4.8
309.22028	2.4
315.17331	1.5
319.20554	6.7
323.19885	8.9
327.19360	1.3
333.18344	10.7
337.21542	31.7
351.19498	32.2
355.22580	100.0
356.22949	3.9
369.16998	1.2
369.20508	52.0
373.23636	87.9
374.24228	1.2
387.21582	33.8
411.21576	2.1
429.22672	9.2
433.25598	6.6
447.23648	11.0
471.45529	1.4
662.32874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49342	0.4
67.74497	0.4
69.03408	0.5
74.68486	0.4
75.31503	0.4
85.02910	2.0
95.04967	0.8
97.06497	0.5
102.22057	0.5
104.85157	0.4
113.05991	1.9
152.79343	0.4
177.05354	0.5
373.23709	1.7
551.87384	0.6
713.24530	0.5
833.64020	0.5
879.37537	100.0
880.37408	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	877.509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68528	0.3
67.05482	2.2
69.03413	0.4
69.07050	0.8
70.90253	0.3
71.04976	2.4
78.07285	0.3
79.05485	3.7
80.22118	0.3
81.07037	4.6
83.04977	2.5
85.06547	2.9
91.05457	3.5
93.07024	6.9
95.04951	2.4
95.08585	4.1
97.05881	0.8
97.06509	22.4
99.08044	0.4
105.07007	9.9
107.04908	1.6
107.08582	5.7
109.06502	26.0
109.10138	1.6
111.08039	2.3
113.05988	3.0
117.06980	1.8
119.08546	6.1
121.06476	5.2
121.10111	2.0
123.08038	8.7
128.06213	0.7
129.06998	2.7
131.08549	8.3
133.06467	1.9
133.10092	6.2
135.08043	5.8
135.11668	1.6
137.09601	2.7
141.06985	1.5
142.07774	1.4
143.08539	10.6
145.10115	10.1
147.08006	4.4
147.11668	3.6
149.09602	3.3
149.13319	0.3
151.11205	0.8
153.05498	0.3
153.06958	0.4
155.08534	4.6
156.09308	0.4
157.10115	9.9
159.08063	2.5
159.11679	5.8
161.09586	5.5
161.13234	1.6
163.11142	2.6
167.08607	1.1
168.09277	0.4
169.10091	6.3
171.07997	1.6
171.11636	5.5
173.09592	6.2
173.13217	3.9
175.11127	5.7
175.38203	0.4
177.12730	1.9
179.08481	0.6
180.09268	0.5
181.10063	3.5
182.10863	0.8
183.11652	4.3
185.09593	1.6
185.13158	3.7
187.11148	7.4
189.12708	4.8
191.14209	0.5
191.48299	0.3
193.10078	1.6
194.10938	0.7
195.11658	5.0
197.09550	0.7
197.13200	3.5
199.11145	2.2
199.14796	0.7
201.12721	4.3
203.14302	3.8
207.11633	1.7
208.12431	0.6
209.13226	6.3
210.13947	0.7
211.11180	2.2
211.14813	3.1
213.12737	2.8
215.14265	9.8
217.12059	0.4
219.11673	2.1
220.12437	0.6
221.13223	0.7
223.11150	0.8
223.14778	2.1
225.12741	0.7
225.16275	0.7
227.14256	4.0
229.15907	1.9
233.13243	1.6
235.14767	4.4
237.12704	3.5
237.16362	0.4
239.14197	0.7
241.15820	2.5
246.14169	0.4
247.14703	0.7
249.16463	3.0
250.17055	1.9
251.14294	1.5
251.17897	7.5
253.15811	7.9
260.15433	0.6
265.15866	0.5
265.19263	0.6
267.17371	3.2
268.18085	1.3
269.18930	9.1
275.17969	3.4
278.16681	0.4
283.17227	0.4
283.20279	1.1
293.18924	23.7
296.17688	0.6
311.19989	100.0
312.20331	1.7
329.21039	58.5
330.21313	1.3
362.82596	0.3
369.20547	1.8
387.21567	1.6
405.22617	3.8
772.03516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	7.3
67.05490	53.2
69.03426	1.5
69.07050	20.3
73.02882	2.8
73.06576	1.7
79.05476	38.3
81.07034	70.8
83.04979	2.9
83.08600	8.3
83.42850	1.6
85.02895	8.9
85.06515	2.3
91.03957	2.5
91.05463	28.0
92.08638	4.9
93.07018	38.1
95.04917	2.2
95.08582	43.0
97.02896	2.6
97.06526	3.1
97.10127	3.2
105.07002	34.5
107.08567	28.3
109.06487	1.9
109.10138	13.4
111.08048	1.6
111.97521	1.6
117.07007	9.8
119.08556	24.3
121.10133	23.9
123.11677	3.6
126.35200	1.6
129.06990	3.6
131.08543	21.7
133.10089	18.6
135.11681	9.9
135.40474	1.5
143.08549	6.9
145.10100	14.2
147.11673	17.6
148.58846	1.7
149.13239	3.8
152.13824	1.7
157.10115	6.8
159.11703	11.7
161.13264	8.6
165.12735	2.0
171.11760	2.3
173.13249	3.6
175.14804	3.1
177.55370	1.6
178.75153	1.8
185.13100	2.1
187.14761	3.0
189.16292	1.7
199.14734	2.8
239.16394	11.2
241.17903	2.1
259.20599	2.7
261.22214	1.9
277.61417	1.8
333.24277	2.9
335.25726	22.2
395.62891	1.8
407.33182	2.8
425.34079	6.9
443.35089	3.4
447.31088	2.0
499.37891	22.3
517.38788	100.0
518.38751	2.4
557.45605	1.8
643.00623	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	876.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	10.2
61.39931	1.3
64.33434	1.5
64.72518	1.2
67.05496	51.4
69.03408	2.0
69.07053	20.1
71.04992	1.5
73.02901	2.4
74.25918	1.2
76.56076	1.3
79.05479	41.1
79.05917	1.5
81.07043	71.2
82.57571	1.2
83.04977	2.8
83.08588	12.8
85.02873	10.5
85.06533	2.2
91.03936	5.8
91.05466	29.8
93.07023	37.9
95.04922	2.9
95.08585	47.6
97.02887	5.7
97.06508	4.7
97.10119	5.4
105.07017	42.8
107.08584	27.6
109.10164	12.4
111.08046	1.4
117.06993	11.1
119.08563	33.8
121.10117	25.4
123.08054	1.9
123.11691	6.5
129.06973	1.8
131.08563	15.6
133.10103	19.9
135.11658	12.0
143.08554	7.5
145.04935	1.3
145.10097	17.0
147.11667	16.9
149.13252	5.9
155.08566	1.8
157.10123	8.0
159.11693	12.0
161.13239	6.9
163.14699	1.9
165.12747	2.9
171.11644	7.5
173.13245	7.4
175.14760	2.9
177.16365	1.6
185.13252	3.1
187.14822	2.2
199.14749	2.8
201.16397	2.7
239.16367	13.9
240.76868	1.3
255.76706	1.5
258.05191	1.5
259.20630	2.2
263.55035	1.4
285.81329	1.5
333.24207	2.3
335.25757	22.0
361.27475	1.9
425.33966	10.9
443.35175	6.1
460.17563	1.9
499.37686	28.4
517.38831	100.0
518.39209	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	876.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	10.2
61.39931	1.3
64.33434	1.5
64.72518	1.2
67.05496	51.4
69.03408	2.0
69.07053	20.1
71.04992	1.5
73.02901	2.4
74.25918	1.2
76.56076	1.3
79.05479	41.1
79.05917	1.5
81.07043	71.2
82.57571	1.2
83.04977	2.8
83.08588	12.8
85.02873	10.5
85.06533	2.2
91.03936	5.8
91.05466	29.8
93.07023	37.9
95.04922	2.9
95.08585	47.6
97.02887	5.7
97.06508	4.7
97.10119	5.4
105.07017	42.8
107.08584	27.6
109.10164	12.4
111.08046	1.4
117.06993	11.1
119.08563	33.8
121.10117	25.4
123.08054	1.9
123.11691	6.5
129.06973	1.8
131.08563	15.6
133.10103	19.9
135.11658	12.0
143.08554	7.5
145.04935	1.3
145.10097	17.0
147.11667	16.9
149.13252	5.9
155.08566	1.8
157.10123	8.0
159.11693	12.0
161.13239	6.9
163.14699	1.9
165.12747	2.9
171.11644	7.5
173.13245	7.4
175.14760	2.9
177.16365	1.6
185.13252	3.1
187.14822	2.2
199.14749	2.8
201.16397	2.7
239.16367	13.9
240.76868	1.3
255.76706	1.5
258.05191	1.5
259.20630	2.2
263.55035	1.4
285.81329	1.5
333.24207	2.3
335.25757	22.0
361.27475	1.9
425.33966	10.9
443.35175	6.1
460.17563	1.9
499.37686	28.4
517.38831	100.0
518.39209	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	876.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	8.2
65.03918	1.8
67.05492	22.3
69.03414	64.6
69.07047	1.8
71.04603	0.5
71.04973	9.1
73.02898	4.3
73.06510	0.2
73.32014	0.2
79.05470	4.0
81.03394	8.1
81.07034	3.0
83.01321	0.5
83.04966	4.5
83.08578	0.5
85.02886	91.0
85.06525	5.3
86.03172	0.3
87.04449	5.9
91.03937	4.1
91.05455	1.8
92.09044	1.6
93.07032	2.5
95.04942	60.6
95.08570	2.7
96.05283	0.3
97.02867	26.2
97.06505	11.5
99.04420	5.2
99.08037	0.3
101.02370	0.4
101.05988	0.5
103.03919	1.2
105.07009	4.1
107.04948	0.5
107.08591	3.0
109.02855	8.7
109.06475	1.3
109.10149	2.1
111.04424	3.0
113.05984	100.0
114.06329	0.5
115.03904	1.0
117.06963	0.9
119.04874	0.3
119.08549	2.6
121.06468	1.3
121.10095	2.0
123.04368	0.5
123.08046	0.3
123.78759	0.2
125.02316	1.6
125.05975	0.3
127.03889	21.9
127.07496	1.5
129.05479	0.9
129.06973	0.5
131.04784	0.2
131.08539	1.1
133.10085	2.3
135.11681	3.7
137.05925	1.3
139.03871	0.5
139.07539	0.3
143.08540	0.4
145.04932	26.7
145.08566	6.7
145.10089	1.8
147.04355	0.4
147.08009	0.4
147.11649	2.8
149.05925	1.4
149.13217	1.6
151.07480	0.4
153.05469	0.4
155.06998	0.5
155.08525	0.3
157.10139	0.5
159.11685	1.7
161.13205	4.1
163.05986	9.9
163.07338	0.3
167.06993	0.5
169.10039	0.3
171.11707	0.3
173.13234	0.3
175.07510	0.5
175.14775	0.4
179.06943	0.8
181.09975	0.3
183.11641	1.0
185.13193	0.9
187.14787	0.3
189.07527	6.4
189.09064	0.5
195.06441	0.3
195.11726	0.5
203.10704	0.4
209.13072	0.3
211.09491	0.3
211.14859	0.3
213.16451	0.3
215.17891	4.7
220.25827	0.2
221.08258	0.3
224.71471	0.2
229.12238	0.9
229.19482	1.9
231.08505	0.4
239.09178	1.8
255.13643	0.6
257.10110	4.9
271.07913	0.3
273.14731	0.6
275.11185	3.1
277.19528	0.5
281.22531	0.3
289.09015	1.9
291.21027	0.4
299.16278	0.3
306.84753	0.2
309.21942	1.0
311.19904	0.4
319.20724	0.7
319.79791	0.3
325.11203	12.7
337.17776	0.3
337.21518	6.4
355.22601	29.4
356.22855	1.0
366.98285	0.3
371.22015	0.3
373.23651	29.2
374.24033	0.5
385.96661	0.2
391.24692	1.2
423.33560	0.3
469.69632	0.2
558.57953	0.3
607.25958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	11.7
67.05492	24.7
69.03417	40.1
69.07043	1.2
70.06584	0.6
71.04975	14.1
73.02884	2.5
78.99102	0.7
79.05483	5.2
81.03396	11.1
81.07043	3.8
83.01333	0.7
83.04974	2.8
85.02888	100.0
85.06528	12.3
86.03201	1.1
87.04453	9.0
91.03929	4.2
91.05466	2.7
93.07044	1.6
95.04942	60.0
95.08605	2.9
96.05241	0.8
97.02870	29.2
97.06505	7.3
99.04448	5.8
101.04780	0.7
101.06002	0.9
105.07010	4.8
107.04947	2.8
107.08573	4.6
109.02856	10.8
109.10151	3.4
111.04440	3.3
113.05985	99.3
115.03897	0.9
117.07008	1.7
119.04921	2.8
119.08553	2.8
121.06502	1.6
121.10121	1.2
125.05967	1.0
127.03891	26.1
129.06926	1.1
131.08557	1.6
133.10065	0.9
135.04433	0.9
135.08051	0.9
135.11688	0.9
137.05939	5.8
143.08600	1.2
144.19644	0.7
145.02846	4.3
145.04939	26.1
145.06717	0.8
145.08594	17.5
145.10071	3.1
147.04367	1.7
147.11710	1.3
149.06020	0.8
157.10114	0.9
159.11691	4.0
161.09595	0.8
163.03867	2.9
163.05983	9.8
163.11064	0.8
167.07033	4.5
169.10028	0.7
171.11636	1.3
175.07549	1.0
175.14758	0.9
177.05420	8.6
179.07057	0.8
181.04968	1.6
185.13165	1.0
189.07483	1.6
199.14717	0.7
211.14890	1.0
227.10756	1.3
229.12259	1.1
235.89763	0.9
239.09108	0.9
257.10132	4.5
275.11212	4.1
289.09344	1.3
295.00745	0.7
300.33090	0.7
319.20239	0.8
325.11227	12.1
337.21469	8.6
355.22388	5.8
373.23508	8.4
391.24719	26.2
395.82782	1.0
624.78394	0.8
726.60858	1.1
779.54120	0.9
880.50177	0.9
881.28766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	9.2
65.03928	1.7
67.05495	22.5
68.56886	0.3
69.03418	35.6
69.07043	0.8
71.01321	0.4
71.04977	14.4
73.02896	3.0
73.06557	0.7
75.04455	0.3
75.95042	0.3
79.05463	3.8
81.03400	9.4
81.07034	2.3
83.01329	0.7
83.04967	3.0
83.08624	0.5
85.02891	100.0
85.06528	13.8
86.03206	0.7
87.04459	7.7
91.03938	4.7
91.05460	1.6
93.07026	2.7
95.04948	53.3
95.08578	2.2
97.02869	32.4
97.06507	9.1
99.04436	5.3
101.05988	1.4
103.03925	1.2
105.07012	3.9
106.07368	0.3
107.04945	0.7
107.08598	2.8
109.02872	9.1
109.06507	1.5
109.10162	1.7
111.04436	2.0
113.05990	95.4
114.06336	0.7
115.03909	1.9
117.07021	1.5
119.04908	0.6
119.08549	2.3
121.06499	0.7
121.10134	0.8
123.04424	0.6
123.08002	0.3
127.03900	23.2
128.04239	0.5
129.06956	0.5
131.08551	2.5
133.06470	0.7
133.10124	1.8
135.04431	0.7
135.11684	0.7
135.25880	0.3
137.05923	2.6
143.08527	1.9
145.02956	1.2
145.04942	26.0
145.08577	18.2
145.10074	1.6
147.08066	0.6
147.11665	1.7
149.06038	0.8
149.13193	0.5
151.07570	0.5
153.01273	0.3
153.05443	0.4
155.07065	0.4
155.08589	0.5
157.10114	2.1
159.11679	2.9
161.05956	0.4
163.03885	0.5
163.05997	9.2
163.14868	0.3
164.92168	0.4
167.07001	1.8
169.10097	0.5
171.11646	0.7
173.09534	0.4
173.13187	0.7
175.07544	0.4
175.14716	0.7
177.05421	2.0
179.07062	0.6
181.04945	0.5
181.10017	0.6
183.11685	1.5
185.13278	0.6
187.14784	0.7
189.07550	2.7
189.09064	0.8
189.16348	0.6
195.11589	0.5
197.09607	0.4
203.10619	0.6
211.14803	0.4
213.07484	0.4
213.16397	0.6
217.12245	0.4
227.10614	1.2
229.12233	0.5
239.09105	1.8
242.47087	0.3
243.13771	0.6
249.16270	0.5
257.10150	5.5
271.08154	0.4
275.11264	4.3
289.09003	0.6
291.20850	0.6
309.22009	0.5
319.20578	1.7
325.11209	13.1
337.21570	10.2
354.21237	0.4
355.22543	5.4
371.22098	0.5
372.22186	0.4
373.23648	8.6
378.84082	0.4
389.22968	0.6
390.23462	0.7
391.24701	23.8
432.27399	0.4
694.71814	0.4
735.35522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	8.3
65.03929	1.0
67.05494	22.9
69.03416	35.8
69.07054	0.9
71.04974	12.5
73.02906	3.5
73.61938	0.4
79.05474	4.3
81.03400	9.1
81.07040	5.4
83.01358	0.6
83.04971	4.3
83.08651	0.5
85.02892	100.0
85.06527	13.5
85.43270	0.4
87.04449	6.9
87.11559	0.4
91.03934	4.8
91.05473	3.3
93.07019	5.0
95.04949	53.1
95.08588	2.9
97.02874	30.1
97.06506	8.7
99.04420	5.1
99.08099	0.5
101.05982	0.8
103.03907	1.0
105.07021	6.0
107.08576	4.6
109.02870	8.4
109.06485	2.3
109.10143	0.6
111.04418	2.9
113.05991	96.0
115.03931	1.0
117.07013	0.5
119.04936	0.5
119.08546	3.6
121.06513	0.7
121.10127	2.7
125.05972	7.2
127.03894	21.1
127.07572	0.5
129.06963	0.6
131.08546	3.6
133.06439	0.7
133.10121	3.7
135.04399	1.0
135.11642	0.8
137.05948	2.1
143.08586	1.0
145.02858	1.9
145.04939	27.7
145.08575	16.5
145.10097	4.2
147.08002	0.7
147.11632	3.3
149.05966	0.6
149.13274	0.6
153.05417	7.0
155.07025	2.4
155.08453	0.8
157.10121	0.8
159.11716	3.5
161.13249	2.0
163.05989	8.4
167.06973	0.9
171.11667	1.7
173.09586	0.8
173.13220	0.9
175.07497	0.7
175.14790	4.3
177.05461	1.9
179.07047	1.0
183.11737	0.7
185.13153	0.7
187.14757	0.7
189.07544	3.6
193.08475	0.6
197.08015	0.6
197.13200	0.8
201.16379	3.2
203.18031	0.5
209.13225	0.5
211.14807	0.5
221.08038	0.6
233.51340	0.5
239.09093	2.3
253.74438	0.5
255.13583	0.6
257.10138	7.3
271.07828	0.7
275.11230	4.8
284.61661	0.5
289.09167	0.7
309.22034	1.0
319.20300	1.9
325.07709	0.6
325.11261	16.0
337.21564	6.7
355.18439	0.6
355.22592	13.0
355.26401	0.5
373.23679	37.5
391.24683	17.2
517.31750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	6.1
65.03910	0.3
67.05486	10.7
68.05824	0.4
69.03414	24.2
69.07041	1.3
70.03757	0.5
71.01334	0.6
71.04604	0.4
71.04974	8.2
71.05362	0.4
73.02898	2.9
73.06509	0.4
75.04446	0.5
77.05997	0.6
79.05469	5.3
81.03403	7.2
81.07037	6.6
82.03730	0.3
83.01310	0.7
83.04961	18.4
83.08605	1.4
85.02887	100.0
85.06524	21.2
86.03227	2.5
87.04446	50.3
89.06032	0.4
91.03461	0.3
91.03929	2.7
91.05457	3.3
92.09005	2.3
93.03381	0.4
93.07011	5.5
95.04942	21.2
95.08592	5.2
96.05289	1.3
97.02866	25.6
97.06509	5.1
99.04433	7.8
101.02319	0.5
101.05970	1.8
103.03914	0.6
103.05465	0.4
105.07018	7.6
107.04933	1.2
107.08574	11.8
109.02864	7.9
109.06486	0.7
109.10148	2.7
111.03655	0.5
111.04419	14.1
111.05148	0.6
113.05982	30.1
114.06319	2.5
115.03902	0.5
115.07512	2.8
117.05482	1.8
117.07014	2.9
119.08566	4.5
121.06472	0.7
121.10106	4.6
123.04376	0.4
123.08039	0.3
123.11648	0.3
125.05980	1.8
127.03892	17.2
128.04231	0.4
128.06177	0.3
129.05457	9.6
129.06972	1.4
131.08525	6.2
133.10101	5.3
135.08064	1.5
135.11644	5.7
137.05962	1.7
137.09601	0.7
139.07524	0.4
141.06975	0.4
143.07011	7.8
143.08530	3.4
145.02963	1.1
145.04932	17.8
145.08601	3.9
145.10112	9.4
146.05255	0.5
147.04391	0.6
147.07996	0.5
147.11668	6.7
149.05971	0.6
149.09586	1.3
149.13245	2.0
151.11205	0.4
153.05490	0.6
155.08575	0.7
157.10078	3.2
159.08072	0.6
159.11647	6.0
161.08066	1.1
161.09575	1.9
161.13216	3.3
163.03897	0.6
163.05997	6.0
163.07495	1.6
163.11168	0.6
165.09068	0.6
165.12752	0.3
167.07025	1.6
169.10146	1.4
171.11641	2.6
173.09541	4.0
173.10622	0.3
173.13237	1.6
175.11140	1.3
175.14796	0.7
177.05472	1.6
177.09122	1.2
177.12749	1.2
179.07059	0.5
181.04953	0.4
181.10097	0.7
183.11678	1.7
185.09599	0.4
185.13222	3.1
187.07524	0.3
187.11162	2.0
187.14749	2.3
189.07619	1.0
189.09114	1.2
189.12721	0.6
191.10623	3.1
191.14368	0.4
195.11652	1.5
197.13297	1.4
199.06006	0.6
199.14787	1.3
201.12672	0.4
201.16365	1.6
203.10718	0.5
205.12160	1.4
209.13243	0.7
209.15189	0.3
211.11247	0.4
211.14796	1.5
213.07578	0.3
213.16441	1.3
215.10806	0.4
215.14307	0.3
215.17984	1.2
217.12283	0.4
223.14783	0.7
225.12637	0.4
227.17932	0.4
229.12349	0.5
231.13733	1.4
232.52496	0.3
237.07527	1.7
237.16377	0.7
239.09196	0.5
243.13718	0.7
245.15413	0.4
253.19524	2.6
255.08583	2.0
257.10077	1.6
257.15350	1.2
271.20541	2.0
273.09619	6.4
275.11136	1.2
279.21127	1.4
289.09076	1.4
293.22540	2.9
309.22031	0.7
319.20593	1.4
321.21948	2.5
323.13245	3.6
325.11163	6.1
326.11591	0.6
327.23077	0.4
333.06894	0.3
337.21588	5.6
339.23117	21.1
355.22571	8.0
357.24155	29.7
358.24417	0.4
368.06467	0.4
373.23645	7.6
375.25229	17.9
389.23389	2.4
390.23553	3.0
391.24677	31.0
392.24930	0.4
398.26984	0.3
581.71436	0.4
709.09216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	6.1
62.53094	0.6
65.03923	0.6
67.05487	19.0
69.03413	27.3
71.04964	10.6
73.02898	2.5
79.05050	0.8
79.05473	13.0
81.03393	8.6
81.07031	5.7
83.01321	0.8
83.04958	3.3
85.02888	75.8
85.06525	10.2
87.04436	3.6
91.03924	2.6
91.05453	7.3
92.09182	1.0
93.07010	5.0
95.04945	40.6
95.08599	5.1
97.02866	24.6
97.06519	9.0
99.04442	5.1
105.07001	14.4
107.04914	0.6
107.08575	50.4
109.02863	9.3
109.06517	2.7
109.10113	0.9
111.04412	1.0
113.05984	64.0
115.03914	0.8
117.06995	4.0
119.08553	7.0
121.10119	3.5
123.07973	1.1
127.03879	14.2
129.06985	2.2
130.07739	0.6
131.08539	20.8
133.06419	0.7
133.10107	8.0
135.11646	2.8
137.09630	0.8
143.08557	7.8
145.04938	19.0
145.06166	0.9
145.06552	0.7
145.08575	6.9
145.10097	30.2
147.08060	0.7
147.11656	10.2
149.09615	2.8
155.08534	1.1
157.10095	6.6
159.11674	10.7
161.02403	0.6
161.09567	4.8
161.13231	1.0
163.05984	5.8
163.11130	2.8
165.12697	1.4
169.10094	3.5
171.11635	3.7
173.09572	22.3
173.13223	1.4
175.07362	0.6
175.11176	6.7
177.12689	3.2
183.11641	2.3
185.09665	0.8
185.13200	2.4
187.11237	4.7
187.14816	0.7
189.07513	1.0
189.09082	0.7
189.12759	2.0
191.10614	13.6
191.14247	3.0
195.11548	0.6
197.13150	1.3
201.12746	1.4
209.13362	0.8
209.15294	1.3
211.14850	0.7
212.01503	0.6
221.13274	0.9
225.16484	0.7
229.12195	0.9
239.09079	1.0
243.13637	1.0
249.16339	0.7
253.19432	14.3
257.10123	4.0
271.20502	10.3
275.11188	2.8
277.19376	1.2
285.40189	0.6
289.09531	0.7
289.21680	1.3
291.20905	1.2
295.20474	0.9
301.19165	0.8
309.22043	2.3
319.20554	5.9
325.11227	9.5
337.21548	24.0
355.22635	22.0
355.26959	0.9
373.23648	50.2
374.23889	1.4
391.24698	100.0
392.24973	2.7
409.25821	17.4
488.86002	0.8
489.68994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	6.1
65.03910	0.3
67.05486	10.7
68.05824	0.4
69.03414	24.2
69.07041	1.3
70.03757	0.5
71.01334	0.6
71.04604	0.4
71.04974	8.2
71.05362	0.4
73.02898	2.9
73.06509	0.4
75.04446	0.5
77.05997	0.6
79.05469	5.3
81.03403	7.2
81.07037	6.6
82.03730	0.3
83.01310	0.7
83.04961	18.4
83.08605	1.4
85.02887	100.0
85.06524	21.2
86.03227	2.5
87.04446	50.3
89.06032	0.4
91.03461	0.3
91.03929	2.7
91.05457	3.3
92.09005	2.3
93.03381	0.4
93.07011	5.5
95.04942	21.2
95.08592	5.2
96.05289	1.3
97.02866	25.6
97.06509	5.1
99.04433	7.8
101.02319	0.5
101.05970	1.8
103.03914	0.6
103.05465	0.4
105.07018	7.6
107.04933	1.2
107.08574	11.8
109.02864	7.9
109.06486	0.7
109.10148	2.7
111.03655	0.5
111.04419	14.1
111.05148	0.6
113.05982	30.1
114.06319	2.5
115.03902	0.5
115.07512	2.8
117.05482	1.8
117.07014	2.9
119.08566	4.5
121.06472	0.7
121.10106	4.6
123.04376	0.4
123.08039	0.3
123.11648	0.3
125.05980	1.8
127.03892	17.2
128.04231	0.4
128.06177	0.3
129.05457	9.6
129.06972	1.4
131.08525	6.2
133.10101	5.3
135.08064	1.5
135.11644	5.7
137.05962	1.7
137.09601	0.7
139.07524	0.4
141.06975	0.4
143.07011	7.8
143.08530	3.4
145.02963	1.1
145.04932	17.8
145.08601	3.9
145.10112	9.4
146.05255	0.5
147.04391	0.6
147.07996	0.5
147.11668	6.7
149.05971	0.6
149.09586	1.3
149.13245	2.0
151.11205	0.4
153.05490	0.6
155.08575	0.7
157.10078	3.2
159.08072	0.6
159.11647	6.0
161.08066	1.1
161.09575	1.9
161.13216	3.3
163.03897	0.6
163.05997	6.0
163.07495	1.6
163.11168	0.6
165.09068	0.6
165.12752	0.3
167.07025	1.6
169.10146	1.4
171.11641	2.6
173.09541	4.0
173.10622	0.3
173.13237	1.6
175.11140	1.3
175.14796	0.7
177.05472	1.6
177.09122	1.2
177.12749	1.2
179.07059	0.5
181.04953	0.4
181.10097	0.7
183.11678	1.7
185.09599	0.4
185.13222	3.1
187.07524	0.3
187.11162	2.0
187.14749	2.3
189.07619	1.0
189.09114	1.2
189.12721	0.6
191.10623	3.1
191.14368	0.4
195.11652	1.5
197.13297	1.4
199.06006	0.6
199.14787	1.3
201.12672	0.4
201.16365	1.6
203.10718	0.5
205.12160	1.4
209.13243	0.7
209.15189	0.3
211.11247	0.4
211.14796	1.5
213.07578	0.3
213.16441	1.3
215.10806	0.4
215.14307	0.3
215.17984	1.2
217.12283	0.4
223.14783	0.7
225.12637	0.4
227.17932	0.4
229.12349	0.5
231.13733	1.4
232.52496	0.3
237.07527	1.7
237.16377	0.7
239.09196	0.5
243.13718	0.7
245.15413	0.4
253.19524	2.6
255.08583	2.0
257.10077	1.6
257.15350	1.2
271.20541	2.0
273.09619	6.4
275.11136	1.2
279.21127	1.4
289.09076	1.4
293.22540	2.9
309.22031	0.7
319.20593	1.4
321.21948	2.5
323.13245	3.6
325.11163	6.1
326.11591	0.6
327.23077	0.4
333.06894	0.3
337.21588	5.6
339.23117	21.1
355.22571	8.0
357.24155	29.7
358.24417	0.4
368.06467	0.4
373.23645	7.6
375.25229	17.9
389.23389	2.4
390.23553	3.0
391.24677	31.0
392.24930	0.4
398.26984	0.3
581.71436	0.4
709.09216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.5
67.05474	1.0
69.03416	2.7
69.07043	0.2
71.04984	0.3
73.02892	0.3
79.05457	0.7
80.39719	0.1
81.02931	0.3
81.03394	7.2
81.07021	0.2
85.02881	3.7
87.58800	0.2
90.14738	0.2
93.07030	0.2
95.04937	8.9
95.08576	0.3
97.02866	6.2
97.06506	2.5
99.04423	1.4
105.07007	0.2
107.08559	0.2
109.02853	3.7
111.04413	2.1
113.05963	0.9
118.27753	0.2
119.08543	0.4
121.02832	100.0
122.03168	0.4
127.03861	2.1
133.62770	0.2
134.81509	0.2
139.03867	17.8
145.04980	0.7
163.03792	0.3
181.04878	0.2
181.10260	0.2
221.08119	0.3
223.05859	0.2
239.09027	0.8
247.05983	0.7
265.06989	10.0
283.08051	16.9
320.33481	0.2
337.21515	0.9
355.22592	0.7
359.11163	0.4
373.23688	1.1
377.12262	0.3
395.13196	1.8
433.25958	0.2
694.10162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	29.9
69.03407	19.5
69.07018	1.6
69.41222	1.6
71.04971	21.0
79.05464	9.0
81.07037	14.5
83.08609	3.6
85.06523	24.5
87.04462	3.6
91.05453	3.4
93.07011	9.8
95.04945	32.9
95.08580	13.2
105.06997	8.6
107.08578	17.3
109.10146	3.8
111.04403	2.3
113.05986	100.0
117.06932	2.9
119.08561	9.8
121.10089	7.3
125.05961	2.0
127.17648	1.9
131.08563	7.3
133.10118	8.2
135.11644	13.8
143.08551	3.3
143.95973	1.9
145.08580	22.1
145.10088	8.1
147.11688	9.2
153.05411	2.6
157.10129	3.4
159.11650	4.3
161.13243	4.3
168.39665	1.7
169.10136	2.5
171.11551	6.4
175.67532	1.8
177.08998	2.0
181.09990	1.8
185.13205	7.0
187.11121	1.8
187.14748	3.1
197.13173	2.7
201.16284	2.9
211.14815	2.8
213.16304	2.6
225.16301	2.8
229.12155	2.3
231.13684	2.9
257.15268	2.7
279.21231	2.1
293.22507	7.5
321.21976	7.2
339.23145	48.9
356.22900	2.6
357.24170	25.6
373.23883	7.2
374.24149	3.9
375.25183	30.7
581.47461	1.9
613.19934	2.3
637.26984	3.0
849.23285	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	874.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	9.2
65.03927	1.8
67.05492	60.5
69.07059	16.7
70.28436	1.3
71.04952	2.2
73.02889	1.8
79.05473	43.0
81.03400	3.3
81.06593	2.6
81.07041	52.5
83.04980	16.0
83.08604	3.6
85.02428	1.6
85.02888	10.4
85.06532	2.1
91.03938	3.1
91.05455	23.5
91.53989	1.4
93.07026	63.2
95.04950	6.8
95.08584	32.8
97.02839	3.2
97.06499	9.5
97.10145	3.8
105.06999	10.5
107.08576	40.0
109.10147	14.5
111.08078	3.1
117.06968	6.9
118.12400	1.5
119.08559	10.6
121.06622	1.8
121.10139	16.7
123.11691	3.0
127.03922	2.2
131.08502	7.4
133.10123	8.8
135.11673	38.0
145.10106	12.5
147.11693	2.0
149.13254	2.3
153.12727	9.3
159.11639	2.5
161.13254	1.7
163.11134	5.8
166.78796	1.4
172.24823	1.6
173.13245	2.1
181.12199	3.0
217.75232	1.8
227.12585	1.6
255.15834	35.7
261.22101	6.0
312.05212	2.3
335.25732	58.4
515.37274	100.0
533.38062	2.3
896.95532	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	874.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	9.2
65.03927	1.8
67.05492	60.5
69.07059	16.7
70.28436	1.3
71.04952	2.2
73.02889	1.8
79.05473	43.0
81.03400	3.3
81.06593	2.6
81.07041	52.5
83.04980	16.0
83.08604	3.6
85.02428	1.6
85.02888	10.4
85.06532	2.1
91.03938	3.1
91.05455	23.5
91.53989	1.4
93.07026	63.2
95.04950	6.8
95.08584	32.8
97.02839	3.2
97.06499	9.5
97.10145	3.8
105.06999	10.5
107.08576	40.0
109.10147	14.5
111.08078	3.1
117.06968	6.9
118.12400	1.5
119.08559	10.6
121.06622	1.8
121.10139	16.7
123.11691	3.0
127.03922	2.2
131.08502	7.4
133.10123	8.8
135.11673	38.0
145.10106	12.5
147.11693	2.0
149.13254	2.3
153.12727	9.3
159.11639	2.5
161.13254	1.7
163.11134	5.8
166.78796	1.4
172.24823	1.6
173.13245	2.1
181.12199	3.0
217.75232	1.8
227.12585	1.6
255.15834	35.7
261.22101	6.0
312.05212	2.3
335.25732	58.4
515.37274	100.0
533.38062	2.3
896.95532	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	874.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02631	0.4
61.02914	8.6
63.49963	0.2
64.33377	0.2
65.03925	1.4
67.05490	22.1
69.03413	36.4
69.07040	0.6
71.01318	0.3
71.04972	14.6
73.02882	2.8
73.06522	0.4
78.51705	0.2
79.05470	5.6
81.03398	8.3
81.07040	2.5
83.01309	1.1
83.04955	4.3
83.08604	0.2
85.02885	95.3
85.06523	13.3
86.03224	0.4
87.04441	9.9
91.03931	4.2
91.05465	4.6
92.08638	0.6
92.09251	1.2
93.07018	4.1
95.04942	51.0
95.08585	2.4
97.02866	29.5
97.06502	7.7
99.04428	5.8
101.02344	0.6
101.06004	1.4
103.03909	1.3
105.07012	10.1
107.04939	1.6
107.08573	18.0
109.02859	9.0
109.06487	1.6
109.10147	0.4
111.04412	2.9
111.08091	0.4
113.05984	84.6
115.03926	1.1
117.05384	0.2
117.07003	4.0
119.08553	4.1
121.06474	1.7
121.10110	3.8
123.04407	1.0
123.08029	1.4
123.70412	0.2
125.05989	0.6
127.03888	21.5
127.07522	1.2
128.40948	0.3
129.05472	0.5
129.06982	2.0
130.07813	0.3
131.08534	9.5
133.06479	1.0
133.10133	3.8
135.08040	2.1
135.11658	0.4
137.05951	1.1
139.07533	0.3
141.06958	1.0
142.07776	1.0
143.07028	0.4
143.08531	4.4
145.04932	23.4
145.08582	11.6
145.10101	6.8
147.08009	1.6
147.11665	3.0
149.05966	0.4
149.09589	3.2
151.03955	0.4
151.07489	0.4
155.07181	0.3
155.08519	1.4
157.10097	7.7
159.08006	1.6
159.11639	6.2
161.05942	1.0
161.09552	3.5
163.05984	8.0
163.07393	0.6
163.11121	0.5
165.09087	0.4
167.07011	0.6
167.08453	0.5
169.10094	1.2
171.08031	1.3
171.11638	3.7
173.09630	0.4
173.13223	7.2
175.07509	1.6
175.11137	3.0
175.14873	0.5
177.09085	1.1
177.12726	1.7
179.07050	0.4
181.04880	0.3
181.08562	0.5
181.10078	0.4
183.11668	1.1
183.62842	0.3
185.09535	2.9
185.13260	0.5
187.11134	1.0
189.07529	2.3
189.09052	15.8
189.12704	0.3
190.09312	0.3
191.10585	0.6
191.14273	2.8
195.11743	0.3
197.13277	0.6
199.11095	0.5
199.14769	0.6
203.10602	6.9
207.10089	0.5
209.15337	1.3
213.08986	1.0
217.16000	0.4
221.11632	0.6
227.10782	0.3
231.10083	3.2
239.09120	1.6
249.11095	3.9
249.16383	0.6
253.12241	0.3
257.10101	4.1
258.53571	0.2
271.07639	0.4
275.11285	2.8
275.17892	0.6
289.09097	1.3
289.19400	0.4
293.18805	0.3
307.20657	1.0
309.21979	0.3
317.18887	1.4
325.11197	9.6
325.15106	0.3
325.21472	0.3
327.22958	0.4
335.20010	5.6
353.21039	12.1
371.22049	15.9
372.22446	1.7
373.22629	0.5
389.23129	100.0
390.23398	1.2
399.91138	0.3
407.24216	11.1
450.66855	0.3
596.63239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	8.1
65.03923	1.0
67.05139	0.8
67.05490	22.3
69.03412	31.3
69.07042	1.0
71.01331	0.5
71.04972	14.5
73.02892	3.6
73.03235	0.4
77.83621	0.5
79.05479	6.1
81.03391	10.1
81.07030	7.1
83.01322	0.6
83.04969	3.7
83.08591	0.5
85.02886	79.2
85.06524	14.3
87.04443	7.1
91.03931	3.0
91.05449	4.5
92.08986	3.1
93.07018	7.7
95.04944	50.8
95.08587	5.1
97.02865	24.4
97.06502	10.1
99.04427	4.0
101.05999	0.9
103.03921	0.7
103.05444	0.6
105.07003	6.8
107.04935	1.1
107.08566	4.7
109.02855	9.5
109.06510	1.1
109.10130	2.7
111.04414	2.2
113.05984	100.0
115.03900	1.0
117.06987	2.2
119.04914	0.7
119.08553	6.0
121.06470	0.9
121.10130	4.6
123.04361	0.7
123.08040	0.7
125.05966	1.9
125.09604	0.5
127.03892	17.0
129.06989	0.8
131.04863	0.6
131.08528	3.4
133.06453	0.5
133.10123	5.0
135.04431	0.8
135.11679	0.8
137.05919	2.6
137.09579	0.8
139.03896	0.8
143.08556	2.9
145.02914	0.7
145.04944	18.5
145.08580	14.0
145.10095	4.8
147.04398	1.6
147.08006	0.6
147.11690	5.6
149.05992	1.0
149.09639	0.6
149.13245	0.6
151.07536	0.6
153.05443	1.9
155.08548	0.8
157.10095	2.5
159.08070	0.6
159.11659	5.9
161.13272	0.5
163.03860	0.9
163.06006	6.9
163.07402	1.4
165.09137	1.8
167.06981	2.8
169.10083	1.0
171.11676	2.6
173.13231	2.7
175.14764	14.4
177.05403	0.7
177.12929	0.5
179.07095	0.5
179.10597	0.5
181.04913	0.7
181.08560	0.8
181.10057	1.6
183.11653	1.0
185.13240	1.9
187.14771	0.7
189.07549	2.5
193.10110	0.8
195.11798	0.6
197.13283	1.0
199.14722	1.4
209.13347	0.8
211.14761	0.5
213.16347	1.0
221.07841	0.7
225.09129	0.4
227.10652	1.0
227.17920	3.6
239.09172	0.9
253.12109	0.6
257.10092	4.6
275.11292	2.1
289.19324	1.0
307.20523	2.0
325.11185	9.8
325.21280	0.6
335.19977	8.0
353.21024	20.1
371.22064	21.2
371.26773	0.8
389.23123	66.7
390.23428	0.6
430.25473	0.7
472.31213	0.5
522.74475	0.5
533.30975	10.2
547.98254	0.5
553.71680	0.4
755.06610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.9
63.19579	0.6
65.03925	0.8
67.05495	13.9
69.03416	27.8
69.07050	1.2
71.04977	9.8
73.02892	2.5
79.05471	5.9
79.79549	0.4
81.03393	6.8
81.07045	5.4
83.04966	3.6
83.08582	0.6
85.02892	70.2
85.06525	7.6
87.04456	8.4
91.03927	2.9
91.05454	6.3
93.07021	6.4
95.04949	32.8
95.08585	2.6
97.02872	21.1
97.06529	5.9
99.04422	3.6
101.05972	0.7
105.07015	15.8
107.04942	2.1
107.08577	13.9
109.02886	5.2
109.06504	2.1
109.10155	0.7
111.04431	2.3
113.05991	56.7
115.03943	0.7
115.05436	0.7
117.06985	6.6
119.08564	6.0
121.06514	1.0
121.10110	4.1
127.03891	13.7
128.06189	3.8
129.06923	3.9
130.07777	2.4
131.08546	12.4
133.06444	1.0
133.10106	10.9
135.04434	0.8
135.08018	2.4
135.11688	1.1
137.09491	0.6
143.08556	15.7
145.04938	15.9
145.08636	6.0
145.10106	15.5
147.08028	3.2
147.11676	2.5
149.06021	0.8
149.09608	4.0
155.08527	1.2
157.10106	5.8
159.08043	1.1
159.11674	7.1
161.05966	0.9
161.09583	13.1
161.13260	0.9
163.05998	4.6
163.07425	1.6
163.11226	1.1
165.12735	0.9
167.07031	1.0
169.10094	2.0
171.07994	8.1
171.11707	2.5
173.09618	1.1
173.13205	0.9
175.07512	2.0
175.11180	3.8
175.14836	0.6
177.05489	0.6
177.09093	2.4
177.12689	3.6
181.04900	0.6
181.10063	0.8
183.11685	1.1
185.09579	2.8
185.13184	0.7
187.07678	0.6
187.11133	0.7
189.07570	1.6
189.09070	29.4
189.12686	0.7
191.10625	0.7
191.14287	3.0
197.09607	0.7
199.11147	1.0
201.05551	0.6
201.09093	1.1
203.10672	1.9
205.08443	0.6
209.15341	1.3
225.12729	0.6
227.10701	1.0
231.10049	0.9
239.09192	1.0
241.12297	0.5
249.55751	0.6
257.10287	2.4
275.11270	2.4
275.17957	0.9
289.19476	2.4
291.20740	0.7
293.18774	1.0
307.20532	5.7
317.19025	2.3
325.11206	7.3
325.21429	5.0
331.40250	0.5
335.19962	8.2
343.22421	1.0
353.21045	22.4
371.22131	24.6
373.23737	4.3
379.53995	0.6
389.23157	100.0
390.23599	1.0
407.24301	10.8
417.31326	0.6
677.58911	0.6
701.62836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.8
65.03923	0.3
67.05484	3.3
69.03411	11.1
69.07059	0.4
69.17172	0.1
71.01310	0.4
71.04972	4.3
73.02898	1.5
73.06537	0.3
74.35042	0.2
75.04445	0.5
77.06017	1.0
79.05470	3.6
81.03392	5.8
81.07029	7.8
83.01342	0.3
83.04961	20.0
83.08604	1.1
85.02885	70.6
85.06521	15.8
86.68998	0.2
87.04444	57.1
87.08115	0.2
89.06025	0.3
91.03947	1.3
91.05453	3.7
92.08988	1.4
93.07022	7.6
95.04922	1.8
95.08573	5.3
97.02866	16.7
97.06524	1.5
99.04426	6.4
101.02383	0.3
101.05987	1.0
103.03909	0.4
105.07010	8.1
107.04911	0.5
107.08574	7.4
109.02856	5.3
109.06499	2.4
109.10130	2.9
111.04420	17.3
111.08016	0.3
113.05989	2.3
115.03838	0.3
115.07539	2.0
117.05454	1.1
117.06993	2.1
119.08555	6.5
121.06473	1.0
121.10112	5.6
123.04395	0.2
125.05961	14.3
125.09610	0.9
127.03889	10.0
128.06181	0.3
129.05452	11.3
129.06862	1.3
131.08537	4.8
133.06438	0.2
133.10101	5.5
135.08029	1.0
135.11655	3.0
137.05963	1.3
137.09575	0.3
139.03874	1.1
139.07504	0.3
141.05530	0.3
141.06941	0.4
142.07756	0.3
143.07010	5.4
143.08528	2.9
145.02849	0.4
145.04924	8.2
145.08884	0.3
145.10097	8.0
147.04297	0.2
147.08034	1.3
147.11659	6.2
149.05980	0.3
149.09596	0.3
149.13213	1.1
151.07489	0.3
153.05435	15.2
155.07004	7.5
155.08495	1.5
157.10117	3.7
159.08026	0.9
159.10341	0.4
159.11661	10.3
161.08072	0.4
161.09593	0.5
161.13229	3.4
163.05966	2.9
163.07480	0.8
163.11177	0.3
163.14742	0.3
164.68159	0.3
165.24220	0.2
167.07018	1.1
167.08362	0.5
168.09319	0.3
169.10085	2.1
171.08005	0.3
171.11646	2.6
173.09549	0.3
173.13228	2.5
175.07480	0.3
175.11182	0.3
175.14789	5.7
177.05409	0.8
177.09103	1.0
179.07039	0.4
179.08516	0.3
181.08583	0.6
181.10091	1.6
183.11674	2.7
185.09605	0.4
185.13229	3.5
187.07402	0.3
187.11153	0.7
187.14743	2.3
189.09021	0.7
189.12666	0.4
189.16341	2.4
191.10739	0.4
193.08485	0.4
193.10056	0.4
195.11626	2.0
197.13197	2.2
197.57068	0.2
199.05930	0.4
199.11220	0.4
199.14790	3.8
201.12679	0.9
201.16353	10.4
203.10645	0.9
203.14278	0.3
203.17918	1.0
207.09972	0.3
207.11681	0.7
208.01723	0.2
209.13208	2.2
211.11150	0.3
211.14821	1.7
213.12740	0.4
213.16347	1.3
215.10594	0.9
215.14217	0.4
215.17926	2.1
217.12158	1.3
219.11800	0.3
221.13231	0.9
223.14783	1.1
225.16231	0.7
227.10625	0.9
227.14326	0.3
227.17885	0.8
229.12184	1.6
231.13799	0.2
233.11533	0.3
235.15045	1.6
236.15475	0.2
237.07516	1.5
237.12663	0.4
237.16296	0.8
239.14357	0.3
241.12163	0.8
243.13744	0.9
247.13144	0.8
249.16301	1.2
251.17871	1.2
253.16046	0.3
253.19411	1.4
255.08522	1.4
255.13701	2.1
257.15305	1.0
259.13187	0.2
263.14337	0.3
263.17947	0.3
267.13657	0.4
267.21103	0.3
269.15329	0.7
271.16846	0.2
273.09634	4.4
273.14575	0.7
277.19458	2.8
280.34552	0.2
281.15323	1.1
289.09131	0.3
291.20987	4.1
293.22531	0.4
295.17038	0.7
295.20282	0.3
296.17316	0.2
301.19577	0.4
309.18524	0.3
309.21988	2.6
319.20453	2.7
323.13275	1.5
325.11154	1.4
327.23090	0.9
337.21539	17.9
338.21884	0.3
355.22580	31.5
356.22952	0.3
373.23636	100.0
374.24066	1.6
389.22949	0.7
414.26404	0.7
483.27579	1.6
501.28085	1.1
515.29913	0.3
533.31006	20.6
534.31458	0.4
574.33820	0.3
661.13629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	0.5
62.89558	0.1
68.99778	0.4
69.03413	2.1
71.04975	6.2
73.02889	0.5
75.04475	0.2
75.26215	0.1
77.89691	0.1
81.03392	2.6
83.04964	7.7
83.08530	0.1
84.49800	0.1
85.02888	8.8
86.10976	0.1
87.04444	0.2
95.04927	0.1
97.02867	2.7
97.06557	0.1
99.04433	0.5
101.05971	0.6
103.25594	0.1
109.02859	1.9
111.00785	0.6
111.04410	0.2
121.02869	0.9
121.03635	0.1
123.04391	0.2
126.60954	0.1
127.03881	3.0
129.05450	1.2
135.04388	0.1
137.02306	5.2
137.03346	0.2
137.05923	0.1
145.02831	0.4
145.04970	0.7
147.04388	0.2
147.06392	0.2
149.02306	0.7
153.01802	2.2
155.07359	0.1
161.05975	0.2
163.03853	1.0
165.01782	1.5
166.02600	0.1
167.07025	0.2
171.02901	0.1
173.05991	0.1
177.05434	0.6
183.02829	0.6
187.03807	0.2
187.05951	0.6
195.02870	0.1
199.03841	0.1
201.05484	1.0
201.68364	0.1
205.04973	0.1
207.06496	0.2
209.75832	0.1
219.02837	0.2
227.09084	1.1
229.04907	2.6
245.10132	1.0
247.06073	0.8
257.04367	2.5
261.03882	0.2
274.04758	0.4
275.05502	0.2
285.03867	0.9
303.04922	100.0
304.05255	1.3
315.04794	0.1
327.04901	0.2
345.06012	1.2
411.06824	0.1
413.08356	0.2
433.44028	0.1
465.10120	0.2
467.65717	0.1
529.13110	0.1
547.14355	7.7
548.14777	0.2
565.15375	8.2
566.15564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	6.6
65.76975	0.2
67.05506	2.4
69.03414	17.1
69.07049	0.4
71.01344	0.4
71.04605	0.3
71.04975	6.5
73.02547	0.3
73.02897	3.0
73.06540	0.7
75.04458	0.5
77.06039	1.6
79.05473	2.5
81.03404	8.6
81.07033	4.3
83.01311	0.6
83.04966	20.7
83.08598	0.5
85.02890	100.0
85.06527	24.7
87.04450	72.7
87.08072	0.6
89.06026	0.7
91.03940	2.7
91.05458	5.5
93.07020	5.3
95.04955	1.5
95.08577	3.3
97.02871	24.6
97.06509	1.8
99.04424	9.7
101.02349	0.7
101.06010	0.7
103.03899	0.6
103.84769	0.3
105.03389	0.2
105.07008	5.3
107.04933	0.4
107.08569	5.5
109.02862	7.1
109.10139	1.6
110.05980	0.3
111.04429	15.8
113.05990	1.9
115.03928	0.4
115.07533	3.4
116.06239	0.7
117.05490	2.9
117.07017	1.4
119.04949	0.3
119.08549	5.2
121.06496	0.5
121.10118	0.7
122.82925	0.3
123.08045	0.5
125.06006	0.4
127.03893	16.2
128.06169	0.6
129.05461	12.4
129.06906	2.7
131.08551	5.4
133.06476	1.4
133.10121	3.6
135.11696	0.5
137.05998	0.4
141.06967	0.4
143.07030	8.2
143.08543	1.8
144.06555	0.3
144.09364	0.3
145.03812	0.6
145.04942	16.4
145.10133	1.8
147.08035	0.5
147.11668	3.1
151.07529	0.4
155.08502	0.5
157.10126	1.7
159.08102	0.4
159.11670	2.0
161.05908	0.4
161.08104	1.1
161.09535	0.5
161.13165	0.4
163.05994	4.7
163.07413	0.6
165.09116	0.4
167.07069	0.4
167.08571	0.5
169.10187	1.2
171.11673	0.4
173.09576	0.4
173.13229	1.3
175.07507	12.4
175.14792	11.6
177.05414	1.4
177.09053	0.7
179.06999	0.7
181.10043	0.5
183.11642	0.6
185.13268	0.7
187.07599	0.5
189.09096	1.4
195.11679	0.6
197.13182	0.5
199.06004	1.2
201.09059	0.4
209.13257	0.3
213.09108	0.3
213.12646	0.5
215.10701	0.5
221.13277	0.3
225.09157	0.5
225.36687	0.3
227.10709	0.7
235.14745	0.5
237.07477	2.4
241.12267	0.5
255.08531	3.1
273.09622	7.1
287.11292	0.5
289.09085	0.6
307.20538	0.5
323.13416	2.5
325.11230	2.0
325.21771	0.3
335.19949	2.7
353.21011	8.8
371.22095	89.1
372.22269	2.3
379.98282	0.3
389.23029	0.3
412.24814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	7.6
63.32647	0.3
65.03921	1.7
67.05489	24.5
69.03413	32.3
69.07058	1.5
71.04604	0.6
71.04974	12.7
73.02903	2.4
73.06551	0.4
79.05454	3.1
81.03396	8.6
81.07031	2.9
83.01308	0.5
83.04961	2.7
83.08620	0.3
85.02887	81.2
85.06524	10.8
87.04442	5.6
91.03936	3.4
91.05470	2.9
92.09331	0.4
93.07027	3.7
95.04943	50.0
95.08600	2.3
97.02869	24.1
97.06507	6.5
99.04419	3.9
101.05989	0.6
103.03904	0.4
105.06982	3.9
107.04955	0.5
107.08582	1.9
109.02856	9.7
109.06504	0.7
109.10150	0.7
111.04420	1.9
111.08090	0.4
113.05984	90.4
115.03901	0.4
117.06966	2.4
119.08564	3.1
121.06466	0.7
121.10122	1.5
123.04391	0.3
125.01796	0.3
125.05931	0.3
127.02948	0.7
127.03888	17.6
127.07561	0.3
128.06200	0.5
129.05446	0.7
129.07013	1.1
131.08545	4.8
133.06470	0.6
133.10121	1.9
135.04367	0.3
135.08109	0.3
135.11690	0.6
137.05957	1.2
143.08580	1.2
145.04932	21.6
145.08575	12.2
145.10010	3.3
147.08026	1.1
147.11673	2.6
149.06026	0.5
149.13283	0.3
151.07590	0.4
155.08553	0.7
157.10091	2.1
159.08072	0.6
159.11658	4.2
161.05991	0.4
161.09508	0.3
161.13245	1.4
163.06004	9.4
163.07416	0.9
163.14780	0.4
167.08527	0.4
169.10114	1.3
171.08003	0.5
171.11703	1.7
173.13211	3.7
175.07553	1.6
175.11172	1.2
177.09048	0.4
179.06992	2.5
181.10159	0.5
183.11664	1.2
185.09613	0.6
185.13249	0.4
189.07535	2.4
189.09143	1.2
191.07025	0.5
195.11786	0.5
200.19365	0.4
203.07069	1.3
205.08522	0.4
209.13252	0.4
213.09224	0.5
215.10722	0.4
221.08110	0.4
227.10664	0.6
231.10153	1.7
239.09106	1.7
241.12297	0.5
243.10258	0.3
251.10350	0.3
253.12123	0.3
257.10083	5.3
258.46832	0.3
259.34464	0.3
267.15979	0.5
271.07822	0.4
275.11169	4.8
289.09213	1.9
291.17337	0.4
305.18829	0.4
323.20108	1.5
325.11224	15.3
327.66479	0.3
333.18430	0.7
351.19406	2.9
369.20593	4.2
371.22137	2.8
387.21573	100.0
388.22031	2.0
459.27377	0.4
619.77582	0.3
638.90881	0.4
782.24927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.8
67.05492	22.9
69.03415	33.6
69.07050	5.2
71.04961	5.7
73.02881	2.8
79.05467	12.1
81.03401	7.7
81.07032	17.4
83.04954	3.2
83.08608	3.7
85.02892	54.2
85.06525	3.9
87.04463	1.6
91.03959	3.1
91.05457	16.8
92.05788	0.8
93.07026	19.3
93.65370	0.8
95.04946	32.1
95.08585	14.2
97.02873	15.2
97.06497	14.5
97.10168	0.9
99.04417	3.2
101.02501	0.7
102.17943	0.7
105.06367	1.0
105.07021	22.6
106.07334	1.3
107.04884	1.2
107.08577	17.3
109.02863	6.2
109.06502	2.8
109.10154	8.8
110.10439	0.9
111.04429	1.6
113.05989	64.8
115.05428	0.9
117.06989	9.7
119.04946	0.7
119.08556	17.7
120.08947	0.9
121.06487	4.5
121.10120	12.0
123.04374	1.0
123.08082	1.2
123.11660	0.9
124.07545	1.7
125.06030	2.3
127.03871	10.2
128.06171	1.6
129.06970	8.1
131.08548	18.1
133.06477	1.2
133.10095	16.0
135.08008	1.0
135.11673	9.1
136.07558	21.0
137.06006	1.0
137.09618	1.0
138.09122	9.6
139.03931	0.9
139.07524	1.0
141.05409	0.9
141.06960	4.6
142.07719	2.6
143.08540	15.0
145.04939	11.2
145.06468	1.3
145.10112	16.7
147.08028	4.3
147.10599	1.0
147.11670	18.2
149.05939	1.3
149.13255	4.6
152.07043	5.6
154.07654	0.8
155.08530	8.8
155.17455	0.6
156.09187	0.8
157.06496	1.6
157.10104	14.3
159.08063	0.8
159.11659	18.9
160.12088	0.8
161.09575	1.2
161.13234	19.3
162.13539	0.9
163.06082	1.4
163.07497	3.2
164.07028	29.5
164.08336	1.3
165.07248	0.9
167.08542	2.9
168.09296	1.3
169.10071	8.4
171.08020	1.7
171.11653	7.2
173.13284	6.1
175.07509	14.9
175.14752	2.9
177.09106	1.6
181.10074	7.1
183.08023	1.2
183.11626	11.7
185.09595	1.1
185.13284	7.7
187.07480	1.7
187.14749	3.5
189.07645	0.9
189.09030	4.8
193.08521	3.1
193.10016	1.8
195.11681	6.2
197.09515	1.1
197.13239	7.6
199.11055	1.1
199.14839	6.5
200.15552	0.9
201.08966	1.0
201.12743	1.0
201.16382	3.1
203.10626	4.3
207.10028	1.2
207.11731	1.4
209.09633	3.8
209.13260	6.0
211.11185	3.9
211.14812	4.4
213.09100	1.3
213.16382	2.8
215.10690	3.6
215.17957	6.6
217.12267	3.5
217.15633	1.1
221.13261	1.1
223.11121	1.0
223.14684	1.5
225.12689	0.9
225.16353	1.4
227.10640	11.3
228.11087	0.8
229.12202	14.8
229.15829	1.0
231.17426	1.0
235.14835	2.8
237.12721	1.1
237.16170	0.9
239.09033	0.9
241.12204	5.1
243.13693	3.6
247.13260	3.2
249.16278	2.4
251.17848	2.8
253.19461	4.8
255.13687	7.4
257.10165	1.6
259.13168	0.9
263.17746	1.2
265.19223	0.8
267.13684	0.8
269.15280	1.3
277.19382	3.2
281.15274	3.1
289.15494	2.9
291.20953	8.2
293.22266	0.8
295.20541	1.4
309.18729	1.0
309.21991	5.3
319.20435	7.6
337.21555	76.2
338.21899	6.0
339.22256	1.6
355.22607	73.3
356.23026	7.8
357.23285	4.4
358.23535	1.2
367.17206	0.8
373.23660	100.0
374.24048	7.1
375.24347	3.5
376.24484	1.5
397.17236	0.9
415.18985	1.8
415.24728	3.4
433.20248	1.3
433.25778	18.9
515.46368	1.0
749.48956	0.8
782.07855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.41
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.6
67.05143	0.8
67.05492	20.7
69.03065	0.6
69.03416	14.5
69.07043	0.9
71.04604	0.5
71.04976	11.0
71.05363	0.4
71.21088	0.3
73.06522	0.4
75.04449	0.5
79.05473	3.3
81.07037	4.8
83.04970	3.1
83.08604	2.6
85.02871	3.6
85.06528	12.4
87.03927	0.7
87.04442	12.5
89.03891	0.7
90.90291	0.3
91.05478	2.6
92.09309	0.9
93.07011	3.5
94.40213	0.3
95.04944	26.1
95.08578	3.1
101.05971	0.5
105.07011	6.4
107.04935	0.5
107.08566	3.7
109.06500	0.4
109.10124	1.7
111.04414	0.8
113.05985	49.5
117.03355	1.7
117.06992	0.9
119.08537	2.9
121.10149	1.5
123.04376	0.7
128.06177	0.4
129.06987	0.7
131.08537	3.5
133.10103	2.0
135.04381	6.4
135.11707	0.7
137.02357	0.4
141.06973	0.5
143.08548	3.0
145.02841	6.0
145.08582	6.8
145.10115	2.4
147.11678	0.9
153.07033	0.4
155.08586	3.0
157.10080	4.2
159.11620	2.9
162.11237	0.7
163.03867	57.0
165.06981	0.6
166.07663	0.5
167.08513	1.9
168.09300	0.7
169.10109	3.2
171.08066	0.5
171.11707	0.7
172.12372	0.4
173.13142	0.4
175.07480	0.8
179.08522	1.8
180.09250	0.6
181.10097	5.7
182.10872	0.5
183.08035	0.4
183.11659	4.4
185.13264	1.5
187.14658	0.4
192.09312	0.7
193.10133	2.0
194.10899	0.8
195.08243	0.9
195.11670	4.5
196.12395	0.5
196.47615	0.3
197.09514	0.7
197.13214	2.3
199.11143	0.5
199.14755	0.4
201.09114	0.7
205.10036	0.6
206.10849	0.4
207.11638	3.7
209.09596	2.0
209.13211	2.6
211.11189	0.9
211.14767	0.5
213.09171	2.7
215.10632	0.7
217.10185	0.4
218.10858	0.5
219.11647	2.3
220.12457	0.5
221.13280	1.8
223.11162	0.9
223.14706	0.6
225.09029	3.5
225.12766	0.5
227.10652	4.4
228.80734	0.4
229.12067	0.6
231.11647	0.5
233.13213	2.5
235.11098	1.9
235.14696	1.2
237.09132	1.6
237.12738	0.6
239.10645	3.0
241.12186	2.8
247.14749	2.1
249.16335	0.6
251.10693	0.8
251.17902	1.8
253.12180	8.6
255.13673	0.8
260.15555	0.4
261.12881	0.3
261.16370	1.7
265.12234	2.0
266.12881	0.7
267.13721	3.6
275.14975	0.6
275.17725	3.7
276.18396	0.4
277.12256	0.4
279.13873	3.4
279.16660	0.5
279.20801	0.4
281.15387	1.5
289.15790	2.4
289.19403	3.1
291.20908	0.6
293.15381	3.1
293.18738	0.9
294.16156	0.5
305.15161	0.4
307.16898	6.9
307.20364	0.6
317.18768	3.9
320.17593	2.9
335.19971	34.1
339.22992	2.3
340.23544	0.5
351.19693	0.5
353.21039	100.0
354.21268	0.6
355.10159	7.4
357.24149	1.4
373.23499	0.6
375.25174	1.9
423.23062	0.8
469.23334	1.8
476.98111	0.4
497.23138	3.9
497.29224	4.5
505.24814	0.5
515.24213	1.6
543.62280	0.4
547.49640	0.5
645.30219	0.8
650.78558	0.4
651.26190	0.7
689.29211	5.0
701.29456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43596	0.2
65.03900	0.6
67.04913	0.3
67.05486	8.8
67.24705	0.3
69.03399	0.3
69.07048	2.6
77.03868	0.4
79.05467	10.2
79.15838	0.3
81.03377	0.3
81.07032	16.6
83.04936	0.6
83.08604	3.4
85.02878	2.2
91.04890	0.5
91.05453	16.1
92.09330	0.9
93.07017	16.8
95.04915	1.7
95.08016	0.5
95.08578	11.8
97.06470	1.4
97.10107	0.4
105.07004	25.5
107.04882	1.2
107.08572	19.0
109.02800	0.4
109.06453	1.7
109.09482	0.4
109.10136	8.7
111.04382	0.5
111.08022	0.3
115.05396	1.2
116.06158	1.2
117.06215	0.4
117.06986	9.0
119.04897	0.6
119.08548	18.9
121.06452	2.7
121.10117	10.4
123.04356	1.1
123.08010	1.3
123.11642	0.9
125.05981	2.1
125.09577	0.4
128.06195	2.9
129.06036	0.4
129.06964	8.5
130.07722	0.5
131.08534	18.6
133.06462	2.1
133.10098	13.1
135.08000	1.8
135.11656	9.8
137.05902	1.7
139.07472	1.2
141.05408	1.3
141.06969	4.0
142.07770	3.1
143.07379	0.6
143.08530	16.3
144.09264	1.3
145.06424	1.5
145.10094	16.6
147.04382	0.4
147.08022	4.6
147.11661	16.6
148.24055	0.3
149.05925	1.8
149.09557	1.3
149.13226	7.0
151.07460	0.4
153.05431	1.3
153.06920	1.1
154.07645	0.5
155.07246	0.4
155.08530	8.1
156.09279	1.6
157.06458	1.9
157.08818	0.5
157.10101	14.0
158.10829	0.3
159.08083	2.6
159.11655	19.9
161.05907	1.3
161.09599	2.1
161.13220	18.4
163.07497	3.5
163.14752	0.4
165.06920	1.2
166.07657	0.5
167.08519	3.7
168.09241	2.6
169.06325	0.5
169.10089	8.5
171.07979	1.7
171.10101	0.3
171.11626	8.7
173.09521	1.6
173.13202	6.6
175.07497	16.3
175.11086	0.6
175.14801	3.6
176.08217	0.5
177.09096	3.3
177.12820	0.3
179.08505	0.6
180.09239	1.1
181.08620	0.4
181.10075	7.4
182.10823	1.6
183.08025	1.0
183.11644	12.9
184.08861	0.3
184.12401	0.3
185.09584	2.9
185.13205	8.3
187.07576	2.4
187.11110	1.6
187.14781	4.1
189.09071	6.0
189.12653	0.4
189.16353	1.3
191.10628	0.6
193.08507	1.9
193.09923	2.1
194.10902	0.5
195.07954	0.7
195.11646	6.5
196.08841	0.4
196.12372	0.6
197.09511	2.0
197.13229	7.2
198.14038	0.3
199.07486	0.3
199.11194	2.4
199.14772	6.9
200.15512	0.4
201.09076	3.2
201.12672	1.6
201.16301	2.6
203.10590	3.4
203.14297	0.3
205.10202	0.4
205.12138	0.4
206.10803	0.4
207.10077	1.2
207.11659	1.8
208.12376	0.4
209.09628	3.5
209.13187	6.5
211.11162	5.4
211.14735	4.9
213.09062	3.7
213.12675	2.1
213.16299	3.3
214.17201	0.6
215.10635	2.8
215.14267	0.4
215.17900	6.3
217.12206	2.6
217.15782	1.3
219.11691	0.6
221.11652	0.2
221.13292	2.8
223.11121	1.7
223.14717	2.2
225.09071	0.6
225.12646	1.5
225.16347	2.0
227.08450	0.6
227.10620	14.3
227.14278	1.5
227.17914	0.3
228.10997	0.3
229.12175	14.3
229.15694	0.7
231.13768	1.4
231.17366	1.3
232.18195	0.4
233.18983	0.4
235.14824	4.5
237.12599	1.3
237.16374	1.5
239.10570	0.4
239.14220	0.6
239.17877	1.2
241.12166	7.4
243.13728	5.1
245.11551	0.3
247.13237	1.2
248.15561	0.3
249.16292	2.8
250.17073	0.3
251.14273	0.4
251.17773	2.6
252.18571	0.3
253.12245	0.5
253.16005	0.4
253.16571	0.4
253.19391	5.7
255.13721	7.3
257.15271	1.0
259.13159	0.3
262.17133	0.4
263.14325	0.7
263.17938	1.8
265.19418	0.6
267.13669	1.1
267.17343	0.5
267.20996	0.4
269.15323	1.7
271.17029	0.3
271.20288	0.5
273.14777	0.4
275.17862	0.4
277.15872	1.0
277.19424	5.0
279.20901	0.3
281.15302	3.3
281.22638	0.6
283.16626	0.3
291.17651	0.7
291.20938	7.7
292.21436	0.4
293.22610	1.7
295.16815	1.9
295.20380	1.2
301.19391	1.4
307.20465	0.5
309.18402	1.0
309.21982	5.3
319.20490	8.8
324.11963	0.3
327.23154	0.6
337.21536	81.2
338.21814	2.3
355.22586	100.0
356.23019	3.0
373.23636	98.6
374.24057	2.8
397.23846	1.1
415.24811	1.4
433.25726	8.6
434.25992	0.3
572.71564	0.3
605.72876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57864	1.1
69.03405	1.5
69.07903	1.1
79.36533	1.2
82.43832	1.1
85.02883	1.5
92.09128	6.3
120.25923	1.3
152.23283	1.0
172.40298	1.2
216.33739	1.3
233.67628	1.2
251.11053	1.5
416.05261	1.2
509.17899	2.1
566.09668	1.5
826.88062	1.8
863.40131	100.0
864.40533	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	865.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.0
67.05491	13.9
68.05819	0.6
69.03415	4.9
69.07047	2.2
71.04971	5.8
74.05093	0.4
79.05468	13.2
81.07035	14.0
83.04966	0.9
83.08595	2.6
85.02882	1.1
85.06532	7.5
87.04475	1.0
91.05454	16.8
93.06482	0.9
93.07021	15.6
95.04937	10.0
95.08585	10.8
97.06521	2.1
105.07015	21.3
107.04922	1.1
107.08582	24.5
109.06456	1.7
109.10134	5.4
111.04363	0.8
111.08078	0.8
113.05986	26.5
114.06316	3.1
117.06995	6.8
119.04913	0.6
119.08560	17.3
121.06487	3.6
121.10133	8.5
123.04414	1.2
125.05969	1.0
127.03934	0.6
128.06198	0.9
129.06981	8.3
130.07765	0.8
131.07597	0.8
131.08531	17.6
133.06497	1.1
133.10106	13.1
134.54973	0.6
135.08022	2.2
135.11661	5.4
137.05966	2.3
137.09660	0.6
139.03871	0.6
139.07504	2.2
141.05411	2.3
141.06966	3.5
142.07771	1.2
143.08546	13.1
144.09253	2.2
145.06480	1.0
145.08627	5.8
145.10112	17.5
146.10568	0.8
147.08044	3.4
147.11656	11.9
149.05937	1.2
149.09599	0.9
149.13254	2.8
153.05496	1.1
153.06834	0.6
155.08521	9.2
156.09296	1.0
157.06499	1.2
157.10095	13.2
159.07986	1.1
159.11652	14.3
161.05949	1.2
161.09572	1.3
161.13228	9.0
163.07516	3.3
163.11159	2.1
167.07082	0.6
167.08507	3.0
168.09242	2.0
169.10100	7.1
170.10759	0.7
171.07997	2.3
171.11664	6.9
173.09586	3.4
173.13242	4.5
175.07518	11.3
175.14810	1.1
176.08153	0.6
177.09067	2.1
179.08548	1.0
181.10106	4.3
182.10884	2.4
183.08063	1.0
183.11662	11.6
184.12100	0.5
185.09624	0.6
185.13219	7.5
187.07507	2.9
187.11105	0.7
187.14838	4.4
189.09029	5.6
191.10626	0.8
193.08553	0.8
193.10104	3.0
194.10832	0.6
195.11681	6.4
196.12383	0.5
197.09674	1.9
197.13226	9.6
199.11131	2.7
199.14815	5.6
201.09068	2.2
201.12711	2.1
201.16328	1.1
203.10651	2.9
207.11742	2.1
209.09618	0.9
209.13199	4.2
211.11346	3.7
211.14787	3.5
213.12701	1.1
213.16376	3.4
215.10699	2.3
215.14339	0.6
215.17880	4.4
217.12250	3.1
217.15814	0.8
221.13187	2.3
223.14772	3.0
225.12752	4.8
225.16324	0.8
227.10640	2.9
227.17839	0.6
229.12186	11.2
231.13733	4.1
233.18929	0.9
235.14810	3.3
237.12729	1.1
237.16322	0.9
241.12195	6.6
243.13751	13.9
249.16272	2.0
251.14326	0.6
251.17876	1.2
253.19464	1.2
255.13760	5.1
261.14798	2.9
263.17896	0.8
271.20667	0.6
277.19379	2.7
281.15274	1.2
291.02740	0.6
291.20944	7.5
295.20392	0.7
301.19376	0.8
309.18564	1.1
309.22058	2.9
310.18823	0.7
319.20523	6.6
327.19482	4.5
327.23126	1.8
328.19861	4.3
329.20154	2.4
337.21530	37.5
338.21854	2.2
355.22592	100.0
356.23062	3.5
373.23648	96.1
374.23990	4.6
391.25018	0.7
398.77301	0.6
433.25653	7.4
434.26132	1.0
517.31726	1.0
530.05212	0.6
557.30334	3.1
558.30847	2.3
559.32123	3.0
560.32410	0.6
599.31665	11.4
600.32025	6.7
601.31885	1.1
614.54846	0.6
844.32819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.1
69.03426	0.7
70.44097	0.3
71.04992	0.4
74.35882	0.3
76.55848	0.3
85.02892	4.4
85.06551	0.4
86.03226	1.5
91.05505	0.3
95.04958	1.8
96.05282	0.3
97.02900	0.6
104.26419	0.3
109.02880	0.4
113.05989	3.1
114.06349	1.4
119.86173	0.3
165.72855	0.3
174.15686	0.3
189.74405	0.3
347.09485	1.9
374.23996	0.4
375.24506	0.5
491.17514	0.6
509.18576	1.9
541.13495	0.4
701.35065	2.3
863.40179	100.0
864.40283	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	863.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.3
67.05490	8.4
67.11599	0.7
68.05811	0.8
69.03420	22.2
69.07093	0.6
70.03770	3.4
71.04985	3.5
73.02915	0.7
76.35453	0.6
79.05489	1.1
81.03416	2.6
81.07063	2.9
83.04987	1.1
85.02892	30.7
85.06538	1.4
86.03231	4.8
87.03331	0.7
87.04454	1.0
91.03947	1.3
91.05479	0.7
92.08949	1.0
93.07048	1.4
95.04945	17.0
95.08590	1.5
96.05291	5.5
97.02868	7.3
97.06503	2.4
98.03226	3.1
99.04472	2.4
105.07036	2.9
107.08629	1.2
108.91663	0.7
109.02901	1.6
113.05995	24.4
113.06739	0.9
114.06326	6.8
115.06490	1.2
119.08594	1.0
121.10172	1.1
127.03898	5.6
128.04305	0.8
131.08624	1.1
133.02853	0.9
133.10120	0.9
145.02885	1.5
145.04932	6.8
145.08662	1.4
146.05321	1.1
146.08951	0.7
147.05556	0.9
149.06055	1.0
163.06035	2.7
170.55386	0.6
177.05530	4.0
189.07645	0.7
191.07191	0.7
210.15424	0.7
237.02924	0.9
241.09441	0.7
325.11343	1.4
339.23285	1.0
340.23480	1.5
341.23914	0.7
347.09637	0.7
354.03104	0.7
375.25049	2.5
376.25702	3.1
377.26154	2.5
444.18124	0.7
491.17386	0.9
509.17966	1.0
701.35223	2.5
707.14355	0.9
863.40271	100.0
864.40460	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	861.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	6.5
67.05486	6.0
69.03415	3.1
69.07049	1.6
71.04988	1.2
73.02910	5.0
79.05489	5.4
81.07038	6.7
83.04953	0.8
85.02890	5.9
91.03949	1.4
91.05476	1.5
93.07027	5.0
95.08594	3.1
97.02883	5.4
99.04456	1.2
101.02389	1.6
105.07040	1.8
107.08585	2.8
107.40835	0.8
109.10172	1.1
111.19172	0.8
119.08524	1.2
121.10144	1.1
131.17847	0.9
135.11711	1.0
150.32524	0.7
185.04253	1.4
211.96867	0.9
243.08430	3.8
286.05359	0.8
365.23053	4.9
417.67197	0.9
470.94739	0.9
519.28882	6.0
583.30792	6.6
683.17505	1.0
861.53162	100.0
862.53210	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	862.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	5.5
65.03918	0.3
67.05479	3.3
69.03130	0.5
69.03416	13.4
69.07049	0.7
70.40515	0.3
71.01330	0.7
71.04977	28.3
71.78893	0.3
73.02903	5.3
75.04465	6.0
75.62148	0.3
79.05467	3.7
81.03403	5.7
81.07034	4.6
83.01312	0.4
83.04967	45.3
83.08609	1.5
84.38400	0.4
85.02891	100.0
86.03235	0.6
87.04468	3.0
91.03938	2.1
91.05463	2.2
92.08786	2.0
93.07028	4.6
95.04971	2.0
95.08582	3.7
97.02869	20.9
97.06522	0.4
99.04430	4.4
100.79341	0.4
101.02390	0.3
101.06009	0.6
103.03931	1.4
105.07027	3.7
107.08580	5.2
109.02879	5.7
109.06509	0.6
109.10141	2.4
111.04427	20.7
113.05978	0.5
115.03906	0.6
117.07024	1.6
119.04945	0.5
119.08546	4.2
120.01146	0.3
121.06485	0.8
121.10120	3.3
123.04373	0.6
123.08035	0.4
123.10519	0.3
123.11691	0.7
125.02336	0.4
125.05974	1.5
125.39938	0.3
127.03891	13.7
129.05453	20.9
131.08557	2.3
133.06537	0.4
133.10094	3.4
135.11673	5.5
137.05974	1.5
137.09622	0.6
141.06956	0.4
143.08531	1.9
145.02940	0.6
145.04939	13.0
145.06152	0.6
145.10117	3.3
147.04384	1.6
147.06497	7.2
147.11694	2.2
149.05946	0.5
149.13280	1.4
151.07619	0.5
153.05502	0.4
157.10112	1.7
159.11700	3.0
161.06052	0.4
161.09479	0.4
161.13249	2.9
163.03900	0.7
163.06003	4.6
163.07254	0.6
163.14954	0.5
165.07591	0.4
165.09018	0.4
167.06992	0.7
171.06577	0.5
171.11671	1.5
173.13277	0.7
175.14810	0.8
177.05476	1.9
177.09027	1.3
177.12630	0.4
183.11710	1.4
185.13283	2.3
187.14818	2.6
195.06419	0.5
195.11632	0.5
197.13228	0.5
199.14760	0.8
201.16402	0.8
205.12193	0.5
209.13263	0.5
211.14845	0.7
215.17943	0.5
217.12209	0.7
225.12793	0.4
229.12215	0.5
231.13799	1.9
237.07500	2.6
255.08662	5.2
256.65100	0.4
257.15451	1.8
273.09647	8.9
279.21130	1.4
293.22586	3.1
305.24783	0.8
309.11685	5.5
311.23901	0.5
321.22040	3.5
323.25891	0.8
325.11392	1.5
339.23154	23.0
341.50336	0.4
357.24182	9.6
373.23630	0.8
374.23764	0.5
375.25238	18.5
467.28342	0.5
485.29291	0.6
521.31006	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	858.5389
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.1
67.05148	3.3
67.05492	96.9
69.03403	3.0
69.07051	31.5
71.04978	3.1
71.08611	3.2
73.02888	2.7
79.05473	57.4
81.03426	3.0
81.07034	100.0
83.08603	16.2
85.02873	2.6
89.06009	2.3
91.05447	31.9
93.07026	56.9
95.04965	4.4
95.08582	74.6
97.02811	2.5
97.06478	2.4
97.10142	5.0
99.04458	2.2
99.08015	2.2
105.07007	24.6
107.08571	33.5
109.02849	9.1
109.10152	25.3
111.04443	2.9
111.08071	2.7
117.06977	8.4
119.08562	18.8
121.10098	23.8
123.11710	3.7
123.22662	2.2
126.92995	2.2
127.03871	4.7
131.08530	12.2
133.10130	16.3
135.11668	16.2
137.13216	4.3
145.10097	8.6
147.11691	9.9
149.13235	4.9
159.11609	4.1
161.13228	4.1
173.13275	2.1
221.78574	2.2
243.21062	3.6
259.20633	3.6
261.22244	16.9
263.23599	5.0
335.25711	46.5
337.27255	49.2
561.26837	14.1
563.28503	9.3
597.48914	26.7
615.49554	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	9.1
61.54434	0.4
65.03927	1.0
67.05137	0.9
67.05490	23.1
68.33036	0.4
69.03415	33.5
69.07048	0.9
69.40912	0.3
71.04974	14.4
73.02897	4.8
75.71352	0.4
79.05478	3.8
81.03394	8.5
81.07040	5.0
83.01324	0.6
83.04965	4.5
83.08589	0.5
85.02889	100.0
85.06523	12.9
85.07009	0.7
87.04462	7.3
91.03934	4.4
91.05470	1.8
92.09341	1.0
92.63287	0.5
93.07029	4.3
95.04948	56.1
95.08575	4.2
97.02869	29.7
97.06511	7.8
99.04435	4.3
101.02324	0.5
101.05984	0.6
103.03915	0.9
105.07022	3.5
107.04919	0.9
107.08565	4.4
109.02864	9.8
109.06529	1.5
109.10130	2.5
111.04404	3.5
113.05989	99.1
114.06411	0.5
117.07001	0.9
119.08545	3.7
121.06477	0.9
121.10123	3.5
123.04414	0.7
125.05960	0.9
127.03895	21.9
129.05396	0.6
129.07013	0.5
131.08553	2.6
133.06520	0.6
133.10129	2.6
135.08040	0.7
135.11685	3.5
137.05946	1.0
143.08533	1.0
145.04936	25.6
145.08578	15.9
145.10077	3.3
147.11679	1.1
149.05966	0.9
149.13258	0.9
151.07481	0.5
151.43167	0.5
153.05377	0.4
155.08449	0.6
157.10065	0.8
159.11684	3.0
161.13261	2.7
163.03893	0.5
163.06024	8.2
163.07387	1.0
165.09079	0.7
171.11711	0.9
173.09628	0.4
173.13268	0.5
177.05432	0.9
179.07039	0.8
183.11646	0.7
185.13228	2.2
187.14723	1.0
189.07593	3.4
189.09061	0.6
197.13223	0.7
199.14726	1.0
201.16304	0.9
211.14781	1.6
213.12851	0.5
213.16418	1.5
217.12231	0.5
221.08122	0.5
223.14725	0.6
223.68567	0.4
231.13736	1.0
239.09093	2.5
239.14204	0.5
243.13802	0.4
257.10178	6.0
257.15427	1.8
271.08252	0.6
275.11203	3.7
279.20963	0.4
280.11221	0.5
283.16998	0.5
289.09183	1.6
293.22522	2.7
308.77988	0.5
311.23636	0.5
321.22012	3.5
325.11227	14.7
325.14612	0.6
339.23132	21.7
357.24173	19.9
375.25208	25.9
758.88245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	8.6
62.20848	0.6
65.03942	0.5
67.05141	0.8
67.05489	18.7
69.03413	50.9
69.07040	1.0
71.04973	11.6
73.02881	4.5
73.06524	0.6
79.05479	4.0
81.03408	9.1
81.07026	3.2
83.01312	0.6
83.04971	3.8
83.08610	0.6
85.02887	100.0
85.06516	6.9
86.03209	1.1
87.04465	4.4
91.03939	4.7
91.05436	1.1
92.08611	0.9
93.07020	2.3
93.23236	0.6
95.04944	51.4
95.08588	3.0
96.05271	0.8
97.02865	26.9
97.06509	16.1
99.04422	5.5
100.40369	0.5
101.05992	0.6
103.03909	1.0
105.07005	3.0
107.08552	1.0
109.02854	9.6
109.06522	0.8
109.10135	1.0
111.04395	2.6
113.05984	81.2
114.06312	0.9
115.03868	0.7
119.08561	1.1
121.10118	1.2
123.08047	0.8
123.11668	0.5
125.55704	0.5
127.03893	22.7
129.60683	0.5
131.04907	0.5
131.08511	0.9
133.06456	1.0
133.10085	0.9
135.11711	0.7
137.05917	3.0
137.09572	1.0
145.02846	1.2
145.04932	27.6
145.08591	8.1
149.05981	0.8
159.11586	0.7
163.05989	10.0
167.06973	2.1
175.07494	0.9
177.05376	4.1
177.09042	0.5
177.16348	0.6
179.06990	4.4
187.07504	3.0
189.07477	4.4
195.06380	0.7
239.09117	2.5
251.18416	0.6
252.65102	0.6
255.13440	0.5
257.10092	6.3
275.11252	4.1
289.09210	1.1
325.11227	17.4
337.21439	0.9
355.22543	3.0
373.23599	9.4
454.62152	0.6
480.12939	0.6
526.40924	0.6
596.89337	0.7
655.16144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	9.4
64.01591	0.3
65.03929	2.2
67.05488	28.5
68.45921	0.3
69.03411	39.2
69.07040	2.0
71.01331	0.5
71.04971	15.5
73.02894	3.2
79.05467	11.6
81.03400	8.5
81.07028	6.9
83.01320	0.5
83.04960	4.0
83.08592	5.5
85.02885	97.3
85.06526	11.8
86.03194	0.3
87.04440	8.3
91.03940	4.3
91.05462	3.3
93.07016	6.9
95.04942	77.2
95.08578	4.4
97.02866	28.3
97.06508	8.4
97.10126	0.4
99.04445	4.2
101.02359	0.4
101.06007	1.5
103.03923	0.7
105.07006	6.3
107.04936	3.0
107.08574	5.5
109.02850	8.6
109.06468	1.8
109.10132	5.0
111.04419	2.5
113.05982	100.0
115.03903	1.3
117.06998	1.7
119.04874	0.5
119.08543	9.4
121.06474	3.6
121.10107	4.3
123.04384	0.8
123.11668	0.5
125.06013	2.6
127.03887	23.6
127.07531	0.7
129.06990	1.5
131.08525	5.1
133.06422	0.4
133.10107	5.5
134.13484	0.4
135.04405	1.5
135.08046	0.4
135.11662	5.1
135.67209	0.3
137.05980	1.2
142.07765	0.6
143.08549	5.5
145.04935	28.2
145.08577	17.9
145.10097	8.6
147.11661	5.7
149.05954	0.8
149.13208	4.5
151.07545	0.6
152.41594	0.4
153.05489	2.4
155.08542	2.7
157.10086	5.9
157.76762	0.3
159.11647	9.1
161.05980	0.4
161.13245	4.6
163.05977	8.3
163.14801	0.7
164.10625	0.4
167.07022	9.7
167.08409	0.8
169.10110	3.4
171.11621	4.3
173.09508	0.4
173.13202	3.1
175.07455	0.4
175.11143	0.3
175.14825	0.5
177.48186	0.3
179.07019	2.6
181.10118	2.0
183.11635	3.7
185.09618	0.6
185.13219	8.3
187.14722	0.5
189.07503	3.5
189.08990	0.4
193.08553	2.1
193.10123	0.6
195.11670	1.9
197.13229	1.5
199.11116	0.8
199.14781	3.3
201.16389	0.6
203.10704	0.5
203.18022	0.4
207.11656	0.7
209.09596	0.6
209.13271	3.4
209.22156	0.4
211.09521	0.3
211.14790	1.8
213.16348	1.5
217.12062	0.3
219.10031	0.7
221.08014	0.5
223.14766	1.8
225.12785	0.5
225.16295	3.6
227.10634	6.4
227.17897	14.3
228.18250	0.3
229.12289	1.3
229.19449	6.3
233.13223	0.5
235.14838	0.4
237.12659	0.7
239.09102	2.0
241.12238	1.7
243.13742	1.5
245.11710	0.5
247.13170	0.4
251.14044	0.4
253.19482	0.4
255.13774	3.0
257.10120	5.6
259.13135	1.2
260.82068	0.4
261.14835	1.3
269.15167	1.4
271.08109	0.5
273.14777	2.0
275.11157	4.3
277.19418	1.5
279.51706	0.4
281.15277	0.7
287.16299	2.5
289.09015	1.7
291.20883	0.6
295.16864	0.7
309.18433	0.5
319.20563	1.4
325.11203	16.9
337.21548	7.3
343.90015	0.4
355.22586	97.2
356.22940	1.7
371.21964	2.8
373.23639	41.3
374.23795	0.4
535.29694	0.3
574.91858	0.3
592.15778	0.4
681.85400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	8.8
65.03927	1.1
67.05133	1.0
67.05492	24.3
68.60135	0.5
69.03415	63.9
69.07056	1.2
71.01309	0.4
71.04974	9.5
73.02893	3.2
73.06548	0.5
76.95295	0.5
79.05473	3.8
79.92559	0.5
79.97776	0.4
81.03400	10.2
81.07042	2.9
83.04956	3.8
83.08607	0.5
85.02889	96.3
85.06516	6.5
87.04454	6.0
91.03944	4.0
91.05472	1.2
92.08641	1.1
93.07034	2.4
95.04946	61.2
95.08585	2.3
96.05308	0.5
97.02257	1.0
97.02872	24.5
97.06506	13.3
99.04438	5.7
103.03962	0.6
105.07002	2.7
107.08580	2.3
109.02860	8.4
109.06499	3.0
109.10149	2.0
111.04458	2.6
113.05988	100.0
117.11099	0.5
119.08553	2.3
121.06487	0.9
121.10094	1.2
125.05991	2.0
127.03893	20.5
127.07579	2.4
129.05434	0.7
131.08549	0.9
133.06436	0.6
133.10123	1.1
135.04335	0.7
137.05946	2.1
143.08511	0.7
145.04939	25.7
145.08583	9.9
145.10086	0.9
147.08044	0.7
147.11641	0.7
149.05962	1.2
153.05478	3.1
155.07063	1.1
159.11653	1.8
163.06000	8.7
167.06958	0.6
175.07564	0.5
175.14807	1.2
177.05489	0.8
179.06981	0.6
183.11798	0.5
189.07587	4.7
201.16327	1.0
213.07466	0.6
231.08646	0.7
239.09102	2.7
257.10120	6.3
275.11111	3.8
289.09293	1.0
292.20782	0.5
325.11224	13.4
337.21521	3.0
338.21613	0.6
355.22534	7.1
373.23703	20.1
432.95306	0.5
438.50116	0.6
517.31824	5.0
563.28137	0.6
714.29669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65484	0.7
61.02913	7.9
64.31930	0.8
65.03904	1.1
66.12276	0.6
67.05493	24.8
69.03416	69.8
69.07055	1.8
70.08794	0.6
71.04977	9.6
73.02904	4.3
73.06549	1.2
79.05479	1.6
81.03390	7.7
81.07036	2.9
83.04964	4.3
85.02890	98.6
85.06528	7.6
87.04462	4.8
91.03931	5.1
91.05469	1.7
92.09290	1.4
93.07002	2.9
95.04948	60.4
95.08620	2.8
97.02874	27.3
97.06514	10.6
98.97577	0.7
99.04430	5.1
103.03896	0.8
105.07005	1.4
106.37994	0.7
107.04912	0.8
107.08567	3.2
109.02882	11.4
109.06515	3.3
111.04430	3.6
113.05990	100.0
115.03913	0.9
119.08584	0.8
121.02900	0.8
121.06463	0.7
121.10108	0.8
125.06040	0.7
127.03896	23.3
127.07549	1.2
127.70502	0.8
131.08557	1.3
133.10078	1.6
135.04405	0.9
135.11696	1.5
137.05989	1.3
137.13139	0.7
145.04938	32.8
145.08615	8.1
145.10043	1.3
147.11652	1.4
157.10120	1.0
159.11655	1.2
163.05998	9.1
173.13113	0.8
175.14825	1.4
175.65921	0.8
179.06895	0.8
189.07526	4.4
211.09579	0.7
237.02760	1.3
239.09041	0.9
257.10184	5.8
275.11292	1.4
289.09088	0.7
293.22021	0.8
325.11185	12.2
355.22565	3.4
373.23593	10.9
389.23111	1.0
390.23883	0.9
555.29272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02592	0.3
61.02911	8.6
64.33471	0.2
65.03925	1.4
67.05488	23.2
68.00734	0.2
69.03411	67.3
69.06714	0.2
69.07031	1.6
71.01343	0.5
71.04970	7.8
73.02899	4.4
73.06528	0.5
79.05470	3.3
81.03400	7.9
81.07040	1.6
81.36074	0.2
83.01324	1.0
83.04966	4.4
83.08596	0.4
85.02885	100.0
85.06529	4.8
86.08875	0.2
87.04443	3.7
91.03925	4.7
91.05467	0.9
93.07036	0.9
95.04941	61.2
95.08601	1.0
97.02863	28.2
97.06503	10.9
99.04424	4.8
101.02385	0.8
101.05992	0.5
102.41192	0.3
103.03909	1.6
105.07027	1.0
107.04943	0.9
107.08588	0.3
109.02854	9.3
109.06487	1.2
111.04429	3.2
113.05981	99.1
114.06292	0.3
115.03900	1.1
119.08570	0.9
121.06480	1.0
121.10106	0.6
123.04378	0.9
123.18678	0.2
125.05888	0.4
125.15147	0.3
127.03885	22.7
127.07534	1.3
129.05478	0.5
131.08539	0.3
133.06448	0.9
133.10080	0.4
135.04396	0.5
135.11649	0.3
137.05928	1.5
145.04935	29.3
145.08569	4.5
147.08125	0.4
147.11691	0.3
149.05995	1.5
151.07530	0.9
159.11685	0.5
161.05988	0.3
161.13309	0.4
163.05977	12.5
167.06932	0.3
175.07538	1.1
175.14703	0.3
177.05533	0.2
177.16342	0.5
179.06976	2.1
185.13300	0.3
189.07529	5.6
189.08978	0.4
191.07027	0.3
213.07523	0.9
231.08534	0.5
239.09090	3.5
240.41064	0.2
257.10162	7.1
271.07971	0.4
275.11206	3.7
282.06171	0.3
289.09085	1.3
319.47314	0.2
325.11218	16.1
337.21542	2.5
355.22644	4.4
373.23615	15.8
412.96210	0.2
450.14224	0.3
547.67731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	11.7
63.68491	0.4
65.03930	1.9
67.05495	22.1
69.03416	35.7
69.07043	0.6
71.04976	15.7
71.22125	0.5
71.39633	0.6
73.02888	4.1
76.56364	0.5
78.30571	0.5
79.05478	3.3
81.03398	9.3
81.07040	2.6
81.45074	0.5
83.01321	0.9
83.04971	3.1
85.02890	100.0
85.06532	14.6
87.04465	6.8
91.03957	3.9
91.05465	0.9
93.07011	2.4
95.04947	51.9
97.02872	33.9
97.06518	7.5
99.04436	5.8
101.05980	0.9
103.03931	0.9
105.07037	2.3
107.04958	0.7
107.08563	1.0
109.02871	9.5
111.04418	5.4
113.05989	96.2
115.03922	1.2
119.08567	0.8
125.06026	0.8
127.03891	22.1
127.04803	0.9
131.08482	1.1
133.10103	1.3
137.05988	0.6
145.04945	27.4
145.06079	1.1
145.08574	17.7
145.10129	1.1
157.10046	0.7
159.11729	0.9
163.05983	10.5
175.14859	0.9
179.07016	1.0
189.07622	3.1
213.07553	0.7
231.08603	0.6
239.09033	1.1
257.10071	7.1
271.08090	0.6
275.11069	4.0
282.85437	0.5
289.09299	1.0
325.11234	14.6
325.14581	0.5
355.22809	2.9
373.23654	48.5
572.40436	0.6
621.75989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	10.0
67.05494	24.3
69.03418	37.1
70.29755	0.9
71.04981	15.7
73.02898	2.3
79.05479	4.1
81.03411	7.5
81.07037	4.7
83.04945	3.9
85.02892	83.1
85.06533	14.0
86.84528	1.0
87.04459	6.0
91.03927	4.7
91.05457	2.1
93.07011	3.9
95.04955	50.5
97.02878	24.6
97.06506	7.7
99.04443	4.7
105.07034	3.7
107.08595	4.0
109.02866	9.9
109.06516	1.9
109.10132	1.0
111.04464	1.1
113.05993	100.0
114.11469	0.9
115.03926	0.9
119.08574	1.4
121.10138	1.9
125.05975	6.3
127.03918	16.8
131.08562	1.7
133.10092	1.5
137.05939	1.2
141.41444	0.9
143.08603	1.7
145.04944	21.7
145.08592	9.4
145.10097	3.9
147.11671	4.1
153.05499	7.7
155.07018	4.6
159.11688	6.1
163.06068	7.6
171.11670	1.8
175.14812	2.0
183.11638	1.7
183.87971	1.0
187.14822	1.0
189.07536	2.0
193.29758	0.9
201.16382	4.6
255.13591	1.1
257.10159	4.0
266.94193	1.0
275.11145	4.2
277.19553	1.4
291.21082	1.1
319.20609	1.2
325.11154	10.1
335.71951	1.0
337.21585	8.4
355.22690	16.8
373.23685	71.3
374.24124	1.5
517.31586	12.6
635.53241	1.2
652.40784	1.2
687.15533	1.1
756.84442	1.0
862.91760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09528	2.0
65.03909	3.6
65.08028	1.9
67.05137	4.2
67.05489	100.0
67.05846	3.6
68.56734	1.7
68.67545	2.1
68.92474	2.0
69.03399	3.3
69.07055	20.9
71.04972	2.7
71.90604	1.9
73.02903	2.8
73.90857	1.8
79.05469	71.7
81.03417	2.7
81.07034	96.4
81.09146	1.8
83.08592	10.7
85.02908	2.8
91.03608	1.9
91.05458	46.1
93.07018	80.2
93.07972	2.3
95.04945	8.4
95.08002	3.6
95.08581	73.1
99.04449	2.4
105.07009	37.1
107.08567	46.4
109.02834	3.5
109.10143	28.4
116.39235	2.3
117.06990	15.3
119.08553	28.7
121.10114	32.4
123.11690	12.2
130.82936	2.9
131.08527	28.8
133.10052	15.6
135.11646	25.6
137.13300	2.4
143.08569	3.3
145.10121	13.0
147.11649	12.0
149.13255	10.4
150.96222	2.2
159.11676	11.4
161.13237	13.1
171.11711	2.5
173.13223	9.4
187.14833	3.0
243.21077	3.5
259.20416	3.6
261.22012	25.0
313.87863	2.2
333.24115	3.9
335.25745	87.5
335.57144	2.9
337.27332	10.5
417.34448	2.4
561.27142	20.7
595.46930	19.5
613.48108	12.8
697.59460	2.5
812.28613	2.7
857.22644	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	856.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36358	1.8
63.11389	1.5
67.05142	3.7
67.05496	100.0
69.03419	8.2
69.07056	27.1
71.04971	11.7
78.84213	1.6
79.05474	65.8
81.03408	7.3
81.07041	99.5
83.04955	7.5
83.08617	15.0
85.02905	1.9
85.06516	2.2
91.05457	46.0
92.09405	4.3
93.07025	83.1
95.04936	12.4
95.08588	51.4
97.02846	3.1
97.06501	7.8
97.10149	7.4
105.07028	35.6
107.08585	39.9
109.06477	3.4
109.10146	30.7
111.08075	4.0
117.07022	13.9
119.08577	30.0
121.06485	2.6
121.10140	26.3
123.11676	6.8
129.07008	7.3
131.08524	23.3
133.10107	20.2
135.08011	2.7
135.11679	14.0
137.09593	2.7
143.08574	2.6
145.10048	14.4
147.11658	12.1
149.09607	3.4
149.13232	9.6
156.16608	1.9
157.10149	7.6
159.11678	10.5
161.13213	4.4
163.11217	2.5
169.10129	1.9
173.11775	3.4
173.13251	7.2
185.13199	2.5
187.14792	2.3
229.12350	1.9
229.14343	11.8
261.22098	3.7
269.17484	9.8
275.20044	9.2
298.01569	1.8
302.42407	1.9
326.61465	2.2
335.25812	47.9
349.23639	14.1
413.21524	2.8
453.24649	2.2
485.80673	1.9
489.35513	10.5
529.38879	42.5
569.41815	40.5
609.45013	23.9
627.46185	2.4
641.47113	3.6
713.45776	2.5
853.97467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	87.0
67.05489	73.2
69.03419	9.3
69.07054	12.4
71.04985	3.0
71.08601	1.1
71.16637	0.9
73.02895	31.9
75.04424	1.1
79.04991	1.1
79.05467	45.9
81.03410	5.2
81.07034	90.9
83.08588	8.8
85.02885	100.0
85.06538	1.3
91.03930	89.3
91.05455	24.5
92.09357	1.6
93.07021	62.5
95.04944	4.3
95.08582	63.0
97.02258	1.9
97.02866	48.2
97.06485	1.5
97.10139	1.9
99.04421	6.2
99.08087	1.1
101.02361	1.1
103.03970	1.4
105.07011	19.4
107.08572	39.3
109.02873	3.6
109.10132	32.6
111.08034	1.1
115.03912	4.5
117.05438	0.9
117.06995	10.3
118.94996	0.9
119.08552	19.8
119.18166	0.8
121.10126	36.5
123.11677	14.1
127.03873	23.5
131.08543	22.5
133.10094	15.3
135.11650	28.2
137.13231	5.6
139.11168	1.7
145.04939	35.2
145.10114	15.4
147.11676	11.7
149.13228	20.3
151.11105	1.1
159.11653	12.2
161.13202	11.5
162.41434	0.9
163.05978	50.1
163.14757	12.0
165.12663	1.3
166.50046	1.0
173.13261	12.9
175.14787	1.9
177.12788	1.0
177.16347	3.9
179.14278	1.7
184.06712	1.1
187.14713	7.2
201.16373	4.0
233.22681	3.7
243.21021	27.1
261.22070	80.3
263.23709	1.3
279.23157	3.6
325.11188	6.8
335.25732	26.0
343.41071	1.3
353.26770	74.5
385.18317	1.0
390.66873	1.0
398.47360	1.0
462.40826	0.9
477.17059	0.9
479.30057	1.1
497.30768	10.5
590.04724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	80.1
65.03901	1.2
67.05489	76.5
69.03413	12.4
69.06773	0.8
69.07061	12.4
69.64285	0.9
70.04582	0.8
71.04967	2.1
71.08598	1.1
73.02899	32.3
76.79905	0.9
79.05471	49.4
81.03382	4.4
81.07037	91.0
83.04972	2.2
83.08611	8.6
83.57131	0.9
85.02885	100.0
85.06533	1.8
87.04443	1.7
91.03933	82.1
91.05453	23.5
93.07018	67.0
95.04929	3.8
95.08585	76.2
97.02870	46.8
97.06493	2.1
97.10149	4.6
99.04431	8.3
99.08066	1.3
101.02364	1.6
103.03858	1.6
105.07023	17.0
107.08569	44.2
109.02850	4.6
109.06506	1.1
109.10138	39.9
110.27444	0.8
113.05963	1.5
114.36488	0.9
115.03906	4.3
117.06973	9.8
119.08555	21.0
121.10117	36.6
123.08059	1.2
123.11680	14.4
125.09560	1.1
127.03884	23.9
131.08540	23.7
133.05060	0.9
133.10095	12.8
135.11667	33.8
137.13185	7.1
139.11113	1.8
145.04929	30.9
145.10077	18.7
147.11676	12.8
149.13246	22.3
151.14848	1.7
159.11670	16.1
161.13194	10.5
162.21010	0.9
163.05974	48.6
163.14787	10.7
165.12762	1.5
173.13229	13.7
175.14742	2.1
177.16350	6.1
179.14247	1.2
187.14807	10.2
201.16330	3.5
233.22632	1.0
243.21019	27.7
261.22076	76.1
263.23489	1.6
279.23056	4.3
325.11249	5.3
335.25723	30.1
353.26801	75.3
479.30243	1.2
497.31314	11.6
558.66003	1.1
600.22485	1.1
687.43268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	9.2
65.03919	1.9
65.63169	0.5
66.86428	0.4
67.05489	23.0
69.03413	71.6
69.07063	0.9
71.04976	10.3
73.02906	5.2
77.54282	0.5
79.05471	3.8
81.03394	6.9
81.07052	2.2
81.50089	0.4
83.01305	0.5
83.04971	4.1
85.02885	97.5
85.06524	5.6
87.04446	6.8
91.03943	5.2
91.05465	1.8
92.64147	0.5
93.07035	0.9
95.04944	61.9
95.08573	0.8
97.02868	26.4
97.06506	9.8
99.04452	4.6
103.03874	0.8
105.06996	1.1
107.04884	0.5
107.08558	0.9
109.02860	7.9
109.06474	0.6
111.04424	3.5
113.05984	100.0
115.03957	0.8
118.14511	0.5
119.08527	0.6
121.06483	0.8
123.04434	0.6
123.08010	0.5
127.02953	0.9
127.03884	22.0
127.07539	2.1
129.05470	1.0
129.06970	0.6
131.08572	1.1
133.06543	0.5
133.10083	0.5
135.04323	0.7
137.05946	0.7
143.08469	0.5
145.04932	28.5
145.08553	9.1
149.05937	0.9
157.10097	0.4
163.05978	8.7
167.06937	1.1
173.90924	0.5
175.07484	2.7
175.14819	1.0
179.07088	0.6
182.10870	0.5
185.42548	0.5
189.07550	5.0
191.06949	0.5
239.09096	2.8
257.10101	6.4
275.11252	2.7
289.09027	2.0
292.07458	0.5
325.07669	0.7
325.11218	14.6
335.09125	0.8
353.20944	2.2
367.11713	0.5
371.22025	14.0
600.37756	0.5
646.07025	0.5
763.62555	0.5
839.25391	0.7
852.20062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	8.2
65.03915	2.3
67.05140	1.2
67.05490	29.5
69.03414	37.3
69.07043	3.6
71.04970	13.0
73.02888	3.0
75.44150	0.6
79.05471	15.8
81.03388	7.9
81.07034	42.9
83.04978	5.3
83.08585	0.6
85.02888	87.6
85.06520	11.5
87.04444	7.0
91.03942	5.4
91.05454	17.5
92.09097	3.9
93.07024	13.8
95.04942	62.0
95.08569	6.5
97.02250	1.2
97.02867	27.2
97.06511	14.1
99.04453	4.7
103.03915	1.0
103.05455	0.8
105.07008	27.2
107.04934	3.1
107.08570	13.7
109.02869	7.7
109.06492	3.8
109.10143	3.3
111.04428	6.0
111.08061	0.7
113.05984	100.0
115.03956	0.6
115.05439	1.1
116.06226	0.6
117.06997	10.5
119.08545	15.7
121.06467	4.3
121.10118	6.3
123.08004	0.8
125.05992	1.3
127.03893	20.8
128.06204	2.7
129.06953	9.1
130.07739	1.2
131.08534	20.3
132.08856	0.6
133.06433	1.0
133.10088	11.7
135.08022	2.5
135.11690	1.3
137.05948	3.2
137.09608	0.6
139.07555	0.5
140.04776	0.7
140.51192	0.5
141.06973	2.8
142.07751	3.2
143.08534	10.9
144.09312	1.0
144.60143	0.5
145.04939	31.5
145.08582	17.0
145.10097	17.8
147.08028	2.1
147.11646	4.6
149.05954	1.3
149.09639	2.2
151.07512	1.2
153.05463	0.7
153.06998	0.6
155.08534	6.9
156.09302	1.3
157.10088	16.2
158.10884	0.8
159.08015	3.0
159.11662	8.5
161.05994	0.6
161.09589	2.8
161.13199	0.8
163.06017	12.0
163.07382	1.2
166.07721	0.8
167.07034	0.9
167.08522	3.5
168.09232	0.8
169.10045	4.8
171.11632	5.8
173.09555	1.0
173.13228	8.3
175.07578	0.9
175.11096	2.2
177.05438	0.8
177.09087	4.3
177.12733	0.7
179.06999	1.3
181.10100	4.7
182.10904	1.2
183.11626	6.1
185.13165	2.8
187.11156	1.0
189.07503	4.9
189.09114	3.9
191.10577	0.6
193.10143	2.5
194.10817	0.7
195.11635	4.1
197.13211	5.4
199.11093	0.9
199.14838	2.5
203.10426	0.6
205.10147	0.7
206.14328	0.6
207.11703	1.4
209.13235	4.0
211.11243	0.8
211.14775	1.1
213.12624	1.2
215.10669	1.3
217.12193	1.0
225.12767	1.1
225.16304	0.9
227.10692	1.1
227.14240	0.8
233.13217	2.3
237.02734	0.6
237.12781	1.0
239.09030	2.4
239.14032	0.7
241.12141	0.8
243.13658	4.5
249.16359	1.4
255.13637	2.9
257.10110	8.7
261.12561	0.7
267.13629	0.9
269.15314	1.4
273.14774	6.8
273.44928	0.6
275.11111	8.8
275.17969	0.9
289.09158	1.3
289.19470	1.4
307.16803	3.2
307.20395	1.8
317.19040	1.0
325.11197	21.8
331.33951	0.6
335.19934	25.2
336.20541	0.9
353.21027	49.7
354.21133	1.2
371.22049	12.3
401.20541	0.7
491.74045	0.6
529.00061	0.7
719.31757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	9.7
65.03931	0.9
67.05488	21.8
69.03411	39.2
69.07056	0.6
71.04974	15.8
73.02886	3.4
73.06525	0.4
78.07764	0.4
79.05473	2.4
81.03391	11.0
81.07024	2.4
83.01311	1.6
83.04952	2.8
85.02886	98.6
85.06523	14.3
87.04451	6.8
91.03922	4.6
91.05437	1.5
93.07012	2.4
95.04941	51.7
95.08584	0.6
97.02863	31.3
97.06504	6.6
99.04419	4.7
101.06014	1.6
102.36028	0.4
103.03916	1.6
105.06998	1.8
107.08588	0.8
109.02860	9.7
109.06477	0.9
111.04428	1.5
113.05982	100.0
115.03902	0.5
119.08529	1.6
121.10046	0.7
123.08037	0.4
127.03880	22.5
131.08499	1.5
133.10117	0.6
135.04352	0.5
137.05943	0.8
143.08386	0.4
143.50916	0.4
145.03821	0.9
145.04942	26.7
145.08572	19.1
145.09785	0.8
145.10181	0.5
147.11627	1.6
157.09981	0.5
159.11594	0.6
161.90483	0.4
163.05975	9.5
163.07378	0.7
169.10071	0.5
171.11673	0.6
175.14754	0.8
179.07005	0.8
189.07538	2.8
239.09082	1.9
257.10126	5.9
275.11234	4.1
289.08960	0.9
325.07654	0.7
325.11212	13.2
353.21005	1.9
371.22061	44.1
372.22018	0.4
401.41269	0.5
446.47025	0.5
454.61627	0.5
707.20227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02593	0.3
61.02912	10.3
65.03931	1.7
67.05489	22.0
67.62721	0.2
69.03412	40.2
69.07039	1.1
71.01323	0.5
71.04974	15.7
73.02893	4.6
73.06548	0.4
79.05466	3.5
81.03396	10.0
81.07040	1.7
83.01311	0.4
83.04977	3.2
85.02885	100.0
85.06524	13.7
87.04445	5.9
91.03925	4.9
91.05459	2.5
93.07030	1.4
95.04944	54.7
95.08576	1.1
96.74724	0.3
97.02866	29.6
97.06506	8.2
99.04431	5.3
101.02341	1.0
101.06009	1.2
103.03929	1.1
105.07014	2.1
107.04939	0.6
107.08581	2.2
109.02861	9.8
109.06497	1.4
109.10145	0.4
111.04434	2.0
113.05983	94.3
114.06332	0.2
115.03913	1.4
116.06168	0.3
117.06989	0.9
119.04941	0.3
119.08572	1.7
121.06466	0.3
123.04430	0.3
125.06004	0.3
127.03888	19.9
127.07535	0.3
129.05434	0.4
129.06987	1.3
130.07773	0.3
131.08572	2.4
133.06401	0.3
133.10132	0.3
135.04411	0.5
137.05968	1.4
141.52809	0.3
143.08498	0.3
144.06384	0.3
145.04936	28.6
145.08571	18.7
145.10199	0.4
147.08049	0.6
147.11662	0.5
149.05910	0.4
151.07629	0.4
153.05469	0.4
155.08531	0.4
157.10121	0.5
159.11678	1.2
163.05988	10.8
163.07339	0.6
167.06995	0.3
171.11678	0.4
173.13159	0.3
175.07509	5.9
175.14810	1.8
179.06981	1.1
181.10011	0.3
183.11736	0.3
189.07562	2.7
189.65314	0.3
191.06792	0.3
213.07520	0.5
218.69614	0.3
221.07909	0.3
239.09027	2.4
257.10120	6.4
271.08051	1.0
275.11176	3.6
289.09146	1.9
325.11237	12.6
335.19952	0.4
353.20898	1.9
371.22073	39.9
372.22528	0.4
387.18387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	12.6
65.03911	0.9
67.05136	1.3
67.05489	31.6
67.05846	1.1
68.84363	0.6
69.03411	9.3
69.07047	10.4
71.04965	6.9
73.02895	4.6
79.05475	32.9
79.69978	0.6
81.03397	100.0
81.07035	39.3
83.04964	27.3
83.08600	32.3
85.02887	52.9
85.06541	2.6
87.04447	1.6
91.03942	8.4
91.05460	43.7
92.08740	2.5
92.09343	1.5
93.07018	24.5
95.04942	37.7
95.08579	14.6
97.02866	13.4
97.06496	5.4
97.10159	7.6
99.04428	1.4
99.08070	1.1
99.53627	0.6
105.07008	35.8
107.04941	11.8
107.08573	12.5
109.02854	0.7
109.06491	6.9
109.10117	5.1
111.04401	4.9
111.08058	17.0
113.06006	5.2
115.05447	1.1
117.06996	2.5
119.08555	30.6
121.06467	2.2
121.10125	12.5
123.08073	4.5
123.11694	3.6
125.05953	0.7
125.09652	2.5
127.03880	3.2
128.06242	0.6
129.06976	18.5
131.04892	1.0
131.08543	21.4
133.06450	5.2
133.10101	21.3
135.11661	1.2
137.09578	4.9
137.76599	0.6
141.06908	0.7
142.07701	6.1
145.04953	1.2
145.10109	3.8
147.08043	6.1
147.11667	23.9
149.09587	10.4
151.07426	0.8
157.10095	22.5
159.11623	0.7
163.06009	3.0
163.11125	1.1
165.12737	5.9
166.10893	0.8
171.08044	0.8
175.11139	24.5
193.12210	61.6
211.13254	62.0
267.15851	34.1
267.18625	1.3
272.07043	0.6
285.16898	60.6
367.22772	0.8
385.23611	3.5
411.19952	0.8
433.25620	1.6
441.25772	0.8
459.27258	31.3
477.21408	0.8
477.28387	31.9
495.29413	79.6
639.33545	1.1
688.37274	0.7
854.60254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	4.6
67.05486	7.7
69.03445	2.8
73.02898	4.1
79.05456	2.5
81.07047	4.0
85.02898	3.7
85.34591	2.6
91.03973	3.6
95.08605	3.3
97.02895	3.9
107.41312	1.9
108.84620	2.0
109.10139	4.4
142.13040	2.3
155.82259	2.2
194.92865	2.2
323.25952	2.2
347.09674	2.6
405.13687	2.8
413.17990	7.7
519.28949	2.9
575.23029	11.5
691.40082	3.1
798.15961	2.9
848.88782	2.5
853.45221	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	853.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	4.6
67.05486	7.7
69.03445	2.8
73.02898	4.1
79.05456	2.5
81.07047	4.0
85.02898	3.7
85.34591	2.6
91.03973	3.6
95.08605	3.3
97.02895	3.9
107.41312	1.9
108.84620	2.0
109.10139	4.4
142.13040	2.3
155.82259	2.2
194.92865	2.2
323.25952	2.2
347.09674	2.6
405.13687	2.8
413.17990	7.7
519.28949	2.9
575.23029	11.5
691.40082	3.1
798.15961	2.9
848.88782	2.5
853.45221	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	851.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86668	1.0
62.32483	0.8
67.05484	1.9
69.03410	4.4
70.84521	0.9
71.04958	4.6
79.05449	4.4
81.07027	6.7
85.06516	4.9
91.05434	1.5
93.07024	4.7
95.04935	3.9
95.08592	6.7
97.06512	1.0
105.07011	8.9
107.08583	9.5
109.06486	5.1
109.10138	4.0
111.08057	1.1
113.05995	2.3
119.08558	7.9
121.10132	6.5
123.08036	21.1
131.08514	5.0
133.10062	4.5
135.11641	6.0
143.08461	2.2
145.08566	0.9
145.10049	8.0
147.07964	1.1
147.11664	6.5
147.94006	0.9
149.09567	1.6
149.13222	1.9
155.08456	1.2
157.10088	8.2
159.11642	8.5
161.13231	6.6
163.14781	2.0
169.10132	1.2
171.11674	6.0
173.13213	4.5
175.11072	1.0
175.14772	1.9
183.11761	3.0
185.13193	1.9
187.14760	10.7
197.13266	4.2
199.14726	3.6
201.12746	1.5
203.14223	2.3
205.15866	8.8
211.14699	1.1
213.16402	4.1
215.14279	1.4
227.14284	1.7
227.17854	5.8
239.17892	1.7
241.15829	6.1
245.18982	5.7
251.17761	1.0
253.19479	8.3
255.21040	6.4
257.18881	1.6
269.18982	1.4
271.20480	5.1
273.22064	2.1
279.21051	4.4
279.48947	1.0
297.22037	43.8
315.23132	100.0
333.20169	8.1
333.24326	3.7
384.44626	1.0
486.97815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10368	0.8
62.03701	0.9
63.23488	0.8
63.71875	0.8
65.03939	4.9
68.62664	0.8
70.06572	22.1
71.08613	2.3
88.07614	23.1
88.43494	0.8
102.09148	19.0
121.02890	1.4
131.04918	0.9
139.03937	4.1
149.02325	100.0
149.03386	8.0
172.17926	1.1
175.03871	1.6
177.05421	1.2
181.28076	1.0
193.04935	52.4
219.06673	1.8
237.05447	1.5
237.07463	10.6
256.26294	59.8
256.28961	2.1
282.59399	1.0
333.81522	1.2
341.06732	3.8
353.14093	1.0
365.27039	1.0
385.09247	7.8
429.11844	1.6
487.95508	1.1
577.13348	9.8
621.16400	8.2
850.39917	80.8
851.40930	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	850.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	5.9
60.04507	1.9
61.02914	5.1
69.03413	90.1
69.06982	0.3
71.01333	0.5
71.04967	0.9
73.02911	3.9
75.04459	3.7
79.05455	0.4
81.03412	4.3
83.04947	0.7
84.74450	0.4
85.02888	100.0
87.04448	65.4
91.03938	2.9
91.05460	0.4
93.16348	0.4
97.02869	77.4
99.04422	4.0
101.02362	0.7
103.03899	0.7
104.76488	0.4
105.07022	7.2
108.35670	0.4
109.02847	4.8
111.04405	0.7
115.03906	89.4
116.04204	0.4
119.08530	0.9
123.04390	0.6
127.03896	15.1
133.04942	67.3
134.90395	0.4
135.08054	0.4
136.97754	0.4
137.05991	0.6
139.03906	0.5
143.08501	0.6
145.04936	23.2
147.04395	0.7
147.08002	2.1
147.45284	0.4
150.07593	11.4
161.98364	0.5
163.05959	7.8
167.07037	0.5
169.04909	2.1
171.07988	1.0
177.05368	0.7
181.04926	0.6
189.09061	2.4
193.04993	0.6
201.09068	2.3
207.10088	0.9
211.05997	0.6
219.10027	1.5
223.05891	1.5
231.10089	0.6
241.06868	2.8
249.11044	0.5
255.12196	8.9
259.08038	13.2
265.04123	0.4
277.09015	2.7
285.13281	13.6
295.10175	17.0
302.15872	2.9
343.78323	0.4
434.14505	0.7
434.20078	17.2
853.38489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	3.5
61.02914	15.9
65.03925	1.0
67.05491	100.0
68.87253	0.7
69.03419	3.5
69.07047	7.8
71.04967	1.6
73.02896	4.6
79.05475	23.7
81.03410	1.0
81.07035	40.4
83.08587	7.2
85.02890	13.3
85.06506	1.3
91.03937	7.9
91.05460	16.1
92.08762	1.3
92.09231	1.2
93.07019	27.9
93.31676	0.8
94.87122	0.8
95.04946	3.3
95.08001	1.5
95.08585	32.0
97.02868	6.5
97.06516	0.8
97.10114	0.8
99.04493	0.8
99.08117	0.8
99.77303	0.7
105.07014	9.8
107.08582	15.4
109.06474	0.9
109.10138	78.7
111.08033	3.1
117.06973	3.5
119.08546	10.8
121.10121	13.6
123.11668	3.5
127.03889	1.1
131.08533	6.5
133.10085	7.2
135.11697	7.8
137.09644	3.4
145.05006	3.3
145.10115	4.8
147.11609	3.8
149.13223	5.9
155.10664	1.6
159.11629	3.3
161.13170	1.3
163.05966	0.9
163.14748	1.0
173.11731	20.3
173.13199	3.4
177.16394	1.3
187.14825	1.6
189.11108	0.9
227.12741	3.2
229.14305	57.2
243.21022	5.2
261.22070	15.9
317.24945	1.2
319.24054	0.8
335.25726	48.6
413.17126	0.8
415.32281	0.9
446.31177	0.9
471.34357	0.8
489.35641	55.9
507.36423	7.2
826.33179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	4.7
61.02914	15.5
65.03909	1.3
67.05489	100.0
69.03404	1.8
69.07051	8.1
71.04975	2.8
73.02897	5.1
77.32471	1.0
79.05467	19.3
81.07030	40.2
83.04962	1.3
83.08607	7.0
85.02893	12.0
85.06499	1.7
91.03929	10.6
91.05453	12.6
93.07018	30.3
95.04962	1.9
95.08585	24.5
97.02879	6.6
97.10123	1.4
105.07015	8.2
107.08578	17.8
109.10135	77.4
111.08029	2.2
117.07034	1.1
119.08534	10.4
121.10100	12.2
123.11598	2.8
127.03906	1.9
131.08510	7.3
133.10080	6.5
135.11688	6.3
137.09587	1.6
137.13248	1.2
144.74706	1.1
145.04921	1.3
145.10100	5.3
147.11627	2.0
149.13260	5.7
155.10616	4.5
159.11629	2.6
161.13243	2.0
163.06009	1.6
163.14708	1.3
173.11705	18.6
173.13084	2.7
186.43166	1.3
227.12762	4.2
229.14296	64.7
243.20970	2.4
261.22205	11.1
335.25735	45.9
368.33286	1.3
489.35632	39.7
507.36639	7.0
577.93787	1.2
680.38995	1.2
836.15546	1.3
848.51660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16336	0.7
63.18710	0.7
65.20287	0.7
67.05484	4.3
69.07055	1.1
71.23201	0.7
75.84271	1.0
77.86301	1.0
79.05475	1.9
81.07040	5.2
83.04962	6.0
85.06523	1.8
88.23669	0.7
91.05450	3.1
92.28443	0.8
93.07021	5.4
95.08593	4.0
97.06513	7.9
105.07024	5.7
107.08583	4.5
109.06524	1.6
109.10123	4.0
113.06013	4.5
117.07078	1.1
119.08568	3.4
121.06508	4.3
121.10101	1.0
123.08038	1.6
131.08533	3.7
133.10097	25.9
135.11653	0.9
137.09605	1.5
143.08566	4.5
145.10120	8.3
147.08002	3.4
147.11699	5.5
155.08542	7.1
157.10098	4.7
159.11699	10.1
161.09572	3.9
161.13240	1.6
169.10138	6.4
171.11642	6.2
173.09586	9.2
173.13213	6.1
181.10069	2.1
182.10919	1.0
183.11676	6.9
185.11703	1.0
185.13292	4.0
187.14760	3.3
193.10155	1.4
195.11697	4.4
196.12477	3.4
197.13197	1.4
200.65286	1.1
207.11711	1.8
209.13229	4.9
211.14766	31.9
213.12770	1.2
215.14203	1.2
221.13211	1.3
222.13918	0.9
225.12741	2.1
225.16368	1.2
233.13219	1.1
235.14806	1.1
237.16315	10.8
239.14250	2.1
251.17885	8.3
254.16583	1.2
255.17393	17.8
269.18942	43.4
269.21826	1.4
277.19550	3.9
284.57574	1.1
295.20483	11.6
313.21500	21.9
331.22617	100.0
332.22983	1.3
373.23544	1.3
375.09985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	0.7
59.07639	0.5
62.74741	0.6
63.39152	0.7
67.05491	9.0
69.03416	5.0
69.07047	0.9
71.04971	3.0
75.04448	1.4
78.89588	0.6
79.05455	3.5
81.07033	9.5
83.04958	1.5
83.68484	0.8
85.02875	4.0
85.06513	3.2
85.28577	0.7
91.05451	3.8
91.86416	0.7
93.07007	7.1
95.04945	6.5
95.08040	1.0
95.08575	9.8
97.06513	7.4
105.07001	13.7
107.04928	1.0
107.08574	7.0
109.06499	16.0
109.10152	6.1
111.08049	1.4
113.06000	12.8
117.07019	3.1
119.08556	19.9
121.06499	3.6
121.10094	5.5
123.08026	5.8
123.11674	1.5
125.05955	1.5
127.03864	0.8
128.06239	0.8
129.06978	1.0
131.08536	6.8
133.10100	18.5
135.07994	3.1
135.11649	5.0
137.09564	3.5
143.08549	7.3
145.08530	0.8
145.08870	1.0
145.10086	14.6
147.07999	4.6
147.11664	7.4
149.09566	4.2
151.03891	3.4
153.05409	0.9
155.08539	3.6
156.09302	1.6
157.10103	6.7
159.11641	9.5
161.09570	6.0
161.13248	6.2
163.11108	1.7
169.10086	6.3
171.11644	33.2
173.09586	1.8
173.13217	10.2
175.11124	3.1
175.14809	5.2
177.12703	1.3
181.10075	1.6
183.11670	6.8
185.13257	6.1
187.11134	1.0
187.14777	1.6
189.12709	4.6
195.11655	4.5
197.13240	5.7
199.11163	3.5
199.14886	2.6
201.12781	0.8
203.14200	1.2
207.11618	1.1
209.13144	1.1
211.11148	1.0
211.14719	4.5
213.12805	1.2
213.16322	3.9
215.14235	1.7
217.15884	1.7
219.13597	1.0
221.13184	2.8
223.14890	1.1
225.12827	1.7
227.14311	1.2
235.14847	1.8
237.16280	8.0
239.14317	3.0
251.17900	3.6
253.15750	1.2
253.19519	9.5
255.14394	0.7
255.17320	6.7
257.18988	1.7
267.21030	1.4
269.19040	2.7
271.20538	9.9
277.19446	8.9
280.18036	1.8
291.02844	0.8
295.20483	42.6
301.25317	1.3
313.21558	100.0
314.21753	1.0
331.18927	2.2
331.22577	58.8
337.21521	3.7
343.30652	0.8
355.22473	3.2
373.23621	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.6
67.05490	8.1
69.03423	3.7
69.07048	1.5
71.04958	1.1
73.02902	4.4
79.05472	6.8
81.03390	1.4
81.07036	7.0
83.08618	1.1
85.02911	4.2
91.03958	1.6
91.05498	3.8
91.90251	0.6
92.64224	0.7
93.07032	5.6
95.08577	6.7
97.02896	4.4
97.06534	1.0
101.02410	1.3
103.32117	0.7
105.07050	1.5
107.08605	2.6
109.10182	3.5
119.08630	1.3
121.10155	1.0
131.08540	1.3
185.04192	0.8
203.05423	0.7
243.08438	1.6
337.27362	0.8
349.19904	4.4
519.29327	6.4
567.27618	4.0
717.41870	0.9
844.49200	1.0
845.50012	100.0
846.50281	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	847.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	6.1
67.05480	5.2
69.03413	4.3
69.07052	1.9
71.04945	0.4
72.87172	0.4
73.02897	4.9
79.05470	4.4
81.03405	1.9
81.07039	6.2
82.29737	0.4
83.08581	0.8
85.02890	5.3
91.03931	2.5
91.05462	3.9
93.07019	4.4
94.43094	0.5
95.08588	3.9
97.02867	5.5
97.10129	0.4
101.02369	2.5
101.84171	0.5
105.07039	2.7
107.08598	2.4
109.02915	0.7
109.10154	2.5
119.08562	1.0
121.10155	2.0
127.03912	2.0
131.08546	0.9
133.10091	0.7
135.11684	0.8
145.10144	0.6
147.82413	0.5
173.13213	0.5
185.04066	0.6
242.44519	0.5
243.08435	2.1
301.80127	0.5
335.25705	1.1
351.21375	4.3
404.03467	0.5
496.44443	0.5
519.29205	7.2
569.29004	6.6
847.51569	100.0
848.52063	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49549	0.9
67.05479	1.3
67.74776	1.0
71.59092	0.9
92.09315	1.3
97.33133	1.2
98.73224	0.9
100.06918	1.1
105.47807	1.0
110.66864	1.0
116.78974	1.0
125.06641	1.2
148.12943	1.0
182.48764	1.0
185.31154	1.0
579.88843	1.2
845.47986	100.0
846.49109	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32656	0.7
66.08667	0.8
73.73388	0.9
74.04196	1.0
92.08875	2.0
114.63598	0.9
146.85245	0.9
159.14935	0.9
232.07397	0.9
293.69055	1.0
739.92993	1.1
845.47968	100.0
846.47662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	1.4
65.03912	0.5
67.05490	6.5
69.03413	5.6
69.07052	0.4
71.04977	2.4
75.34135	0.2
79.05476	5.0
81.03407	0.8
81.07037	4.8
83.04961	1.0
83.08599	1.0
84.99497	0.2
85.02891	2.1
85.06513	2.7
87.04444	2.0
91.05456	9.0
93.07020	5.0
95.04324	0.3
95.04935	7.2
95.08578	3.9
97.02873	3.0
97.06496	1.8
99.08068	0.3
103.05453	0.4
105.07009	16.7
107.04932	1.2
107.08571	18.5
107.19928	0.2
108.45823	0.2
109.02843	0.9
109.06499	1.6
109.10130	2.1
111.08041	0.4
113.05988	9.3
115.03911	1.2
115.05446	1.0
117.03356	0.2
117.06987	8.2
119.04938	0.3
119.08557	6.8
121.06445	1.5
121.10127	3.3
123.04433	0.2
123.08044	1.0
123.11660	1.0
127.03855	0.2
128.06187	3.9
129.06982	4.3
130.07735	2.6
131.08537	13.6
133.04921	0.5
133.06506	1.2
133.10103	12.3
135.08011	1.1
135.11647	2.6
137.05965	1.8
137.09570	1.9
141.06943	1.4
142.07806	1.3
143.08537	21.2
144.09201	0.3
145.02831	1.0
145.06468	1.0
145.10097	18.7
147.04402	0.9
147.08014	4.5
147.11655	4.5
149.05974	0.4
149.09599	3.8
149.13246	1.1
151.11053	0.3
153.06956	0.2
155.08519	2.0
156.09203	0.3
157.10083	6.3
159.08041	2.6
159.11649	8.1
161.05978	1.4
161.09581	16.6
161.13249	1.2
163.03854	1.0
163.07504	1.6
163.11153	1.8
165.09026	0.5
165.12747	1.4
167.07008	1.7
167.08560	1.0
169.10077	1.7
171.07997	10.7
171.11618	2.8
173.09547	2.7
173.13229	3.0
175.07506	3.0
175.11157	6.7
177.05431	0.8
177.09065	3.2
177.12691	3.7
179.08502	0.2
181.10139	1.3
183.08110	0.5
183.11635	1.9
185.09595	3.0
185.13251	1.0
187.07512	1.0
187.11136	1.2
187.14865	0.3
189.09062	35.4
189.12709	1.4
190.09372	0.3
191.10655	1.3
191.14246	2.8
193.10127	0.4
194.10818	0.2
195.08083	0.2
195.11691	1.5
195.13431	0.3
197.09578	0.4
197.13257	1.0
199.11180	2.6
201.09128	2.0
201.12698	0.3
203.10631	2.5
205.12146	0.3
207.11674	0.9
209.09636	0.4
209.13206	0.9
209.15352	2.2
211.11139	1.0
211.14816	0.5
213.09070	1.2
213.12666	0.5
215.10776	0.3
215.14128	0.3
219.11768	0.4
221.13225	0.4
223.11127	1.0
223.14792	0.4
224.58577	0.2
225.09070	0.8
225.12720	0.4
227.10641	1.2
229.12210	0.3
231.10089	1.5
233.13358	0.4
235.14771	0.4
237.16258	0.3
239.10506	0.9
241.12195	0.9
247.14932	0.8
251.14268	0.4
251.17787	0.5
253.12215	0.5
260.15546	0.3
261.16132	0.3
271.13245	0.3
275.17987	1.2
279.21014	0.8
281.15341	0.3
289.16403	0.4
289.19363	2.4
293.18985	1.3
307.20490	6.4
309.21994	0.3
311.20053	0.4
316.74612	0.3
317.18991	2.2
325.21555	6.9
334.04507	0.2
335.19980	11.1
343.22443	1.7
353.21048	25.2
354.21484	0.4
371.22079	28.0
372.22528	0.4
389.23135	100.0
390.23505	2.1
407.24228	8.9
524.35400	0.2
670.59424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	5.9
67.05489	4.6
69.03404	1.4
71.95832	1.1
73.02892	4.3
79.05472	5.0
81.07054	6.4
82.62685	1.2
84.22166	1.1
85.02885	2.8
91.03918	1.8
91.05473	2.1
92.08904	4.1
93.07018	4.9
95.08598	2.4
97.02892	1.9
101.02397	1.2
105.07053	1.3
108.85628	1.1
121.10140	2.1
145.10095	1.1
184.07378	1.2
243.08440	2.6
261.15622	1.3
290.32257	1.2
293.77097	1.3
347.18430	5.8
519.29327	4.7
565.26257	2.7
843.48431	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	843.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.5
64.33272	0.7
67.05502	8.6
68.09838	0.6
68.15241	0.7
69.03416	4.0
69.07053	3.0
70.96539	0.6
73.02892	4.4
74.76678	0.6
79.05473	6.5
81.03410	1.4
81.07046	6.2
83.04951	0.6
83.08598	1.0
85.02886	5.2
91.03946	3.8
91.05456	4.4
92.09400	1.3
93.07024	5.8
95.04947	0.8
95.08583	5.3
97.02863	5.9
97.06534	0.9
101.02387	2.7
101.52574	0.6
103.05517	0.7
104.04018	0.6
105.07040	3.4
107.08604	3.2
109.06499	0.8
109.10167	1.3
114.36835	0.6
117.07017	1.2
119.08569	1.3
121.10138	1.2
127.03889	1.0
131.08588	1.1
133.10156	1.0
142.44862	0.7
144.79578	0.7
145.10132	1.2
154.36800	0.6
180.80013	0.7
193.65247	0.6
201.26881	0.7
243.08534	1.2
335.25998	1.3
347.18158	1.2
367.52170	0.8
466.03171	0.6
519.29230	5.5
565.26129	2.5
843.48474	100.0
844.49219	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	842.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	0.9
61.02904	1.4
65.03924	3.6
67.05491	100.0
68.99670	0.8
69.03403	3.9
69.07051	29.7
69.90511	0.8
71.04970	4.7
71.08606	0.8
79.05473	71.7
80.18418	0.6
81.03387	4.0
81.07037	94.1
83.04962	5.8
83.08594	13.6
85.02895	3.5
85.06508	4.0
87.04406	0.8
91.05457	50.0
92.08629	1.7
93.07021	74.4
95.04956	10.6
95.08583	66.2
97.02857	1.2
97.06522	7.1
97.10166	6.3
99.08086	1.1
105.04524	1.0
105.07014	38.5
107.04923	4.0
107.08579	45.2
109.06483	7.9
109.10139	41.6
110.61143	0.8
111.08037	4.3
115.05425	0.8
117.06985	16.5
119.08550	32.9
121.06480	3.4
121.10119	27.7
123.08037	4.4
123.11684	7.8
123.73900	0.7
125.09602	4.0
129.06990	4.7
131.08537	22.8
133.06526	0.8
133.10103	21.2
135.08035	3.1
135.11679	15.2
137.09599	2.8
137.13193	1.4
143.08554	5.0
145.10100	18.2
146.15854	0.9
147.08041	1.0
147.11670	13.5
149.09593	4.1
149.13223	8.3
151.11095	1.3
155.08531	1.1
156.01517	0.8
157.10063	4.9
159.11652	13.5
161.13179	6.7
163.11098	1.7
163.14787	1.8
169.10170	0.8
171.11638	3.9
172.08946	0.7
173.11681	4.5
173.13225	8.6
175.14828	3.6
177.12637	0.8
183.11603	3.2
185.13217	5.6
187.14755	3.7
191.14381	0.9
195.13776	1.2
197.13232	1.5
199.14743	0.9
201.16263	1.7
203.14285	1.0
205.15779	1.0
217.15736	1.2
219.17430	1.4
227.12723	3.1
229.14323	12.5
239.17853	1.2
243.21138	1.2
257.18927	5.4
261.22098	8.6
269.17398	8.3
275.19965	16.6
281.22031	0.8
288.74283	0.8
293.21072	3.1
309.20505	7.5
309.66135	0.8
313.22089	0.8
333.24197	0.8
335.25723	70.3
349.23593	13.6
367.24719	9.7
471.34424	0.9
489.35840	9.3
507.36569	1.1
517.39917	0.9
529.38702	27.3
569.41852	42.5
591.43542	0.8
609.44836	25.9
610.45068	0.9
627.45923	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	842.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	6.9
61.02922	1.4
61.69693	1.0
67.05492	23.9
69.03419	22.8
69.07032	2.9
70.30885	1.2
71.04974	27.4
73.02895	8.3
75.04047	2.4
75.04457	48.2
76.32040	1.3
79.05470	6.7
81.03397	1.7
81.07043	10.1
83.04964	17.3
85.02890	58.6
85.06527	14.4
86.06036	1.4
87.04448	6.6
91.05470	1.6
93.07057	4.4
95.04943	49.0
95.08012	1.4
95.08595	6.2
97.02864	11.2
97.06487	11.3
99.04433	2.0
101.05993	2.1
105.07001	6.0
107.08578	6.8
109.02850	2.9
109.06519	1.5
109.10143	2.3
111.04440	11.9
111.08049	1.3
113.05991	100.0
117.06969	1.5
119.08590	5.0
120.44881	1.1
121.10134	5.0
125.05960	5.6
125.81078	1.3
127.03872	10.4
129.05466	10.5
131.08566	2.3
133.10117	2.8
135.11641	1.2
145.04977	9.3
145.08588	16.1
145.10063	4.5
147.11674	2.2
153.05414	8.9
155.07014	2.3
157.10124	2.2
159.11696	6.8
163.11093	2.0
167.07022	1.9
167.36995	1.3
169.10190	1.4
173.13257	1.7
175.14807	2.7
177.05421	1.7
181.08516	1.5
185.13139	1.7
187.14824	1.4
189.16333	1.8
201.16336	5.1
213.16284	1.7
250.10127	1.1
257.10260	2.2
275.11395	1.4
277.19644	1.8
291.20959	1.8
309.11780	6.7
314.98785	1.4
337.21475	10.7
355.22580	19.8
373.23645	76.3
517.31635	20.0
736.55927	1.4
781.79272	1.4
842.46808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	59.5
61.02903	2.6
64.12045	1.4
64.12511	1.5
65.03928	1.9
66.07069	1.4
67.05491	26.1
69.03410	48.2
69.07054	2.6
71.04972	15.6
73.02900	1.9
75.04447	2.4
76.56097	1.7
79.05475	3.9
81.03394	25.3
81.07026	6.8
83.04974	2.8
85.02888	79.6
85.06513	10.3
87.04446	65.5
91.03947	2.5
91.05457	3.3
93.07008	8.5
95.04942	100.0
95.08575	9.7
97.02866	85.1
97.06503	14.9
99.04412	9.2
101.05983	2.3
103.03905	3.3
105.05482	38.5
105.07011	7.7
107.08594	6.0
109.02853	23.7
109.06508	3.0
109.10154	1.8
111.04410	6.8
113.05981	57.6
117.03324	1.9
117.06985	2.1
119.08564	9.4
120.74572	1.6
121.06402	2.4
121.10123	3.3
123.04463	2.1
123.11690	1.8
125.57803	1.6
127.03886	57.7
131.08557	2.2
133.06514	1.9
133.10062	3.3
135.11620	1.9
137.05943	6.6
143.08562	2.4
145.04932	34.5
145.08614	8.0
145.10077	6.3
147.08022	2.1
147.11638	2.9
149.05975	2.4
153.05432	2.1
155.76422	1.8
157.10153	2.1
159.11662	3.5
161.13214	3.1
171.11549	1.9
175.07484	3.4
177.05446	2.2
187.14789	2.1
189.07504	2.7
189.16353	2.7
197.13203	1.9
213.07509	3.7
221.08055	3.5
231.08603	33.0
239.09132	7.2
249.09596	39.4
257.10211	3.9
275.11099	2.3
291.20840	2.3
299.11142	2.9
325.12720	3.7
337.21579	23.4
343.13852	13.1
355.22580	20.8
361.15012	2.6
373.23633	31.7
433.25671	14.1
503.21848	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	841.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	4.2
59.63838	0.4
61.02916	4.5
65.03922	2.2
67.05488	25.5
67.05848	0.8
67.91815	0.3
69.03413	28.0
69.07032	1.6
70.35968	0.3
71.04600	0.7
71.04971	13.7
73.02888	1.9
76.56430	0.4
79.05473	6.3
81.03389	4.2
81.07035	6.9
83.01337	0.5
83.04962	3.7
83.08592	0.6
85.02888	44.1
85.06058	0.7
85.06525	12.9
87.04450	3.9
91.03918	3.0
91.05471	2.9
91.98830	0.4
92.08691	0.7
92.37936	0.4
93.07013	6.4
95.04940	41.8
95.08604	4.1
96.05277	0.4
97.02866	11.5
97.06505	12.1
99.04433	2.7
101.02377	0.4
103.03877	0.5
105.07005	5.4
107.04954	0.9
107.08585	5.5
109.02872	3.8
109.06474	2.8
109.10127	1.9
111.04425	0.9
111.08089	0.5
113.05985	100.0
114.06290	0.4
117.06976	0.7
117.89276	0.4
119.08549	5.3
121.10107	4.9
123.08035	0.4
125.05963	11.7
127.03891	9.9
129.07005	0.8
131.08540	4.2
133.10092	3.6
135.08121	0.4
135.11661	2.7
137.05959	0.8
139.03946	0.8
139.07593	0.6
141.06961	0.5
143.08542	2.2
145.04927	14.1
145.08568	7.9
145.10083	5.8
147.08008	0.8
147.11655	3.7
149.13263	0.9
153.05429	10.8
155.07008	5.2
155.08400	0.8
157.10112	2.9
159.11649	6.3
161.06071	0.4
161.13242	3.1
163.06004	3.9
163.07454	0.8
167.07109	0.5
167.08504	0.6
169.10057	1.7
171.07957	0.4
171.11679	2.3
173.13245	2.8
173.14580	0.4
175.14766	4.6
177.09027	0.6
179.06969	0.6
181.10088	1.3
183.11707	1.9
185.13243	3.0
187.14816	1.8
189.07549	0.5
189.09123	0.6
189.16342	1.9
193.10223	0.4
195.11679	1.6
197.13277	2.2
199.11139	0.8
199.14777	2.8
201.12688	0.7
201.16356	7.1
203.17850	0.6
209.13306	1.7
211.14890	0.6
213.16394	1.3
215.17908	0.8
217.12263	1.7
221.13190	1.5
223.14828	0.7
225.16405	0.9
227.14316	0.4
227.17700	0.5
228.70605	0.4
229.12314	0.9
235.14931	1.3
237.16420	0.7
239.09070	0.7
241.12091	0.5
243.13884	0.6
249.16399	0.6
249.78339	0.4
253.15791	0.5
253.19666	0.5
255.13768	0.5
257.10193	2.5
257.15540	0.6
272.85468	0.4
277.19440	1.8
291.20950	3.4
295.20480	0.4
309.18668	0.5
309.22079	1.6
319.20380	3.2
325.11349	3.4
337.21524	15.2
355.22598	24.9
355.27026	0.8
356.22778	0.5
373.23648	71.1
374.23941	1.5
517.31567	11.4
634.79462	0.5
654.36633	0.5
679.21826	0.4
751.02966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	4.1
62.85645	3.5
65.03907	4.0
67.05149	5.3
67.05492	79.0
69.03409	17.8
69.07055	44.4
71.04958	21.1
73.02892	4.2
79.05048	5.8
79.05467	100.0
81.03387	17.9
81.07029	82.3
82.12218	2.9
83.04959	14.7
83.08593	14.1
85.02869	4.8
91.01962	3.1
91.05448	55.9
91.99032	2.9
93.07018	80.1
95.04946	20.7
95.08585	49.1
97.02881	5.7
97.06511	63.4
97.10201	3.1
97.40958	3.2
99.08061	4.7
105.07008	41.5
107.04932	12.8
107.08600	42.1
109.06497	19.3
109.10140	27.3
115.07542	5.2
117.06979	23.3
119.08524	24.9
121.06492	5.8
121.10098	22.2
123.08031	7.2
127.03915	3.6
129.06953	13.2
131.08551	23.8
133.10144	22.3
135.07999	4.9
135.11668	17.6
143.08546	4.9
145.10139	15.3
147.08022	3.7
147.11650	6.9
149.09587	6.3
149.13182	4.9
151.11105	3.9
157.10114	7.8
158.82210	3.2
159.11659	7.8
171.11691	6.2
180.97958	3.0
195.11610	4.3
261.22037	7.3
267.15869	4.3
269.17438	5.6
273.18378	19.6
291.19403	7.0
335.25729	54.3
347.22125	6.7
355.67596	4.1
365.23074	7.3
391.28625	4.8
529.38580	19.4
561.22021	3.4
572.80786	3.6
607.44019	10.2
625.44275	20.4
643.45062	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91245	2.2
65.03893	3.8
67.05492	73.4
69.03410	5.4
69.07053	20.2
71.04985	4.3
79.05474	67.4
81.03408	16.9
81.07037	100.0
81.60081	2.2
83.04957	5.1
83.08610	11.1
85.02885	4.0
91.05457	49.3
93.07028	59.7
95.04951	22.2
95.08585	39.7
97.02888	3.7
97.06519	13.2
97.10150	12.1
105.07022	31.9
107.04978	11.1
107.08575	35.0
108.63698	3.1
109.06506	27.6
109.10152	20.8
114.36922	2.4
117.07005	13.2
119.08555	27.5
121.06483	5.0
121.10106	26.0
123.08012	9.8
124.01978	2.6
125.09587	4.0
129.07014	9.7
131.08528	19.0
133.10117	10.6
135.08015	5.3
135.11650	12.8
140.06685	3.0
143.08565	4.6
145.10114	13.8
147.08041	2.8
147.11665	5.2
149.09624	4.5
157.10117	3.0
159.11652	9.2
161.09630	4.5
163.11212	3.3
169.10156	3.4
170.11147	2.6
227.12672	5.9
273.18448	16.4
291.19534	11.6
299.44992	2.5
324.11819	3.0
335.25714	42.3
336.26401	4.2
347.22180	3.6
356.35312	5.1
365.23108	9.5
525.25867	3.1
529.38367	3.7
607.43365	5.7
625.44360	23.9
636.68652	2.9
643.44623	5.8
712.86316	2.9
760.97943	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	838.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
69.03403	10.0
69.07053	46.1
71.04968	9.7
71.08588	6.4
71.14651	3.7
79.05469	69.4
81.03403	5.3
81.07032	83.6
83.04964	4.6
83.08597	22.5
88.11166	4.6
91.05462	61.1
92.08704	9.7
93.07024	59.7
95.04944	7.0
95.08583	56.5
97.02846	4.6
97.06515	7.0
97.10127	17.4
104.33691	4.0
104.55527	4.2
105.06995	45.6
107.04939	9.5
107.08567	35.4
107.22039	3.5
109.06454	4.9
109.10137	25.3
117.07022	10.0
119.08514	29.2
121.10087	21.5
122.37353	4.1
131.08536	19.3
133.10098	10.0
135.11632	16.4
143.08536	6.5
145.10132	17.6
147.11638	7.7
149.09546	7.4
159.11667	8.5
173.13243	7.4
184.01944	5.0
219.17433	4.8
257.18729	8.1
261.22311	8.4
275.20016	22.2
309.20624	4.3
313.27261	9.1
335.25751	56.7
339.28888	19.0
349.23456	19.8
419.51102	4.4
489.35468	8.8
502.21265	5.0
525.53528	5.3
529.38586	20.2
569.42017	18.9
577.51477	19.4
609.44586	34.4
612.45856	5.8
627.45245	5.5
631.61292	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	839.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	60.7
65.28368	2.7
67.05488	94.4
69.03411	4.5
69.07053	16.6
70.92520	2.5
72.51501	3.0
73.02899	24.1
74.07872	2.6
79.05471	64.9
81.03406	3.4
81.07034	100.0
83.08588	12.5
85.02893	63.1
91.03932	60.2
91.05434	24.8
93.07014	96.7
95.04945	4.3
95.08577	86.5
97.02870	22.1
105.06998	23.3
105.35286	3.0
107.08574	54.4
109.10141	45.8
117.07033	13.0
119.08563	21.0
121.10116	45.0
123.11681	22.2
127.03893	16.5
131.08528	31.0
133.10074	23.6
135.11638	33.9
136.23770	2.9
137.13261	3.9
141.64903	3.1
145.04938	18.9
145.10110	18.7
147.11650	16.2
149.13251	16.5
159.11678	19.9
161.13254	7.0
163.05980	33.5
163.14763	16.0
173.13243	21.4
175.14810	4.8
177.16367	3.8
187.14769	5.8
222.02036	3.0
243.20981	31.3
255.99658	3.3
261.22073	89.2
335.25769	41.1
353.26801	63.3
489.24942	3.2
489.33017	3.1
497.30740	5.8
609.95984	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	838.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90366	2.9
60.72268	2.8
65.03934	3.8
67.05492	100.0
69.03382	4.3
69.07058	32.5
70.16555	3.2
73.92673	3.3
79.05469	88.3
81.03391	25.7
81.07041	85.8
83.04961	23.7
83.08578	7.0
83.93732	3.5
85.02908	3.8
89.24651	3.2
91.05450	62.9
93.07023	88.2
95.04924	30.0
95.08578	52.4
97.06513	29.9
97.10152	8.0
105.07009	34.1
107.04934	31.9
107.08567	37.1
109.06518	26.5
109.10143	17.6
111.04430	4.4
113.05984	4.1
117.06990	17.2
119.08546	35.5
121.02840	7.7
121.06486	20.6
121.10109	25.3
123.08031	8.0
125.05946	9.0
125.09591	6.9
129.06984	8.4
131.08524	33.5
133.06442	7.5
133.10138	17.5
135.08022	21.3
135.11636	14.4
137.09633	5.6
137.79102	3.8
143.08562	6.8
143.61543	4.1
145.06502	7.2
145.10120	18.7
147.08017	5.6
147.11702	7.7
149.09627	7.5
151.07520	4.7
155.08510	6.2
156.36983	3.8
157.10121	8.0
159.08020	22.8
159.11615	8.5
161.09540	4.0
163.07501	8.1
175.07568	4.7
177.09125	4.0
179.17355	3.7
219.13812	4.6
227.96542	4.2
230.54343	4.1
233.15318	35.2
241.14284	5.6
271.16925	7.8
289.17938	52.4
307.18848	25.5
335.25717	97.2
363.21625	27.2
381.22592	22.0
411.32605	6.3
623.43024	36.8
641.44275	57.8
659.46704	4.7
662.59192	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	838.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48241	8.7
64.30641	8.7
65.95106	9.9
67.05486	80.6
69.07059	20.8
70.20389	8.3
79.05463	67.0
79.85703	10.1
81.07042	100.0
83.08614	16.3
84.22979	8.9
91.05465	55.7
92.08926	12.8
93.07030	78.5
95.08592	60.9
105.07006	43.6
107.08547	44.0
109.10184	20.8
114.86793	9.7
117.07007	17.2
119.08533	37.3
121.10118	36.4
131.08559	42.0
133.10107	18.1
145.10153	15.4
156.90161	10.5
159.11703	14.1
192.51440	9.8
199.32875	10.2
275.19873	15.0
313.99002	11.2
335.25739	97.0
335.37592	9.5
349.23779	14.0
529.38574	21.5
569.41296	20.4
569.59479	9.9
609.45020	43.9
656.01801	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	838.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.0
65.39848	1.9
67.05495	100.0
68.38068	2.1
69.03406	2.8
69.07060	25.9
69.67016	2.8
71.04985	2.7
78.82631	2.2
79.05476	64.6
80.29414	2.2
81.03408	11.2
81.07044	62.9
83.04977	15.1
83.08606	12.4
85.06528	2.9
91.05457	54.7
92.08859	11.6
92.09384	2.2
93.07024	66.1
95.04954	31.3
95.08585	45.2
97.06512	13.5
97.10161	14.6
105.07020	34.4
107.04951	19.7
107.08589	32.8
109.02886	2.7
109.06503	18.5
109.10159	21.7
111.04438	5.1
113.06021	3.9
115.05363	2.1
117.07029	16.6
119.04961	2.9
119.08551	34.6
121.06512	21.0
121.10129	18.0
123.04442	2.4
123.08076	4.9
125.05969	5.0
125.09657	4.9
129.06952	5.5
131.08549	24.0
133.06450	4.3
133.10100	11.2
135.08064	17.5
135.11685	9.6
135.29541	2.2
137.09555	4.0
141.06984	2.8
143.08533	4.5
145.10110	13.0
147.07999	4.8
147.11694	9.6
149.09633	8.7
149.13286	2.6
151.11174	2.8
153.09102	5.6
155.08510	3.5
159.08015	33.9
159.11671	3.6
161.09619	2.9
169.10060	2.8
171.11714	3.8
173.09583	5.0
175.11104	2.2
177.09064	12.1
191.10730	2.6
199.11142	2.7
217.12268	2.6
233.15332	9.0
239.46547	2.4
253.15794	3.6
261.18369	3.8
271.16830	16.8
289.17923	68.2
307.18997	10.2
335.21967	4.1
335.25769	56.7
363.21466	10.0
380.25754	2.9
381.22632	11.0
394.69794	2.1
489.35779	3.2
583.39838	3.7
623.42639	28.9
641.43933	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	838.442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	7.4
67.05499	12.1
69.03413	18.6
69.07045	5.3
69.93955	0.7
71.04972	4.4
73.02881	3.7
74.98717	0.8
79.05463	10.9
81.03408	8.5
81.07034	47.3
83.08592	3.7
85.02885	100.0
87.04429	1.4
91.03930	4.1
91.05457	11.2
93.07021	24.1
93.07573	1.6
95.04933	1.0
95.08585	24.4
97.02863	24.1
97.10165	1.2
99.04437	4.7
103.03921	1.0
105.07007	22.2
105.07654	1.3
107.08580	17.3
109.02850	8.5
109.10133	14.6
110.29796	0.9
115.03896	1.2
117.06954	6.3
119.08553	15.4
119.10682	1.0
121.02834	1.0
121.10107	13.1
123.11678	4.1
127.03887	24.1
128.06171	1.0
129.05423	0.9
129.06966	4.9
131.08543	17.7
132.63095	0.7
133.10092	19.7
135.08104	0.8
135.11671	7.6
137.05966	4.0
137.09573	1.1
137.13197	0.9
141.06944	1.1
142.07768	3.5
143.08521	11.3
145.02800	3.7
145.04935	25.9
145.10094	23.2
147.04401	1.5
147.11649	24.6
147.12746	1.4
149.09613	0.9
149.13225	12.5
155.08553	5.1
157.10095	29.0
159.11665	34.7
161.13243	17.1
163.06006	9.7
163.11182	1.0
163.14763	1.0
167.06975	1.3
169.10075	6.7
171.11629	12.0
172.89899	0.9
173.13214	16.9
175.14803	5.6
177.05382	6.1
182.10823	1.2
183.11623	7.9
185.13199	14.1
187.14767	7.6
196.12440	1.4
197.13222	10.0
199.14786	13.7
201.16399	5.5
211.14760	16.8
213.16339	12.9
214.16772	1.0
215.17918	1.7
225.16371	11.4
227.17909	3.4
238.10396	1.2
238.17087	0.9
239.17796	7.1
241.19508	1.7
253.19447	2.8
255.21022	47.8
273.22113	1.1
281.22574	97.4
283.24173	7.2
299.23618	63.1
300.23904	1.0
317.24649	17.2
325.11292	5.2
443.27603	1.0
461.28922	1.4
479.29868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62127	1.9
62.77238	1.8
63.83953	2.0
67.05495	4.6
69.03422	4.2
71.04963	4.1
71.95244	2.0
79.05487	2.5
80.32059	1.8
81.07046	3.8
82.80165	2.1
84.96027	5.4
85.02894	9.8
85.06521	4.0
91.05482	3.4
93.07027	5.5
95.04948	5.4
95.08574	8.6
97.02854	3.3
98.97564	83.8
105.07024	4.0
107.08547	3.7
109.10128	2.9
110.97564	8.4
112.99105	4.5
113.05998	14.7
116.98598	84.6
119.08562	4.3
121.10143	3.8
123.11665	2.1
128.98589	29.5
129.99364	3.0
131.00172	12.6
133.10103	3.0
134.99635	54.7
143.00185	15.1
145.10081	2.5
146.99634	25.5
148.00406	15.1
149.01215	11.9
153.00697	8.7
157.01677	14.9
159.11644	2.7
161.01164	22.6
161.09656	2.5
162.99170	2.7
165.00668	2.5
169.01695	22.7
170.99622	3.2
171.03372	2.8
175.02792	10.1
179.03650	3.7
185.01190	3.1
187.02788	31.4
189.04344	5.4
197.01173	4.4
199.02814	2.5
203.02188	7.3
205.03799	4.0
219.01747	19.9
223.02795	2.7
229.03772	4.4
237.02754	48.4
240.03050	3.3
241.03735	13.1
259.04910	4.3
261.02652	3.6
279.03836	4.2
313.32678	2.5
321.13806	2.8
323.15305	13.8
365.16525	11.1
385.20737	3.4
387.18497	2.6
399.18082	4.0
401.20035	3.8
403.21719	2.7
407.75293	2.3
411.18283	11.7
427.17572	5.0
429.19449	14.9
445.18451	3.0
447.20416	5.2
453.19070	4.9
471.20453	16.0
489.21576	14.3
555.25830	3.8
573.26801	11.8
597.27167	13.3
615.28033	12.9
633.29517	5.1
733.30621	17.6
735.32153	9.0
759.32233	43.3
777.33508	100.0
837.35254	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	0.8
61.02916	6.8
62.34629	0.5
67.05489	3.7
67.46413	0.5
69.03416	26.9
69.07045	1.3
69.22403	0.5
71.01337	0.7
71.04974	3.5
73.02892	3.2
74.96278	0.5
79.05469	4.3
81.03403	10.9
81.07037	9.3
81.95568	0.4
83.01334	0.7
83.04955	1.2
83.08617	0.9
84.95585	0.5
85.02888	100.0
85.06528	0.7
87.04442	2.9
91.03934	4.0
91.05456	6.9
92.08681	0.7
93.07027	7.6
95.04938	1.2
95.08588	7.8
97.02869	31.5
97.06523	0.9
99.04429	4.9
99.08083	0.6
101.02349	0.8
101.67124	0.5
105.07013	11.0
107.08575	10.9
109.02870	11.3
109.06526	1.0
109.10117	4.7
111.04407	1.0
115.03922	1.3
117.06989	3.1
117.59097	0.5
119.08543	8.9
121.06506	1.0
121.10110	4.6
123.04550	0.5
123.11718	0.7
127.03892	23.7
127.04813	1.1
129.06995	1.3
131.08566	5.9
133.05006	0.7
133.10083	7.4
133.47433	0.7
135.08054	1.1
135.11684	5.7
137.05981	1.0
137.09622	0.9
143.08580	5.9
145.04941	17.4
145.10101	11.3
147.08006	0.9
147.11684	11.0
149.13237	2.3
151.03867	0.7
151.11217	1.2
155.07242	0.6
155.08556	2.5
156.09325	0.8
157.10083	6.9
159.11679	9.6
161.13246	5.0
163.03984	0.7
163.06026	3.5
169.10094	4.2
171.11710	5.9
173.13213	3.1
175.11151	1.0
175.14755	0.8
177.12740	1.1
181.04964	0.8
181.10136	0.9
183.11632	3.7
185.13155	5.4
187.11180	2.5
187.14815	2.9
189.12778	2.6
195.11780	0.8
197.13257	3.2
199.14737	0.8
201.12700	0.9
203.14227	4.5
209.13251	0.9
211.14822	2.3
213.16385	0.8
213.18387	0.8
223.14748	0.6
237.16405	1.3
239.17909	6.2
253.19475	6.0
253.41252	0.5
255.21053	1.2
257.19147	2.0
269.22614	1.1
269.70255	0.6
271.20572	1.0
279.20999	7.4
285.22134	1.1
297.22058	21.1
315.23074	20.4
333.24164	30.4
333.28116	1.2
351.25229	6.4
477.28098	1.0
495.29498	5.6
513.30701	4.4
639.33618	2.9
675.35767	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54309	1.8
67.05492	7.1
69.03405	3.3
71.04997	2.6
81.07027	8.5
84.95994	4.4
85.02888	3.1
85.06526	2.4
91.05480	2.5
92.08647	5.9
93.07018	2.2
95.04947	4.8
95.08563	2.6
97.02859	2.2
98.97552	67.8
105.07008	3.5
107.08566	9.0
109.10136	3.7
110.97549	7.9
112.99110	2.9
113.05999	13.3
116.08572	1.6
116.98602	81.8
119.08516	3.0
121.10110	3.7
128.98567	26.2
129.99361	4.0
131.00137	11.2
134.99626	53.5
139.00609	2.0
143.00139	17.4
145.01733	2.8
146.99648	22.1
148.00424	13.5
149.01207	10.0
153.00690	9.0
157.01691	13.6
159.85541	2.1
161.01202	23.0
165.00717	2.7
169.01709	24.0
170.99614	2.3
175.02805	7.9
177.05452	2.9
185.01286	2.8
187.02751	42.1
189.00687	4.0
189.04301	2.7
189.92731	1.8
197.01250	2.1
199.02876	3.3
202.63483	2.0
203.02242	4.3
205.03784	9.1
213.04332	2.8
215.02232	2.6
219.01743	18.9
229.03802	2.9
237.02777	45.8
240.03047	3.0
241.03787	20.7
243.05435	2.5
255.03929	4.1
259.04831	7.1
261.06454	3.3
279.03995	3.2
287.32007	2.0
299.07111	2.0
303.12589	2.9
305.14087	2.9
321.13632	2.1
323.15250	11.3
337.25192	2.0
339.16531	2.1
347.15344	2.8
365.16809	9.0
381.17126	2.3
383.18253	14.9
385.20538	6.8
386.70230	2.1
392.06085	2.4
393.17081	2.8
399.18298	2.9
401.19839	3.8
411.18356	4.6
417.19370	2.7
427.17227	3.6
429.19473	14.7
445.18286	4.0
447.20294	9.0
453.19232	7.1
471.20160	16.1
489.21423	14.0
523.23151	3.0
527.26263	2.4
555.25378	2.5
573.27368	17.6
597.26965	11.2
615.27747	12.4
633.29510	13.4
726.17401	2.1
733.31201	14.1
735.32001	7.6
759.32532	43.6
777.33606	100.0
837.35461	41.3
868.91248	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	836.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54728	5.7
64.33607	6.4
65.03928	5.6
67.05490	76.3
67.08671	5.2
69.07050	27.3
79.05473	82.1
81.03416	11.2
81.07032	84.9
83.04958	8.7
83.08585	7.5
91.05464	47.5
93.07018	71.5
95.04929	40.9
95.08585	73.0
105.06994	51.8
107.04928	34.9
107.08564	38.7
109.06490	41.0
109.10114	12.7
117.07008	8.9
119.08574	15.1
121.06496	7.7
121.10081	12.7
123.08031	10.6
131.08511	26.0
133.06447	8.9
135.08031	13.2
135.11642	7.1
137.05922	7.9
145.10112	10.8
147.08061	7.2
161.05904	6.9
223.13274	8.1
232.77310	7.1
305.17514	8.7
335.25754	80.3
379.20981	85.8
433.24615	7.9
439.38986	6.8
532.18677	7.2
639.42584	100.0
751.61566	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	837.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	6.0
69.03409	8.2
69.07059	2.6
71.04967	1.9
81.07042	6.6
84.96030	2.8
85.02884	7.2
85.06535	4.6
91.05447	2.0
93.07057	2.3
95.04932	2.0
95.08580	4.7
97.02859	2.4
98.97560	71.9
99.04400	1.4
100.11266	1.2
105.07009	2.6
107.08575	2.2
109.10117	4.4
110.97549	9.1
113.05995	7.2
116.98602	75.4
119.08566	5.0
121.06470	1.3
128.98575	22.9
131.00157	8.7
131.08539	1.4
133.10088	1.4
134.99635	48.7
143.00139	8.6
145.10141	1.4
146.99614	28.3
147.11652	2.2
149.01250	2.6
153.00673	7.3
157.10132	2.2
158.01208	1.8
158.99626	1.7
159.11594	1.4
161.01189	12.4
162.99117	2.2
165.00734	5.8
169.01721	4.7
170.99608	5.4
177.00717	5.8
179.02356	1.4
180.92477	1.2
185.01199	2.2
187.02811	6.5
189.00676	8.2
199.02782	1.5
203.02281	2.7
215.02338	1.3
219.01720	35.7
223.02751	1.1
237.02763	95.3
240.03020	4.9
241.03748	18.6
243.01723	2.2
255.03822	7.4
259.04901	5.7
260.04385	1.5
261.02692	4.8
261.06509	1.2
279.03821	8.5
305.14087	2.1
323.15320	5.3
337.21432	1.8
355.22772	1.9
357.17297	6.4
359.18872	1.5
365.16290	10.3
366.16998	2.9
367.19119	1.8
373.23557	3.0
375.18433	5.0
383.17847	9.8
385.16626	2.7
401.16000	2.8
401.20563	1.8
403.17731	5.7
411.18506	5.0
417.19559	1.4
419.17007	4.1
421.18942	2.0
427.17209	2.0
429.19501	7.7
441.94815	1.4
445.18591	6.2
447.20313	2.4
463.19864	4.7
471.20490	7.3
489.21527	16.4
717.31140	6.8
733.30676	2.9
735.32489	9.3
759.32098	5.6
777.33533	100.0
778.33191	1.8
795.34222	1.8
837.35388	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	836.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	96.4
69.03394	5.4
69.07041	24.8
78.88189	4.3
79.05468	70.1
81.03394	5.4
81.07037	83.7
83.04974	9.2
83.08610	19.2
91.05468	54.3
93.07007	77.5
95.04957	42.2
95.08582	64.7
97.10141	11.7
105.07024	45.6
107.04948	22.9
107.08582	39.2
109.06503	43.0
109.10142	20.2
117.06995	19.2
119.08570	25.8
120.34739	4.4
121.06554	7.3
121.10102	22.9
123.04419	7.3
125.09581	5.3
129.07011	9.1
130.03656	4.3
131.08551	27.6
133.06482	5.5
133.10068	10.4
135.08018	29.0
135.11652	7.7
137.05974	9.6
137.09537	5.4
145.06490	4.9
145.10106	8.6
147.08054	4.9
151.07562	5.5
155.82626	5.4
159.07953	6.3
161.05949	6.7
161.09564	5.0
219.74506	5.7
267.60550	5.7
274.47507	6.1
287.16382	18.8
305.17441	22.2
335.25757	61.9
379.20999	74.9
639.42377	100.0
749.57422	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	834.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.8
67.05489	70.7
69.03427	7.6
69.07047	20.1
71.04972	4.4
71.08617	38.5
72.74870	1.0
73.02900	2.7
73.75935	0.9
79.05472	45.9
81.03400	5.7
81.07036	71.5
83.04958	2.4
83.08604	17.3
84.57172	1.0
85.02872	3.3
85.06525	1.6
85.10167	21.9
89.06003	2.0
91.05448	21.2
93.07024	46.4
95.04945	4.7
95.08585	69.8
97.02900	2.5
97.06481	2.2
97.10159	9.0
99.04436	6.4
99.69580	1.2
105.07007	15.5
107.08566	27.2
109.02857	9.8
109.10133	33.9
110.03660	2.1
111.04420	6.2
111.08067	1.1
111.11726	1.9
117.07004	7.1
119.08546	12.7
121.10118	25.2
123.11669	9.6
127.03944	2.1
131.08551	15.4
132.99530	2.4
133.10130	10.5
135.11633	16.3
137.13274	2.0
145.10104	8.8
147.11638	9.0
149.13197	7.4
159.11693	5.6
161.13214	7.2
163.14801	4.9
173.13225	6.2
175.14873	1.1
187.14868	2.3
191.00084	1.7
239.23669	7.7
243.20924	8.4
257.24716	2.4
261.22070	32.0
313.27301	100.0
314.27988	1.4
317.24664	2.6
335.25735	70.1
465.24954	4.3
539.28845	11.0
561.27075	17.8
573.48694	42.6
591.49402	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	832.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06108	21.0
61.02888	6.7
62.53196	4.4
63.15226	4.7
67.05501	31.3
69.07052	5.8
79.05472	30.0
81.07030	31.2
82.06562	7.8
84.04484	9.3
84.08111	5.5
88.70950	4.7
91.05431	21.2
93.07045	11.9
94.06538	22.9
95.08589	22.6
99.42082	5.1
102.83268	5.7
105.06969	10.3
107.08572	9.1
114.53197	5.5
119.08642	5.5
127.23050	4.7
141.25763	6.7
145.10143	5.7
313.40854	5.6
353.13681	5.9
375.73920	5.4
430.45352	5.5
670.50244	100.0
832.56030	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	834.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	6.9
64.33266	1.3
67.05495	15.2
69.03416	13.7
69.07052	62.9
71.04972	5.0
71.08310	1.5
71.08621	21.6
73.02883	5.8
79.05481	2.3
81.03397	7.3
81.06593	2.4
81.07039	44.6
83.08110	2.7
83.08606	55.8
85.02890	100.0
85.06554	2.5
85.10153	12.3
86.03166	1.2
87.04448	2.4
87.46909	1.2
91.03928	6.6
91.05464	1.5
93.07017	7.7
95.08010	2.1
95.08585	53.9
97.02863	22.0
97.10155	33.9
99.04476	1.7
99.08083	3.3
105.07019	6.2
107.08578	9.1
109.02876	12.5
109.10136	34.0
111.08046	2.3
111.11706	28.5
113.06039	1.7
116.98592	1.4
119.08575	2.3
121.10110	4.9
123.11695	18.4
125.13251	15.5
127.03902	22.4
129.12729	1.4
131.08507	3.1
133.10101	6.3
137.13245	5.7
139.14781	6.0
143.08525	1.5
145.04935	26.3
145.10097	5.9
147.04413	1.6
147.11690	2.4
149.13249	2.2
151.14760	6.3
157.15823	1.9
159.11671	2.3
161.13190	3.1
163.05972	7.1
165.16312	2.0
169.15794	1.6
173.09653	1.3
196.53899	1.2
213.22124	5.2
237.02864	1.6
277.28879	2.3
281.22559	2.4
283.29849	6.3
289.09225	1.9
295.29886	47.2
313.30792	12.6
313.34100	1.3
325.11328	18.4
327.19232	1.8
421.32901	2.4
439.34314	2.4
457.34750	2.6
475.35999	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	831.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92253	1.7
60.04142	1.4
61.02917	4.1
64.09420	1.6
67.05486	7.3
69.03428	2.5
69.07069	2.2
73.02905	2.5
74.40770	1.6
74.58379	1.6
79.05506	1.8
81.07047	8.7
85.02876	3.5
91.03978	2.0
91.05475	3.0
93.07030	4.0
95.08583	3.8
97.02896	3.2
99.23170	1.9
109.10132	1.9
130.89687	1.7
143.85423	1.8
243.08324	2.2
316.51743	2.1
333.20374	2.7
521.30939	8.8
551.28339	2.5
652.33136	2.1
673.42737	2.1
681.43109	2.6
831.51880	100.0
832.52118	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	831.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31181	1.1
61.02905	7.3
67.05494	10.1
69.03429	2.5
69.07062	2.0
73.02891	2.0
79.05476	4.9
81.03394	2.3
81.07037	9.4
85.02898	6.9
91.03932	4.5
93.07012	4.7
95.08599	7.1
97.02881	4.4
105.07053	2.0
107.08582	1.8
108.02617	1.1
109.10152	1.7
123.37341	1.0
147.22421	1.3
185.04251	1.4
243.08359	2.4
521.30841	4.4
551.28412	2.4
830.51166	1.6
831.52100	100.0
832.52155	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	830.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	0.6
60.04498	0.5
61.02913	9.8
63.39156	0.5
67.05484	6.9
69.03414	24.6
69.03796	0.8
69.07057	6.6
71.01312	0.5
71.04964	3.7
73.02899	5.2
79.05466	4.9
81.03390	11.6
81.06582	1.2
81.07032	17.0
83.01333	0.6
83.04960	3.6
83.08597	3.5
85.02886	100.0
85.06519	0.9
86.03210	0.9
87.04453	3.1
91.03941	3.9
91.05449	7.1
92.08561	1.1
93.07018	16.4
95.04955	1.4
95.08585	21.9
97.02866	33.6
97.06496	2.2
97.10148	2.9
98.06055	0.6
99.04418	4.6
103.03916	0.9
105.07008	19.8
107.08572	27.1
109.02865	11.1
109.06511	1.2
109.10127	17.3
111.08072	2.6
115.03864	0.9
117.06969	2.5
119.08553	23.9
121.06493	1.2
121.10105	17.2
123.08041	1.2
123.11694	9.0
125.09619	4.3
127.03886	22.0
131.08539	10.1
133.10104	22.8
134.38864	0.6
135.08058	0.9
135.11667	8.7
137.09613	2.3
137.13297	0.9
143.08560	3.9
144.06560	3.2
145.02913	1.0
145.04938	20.3
145.10095	24.0
147.04396	2.4
147.07983	0.7
147.11661	13.8
149.09544	0.8
149.13223	7.9
153.09091	1.2
156.09233	0.8
157.10069	6.1
159.11658	14.2
161.09566	2.4
161.13243	8.8
163.05983	4.6
163.11153	1.4
163.14775	8.1
165.09068	0.9
167.10635	0.7
169.10114	2.1
170.10860	0.7
171.11668	4.2
172.12328	0.6
173.13202	13.3
175.11221	1.3
175.14792	14.5
175.16148	0.9
177.05380	0.9
177.12724	0.8
177.16345	10.0
179.94716	0.6
181.04950	0.8
183.11655	1.2
184.12405	0.9
185.13232	3.2
187.14772	26.2
189.12744	1.2
189.16348	18.8
191.14241	4.9
191.17877	6.9
197.13210	1.3
199.14771	6.5
201.12621	0.6
201.16321	17.8
203.14317	3.3
203.17897	17.9
205.12320	1.1
205.15837	37.8
207.17397	2.4
211.14812	0.7
211.16792	0.6
213.16347	10.3
215.14494	0.7
215.17883	8.8
217.15875	1.4
217.19458	1.0
219.17400	5.2
221.15382	2.3
223.16888	2.2
225.16367	1.0
229.15779	1.0
229.19438	1.3
233.19196	0.6
235.16928	2.2
239.17976	1.1
241.19525	2.3
247.16905	3.1
249.18564	2.7
253.19603	0.8
255.20993	1.1
261.18607	0.9
267.20859	1.1
269.22577	0.9
281.22543	0.7
292.85162	0.6
296.14084	0.6
324.12766	1.2
341.24631	0.8
377.32144	1.0
379.33588	0.9
389.32126	5.0
395.33182	2.7
399.98099	0.6
407.33078	16.9
408.32791	0.7
409.34570	2.8
423.32581	3.1
425.34280	5.0
435.32648	9.4
441.34131	1.8
443.35052	5.6
453.33612	42.0
454.33820	2.1
471.34766	4.9
489.35794	0.7
610.14911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15749	0.6
59.04979	0.7
60.29042	0.6
61.02913	9.1
67.05482	6.7
67.52187	0.6
69.03413	23.9
69.07050	5.2
71.04953	3.6
73.02879	3.5
78.03986	0.7
79.05466	5.5
81.03401	11.6
81.07029	18.3
83.01308	1.4
83.04974	1.7
83.08599	4.5
85.02887	100.0
85.06518	1.2
86.03214	2.9
87.04434	3.0
87.59373	0.8
91.03940	3.4
91.05457	7.2
93.07011	14.9
95.04924	3.1
95.08106	0.7
95.08579	31.1
97.02861	32.1
97.10099	1.1
98.06014	0.7
99.04424	4.9
103.04800	0.7
103.05421	0.7
105.06343	1.5
105.07006	19.6
106.07362	0.7
107.01198	0.7
107.08571	26.5
109.02868	12.4
109.06496	1.2
109.10134	17.3
111.08048	1.7
115.03912	1.3
117.06993	3.2
119.08552	25.8
121.06466	1.0
121.10115	17.3
123.08051	1.7
123.11713	5.6
125.09598	7.8
127.03876	21.2
131.08527	11.4
133.10112	19.8
135.08047	1.0
135.11679	9.2
137.05922	1.5
137.09628	1.3
143.08548	4.4
144.06531	2.9
145.02756	1.3
145.04939	17.4
145.10104	25.6
147.07954	0.9
147.11662	16.9
149.09590	1.4
149.12193	0.9
149.13206	6.1
151.11183	1.1
157.10103	6.1
159.11662	16.0
160.12169	0.9
161.09673	1.0
161.13217	13.0
162.76988	0.8
163.06059	5.8
163.07352	1.1
163.11108	1.0
163.14813	8.0
165.09108	1.3
167.06985	0.8
169.10143	0.8
171.11653	5.0
172.12466	0.9
173.13217	15.2
174.13626	1.1
175.11087	1.0
175.14777	16.7
177.05394	1.4
177.09038	1.0
177.12683	1.3
177.16359	10.8
180.08626	1.2
181.04854	0.8
183.11644	1.4
185.13206	3.7
187.14775	23.4
189.16359	15.9
191.14285	11.1
191.17899	5.1
199.14735	5.6
201.16315	14.4
201.85468	0.9
203.14270	5.7
203.17938	16.2
205.15851	22.8
207.17451	0.9
213.16295	5.6
215.17870	9.0
217.15712	2.6
219.17410	4.1
221.15289	1.2
223.16876	1.1
227.18005	1.5
229.15901	1.4
229.19417	1.0
231.17574	1.0
235.16873	1.4
241.19493	1.0
247.16866	4.0
249.18465	0.9
253.19348	0.8
261.18591	1.7
267.20947	1.0
319.24149	0.8
324.12729	1.6
325.11298	1.2
335.13010	0.7
379.33530	0.9
389.31805	3.6
395.28909	1.3
407.27847	0.9
407.32999	20.1
423.32388	3.1
424.32809	0.9
425.33859	3.4
435.32742	12.3
441.33487	3.8
443.35193	7.2
452.32379	1.2
453.33557	48.9
471.34393	3.7
489.35379	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20621	0.2
61.02914	5.4
65.86137	0.3
67.05486	4.6
69.03421	3.4
69.07046	1.9
71.04993	0.3
72.10025	0.3
73.02905	3.8
73.91163	0.3
76.51872	0.3
79.05472	4.0
81.03406	1.9
81.07042	5.4
84.49341	0.3
85.02895	4.4
91.03948	3.1
91.05447	2.7
91.37415	0.3
93.07024	3.5
95.04951	0.5
95.08582	4.4
97.02876	4.9
97.06487	0.3
97.10125	0.3
99.04427	0.6
101.02380	1.2
105.06981	2.0
107.08584	2.4
109.02870	0.4
109.10132	0.7
111.08083	0.3
117.07024	0.5
119.08568	1.3
121.10151	1.8
127.03913	1.7
131.08554	0.7
133.10185	0.3
134.28828	0.3
135.11739	0.7
141.69841	0.3
145.10071	0.4
147.11697	0.5
149.13303	0.4
159.11694	0.3
185.04208	0.4
198.60988	0.3
203.05289	0.4
233.93948	0.3
243.08257	2.1
301.09021	0.4
333.20300	2.3
430.98798	0.3
519.29144	6.6
551.28119	3.7
591.31805	0.5
829.50525	100.0
830.51025	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	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	5.9
61.28877	0.8
64.33009	0.8
66.32298	0.9
67.05488	6.5
69.03415	4.5
69.07052	2.0
71.01340	1.0
73.02910	5.6
79.05490	5.1
81.03391	1.3
81.07030	8.4
85.02888	8.9
88.55580	0.9
91.03941	1.2
91.05473	1.9
93.07038	5.1
93.59556	0.8
95.04980	0.9
95.08613	4.2
97.02878	6.2
99.04443	1.4
100.87575	0.9
101.02410	1.7
105.07036	1.0
107.08621	1.7
109.10176	1.4
119.08562	1.1
121.10122	1.2
135.11696	1.1
157.53336	1.0
211.96886	1.0
243.08420	1.2
333.20343	11.4
335.25656	1.1
519.29138	6.7
551.28070	5.1
828.49542	6.0
829.50421	100.0
830.50439	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	829.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	6.7
65.86449	0.3
67.05492	5.7
69.03413	3.1
69.07055	1.6
69.50382	0.3
71.04974	0.5
73.02901	4.1
79.05474	5.6
81.03399	2.3
81.07034	6.3
83.04958	0.6
83.08624	0.4
85.02883	5.7
91.03912	2.5
91.05466	3.0
92.09173	0.7
93.07016	4.6
95.04964	0.5
95.08578	3.8
97.02859	5.1
97.06516	0.3
99.04430	0.6
101.02330	2.2
103.03909	0.3
105.07005	2.4
107.08572	2.3
109.02895	1.3
109.06545	0.5
109.10172	1.6
115.03932	0.4
117.07000	0.4
119.08573	1.9
121.10153	1.4
127.03917	1.6
131.08556	1.7
133.10132	0.5
135.11671	0.6
143.08620	0.3
145.10106	0.4
159.11688	0.4
159.88643	0.3
185.04202	0.5
229.31078	0.3
243.08395	2.9
277.00739	0.3
333.20334	3.6
335.26169	0.5
453.20981	0.4
467.21884	0.4
519.29163	6.1
551.28229	3.7
829.50513	100.0
830.50946	4.9
831.92609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.2
62.20205	3.2
67.05477	15.4
69.03413	15.0
69.07056	17.2
71.04983	3.3
79.05471	5.8
81.03363	5.1
81.07038	29.8
83.08617	15.6
85.02895	71.5
91.05460	6.7
93.07037	22.0
95.08586	36.3
97.02885	25.8
97.06510	3.7
105.07010	21.8
107.08576	39.5
109.02834	6.2
109.06506	14.8
109.10158	43.5
111.08083	4.6
111.77601	4.0
113.05978	5.2
119.08577	29.9
121.10126	76.0
123.08053	6.0
123.11668	6.4
127.03903	14.7
131.08513	4.7
133.10091	33.7
135.11671	20.7
137.09529	6.7
143.08484	5.7
145.04951	5.8
145.10066	27.4
147.11670	22.2
149.09601	5.1
149.13246	7.0
157.10129	8.6
159.11633	25.8
161.13240	19.7
163.14748	6.9
169.10037	5.1
171.11687	8.4
173.13199	17.8
175.14775	20.3
176.25693	3.9
183.11671	7.5
185.13210	7.5
187.14813	24.0
189.16428	7.0
193.15694	5.3
195.11531	4.7
197.13222	17.0
199.14816	7.9
201.16354	6.9
203.17908	7.8
209.13191	8.7
213.16455	14.2
225.16231	3.8
229.19554	4.4
238.32127	3.9
251.18001	4.8
253.19365	5.6
253.42464	3.9
257.22641	6.6
303.23148	6.1
319.24051	6.2
334.28970	3.8
343.22620	6.9
351.26028	3.7
365.24570	5.5
387.29965	6.4
405.31244	24.4
423.32239	25.5
433.30850	17.7
436.29062	4.2
443.31525	14.6
451.32028	47.5
469.33041	100.0
487.34018	5.2
640.33258	4.3
641.57629	4.2
732.58356	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.2
64.32774	1.4
67.05486	7.6
68.05841	2.1
69.03423	1.9
73.02879	2.3
79.05472	6.5
81.07041	8.0
85.02888	3.7
91.05495	2.4
93.07024	6.0
95.08604	6.6
97.02839	1.7
117.47960	1.6
145.99933	1.7
157.02307	1.5
189.60483	1.5
292.44424	1.7
434.87204	1.7
783.45313	2.1
828.49390	24.4
829.48895	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	828.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	9.7
67.05493	6.0
69.03413	20.7
69.07034	3.8
71.04969	3.9
73.02885	3.1
76.22065	0.8
79.05457	5.9
81.03390	9.7
81.07034	12.1
83.04948	4.0
83.08576	1.3
85.02885	100.0
87.04480	0.8
91.03939	5.8
91.05473	7.6
93.07020	11.3
95.04939	1.8
95.08577	16.0
97.02870	31.8
97.06531	0.9
99.04422	4.6
105.07014	14.0
107.08566	15.3
109.02850	10.6
109.06490	4.1
109.10152	7.8
111.04420	0.9
111.08071	1.6
115.03872	1.2
117.06976	1.9
119.04906	5.5
119.08556	22.1
121.06477	3.1
121.10123	11.8
123.08000	1.0
123.11657	5.7
125.09603	5.1
127.03889	18.1
129.06955	1.2
131.04898	1.1
131.08553	14.5
133.06477	1.2
133.10110	14.5
135.08080	0.9
135.11662	5.8
137.05951	1.8
137.09576	3.4
142.07722	0.9
143.04924	0.7
143.08517	5.3
144.06520	1.6
145.04930	17.8
145.10101	22.2
147.04405	5.9
147.08000	0.8
147.11642	9.6
149.13205	3.8
156.09251	0.9
157.10068	6.8
158.10817	0.9
159.11667	14.2
161.13171	7.8
162.07588	0.9
163.05981	3.2
163.07524	0.8
163.11169	1.3
163.14771	5.2
167.06969	1.7
169.10088	1.5
170.10950	0.8
171.11633	7.1
173.13202	12.9
174.20766	0.9
175.03857	7.0
175.11205	0.8
175.14780	11.9
177.05472	1.7
177.16324	3.6
183.11697	3.3
184.12430	1.1
185.13251	8.2
187.14789	23.0
189.16327	6.3
191.14299	7.3
191.17899	1.7
193.15912	1.2
197.13229	3.5
199.14813	9.7
201.12753	1.5
201.16345	21.5
203.14229	4.2
203.17905	9.8
205.15810	12.5
207.06491	9.6
209.13474	1.0
209.15251	2.2
211.14722	1.0
213.16394	8.2
215.14233	1.7
215.17905	1.9
217.15794	1.8
219.17354	3.0
221.15273	3.2
227.18018	0.9
229.15784	1.0
231.17339	1.0
247.16951	3.7
251.23793	0.8
259.16821	1.5
261.14716	1.2
339.23087	0.9
369.11786	1.3
405.31406	13.1
421.30856	1.7
423.32358	5.2
433.30841	9.7
439.31781	1.1
441.33548	6.9
451.31903	40.4
469.32828	4.9
487.34354	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	11.0
61.02890	2.8
67.05494	23.2
68.46880	0.9
69.03416	56.3
69.07045	2.7
71.01358	1.1
71.04626	1.3
71.04958	10.6
75.04441	1.7
79.05455	5.4
81.03390	2.2
81.07044	11.8
83.04964	5.1
85.02890	47.6
85.06526	13.5
87.04453	27.9
91.05459	5.0
93.07014	7.5
95.04330	1.7
95.04947	47.1
95.08579	10.1
97.02875	40.7
97.06513	13.4
99.04437	2.4
105.07029	12.1
107.08579	11.3
109.02868	4.1
109.06497	5.3
109.10177	4.7
111.04424	2.5
113.05985	100.0
115.03905	29.6
119.08558	6.8
121.10094	6.3
123.11612	1.4
125.05918	6.4
127.03870	6.4
129.07010	1.7
131.08600	4.3
133.04958	19.5
133.10078	6.9
135.11642	2.1
137.05930	6.5
137.09627	1.2
145.04913	9.9
145.08572	17.0
145.10054	5.6
147.11661	8.3
151.07616	1.2
153.05399	8.6
155.06984	4.8
157.10135	1.7
159.11635	7.9
161.13168	2.2
163.05992	1.5
165.12709	1.8
167.25002	1.2
171.11627	2.6
173.13263	4.2
175.14786	5.5
181.10066	2.1
183.11629	1.7
185.13249	2.1
187.14781	1.3
189.16336	2.1
193.12138	1.3
195.11696	1.2
199.14896	1.5
201.16365	6.2
215.17957	1.8
219.17381	1.3
223.14706	1.8
245.10086	1.4
253.19420	1.3
257.10037	2.0
259.08063	2.4
291.21036	1.7
337.21545	10.3
337.27267	2.5
355.22644	19.4
373.23654	70.3
423.32819	1.6
469.32742	5.4
487.33493	1.5
517.31610	14.6
628.39746	1.4
728.66956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	11.0
61.02890	2.8
67.05494	23.2
68.46880	0.9
69.03416	56.3
69.07045	2.7
71.01358	1.1
71.04626	1.3
71.04958	10.6
75.04441	1.7
79.05455	5.4
81.03390	2.2
81.07044	11.8
83.04964	5.1
85.02890	47.6
85.06526	13.5
87.04453	27.9
91.05459	5.0
93.07014	7.5
95.04330	1.7
95.04947	47.1
95.08579	10.1
97.02875	40.7
97.06513	13.4
99.04437	2.4
105.07029	12.1
107.08579	11.3
109.02868	4.1
109.06497	5.3
109.10177	4.7
111.04424	2.5
113.05985	100.0
115.03905	29.6
119.08558	6.8
121.10094	6.3
123.11612	1.4
125.05918	6.4
127.03870	6.4
129.07010	1.7
131.08600	4.3
133.04958	19.5
133.10078	6.9
135.11642	2.1
137.05930	6.5
137.09627	1.2
145.04913	9.9
145.08572	17.0
145.10054	5.6
147.11661	8.3
151.07616	1.2
153.05399	8.6
155.06984	4.8
157.10135	1.7
159.11635	7.9
161.13168	2.2
163.05992	1.5
165.12709	1.8
167.25002	1.2
171.11627	2.6
173.13263	4.2
175.14786	5.5
181.10066	2.1
183.11629	1.7
185.13249	2.1
187.14781	1.3
189.16336	2.1
193.12138	1.3
195.11696	1.2
199.14896	1.5
201.16365	6.2
215.17957	1.8
219.17381	1.3
223.14706	1.8
245.10086	1.4
253.19420	1.3
257.10037	2.0
259.08063	2.4
291.21036	1.7
337.21545	10.3
337.27267	2.5
355.22644	19.4
373.23654	70.3
423.32819	1.6
469.32742	5.4
487.33493	1.5
517.31610	14.6
628.39746	1.4
728.66956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	8.6
60.57606	1.0
61.02914	7.3
64.33767	0.9
65.03905	1.5
67.05492	27.0
69.03416	64.3
69.07056	12.2
71.04980	8.5
72.06434	1.0
73.02897	4.3
79.05476	14.3
81.03400	11.1
81.07035	9.6
83.04954	5.1
83.08613	3.9
85.02889	67.3
85.06522	8.0
87.04449	17.0
91.03955	1.4
91.05468	4.8
92.09356	1.7
93.07033	10.2
95.04948	53.7
95.08583	9.7
97.02872	33.8
97.06509	66.7
99.04449	2.5
103.04028	1.0
105.07024	7.8
107.04941	4.9
107.08566	12.4
109.02876	3.9
109.06514	5.1
109.10155	5.7
111.04414	4.8
113.05989	100.0
115.03897	14.2
115.05464	1.1
115.07558	4.3
117.06985	4.4
119.04947	1.1
119.08563	13.5
121.06513	1.4
121.10125	13.1
123.04400	1.7
123.11679	1.5
125.05983	5.6
126.38512	1.1
127.03884	12.2
127.07523	4.0
131.08546	9.1
133.04955	9.6
133.10109	11.6
135.08043	1.9
135.11671	7.0
137.05939	5.0
137.09612	1.2
139.07532	1.2
142.07715	1.1
143.08574	1.8
145.04941	15.2
145.06018	1.1
145.06543	1.4
145.08592	9.3
145.10120	9.7
147.11687	6.4
149.05998	1.5
149.09612	1.8
151.07454	1.8
153.05438	4.7
155.07079	2.0
155.08510	1.1
157.10153	6.1
159.08038	1.1
159.11696	7.2
161.13222	6.7
163.07487	1.6
163.11198	1.7
165.05365	1.5
167.07098	8.3
169.10213	1.4
171.11664	5.0
173.05899	1.2
173.13229	6.8
175.07513	1.5
175.11124	1.0
175.14763	12.7
177.12744	3.9
181.04965	1.8
183.11703	2.4
185.13191	4.9
187.14777	6.1
189.07544	4.2
189.16360	2.3
191.06987	1.6
191.14218	1.1
193.15910	6.0
195.11607	1.4
197.13237	4.3
199.14790	4.7
201.16376	7.7
203.14336	4.3
205.08633	1.2
205.15820	2.3
209.13367	1.1
211.14819	1.4
213.16515	1.5
215.17879	1.5
223.14700	1.2
223.16853	1.2
225.16310	1.3
227.17992	1.5
235.14830	1.5
239.09114	1.4
241.12357	1.2
245.10016	1.2
251.61615	0.9
257.07312	1.0
257.10162	4.6
259.07922	1.4
275.11166	17.0
296.56058	1.1
301.21701	1.0
337.21573	5.2
355.22540	12.1
373.23651	30.7
405.31741	2.0
407.32651	1.3
415.86267	1.2
423.32397	4.5
433.30899	4.0
451.32019	11.5
469.33237	9.5
517.31488	1.7
525.92639	1.0
565.20117	5.2
723.62042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	15.9
61.02905	5.7
65.03893	1.1
67.05490	27.3
69.03413	75.6
69.07059	1.8
71.04972	14.8
73.02899	2.1
75.04472	2.7
79.05466	5.2
81.03390	7.7
81.07041	8.3
83.04978	2.7
85.02889	82.9
85.06516	14.4
87.04449	38.3
91.03877	1.2
91.05466	2.8
93.07042	6.4
95.04946	50.3
95.08577	11.7
97.02871	57.5
97.03497	2.6
97.06524	16.3
99.04431	6.2
101.05970	1.2
103.03901	1.2
105.07028	9.7
106.46725	1.1
107.08549	9.3
109.02858	2.8
109.06491	3.0
109.10165	5.5
111.04417	10.6
113.05988	100.0
115.03903	43.5
119.08569	9.7
121.10129	6.6
123.08006	1.8
123.11666	1.5
125.05977	1.6
127.03889	11.5
131.08551	1.8
133.04938	26.0
133.10136	6.5
135.11682	4.8
137.05952	6.2
143.08531	2.1
145.02827	1.4
145.04970	14.5
145.08578	26.1
145.10094	7.3
147.11674	6.6
149.13249	2.8
155.08470	1.2
157.10130	1.6
159.06491	1.9
159.11673	3.0
161.13283	3.0
163.06013	1.9
163.14738	1.6
173.13280	6.1
175.14769	11.1
177.05412	2.0
187.14795	2.2
189.07562	2.1
189.16400	5.0
191.14272	16.1
196.80568	1.2
201.16304	2.6
203.17969	2.8
227.09105	1.6
245.10196	5.1
257.10077	1.7
259.08115	5.6
275.11133	4.6
295.10181	4.9
355.22858	2.8
357.32794	1.4
373.23645	50.5
373.28326	1.7
374.23505	1.6
423.32462	9.2
441.33521	11.7
451.32056	2.5
469.33258	5.2
555.28638	1.6
571.26105	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01810	1.6
61.02910	2.0
67.05489	13.9
67.16013	2.1
69.07055	2.1
81.07035	3.8
87.16303	2.4
89.54239	1.9
93.06997	2.3
109.10152	11.8
162.65419	1.9
229.14369	9.5
260.57663	2.3
313.27277	4.0
318.69952	2.4
467.37207	3.1
468.37494	9.2
663.47430	12.1
827.52136	100.0
837.05206	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	828.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	6.6
60.04515	1.4
61.02909	4.0
69.03412	89.6
71.04967	1.6
73.02900	3.9
75.04465	4.0
81.03395	4.8
83.08583	6.7
85.02886	95.1
87.04446	70.0
91.03918	3.6
97.02867	80.4
99.04453	2.1
101.02335	1.1
101.09648	4.4
103.03896	1.6
105.07023	11.8
109.02861	6.4
115.03905	100.0
119.08577	1.0
123.04439	1.2
127.02950	1.5
127.03872	17.8
132.40663	0.9
133.04935	83.1
136.97495	0.8
137.05983	1.3
145.04939	26.7
147.04396	1.4
147.08017	1.4
148.59595	1.1
150.07594	17.0
163.03902	1.0
163.05956	7.9
167.07037	1.1
169.04948	1.9
177.05396	1.1
181.04977	1.3
187.06158	1.1
189.09052	3.5
201.09114	1.8
211.63777	0.8
219.10138	1.3
223.05986	4.0
233.13927	1.2
241.07050	3.5
255.12183	10.0
259.08038	14.7
277.09109	4.3
285.13214	19.2
295.10153	23.3
302.16031	2.1
368.04050	0.9
376.70700	0.9
434.14496	1.5
434.20142	22.6
480.86877	0.9
618.05786	0.9
814.19604	1.1
841.65900	1.1
841.80371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	5.6
67.05493	7.6
69.03417	3.9
69.07055	2.2
71.04999	0.3
71.08617	0.6
73.02902	4.0
76.43430	0.3
79.05477	6.9
81.03412	2.8
81.07035	7.3
83.04962	0.5
83.08592	0.6
83.96774	0.4
85.02888	5.2
85.06554	0.4
91.03957	2.5
91.05463	3.4
92.09344	0.4
93.07030	5.8
95.04937	0.8
95.08572	5.1
97.02878	5.6
97.10165	0.8
99.04466	0.3
101.02352	2.8
105.07021	3.1
107.08580	2.8
109.02891	0.4
109.06483	0.9
109.10171	2.2
117.07014	0.7
119.08604	1.7
121.10136	2.0
123.11613	0.5
127.03899	1.8
131.08575	0.7
133.10106	0.8
135.11705	1.5
145.10135	0.6
147.11707	0.8
149.13271	0.6
185.04301	0.7
201.06126	0.4
243.08452	1.8
279.65109	0.4
291.19620	0.7
331.18918	2.1
335.25873	2.5
351.25211	0.6
387.21106	0.5
513.39343	0.5
519.29156	6.0
549.26874	3.2
612.47534	1.5
827.48987	100.0
828.49438	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.4
64.44229	1.0
65.25523	0.9
67.05493	7.3
68.70016	1.1
69.03417	1.6
69.07053	2.1
70.13277	1.1
73.02889	4.2
78.69682	1.1
79.05490	6.6
81.03431	1.2
81.07056	8.3
85.02900	5.9
88.53948	1.2
89.67673	1.1
91.03944	2.7
91.05482	4.8
92.09369	1.4
93.07037	5.4
95.04964	1.3
95.08611	4.9
96.92194	1.0
97.02861	4.4
101.02355	1.5
101.81731	1.1
105.07054	1.1
107.08589	6.1
119.08589	1.9
127.03879	1.0
131.08490	1.0
136.85658	1.1
140.71698	1.0
161.45001	1.2
209.22353	1.3
299.63983	1.3
331.18820	4.3
336.26233	1.7
363.42984	1.2
431.40964	1.5
519.29553	6.7
549.26709	8.7
749.13904	1.2
785.97394	1.2
827.48987	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	827.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.2
64.32995	1.9
67.05489	1.6
67.82909	1.7
79.05471	3.6
91.05472	2.1
95.08630	2.1
123.33868	2.0
133.10168	2.0
138.66457	1.9
138.87068	2.0
177.76302	1.9
233.41563	1.8
293.40604	1.7
305.93301	1.8
490.41672	2.1
535.28259	2.4
663.47449	13.2
827.51929	100.0
847.05725	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	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52417	0.5
61.02918	8.2
67.05492	17.6
69.03423	4.6
69.07059	5.5
73.02902	4.8
79.05484	12.1
79.05902	0.8
81.03421	2.8
81.07043	16.2
83.04993	2.8
83.08632	2.4
85.02898	6.6
91.03961	3.0
91.05463	8.6
92.08699	1.0
93.07028	11.1
95.04957	1.2
95.08580	11.9
95.09122	0.6
96.08968	0.8
97.02890	6.6
97.06525	1.3
97.10188	2.2
99.04449	0.5
101.02367	1.3
105.07014	5.7
107.08580	6.1
109.02854	0.7
109.10140	5.9
117.07043	2.3
119.08553	5.2
121.10145	4.0
125.32066	0.6
127.03912	1.2
131.08591	2.9
133.10120	4.8
135.11728	2.1
137.09563	0.7
145.10127	2.2
147.11707	2.2
157.10106	0.6
159.11740	1.2
162.28456	0.5
163.14740	0.5
187.98790	0.6
229.14287	0.6
243.08478	3.2
247.20560	0.7
261.22141	0.6
275.00830	0.6
275.20032	1.1
331.18738	6.7
335.25903	0.7
337.27435	3.0
338.27603	1.2
347.33408	0.6
372.34387	0.6
395.75439	0.6
405.91440	0.6
441.13916	0.7
519.29144	7.0
529.39569	0.7
549.26465	2.8
611.46564	0.9
612.47034	0.9
827.49017	100.0
828.49316	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	827.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22302	0.6
61.02919	7.8
62.37386	0.6
67.05491	26.5
68.05813	0.9
69.03405	6.1
69.07051	9.5
73.02907	5.6
79.05476	15.1
80.05798	0.8
81.03407	4.1
81.06562	0.9
81.07037	26.9
82.07385	1.6
83.04977	6.0
83.08614	3.7
84.58379	0.8
85.02887	8.6
85.06546	1.0
85.84235	0.7
91.03934	3.5
91.05453	10.8
92.05779	0.9
93.07020	13.8
95.04949	2.8
95.08581	13.2
97.02863	6.4
97.06519	1.4
101.02374	1.8
105.07018	10.7
106.07333	0.9
107.04925	0.8
107.08585	9.8
109.02918	1.0
109.06512	1.2
109.10139	6.8
117.07033	1.7
119.08564	9.2
121.06528	0.8
121.10149	5.7
123.11706	1.3
129.07050	0.8
131.08565	3.4
133.10138	5.0
135.11697	3.4
143.08595	0.8
145.10155	2.9
146.44659	0.8
147.11670	3.0
149.13261	1.3
159.11734	0.9
172.68211	0.7
173.13269	0.8
180.54436	0.8
217.38593	0.9
243.08437	2.9
269.17511	1.7
275.20200	1.6
276.20441	1.2
324.79776	0.8
331.18579	5.3
337.27292	8.8
338.27744	4.5
349.23627	1.1
429.18176	0.9
514.38904	0.7
519.29156	7.0
531.40356	3.7
532.40778	3.8
549.27032	1.3
571.43341	1.4
572.44031	1.0
611.46246	1.0
612.47021	1.1
769.44830	1.8
791.22144	0.9
809.48572	3.0
827.48987	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	826.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63987	2.9
67.05139	5.5
67.05489	100.0
69.03405	6.2
69.07055	35.4
70.95643	3.2
79.05485	62.2
80.54692	3.8
81.03397	3.8
81.07033	87.3
83.04939	3.9
83.08617	9.2
85.02917	4.0
91.05454	39.5
93.07026	49.2
95.04940	8.3
95.08573	61.0
97.06487	7.7
97.10133	6.0
98.09519	3.4
100.91227	3.6
105.06996	23.3
107.04946	4.4
107.08583	35.3
109.01772	4.6
109.06467	5.5
109.10136	38.5
117.06966	6.6
119.08574	7.8
121.10130	16.7
123.11674	3.8
131.08536	8.5
133.10103	23.2
135.08054	4.2
135.11688	6.1
143.08551	4.8
145.10124	6.9
147.11638	7.8
159.11610	6.4
170.33623	4.6
188.74886	3.7
229.14262	15.3
275.19894	6.3
336.25821	4.6
337.27200	45.0
349.23605	6.5
491.36954	23.0
531.40204	18.9
611.46472	23.6
630.93109	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	827.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	4.6
61.96467	0.9
65.03929	1.4
67.05490	26.2
69.03414	37.8
69.07047	4.4
71.04959	6.5
73.02916	1.4
79.05484	10.1
81.03384	7.3
81.07034	14.7
83.04955	3.7
83.08613	3.7
85.02888	33.9
85.06522	4.1
87.04444	1.3
91.05430	7.4
92.08871	1.6
93.07012	16.0
95.04945	39.0
95.08591	15.4
97.02866	9.7
97.06523	7.6
97.10165	1.0
102.57079	0.8
105.07016	17.9
107.04942	1.2
107.08584	15.7
109.02859	4.0
109.06463	1.1
109.10146	14.3
111.04418	1.7
113.05987	55.9
117.03311	1.9
117.07001	4.0
119.08562	18.5
121.06442	3.7
121.10130	9.3
123.11703	1.0
125.02345	5.2
127.03886	10.1
129.06960	3.7
131.08554	7.1
133.06488	1.3
133.10112	15.1
135.08110	1.2
135.11658	14.5
137.05972	2.0
137.09526	3.4
139.03908	4.7
139.07460	1.0
143.08548	7.1
145.02840	2.1
145.04912	7.5
145.10136	8.2
147.04449	1.0
147.08070	1.8
147.11673	12.3
149.05980	2.2
149.09590	1.1
149.13245	8.4
151.07532	1.1
153.05400	2.2
154.05037	1.2
155.08542	2.1
157.10109	6.4
159.11664	8.1
161.05887	1.2
161.13226	21.0
163.05983	1.9
163.07491	1.7
165.09059	0.9
167.06999	3.9
167.08417	1.5
169.10075	1.7
171.11687	3.9
173.13231	3.9
175.07489	2.1
175.14857	2.1
177.05505	2.0
177.09129	1.2
181.10065	1.9
183.11691	6.6
185.13231	3.6
189.09076	1.3
191.06815	1.1
195.11652	1.8
196.87857	0.9
197.13278	2.0
199.14816	1.8
201.12781	1.4
203.10600	4.7
209.13217	4.0
211.14825	1.5
213.16397	1.5
214.17062	1.2
215.17943	17.5
227.10539	1.7
229.12236	4.5
229.19487	6.2
241.12251	1.1
247.13501	1.2
255.13661	3.3
257.10172	1.2
273.14761	1.3
277.19418	1.6
291.21048	3.2
309.21927	3.5
311.19965	2.0
319.20407	1.6
327.23126	1.3
337.21603	24.1
355.22623	100.0
356.23462	1.0
373.23660	45.7
459.27463	1.6
541.34943	1.2
756.62140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.6
61.02909	22.0
67.05491	100.0
69.03399	2.2
69.07041	7.3
71.04965	3.5
71.08614	25.1
73.02905	3.7
81.03439	1.6
81.07040	23.1
83.08179	1.4
83.08589	14.1
85.02898	23.0
85.10172	12.3
85.10587	1.3
89.06001	1.8
91.03934	11.2
91.05463	6.3
93.07034	1.9
94.48487	1.4
95.08576	23.3
97.02872	11.8
97.10137	1.9
103.07580	1.6
107.08590	2.8
109.10141	99.2
111.08064	2.6
111.11682	2.3
119.08524	5.6
123.11714	2.3
137.09569	1.7
144.70921	1.6
145.04915	2.9
155.10672	3.3
163.05998	2.8
168.67316	1.4
173.11678	23.1
198.85864	1.5
229.14313	99.9
235.26593	1.5
239.23761	1.9
241.41112	1.4
257.06610	1.5
257.24860	2.0
313.23700	3.0
313.27316	93.1
441.12650	1.7
467.37213	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	826.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	14.1
61.02894	2.3
67.05143	1.4
67.05489	24.8
69.03416	63.9
69.07060	1.7
70.60084	1.1
71.04975	13.0
73.02884	2.4
75.04453	2.7
78.73286	0.9
79.05463	5.9
81.03390	7.2
81.07036	7.8
83.04960	5.1
85.02888	45.9
85.06527	14.5
87.04445	48.1
87.04974	1.8
91.03917	1.5
91.05457	6.0
92.60751	1.2
93.07029	5.8
95.04948	49.7
95.08595	2.3
97.02868	40.0
97.06504	15.0
99.04414	1.5
101.06014	1.5
105.07012	2.7
107.04962	1.4
107.08582	5.5
109.02872	1.9
109.06496	2.6
109.10102	1.8
111.04390	6.1
113.05986	100.0
115.03920	32.3
117.06945	1.6
118.69214	1.2
119.04830	1.2
119.08544	6.9
121.10132	1.6
125.05978	1.4
127.03889	6.4
129.06953	2.2
131.08507	6.6
133.04945	26.7
133.10077	1.9
135.11646	1.1
137.05937	2.8
145.04939	7.5
145.08580	23.7
145.10091	1.9
147.11664	2.3
151.07533	1.3
159.06468	1.9
161.13234	1.2
163.03893	1.2
163.05896	1.4
171.11568	1.4
175.07489	9.0
175.14766	7.3
187.14767	1.1
189.07452	1.9
223.05905	1.3
227.09044	1.4
245.10135	5.3
253.35773	1.2
257.09906	2.2
258.62030	1.2
259.08047	5.0
275.11118	1.4
295.10193	5.2
353.21066	2.2
371.17593	2.0
371.22092	55.4
372.22650	3.8
423.01727	1.4
540.10785	1.2
549.90503	1.2
553.27271	7.7
569.25214	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	8.5
61.02915	4.2
61.45347	0.2
65.03915	1.1
67.05486	20.1
69.03410	59.9
69.07047	9.1
71.01315	0.5
71.04971	7.7
73.02901	2.4
73.06534	1.6
75.04462	1.6
76.03553	0.3
79.05466	14.3
81.03391	7.7
81.07028	2.6
83.01331	0.5
83.04960	3.5
83.05808	0.3
85.02882	44.1
85.06521	4.0
87.04443	20.8
91.03930	2.6
91.05455	2.5
93.07011	2.3
95.04939	52.4
95.08569	0.5
95.66273	0.3
97.02863	27.1
97.06499	75.9
99.04415	3.0
99.08048	0.3
101.02364	0.4
101.05981	0.6
103.03904	0.3
105.04485	0.3
105.07008	1.6
107.04932	1.4
107.08567	1.5
109.02853	3.4
109.06476	3.0
109.10142	0.5
110.70686	0.3
111.04414	5.2
111.08058	0.4
113.05978	100.0
114.06322	0.4
115.03901	14.1
115.07546	4.4
117.06979	1.1
119.04897	0.4
119.08540	1.6
120.13303	0.4
121.06466	1.1
121.10097	0.4
123.04373	1.5
123.08063	0.4
125.02319	0.7
125.05955	0.6
127.03878	7.5
127.07498	3.9
129.06955	0.5
131.08519	1.9
133.04922	12.2
133.05992	0.4
133.06435	0.6
133.10083	0.6
135.04376	1.1
135.08012	0.5
137.05934	2.8
139.07497	1.5
141.05359	0.4
145.04926	6.6
145.08566	10.7
145.09785	0.5
147.08055	0.3
147.11699	0.4
149.05951	1.5
151.03938	0.3
151.07494	2.2
153.05429	0.3
154.78864	0.3
155.06984	1.7
157.08606	0.4
157.10023	0.4
159.06476	1.5
159.11662	0.5
163.05971	1.2
163.07442	0.6
165.05394	0.5
167.06998	0.7
171.06396	0.4
171.11555	0.3
175.07471	4.8
175.14746	0.6
177.09128	0.3
179.06961	0.5
181.08450	0.3
183.06454	0.4
189.07516	2.7
191.06967	0.3
193.08574	0.5
194.00993	0.3
201.07573	0.4
209.08017	1.8
211.09512	0.5
221.08058	0.7
227.09061	1.1
239.09056	4.1
245.10078	3.3
257.10138	4.3
259.07941	1.6
275.11169	18.5
295.10226	2.1
332.44672	0.3
335.20230	0.4
337.29419	0.3
353.20847	1.4
371.22064	21.5
372.22287	0.3
384.63028	0.3
407.15082	0.3
449.28568	0.4
456.21021	0.4
492.66083	0.3
561.35211	0.3
741.66357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91166	0.7
59.04966	0.9
61.02898	3.0
65.03920	1.7
67.05492	100.0
69.03400	7.6
69.06711	1.5
69.07055	28.4
69.22185	0.8
71.04962	4.4
71.49895	0.7
73.06538	0.8
74.57393	0.8
77.03894	1.1
77.27273	0.8
79.05473	76.7
81.03390	7.8
81.07037	96.6
83.04968	12.9
83.08606	11.5
85.02872	7.2
85.06501	3.9
91.05460	63.3
93.07023	82.4
95.04948	12.7
95.08584	56.7
95.09203	1.8
97.02851	4.2
97.06512	8.7
97.10146	3.9
99.04421	1.0
99.08062	1.4
103.05441	1.7
103.10086	0.8
105.04522	2.0
105.07014	49.3
107.04970	5.1
107.08578	42.0
109.02901	1.3
109.06511	8.5
109.10134	24.2
111.08075	6.9
115.05426	1.3
117.06990	22.0
118.92410	0.7
119.08563	30.6
121.06452	1.9
121.10117	28.1
123.08038	3.5
123.11707	6.7
123.59821	1.0
125.09577	1.6
127.03900	1.6
128.06259	1.2
129.07028	7.2
129.47858	0.8
131.08534	25.7
132.09355	1.0
133.10112	23.9
135.08023	3.4
135.11661	13.3
137.09602	1.2
141.06963	1.0
143.08539	7.2
145.10114	17.2
147.08031	1.6
147.11690	14.4
149.09607	6.3
149.13214	6.9
155.08505	3.8
157.10049	6.4
159.11670	15.2
161.13231	5.1
163.11182	1.8
163.14816	1.7
164.59802	1.0
165.12619	1.1
169.10109	1.6
171.11636	4.3
173.04443	1.1
173.11867	1.4
173.13159	6.6
175.11148	1.0
175.14777	1.4
177.12767	1.6
183.11659	4.5
185.13220	4.4
187.14796	3.7
195.13756	1.3
197.13226	1.9
199.14891	1.2
203.14320	1.3
211.14728	1.0
215.17923	1.2
219.17389	3.2
227.12547	1.0
229.14246	1.8
237.11198	0.9
239.17793	1.6
243.21213	1.3
255.15808	2.0
257.18921	5.9
259.20526	1.1
261.22107	4.7
269.17477	12.1
275.19992	17.0
280.44302	0.7
291.19452	1.5
293.20996	1.3
309.20633	5.2
331.22668	1.7
335.25739	58.7
336.25815	1.2
342.24677	0.9
349.23575	13.3
367.24622	3.4
489.35535	3.3
515.36902	5.4
529.38770	30.2
540.07117	1.0
543.40222	3.2
545.03778	1.0
569.41925	24.2
609.36664	1.3
609.45129	22.5
627.45703	4.0
762.64124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83587	0.9
61.02908	5.6
64.91488	1.0
65.03928	2.2
67.05494	95.1
69.03419	5.5
69.06707	1.9
69.07056	36.7
69.38874	0.9
69.71780	1.2
71.04973	4.6
75.26339	1.0
78.32751	0.8
79.05476	88.4
81.03412	7.7
81.07038	100.0
83.04973	7.2
83.08601	14.0
85.02890	8.3
85.06540	5.1
91.05461	60.9
93.07023	79.1
95.04943	11.6
95.08585	66.4
97.02879	5.6
97.06493	10.5
97.10146	17.9
99.08067	1.6
101.05976	1.4
103.05463	1.6
103.26534	1.1
105.04517	1.9
105.07014	56.1
107.04915	11.0
107.08579	52.6
107.09292	2.2
109.02839	1.6
109.06488	9.5
109.10149	28.8
111.08086	1.9
115.05420	1.2
117.06984	24.0
119.06091	1.4
119.08563	42.3
121.06517	4.9
121.10119	28.7
123.08047	5.8
123.11665	10.2
125.09631	10.8
127.03883	1.3
128.06166	1.7
129.06998	6.2
131.08539	31.2
133.10117	24.6
135.08037	4.6
135.11667	16.2
137.09593	2.2
141.06972	4.1
143.08542	8.5
145.06520	1.4
145.10112	24.3
147.08086	1.3
147.11679	22.2
149.09569	9.1
149.13246	6.8
153.09076	1.3
155.08554	4.1
155.10658	1.0
157.10089	7.5
157.40793	1.0
159.11650	16.0
161.09622	1.6
161.13246	8.5
163.11169	5.4
163.14824	1.6
169.10062	2.2
171.10249	1.3
171.11671	4.9
173.11937	1.0
173.13188	8.1
175.11148	1.6
175.14905	1.3
179.14212	1.4
183.11627	1.6
185.13222	4.9
187.11230	1.2
187.14764	1.5
189.11168	4.0
197.13242	4.1
201.16321	1.4
203.14301	1.3
219.17484	5.0
227.12714	11.9
229.14395	2.0
229.19511	2.0
239.17979	2.1
246.19337	1.0
247.20560	2.3
254.71585	1.3
257.18988	11.2
259.20444	1.5
261.22119	6.8
261.93982	1.1
267.15701	2.5
269.17468	2.0
275.20026	33.9
293.20984	1.8
309.20566	1.7
331.22446	1.2
335.25742	67.2
335.29810	2.3
349.23654	37.6
403.46924	1.3
489.35843	4.5
505.35184	2.5
515.37000	1.5
529.38806	7.5
555.39716	1.8
569.41931	8.7
609.35315	2.1
609.45044	62.5
610.44836	1.1
627.46136	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02872	1.7
65.03918	6.3
67.05489	100.0
69.03412	7.7
69.07050	29.6
69.08154	1.5
71.04972	3.7
75.28971	1.8
79.05468	94.4
80.02779	1.4
80.05801	1.6
81.03393	7.6
81.07035	91.8
83.04958	9.5
83.08596	15.2
85.02885	3.5
85.06515	7.4
85.47537	1.7
91.05457	66.8
92.09308	2.1
93.07018	86.0
95.04935	18.4
95.08583	64.5
97.02853	3.9
97.06506	6.7
97.10151	21.3
99.08079	6.5
103.24166	1.5
105.07003	60.9
105.07653	3.1
107.04930	9.3
107.08566	62.6
109.02853	2.2
109.06479	13.5
109.10131	24.9
111.08082	6.2
117.06990	24.0
119.08552	46.0
121.06482	3.5
121.10121	32.4
123.08031	3.4
123.11694	9.6
125.09583	18.2
127.03911	2.6
129.06981	14.8
131.08546	41.6
133.10083	35.5
135.08052	3.0
135.11641	14.5
137.09586	2.0
141.07008	2.3
143.08530	11.9
144.09276	2.1
145.10100	28.2
147.08044	2.2
147.11649	28.7
149.09587	9.2
149.13199	6.8
155.08545	2.0
157.10127	8.8
159.11641	22.6
161.09709	1.6
161.13217	10.7
163.11096	3.3
163.14755	1.8
169.10147	2.6
171.11664	3.9
173.13217	9.8
175.11119	1.8
175.14793	3.1
183.11639	3.7
185.13200	16.0
187.14850	3.1
189.11183	3.0
197.13141	3.3
199.14859	2.6
203.14297	9.1
219.17389	14.5
227.12773	14.6
239.17982	3.4
257.18927	8.7
261.22079	7.4
267.15924	1.9
275.19998	46.5
291.19452	3.6
292.20004	2.4
293.20746	2.3
331.22528	2.7
333.24277	1.7
335.25726	73.9
336.26123	2.5
349.23672	53.4
349.27631	2.1
419.24493	1.9
505.35165	7.4
555.40155	3.2
609.45050	92.1
610.44672	2.7
626.44574	3.7
627.45404	19.5
798.59851	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	824.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.6
63.94683	0.6
65.03928	5.7
67.05497	3.3
68.99738	0.5
69.03417	3.8
69.07048	0.9
71.04957	0.8
75.04459	3.1
77.03917	0.7
77.18208	0.6
78.04705	1.0
79.05463	8.2
81.03400	3.6
81.07031	4.6
82.04185	0.8
85.02887	19.0
85.06557	0.8
89.03891	1.0
91.05462	14.2
92.08877	3.6
93.03380	9.3
93.07021	7.3
95.04945	7.1
95.08598	3.6
97.02864	3.9
97.06497	3.6
103.05450	21.8
105.03387	0.6
105.07018	9.4
106.04165	21.4
107.04947	12.8
107.08559	1.2
109.02892	1.4
109.06484	0.9
109.10152	1.4
110.03665	2.5
111.04417	1.4
115.05450	6.4
116.06244	0.9
117.03327	1.2
117.06991	5.5
118.04147	5.3
118.95348	0.7
119.04929	3.2
119.08580	1.3
121.06483	27.4
121.10122	2.6
123.04434	4.8
123.07961	1.1
123.11655	0.6
124.05190	3.5
125.05967	10.5
127.03905	3.0
128.06235	0.8
129.06934	1.3
131.04912	20.2
131.08545	1.3
132.05644	1.1
133.02829	1.0
133.06477	10.7
133.10088	1.0
134.03601	4.2
135.04379	3.1
135.07986	2.8
135.11629	1.3
135.75893	0.7
137.05937	8.3
137.09622	1.0
139.07520	2.5
141.06931	0.7
142.02637	1.0
143.04933	1.3
144.05670	1.2
145.02823	2.8
145.04832	2.0
145.06483	6.5
146.03583	0.8
147.04378	3.3
147.08035	2.9
148.05182	12.9
149.05960	46.5
149.13281	0.8
151.03906	1.4
151.07536	3.2
152.04681	1.2
153.05450	5.2
153.09084	10.9
155.07071	0.8
156.05618	0.7
157.06516	1.1
159.04427	0.9
159.08046	3.0
161.05949	11.0
163.03894	2.8
163.06151	1.4
163.07500	24.4
165.05444	1.5
165.09030	4.6
166.06268	1.5
166.09485	1.2
167.07001	60.8
171.04335	0.7
171.06485	6.1
173.05968	6.3
175.03966	0.8
175.07530	3.3
176.04651	1.4
177.05437	23.9
177.08817	0.6
179.06953	1.3
181.04927	87.4
181.08496	16.9
182.05295	0.7
185.05872	0.9
187.07506	5.6
189.09029	1.2
190.06203	1.0
191.06996	72.9
192.07591	1.5
193.04832	1.3
193.08569	4.9
195.06488	1.5
198.11292	0.8
201.05476	2.8
203.07021	4.1
205.08583	4.5
207.06479	3.1
207.10036	1.0
209.08063	100.0
217.08624	3.8
219.08188	1.1
219.10178	3.3
221.08008	1.3
225.07494	0.7
227.07214	0.7
231.06424	0.9
233.07980	5.3
235.07550	0.8
235.09593	5.1
236.07901	0.8
245.08011	0.8
263.09116	16.7
265.08395	0.8
267.10132	3.6
278.74445	0.7
283.24097	1.0
284.24423	0.9
285.25677	1.0
295.09473	1.0
297.11224	1.1
307.09549	1.2
309.07721	1.0
325.10831	1.6
326.66095	0.8
339.66714	0.6
357.13205	4.2
385.12634	7.1
399.14145	2.7
417.15408	27.8
428.36597	0.9
428.99643	0.9
806.00519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53541	0.3
60.05593	0.3
61.02899	0.6
62.45701	0.4
63.27911	0.3
65.03926	6.2
67.05476	2.7
69.03401	2.7
69.07043	0.5
69.15604	0.3
71.04965	0.7
73.87247	0.4
75.04475	4.4
77.03918	0.4
78.04671	2.8
79.05476	6.4
81.03391	3.5
81.07021	2.1
82.04161	0.9
85.02886	10.8
89.03885	0.9
89.05987	0.5
91.05449	14.5
93.03378	10.2
93.07021	6.4
94.04214	0.4
95.04943	8.7
95.08593	0.7
97.02866	3.2
97.03403	0.4
97.06506	5.2
99.04431	0.5
103.05442	24.2
105.03342	1.6
105.04468	1.0
105.07004	9.6
106.04154	26.0
107.04275	0.7
107.04938	12.1
108.02059	0.4
108.64202	0.4
109.02839	1.7
109.06500	1.7
109.10139	1.0
110.03637	2.7
111.04446	3.1
115.03944	0.4
115.05427	6.9
117.03368	0.8
117.06979	4.9
118.04136	6.8
119.04932	4.0
119.08553	1.0
120.05692	0.5
121.06479	28.6
122.03607	0.6
123.04393	5.8
123.08032	0.8
124.05208	3.7
125.05965	13.2
126.26520	0.4
127.03885	1.7
127.07517	0.7
128.06197	0.6
129.06972	1.6
129.89281	0.4
130.04097	1.7
131.04909	25.3
131.08490	2.0
132.05655	2.5
133.02823	0.6
133.06468	12.2
134.03593	5.5
135.04373	2.6
135.08032	2.5
136.05180	0.5
137.05951	7.5
138.03094	0.9
138.06682	1.0
139.07491	2.7
141.06926	0.8
142.02565	2.2
143.04898	1.5
144.05661	1.6
145.02798	1.6
145.04956	0.5
145.06474	8.4
146.03569	0.8
146.07176	0.6
147.04388	1.8
147.07994	4.2
148.05171	16.2
149.05952	49.9
150.06477	0.4
151.03865	4.3
151.07501	3.2
152.04649	2.3
152.08328	0.8
153.05463	5.3
153.09065	10.9
155.05969	0.8
155.07077	0.9
157.06372	1.4
158.03636	0.5
159.04460	0.6
159.08008	3.2
160.05191	0.8
161.05937	12.6
163.03876	2.0
163.07503	30.4
165.05434	2.0
165.06821	0.6
165.09067	2.5
166.06213	0.8
167.06995	71.9
168.07336	0.8
169.06378	0.5
171.06490	5.7
172.05116	0.5
173.05963	6.3
174.06665	0.9
175.03877	0.5
175.07503	4.7
176.04630	2.9
177.05435	25.8
177.09103	1.9
179.07013	1.6
179.08452	0.5
181.04921	83.8
181.08490	19.1
182.05212	0.6
185.05858	0.5
187.07521	4.7
189.05437	1.4
189.06982	0.6
189.09012	0.5
190.06232	2.5
191.06992	85.9
192.07561	1.0
193.04890	2.5
193.08575	4.9
195.06468	4.4
201.05432	2.1
202.06165	1.0
203.07027	3.3
205.06639	0.7
205.08478	4.1
207.06447	2.5
207.08125	1.0
207.10129	2.4
209.08054	100.0
210.08365	0.9
217.08525	3.5
219.08063	1.5
219.10121	4.1
221.07999	0.7
222.06763	0.5
225.07507	0.5
229.08383	0.5
233.07983	4.8
234.06702	0.7
235.07416	3.0
235.09625	4.8
241.15196	0.4
245.08015	2.0
247.07402	0.9
249.11391	0.4
252.07791	0.5
253.08601	0.5
257.08035	0.6
263.06625	0.8
263.09128	13.3
265.08511	0.9
266.09140	0.5
267.10114	4.2
269.11591	0.7
274.21918	0.4
275.53876	0.5
279.09985	0.6
293.07889	0.8
295.09518	0.8
297.11154	1.7
307.09586	0.9
323.09116	0.5
325.10651	2.9
327.12094	0.5
329.13550	0.5
331.11624	0.5
335.09027	0.4
337.10693	0.6
339.12256	0.9
353.10751	0.5
355.11575	0.6
357.13174	4.7
359.14944	0.9
367.11679	0.9
369.13235	0.5
371.14722	0.7
385.12805	8.2
387.14236	0.5
389.15771	0.5
399.14270	2.7
417.15341	25.7
595.20514	0.5
609.22974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
57.07074	2.0
62.29382	1.3
64.67028	1.1
65.03930	1.2
67.05492	39.4
67.05848	1.9
69.06137	1.2
69.07054	17.4
71.04929	1.2
72.69540	1.2
79.05476	18.7
81.07040	42.6
83.08606	8.5
91.05464	21.4
91.68328	1.3
93.07021	20.6
95.08584	39.2
97.06522	3.1
97.10142	2.4
98.77136	1.1
99.08079	2.0
105.07036	8.0
107.04904	1.2
107.08576	13.3
109.10136	17.8
112.64923	1.1
117.07043	1.3
119.04920	32.6
119.08565	8.1
121.10119	16.8
123.11710	5.4
126.79054	1.2
129.07011	1.2
131.08572	5.5
133.10103	6.1
135.11667	9.3
137.13173	1.7
138.85019	1.2
145.10066	2.3
147.04395	100.0
147.11671	5.8
150.83159	1.2
159.11723	1.5
161.13277	5.7
163.11166	2.0
183.41273	1.2
187.22063	1.3
217.19511	2.1
221.07996	1.8
234.79424	1.3
243.20921	1.7
261.22134	2.0
279.23160	8.4
297.24310	2.2
308.69571	1.3
335.26001	1.5
496.94254	1.3
498.85815	1.3
513.43274	2.7
531.43988	6.3
549.44727	2.6
605.47815	11.6
607.43097	2.5
623.48517	13.4
734.18378	1.3
769.52167	5.1
787.53186	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	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	15.1
61.02908	4.2
67.05497	100.0
69.03408	2.9
69.07058	25.8
71.04962	5.4
74.53429	2.5
79.05481	68.2
81.03417	4.6
81.07041	87.8
82.07581	3.1
83.04958	20.2
83.08610	6.2
85.02849	3.0
85.06533	4.8
91.05470	72.4
93.06496	3.4
93.07034	71.1
95.04939	14.0
95.08590	48.8
97.06510	4.8
97.10132	3.4
98.61689	2.7
101.08974	2.8
105.07023	57.5
107.04927	5.8
107.08586	48.8
109.06506	5.4
109.10151	52.7
111.08039	2.7
116.30634	2.5
117.06998	13.5
119.08556	27.0
121.10121	22.0
123.08012	4.4
123.11682	5.9
129.06975	3.4
131.08563	18.8
133.10114	68.8
135.08058	5.8
135.11670	13.8
145.10115	13.9
147.11722	5.8
148.23770	2.7
149.13261	5.7
151.11172	30.9
157.10114	4.0
159.11685	11.0
161.09633	4.3
161.13332	3.3
169.12413	3.1
171.11644	4.6
173.13213	3.0
185.09709	3.0
185.13260	5.7
205.01437	2.9
245.19014	3.5
253.14316	74.5
259.20441	4.5
261.22217	6.2
273.18466	11.7
291.19510	10.7
333.24442	4.9
335.25735	56.2
347.22061	3.5
365.23245	29.9
365.27362	4.3
412.64606	2.8
513.35803	4.0
522.67163	3.0
531.36353	13.8
593.44482	3.3
611.46436	6.0
625.35413	4.1
625.44568	62.8
651.41272	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	822.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02931	0.2
64.33442	0.1
66.04686	0.1
67.05484	0.8
69.03416	0.2
69.07057	1.4
70.82048	0.1
79.05457	0.5
81.07024	0.8
82.19951	0.1
91.05468	0.2
93.07027	0.8
94.04156	0.6
95.04963	0.3
95.08581	0.5
97.06509	0.2
97.25272	0.1
105.06997	0.5
107.08581	0.8
109.10131	0.9
113.05884	0.1
114.09142	0.5
122.03637	3.4
123.11659	0.2
126.09108	0.2
133.10106	0.9
135.11671	1.3
137.05956	100.0
138.06325	0.9
138.12833	0.2
147.11678	0.2
151.11180	0.5
153.12723	0.9
170.15379	1.1
175.14796	0.7
182.15375	2.8
251.25281	0.1
258.79977	0.1
306.20563	13.0
307.20981	0.1
344.16199	0.2
355.22684	0.3
517.28973	1.5
791.90259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	48.4
57.07058	1.7
61.02906	3.6
65.03927	3.2
67.05489	83.9
69.03409	7.1
69.07050	37.9
71.04972	3.7
79.05470	67.2
81.03397	6.1
81.07034	93.1
83.04952	8.1
83.08601	12.2
85.02900	2.7
85.06538	5.2
91.05457	51.3
92.08656	2.7
93.07018	69.5
94.07758	0.6
95.04941	13.8
95.05502	0.8
95.08579	62.4
97.02844	5.6
97.06499	8.0
97.10139	7.7
99.04440	0.9
99.08056	1.7
103.05415	0.9
105.04429	0.9
105.07009	34.0
107.04922	6.0
107.08572	32.3
108.05767	1.1
109.02869	0.8
109.06496	17.9
109.10133	22.7
111.08051	4.0
115.05415	2.6
116.06221	0.7
117.06998	14.2
119.04930	3.1
119.08557	24.8
121.06468	4.4
121.10122	26.3
122.07253	1.3
123.08048	6.0
123.11668	4.4
125.09629	5.2
127.07536	14.7
128.06210	0.7
129.06987	7.2
130.07761	1.5
131.08539	19.9
133.06456	4.5
133.10100	16.4
134.07246	0.9
135.08034	14.7
135.11655	10.4
137.09615	2.8
139.11186	0.9
141.06964	0.9
142.07767	1.2
143.08542	5.8
145.10098	13.1
147.08031	6.0
147.11656	12.0
148.08772	1.4
149.09546	5.3
149.13194	5.8
151.11208	1.1
155.08508	0.9
157.10123	5.5
159.11685	7.8
161.09596	3.6
161.13249	2.8
163.11140	2.7
163.14806	1.7
165.12691	3.1
169.10036	0.8
171.11636	1.6
173.13228	7.0
175.11162	1.4
187.11133	0.9
187.14810	1.3
189.11139	0.8
189.16365	1.0
191.14314	1.1
199.14844	1.5
201.12772	0.9
213.16371	0.8
217.15953	1.6
223.13297	5.7
227.12616	1.1
235.16913	4.4
249.14877	3.3
255.17371	1.4
261.22055	6.7
273.18445	18.1
291.19470	82.1
317.24847	1.2
322.42810	0.8
330.62723	0.8
335.25711	97.5
336.26077	1.0
347.22089	2.6
365.23145	45.8
529.38470	3.0
531.37219	0.8
607.43396	5.9
625.44470	100.0
626.44574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03163	0.3
57.03429	4.4
59.04960	0.2
61.02913	7.5
62.25210	0.2
67.05502	0.9
69.03416	15.3
69.07053	0.3
69.52341	0.2
71.01328	0.3
71.04975	3.0
73.02535	0.2
73.02903	3.4
79.05473	0.7
81.03403	6.7
81.07028	2.2
83.01338	0.8
83.08595	0.4
85.02889	100.0
86.03214	0.3
87.04449	2.5
87.97293	0.2
91.03935	4.7
91.05456	0.9
93.07021	1.6
95.08572	1.8
97.02872	26.2
97.06533	0.2
98.03168	0.2
99.04430	4.5
101.02342	0.8
103.03926	1.2
105.07009	1.2
107.08572	1.7
109.02867	9.1
109.10129	1.7
115.03915	1.1
119.08536	1.1
121.10124	1.2
123.11682	0.7
127.03893	22.2
131.08546	0.3
133.10098	1.7
134.10443	0.2
135.11656	1.7
137.13239	0.2
145.04938	35.0
145.10075	1.3
147.11678	1.2
149.13216	1.1
157.10197	0.4
159.11671	0.9
161.13191	1.4
163.05978	14.3
163.14796	0.8
165.09091	1.8
166.09419	0.3
173.13213	1.0
175.14769	1.1
187.14743	0.9
189.16339	2.1
201.16359	1.0
227.17873	0.9
241.06908	0.3
253.06886	0.2
257.22513	1.0
271.08014	1.1
283.24121	5.1
289.09073	3.0
301.25198	8.4
303.11035	0.2
319.26224	2.6
325.11221	11.8
413.72815	0.2
716.06024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.3
63.27681	1.5
67.05490	48.1
68.88469	2.3
69.07060	17.9
79.05468	20.5
81.07043	52.3
83.08617	3.8
91.05463	30.1
93.07008	27.3
95.08580	46.9
97.06528	4.2
97.10103	2.1
100.79719	2.5
105.07038	5.1
107.08573	19.4
109.06477	2.3
109.10152	22.8
117.47056	2.1
119.04932	27.9
119.08538	7.9
121.10122	18.6
123.11690	8.0
125.95698	1.9
131.08524	4.0
133.10130	9.4
135.11681	12.4
145.10120	9.6
147.04388	100.0
147.11687	2.3
149.13266	4.1
187.90773	2.1
279.23279	3.9
286.49225	2.4
297.23993	2.8
325.23801	18.7
353.26971	9.0
427.66199	2.1
585.45050	3.7
603.45917	13.0
621.47015	13.2
749.49115	3.5
803.52441	2.4
830.01172	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	820.592
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	23.3
75.57024	18.7
81.07045	42.6
88.42757	25.9
93.07047	23.7
95.08583	51.6
97.01858	21.0
113.81638	26.9
119.08559	21.0
143.34135	20.9
176.45024	22.2
189.33575	21.3
303.32831	25.0
335.25821	100.0
377.08347	20.5
613.47614	33.1
799.86768	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	821.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66724	0.8
65.03931	0.8
67.05493	11.7
67.67292	0.7
69.03424	1.3
69.07056	3.4
78.42563	0.7
79.05474	13.9
81.07040	20.2
81.36512	0.9
82.03446	0.8
83.04981	1.5
83.08618	4.5
85.02899	1.8
91.05457	22.4
92.09283	1.7
93.07024	25.2
95.04949	5.4
95.08591	17.2
97.06522	3.1
105.07014	36.9
107.02716	0.9
107.04954	1.5
107.08572	20.8
109.02920	0.8
109.06510	5.4
109.10139	10.6
111.04436	1.3
115.05413	1.2
117.07003	13.0
119.04933	1.0
119.08554	24.2
121.06487	5.7
121.10110	13.7
123.04385	1.5
123.08058	3.0
123.11694	1.0
125.05967	15.7
128.06190	3.3
129.07005	14.8
130.07822	0.8
131.08543	24.6
133.06487	1.6
133.10115	15.1
135.08035	3.9
135.11682	9.5
137.06059	1.2
139.07538	0.9
141.05540	0.8
141.06970	4.8
141.13930	0.7
142.07764	3.9
143.08545	20.9
144.09312	0.9
145.06477	1.7
145.10100	23.4
147.08044	6.8
147.11659	22.5
149.05911	0.9
149.13239	4.9
149.15250	0.9
149.16501	0.9
151.07541	1.9
153.05452	6.4
153.06824	1.5
155.07317	1.3
155.08549	12.3
156.09366	0.8
157.06482	1.3
157.10115	19.2
159.08035	4.7
159.11661	24.9
161.09641	3.2
161.13237	17.1
163.07480	3.2
163.11247	1.3
165.06955	1.1
167.07243	0.9
167.08539	5.3
168.09273	3.4
169.10080	13.4
170.10832	1.1
171.07994	4.3
171.11653	11.3
173.09602	3.8
173.13199	8.7
175.07516	18.5
175.11189	3.0
175.14827	3.4
177.09053	3.0
179.08568	2.9
180.09355	0.9
181.10088	12.6
182.10791	1.2
183.08051	0.9
183.11690	19.7
185.09561	1.7
185.13234	9.4
187.07587	1.4
187.11188	1.3
187.14783	4.3
189.09047	6.5
189.12624	1.0
191.10609	1.6
193.08549	1.6
193.10150	4.0
195.11655	12.0
197.13260	9.9
199.11203	5.7
199.14792	7.7
201.09074	3.0
201.12682	1.5
201.16434	4.0
203.10667	4.8
205.10040	0.9
207.09979	1.5
207.11739	4.2
208.12381	1.0
209.09656	6.2
209.13255	9.2
211.11139	7.0
211.14845	8.9
213.09102	3.2
213.12778	3.9
213.16354	5.0
215.10686	4.2
215.14261	1.5
215.17804	6.9
217.10245	0.8
217.12292	3.5
217.15723	1.4
219.11749	2.0
220.12508	0.9
221.13272	3.8
223.11147	3.2
223.14780	3.6
225.12680	1.4
225.16273	2.5
227.10658	17.9
227.14272	3.5
229.12199	15.1
231.17361	1.2
233.13312	1.9
235.14738	5.5
237.12733	3.0
237.16451	1.6
241.12213	8.2
243.13753	6.2
247.14830	1.8
249.16310	4.1
251.17914	3.7
253.19325	5.9
255.13806	7.2
257.15274	1.5
263.17889	1.1
265.16107	1.2
265.19476	1.9
267.13693	0.9
267.17435	1.3
269.15390	1.0
275.17856	2.7
277.19351	3.0
279.13812	1.3
281.15411	4.0
283.16888	1.5
289.19357	1.8
291.20941	11.0
293.15540	1.5
293.18961	4.0
293.22528	1.1
295.16852	1.3
307.17416	1.2
307.20569	5.1
309.18698	1.7
309.22110	6.8
311.20166	1.9
317.18973	2.9
319.20447	9.3
325.21536	3.9
335.20020	11.9
337.21555	79.8
338.22110	1.1
353.21045	27.1
355.22610	94.9
356.23306	1.5
371.22116	28.6
373.23666	100.0
374.24054	1.4
389.23172	21.0
415.24661	3.3
424.07993	0.9
433.25769	10.4
469.00183	0.9
685.28278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.4
59.04983	0.2
60.11346	0.2
61.02912	8.7
67.05473	1.3
69.03414	14.4
69.07022	0.4
71.01340	0.2
71.04971	2.9
73.02901	2.8
79.05470	0.9
81.03397	5.9
81.07030	4.2
83.01313	0.4
83.04948	0.2
83.08608	0.4
85.02884	100.0
85.06516	4.0
85.34174	0.2
86.03214	0.2
87.04435	2.2
91.03925	4.6
91.05475	1.0
92.09199	0.2
93.07011	2.4
95.08584	2.9
96.65812	0.2
97.02864	26.8
97.10147	0.2
99.04427	4.8
101.02347	0.4
102.10622	0.2
103.03920	1.0
105.07000	3.2
105.34981	0.2
107.08564	2.3
109.02860	8.7
109.10152	2.2
115.03918	1.1
117.05337	0.2
117.07001	0.8
119.08540	2.6
121.10086	1.8
122.35790	0.2
123.11675	0.4
127.03885	23.7
129.07013	0.3
131.08533	3.3
133.10100	1.9
135.11644	1.9
137.09502	0.2
141.51915	0.2
143.08554	0.9
145.04932	32.1
145.10092	1.9
147.11655	3.4
149.13225	5.0
151.11133	0.4
157.10078	1.1
159.11668	3.9
161.13213	7.1
163.05974	16.1
169.10184	0.4
171.11641	2.7
173.13251	1.4
175.14781	2.0
181.06990	0.3
183.11687	0.3
185.13179	1.5
187.14842	0.7
189.12724	1.3
197.13208	0.7
198.30443	0.2
199.14809	1.6
203.14319	0.2
211.14746	2.0
213.16255	0.4
215.17908	0.3
217.15823	0.3
225.16318	1.5
239.17953	0.4
241.19472	0.3
255.21118	0.3
271.08102	0.9
281.22565	9.0
289.09088	2.1
299.23605	14.2
317.24728	1.1
325.11215	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	820.483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.4
57.07064	4.4
59.04990	9.8
60.02689	0.2
65.03913	1.3
67.05494	24.3
69.03417	13.6
69.03694	0.2
69.03802	0.3
69.07071	0.5
71.04976	16.7
73.06530	0.9
75.04445	0.4
78.02061	0.2
79.05463	1.4
80.79633	0.2
81.07034	0.9
83.04977	2.1
85.02907	0.3
85.06530	22.6
87.04451	6.7
91.05454	0.5
95.04948	45.6
95.08568	0.2
96.05303	0.4
97.06514	5.5
101.06004	1.4
105.07022	0.9
107.04913	0.3
107.08592	1.1
109.10143	0.3
113.05991	100.0
114.06330	1.0
119.04937	0.3
119.08544	0.4
127.07545	0.8
131.08524	0.5
133.10114	0.5
137.05905	0.3
145.08578	32.3
146.08937	0.3
147.11705	0.3
157.10104	0.3
159.11707	0.3
161.34534	0.2
162.11246	1.5
175.07492	2.3
175.14783	2.1
181.08643	0.3
210.09814	0.2
253.69673	0.3
257.13766	0.5
306.19016	0.3
335.19785	0.3
353.20987	1.8
371.22101	26.0
372.22507	2.1
380.15704	0.3
607.61005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	7.8
57.07048	1.2
59.23383	0.6
61.02913	10.4
67.05497	6.9
69.03410	24.6
69.07048	7.3
71.04975	5.1
73.02899	2.0
74.58876	0.8
79.05478	4.3
81.03392	9.5
81.07037	17.4
83.08596	4.9
85.02886	100.0
85.06514	1.6
87.04459	1.1
91.03922	4.0
91.05453	7.5
93.07014	15.0
95.04947	3.5
95.08580	25.7
97.02863	36.1
97.03487	1.2
97.06477	1.0
97.10153	1.7
99.04441	4.8
105.07007	16.6
107.08573	29.9
109.02875	8.3
109.06515	1.3
109.10140	18.2
111.08051	0.8
113.05985	1.5
115.03891	1.4
117.06979	3.5
119.08562	26.0
121.10107	29.9
123.08038	3.4
123.11665	12.9
127.03875	20.1
128.06125	0.9
129.07002	1.4
131.08540	10.8
133.10112	19.0
135.08032	1.1
135.11673	20.7
137.09593	1.2
137.13223	4.9
143.08531	6.6
145.04930	21.7
145.10107	16.0
147.11655	15.0
149.09624	0.9
149.13260	6.3
151.11151	1.2
153.09145	0.8
153.12794	1.2
157.10147	6.3
159.11656	28.3
161.13237	16.4
163.06007	3.7
163.14781	5.2
167.08505	0.9
169.10097	2.0
171.11603	7.7
173.09518	0.8
173.13216	20.6
173.83766	0.9
175.14792	16.5
177.09062	0.9
177.16350	7.8
179.14244	13.1
183.11679	4.1
185.13190	6.5
186.13968	8.5
187.14764	12.6
189.16322	6.4
191.17953	1.2
197.13280	1.1
199.14732	8.2
200.15636	1.1
201.12756	1.1
201.16357	8.4
203.17915	3.3
207.11720	1.6
207.13573	1.0
209.13138	1.2
211.14861	3.3
213.16374	4.3
214.17128	4.7
215.17883	7.9
221.15306	1.2
223.14708	1.2
225.16405	1.8
227.17920	1.9
229.19458	74.6
230.19839	0.8
231.21013	0.9
237.16316	12.0
239.18024	1.5
241.19354	1.3
243.20863	1.5
244.20894	0.9
247.20511	42.8
251.17924	1.8
255.17421	1.3
255.21004	3.4
257.22614	1.8
265.19461	1.1
267.21158	2.9
269.22516	1.1
271.24246	0.9
275.00552	0.9
277.19446	0.9
283.16919	3.3
285.21951	1.2
301.17905	1.2
303.23361	1.1
323.19983	1.6
325.11206	1.4
363.30472	1.8
372.85031	1.0
373.28778	2.0
381.31302	1.2
391.29669	4.7
391.33951	2.0
409.34854	21.3
419.28998	1.6
427.35806	11.8
437.29660	5.9
437.34082	12.7
455.30322	5.4
455.34985	19.4
473.32394	7.4
504.37646	0.9
599.38947	4.4
617.36371	7.5
635.37646	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	816.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.4
57.07060	0.6
59.04966	0.4
61.02912	2.8
67.05494	4.6
69.03413	5.8
69.07059	3.5
69.17104	0.3
71.04961	1.2
71.40050	0.3
73.02904	0.6
73.83635	0.3
75.68942	0.3
79.05466	2.2
79.97491	0.2
81.03392	2.0
81.07037	8.7
83.04994	1.0
83.08607	1.3
85.02888	21.8
85.06522	0.6
86.03249	0.3
87.04443	0.7
91.03971	0.4
91.05478	2.0
91.05940	0.3
92.09346	0.6
93.07021	7.7
95.04948	1.6
95.08585	22.2
97.02876	7.4
97.06474	1.2
97.10161	0.7
99.04416	1.2
99.08037	0.4
105.07021	6.5
107.02055	0.3
107.04982	0.3
107.08578	12.7
109.02849	2.8
109.06473	1.2
109.10137	16.8
111.08078	0.5
111.11737	0.3
113.06010	1.0
115.03931	0.4
117.07010	1.4
119.08561	10.4
121.06483	0.4
121.10118	11.0
123.08031	1.4
123.11684	4.9
125.09609	1.8
127.03893	4.6
129.07008	0.3
131.08531	4.1
133.10098	6.4
135.11668	13.2
137.09615	1.4
137.13245	1.3
143.08542	1.8
145.04935	3.8
145.10094	7.8
147.07956	0.5
147.11665	7.7
149.09610	0.7
149.13237	5.2
151.11159	1.6
155.08537	0.4
157.10097	2.7
159.10370	0.4
159.11659	8.2
161.09618	0.4
161.13252	5.2
163.06068	0.5
163.11156	1.3
163.14804	1.4
165.09047	0.4
165.12688	3.5
169.10117	1.7
171.11673	3.8
173.09573	0.3
173.13213	5.6
175.14809	2.2
177.05533	0.4
177.12720	0.6
177.16365	0.7
179.14273	0.6
181.12267	0.4
183.11664	2.5
185.13181	3.5
187.14763	8.5
189.12749	1.3
189.16348	2.5
191.14296	0.7
195.11639	0.4
197.13213	1.9
198.13972	0.4
199.11034	0.4
199.14740	3.1
201.16406	2.1
203.14319	0.7
203.17996	0.5
205.15854	1.2
205.19449	0.5
211.14816	1.4
213.16354	1.6
215.14212	0.4
215.17902	2.0
219.17511	0.4
223.14838	0.5
224.09230	0.4
225.16402	2.1
226.17154	0.7
227.17905	4.1
229.19463	4.5
231.17366	0.6
231.21106	0.4
233.18970	1.3
237.16371	0.6
239.17931	2.2
241.19449	5.6
243.21046	1.3
245.19006	1.2
247.20351	0.5
251.17914	1.6
253.19525	1.7
255.17470	0.4
255.21036	0.5
257.18933	1.6
258.30264	0.3
259.20419	2.0
267.21082	1.5
269.18991	1.1
269.22525	0.4
271.20575	3.2
279.21051	0.7
283.20377	0.4
285.22046	1.4
293.22729	0.4
297.21942	0.5
305.22528	0.5
323.23645	0.4
325.27301	0.5
365.31952	2.1
375.30371	3.8
393.31430	25.6
394.31741	0.4
411.32492	100.0
412.32819	2.0
421.30750	1.4
439.31882	3.9
456.31546	0.4
457.33029	36.6
458.33487	0.6
526.30994	0.3
606.50372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.5
61.02910	4.8
65.03953	0.3
67.05490	5.7
68.38934	0.3
69.03421	2.5
69.07037	1.2
73.02895	5.5
75.85530	0.3
79.05476	6.3
81.03423	1.5
81.07030	6.4
83.04967	0.4
85.02884	6.4
87.04486	0.5
91.03926	3.2
91.05469	4.1
93.07012	5.5
95.04899	0.5
95.08580	4.3
97.02863	6.1
99.04438	0.7
101.02377	2.1
105.07016	3.9
106.94680	0.4
107.08603	3.2
109.10168	0.8
117.06993	0.7
119.08562	2.9
120.78574	0.4
120.97252	0.3
121.10161	1.7
127.03860	0.8
129.06952	0.4
131.08559	0.6
133.10161	2.1
135.11714	2.1
136.79626	0.4
143.08510	0.5
145.10143	0.5
147.11673	0.7
149.13266	0.6
150.54512	0.4
159.11586	0.5
170.38591	0.4
176.08435	0.4
180.47626	0.4
183.17697	0.3
185.04259	0.8
189.85304	0.4
220.98859	0.4
241.41495	0.4
242.39970	0.4
243.08290	2.6
315.10510	0.4
317.21011	0.7
335.25864	0.5
337.43900	0.4
349.34305	0.5
519.29333	5.2
528.43176	0.4
535.28687	5.0
629.55603	0.4
813.51019	100.0
814.51233	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	813.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.3
60.38130	1.5
61.02907	9.2
62.52825	1.4
67.05480	13.4
69.03408	3.3
69.07034	1.9
73.02897	4.2
79.05466	9.6
81.03439	2.2
81.07042	7.4
85.02885	4.3
91.05460	4.5
92.08893	8.9
93.07043	8.4
95.08594	8.9
97.02884	8.3
105.07042	3.0
107.08558	3.3
109.10173	2.3
113.03703	1.8
135.11580	3.0
135.86632	1.8
147.11647	2.4
243.08450	1.9
447.10690	2.0
519.29370	7.8
535.28442	3.1
813.51025	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	813.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.4
57.07063	1.3
61.02913	7.2
61.90876	0.8
66.09412	0.9
66.68002	1.0
67.05490	8.8
69.03401	2.3
69.07067	1.9
73.02886	3.8
79.05485	5.8
81.07044	6.2
83.08600	1.1
84.77259	1.0
85.02904	5.2
91.03932	2.5
91.05459	6.7
93.07026	9.0
93.59396	0.9
93.69707	1.0
95.08588	6.4
97.02880	4.6
101.02378	1.5
105.07037	5.4
107.08589	1.5
109.10142	1.7
117.07064	1.3
119.08561	2.2
121.10128	1.1
133.10130	1.3
147.11740	1.2
147.40613	1.1
243.08304	2.2
307.38290	1.2
313.27377	1.4
519.29309	4.4
523.73303	1.1
535.28687	5.5
545.04419	1.2
545.66650	1.2
813.50958	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	811.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51483	0.3
57.03428	3.2
61.02920	6.3
64.33580	0.3
67.05499	5.7
69.03414	3.5
69.07058	1.5
73.02904	4.5
74.09925	0.3
79.05472	3.9
80.59354	0.4
81.03397	0.8
81.07050	5.2
83.08598	0.6
85.02895	4.8
91.03950	2.4
91.05466	4.6
93.07021	5.5
95.04995	0.8
95.08582	4.3
97.02898	5.0
99.04430	0.8
101.02370	0.8
105.07014	3.6
107.08564	2.6
108.84988	0.4
109.02887	0.6
109.06519	0.4
109.10168	1.4
116.31975	0.4
117.07004	0.7
119.08572	2.4
121.10152	1.6
127.03933	1.5
128.44385	0.3
131.08580	2.2
133.10149	1.4
135.11708	0.9
145.10196	1.4
159.11748	0.5
170.40935	0.5
211.57025	0.4
219.17484	2.4
243.08310	2.8
308.64542	0.4
315.19281	4.4
335.25693	0.5
371.22360	0.5
519.29254	5.5
520.44116	0.4
533.27081	6.8
536.46069	0.4
811.49518	100.0
812.49481	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	812.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	5.5
57.07070	1.4
59.04975	2.2
61.02917	10.5
67.05484	5.0
69.03419	26.2
69.07044	7.2
71.04970	1.8
71.71127	0.9
73.02891	4.2
79.05467	4.7
81.03407	10.5
81.07045	11.9
83.08604	5.7
85.02892	100.0
87.04471	1.1
91.03926	4.3
91.05454	2.7
92.21355	1.3
93.07025	10.7
95.04922	3.9
95.08589	20.6
97.02879	36.6
97.06535	1.1
97.21487	0.9
99.04439	2.6
105.07041	7.5
107.08585	29.8
109.02871	7.5
109.10131	12.4
113.05979	4.8
114.37760	0.9
117.06989	1.7
119.08559	16.7
121.10131	17.3
123.11694	5.4
125.09662	1.2
127.03902	16.8
129.07004	2.1
131.08548	9.2
133.10121	11.8
135.11674	9.9
137.13243	1.2
143.08543	8.0
145.04939	19.9
145.08531	1.6
145.09013	1.1
145.10120	14.9
147.11684	8.1
149.13254	5.9
153.09091	1.4
155.08452	1.8
157.10114	24.5
159.11687	18.4
161.13222	10.9
163.06015	6.4
163.14758	6.5
169.10130	6.5
170.10854	1.3
171.11673	18.3
173.13226	10.6
175.14838	3.8
177.16336	15.1
179.14314	2.4
181.12312	1.3
183.11681	7.3
185.13268	10.4
187.11115	1.1
187.14799	8.2
189.16385	4.4
191.17926	1.1
197.13197	7.6
199.14795	5.9
201.16371	7.3
209.13283	1.5
211.14769	5.3
212.15543	1.1
213.16283	11.1
223.14857	1.9
223.16902	2.0
225.16310	2.1
227.17900	28.4
229.19502	2.6
231.17422	5.8
239.17905	4.9
241.19519	4.7
243.21065	1.4
245.18933	21.6
253.19533	11.3
255.21024	2.0
267.21024	6.0
271.20511	1.7
285.22147	1.7
293.22659	1.8
299.16928	1.2
299.19772	8.0
311.23581	2.4
325.11185	1.5
337.25439	1.3
339.23175	14.4
355.65482	1.3
389.32147	6.5
407.33066	35.1
418.11292	1.1
425.34116	31.5
435.32581	21.5
453.33585	76.3
471.35220	11.1
471.40549	1.9
597.37622	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	810.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	25.5
59.04988	3.2
61.02912	9.0
67.05480	5.2
69.03415	90.4
69.07043	1.3
71.04964	1.9
71.28797	1.2
73.02894	4.9
75.04459	5.3
79.05510	1.3
81.03394	11.3
81.07033	5.4
83.04964	2.5
85.02890	100.0
85.06523	35.7
87.04452	59.0
91.03935	7.9
93.07025	2.2
95.04964	5.4
97.02869	81.9
97.06531	1.7
99.04437	6.3
103.07602	2.1
105.07018	2.4
109.02858	5.9
109.06501	6.2
115.03910	75.1
115.04736	2.5
123.08052	3.0
125.06003	1.6
127.03900	22.5
131.06967	2.0
133.04941	62.4
135.04468	1.3
135.08037	4.7
137.05934	2.4
145.04945	32.1
150.07594	6.1
153.09082	5.4
163.06006	10.5
163.07350	1.2
181.08624	1.9
199.09619	25.7
211.09570	2.8
217.10701	12.1
229.10677	17.5
241.07095	1.7
247.11725	5.1
259.08124	13.2
265.12537	1.6
295.10193	14.0
303.56625	1.2
316.95621	1.4
414.19379	5.6
419.14828	3.1
616.25250	1.5
683.39856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	10.2
57.07069	0.9
61.02911	15.8
65.03927	1.2
67.05487	19.5
69.03414	40.7
69.07045	5.1
71.04967	11.7
73.02894	3.9
79.05470	13.7
81.03404	13.7
81.07031	8.5
83.04964	4.3
85.02888	100.0
85.06528	3.3
86.96832	0.7
87.04458	3.7
91.03933	5.1
91.05434	5.5
93.07044	8.4
95.04942	34.4
95.08582	5.4
97.02867	30.7
97.06506	42.7
99.04444	6.3
103.03899	0.9
105.06995	7.5
107.04980	1.0
107.08578	6.5
109.02849	10.3
109.06512	3.8
109.10148	1.3
111.04461	3.5
111.62740	0.9
113.05987	85.1
119.04913	1.1
119.08556	5.8
121.06462	0.8
121.10141	5.9
123.08027	1.3
125.05954	10.7
127.03892	23.7
131.08553	5.4
133.10123	5.0
135.04378	0.9
135.08076	0.8
135.11691	1.4
137.05933	1.8
139.01808	0.8
139.03824	0.9
143.08537	1.7
145.04933	24.0
145.10112	6.5
147.04373	1.0
147.11691	4.2
149.05954	1.1
153.05418	8.4
155.06990	3.9
155.08450	1.4
157.10103	1.6
159.11673	5.8
161.13254	1.0
163.06021	3.6
163.07393	1.2
164.07129	1.1
167.07051	0.9
171.11664	1.7
173.13190	3.4
175.07443	1.0
175.14804	4.6
179.06985	1.0
183.11671	1.8
185.13254	1.9
189.07481	1.7
189.16350	0.9
191.06883	0.9
199.14842	1.5
201.16353	6.3
207.06473	1.5
209.13152	1.1
216.87778	0.8
221.13264	1.0
229.12236	0.9
257.10104	6.9
275.11166	1.1
277.19379	1.1
291.21021	1.9
309.21976	1.0
327.23120	0.9
337.21533	9.7
355.22595	12.9
373.23669	47.5
674.83789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	18.2
57.07063	3.3
57.75399	1.9
58.67093	2.0
58.72263	1.7
61.02916	3.4
65.03918	3.3
66.63923	1.9
67.05491	100.0
67.05848	3.3
69.03432	3.3
69.07063	26.9
79.05467	68.8
79.05897	4.2
79.82645	2.0
81.07037	85.7
83.04958	4.1
83.08611	9.9
85.02901	2.7
85.06540	3.0
91.05459	48.2
93.07026	73.2
93.07568	4.1
95.04951	9.8
95.08578	63.3
97.02853	2.9
97.06511	7.6
97.10134	4.8
103.05450	2.3
104.68130	2.5
105.07011	43.4
107.08568	47.7
109.06467	3.7
109.10151	33.0
116.70485	2.2
117.07004	13.9
119.08563	30.6
121.10137	32.0
123.11713	4.3
131.08560	18.7
133.10132	20.9
135.11700	17.8
145.10120	11.1
147.11626	15.6
149.13245	10.6
157.10153	3.7
159.11685	9.7
161.13252	12.2
163.14703	3.7
175.14783	3.4
187.14745	4.4
229.14352	4.1
241.19490	5.4
259.20599	17.2
261.22000	3.9
277.21573	8.3
333.24213	12.3
335.25745	63.8
351.25247	39.5
358.37244	2.3
575.51819	2.3
611.46594	41.9
649.37622	2.5
807.51031	2.6
808.52502	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	806.5765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	8.5
58.01603	2.8
61.02894	7.6
67.05493	57.5
69.07057	15.1
74.95359	2.9
79.05462	36.5
81.07056	38.8
84.57063	3.7
85.02877	4.2
91.03931	3.4
91.05447	18.7
93.07017	35.2
95.08576	37.1
105.07009	14.6
107.08570	20.9
109.10131	17.1
116.91092	3.2
119.08562	7.2
121.10114	15.8
131.08521	6.1
133.10126	8.5
135.11671	4.3
136.65149	3.3
145.10168	5.8
159.11655	6.5
161.13313	4.4
208.11690	3.8
242.62895	3.6
246.10397	3.8
261.22058	16.3
293.65683	3.5
294.30569	3.8
335.25742	100.0
443.58157	4.4
462.57593	4.8
508.07880	3.4
518.48572	3.8
595.47406	27.3
613.47888	15.2
616.40167	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	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	16.6
57.07051	4.6
61.02901	2.3
61.24490	1.0
62.21100	0.9
65.03918	5.3
67.05495	90.4
69.03412	1.3
69.07059	25.5
71.04981	1.7
71.56680	0.9
79.05475	87.3
81.07043	84.4
83.04956	2.4
83.08614	12.4
85.02887	1.9
88.70462	1.0
91.05461	83.1
93.07026	100.0
95.04948	13.4
95.08585	65.1
97.02858	1.0
97.06516	1.9
97.10136	4.6
99.08135	1.1
103.05486	1.2
104.06176	1.3
105.04488	1.4
105.07016	84.0
107.08579	48.4
109.06503	5.1
109.10134	23.4
115.05430	1.6
117.07000	24.8
119.08565	63.8
121.10127	35.0
123.08069	1.7
123.11651	7.6
128.06190	2.5
129.06987	12.8
131.08548	35.3
133.10107	46.8
135.07959	1.4
135.11679	21.1
141.06950	1.6
142.07765	1.7
143.08563	15.7
145.10114	28.3
147.11668	32.7
149.09576	1.8
149.13269	10.5
155.08566	1.5
157.10146	9.9
159.11681	24.7
161.09471	1.1
161.12068	1.5
161.13260	18.6
163.14804	4.3
169.10126	1.4
171.11652	12.1
173.13210	11.6
175.11278	1.1
175.14812	7.3
183.11696	1.6
185.13254	7.5
187.14813	4.9
191.14351	1.3
199.14796	7.2
201.16382	2.2
213.16371	2.5
231.21042	2.3
241.19533	15.1
243.20964	1.7
257.18976	2.4
259.20520	43.5
261.22122	6.3
271.13809	1.6
307.80789	1.2
311.23587	1.4
315.23135	4.3
333.24152	31.8
335.25742	49.5
337.27274	2.5
436.99615	1.2
519.42078	2.5
593.45813	10.4
611.46692	44.2
701.46881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.7
57.07056	0.7
59.04971	0.4
59.51618	0.5
60.68178	0.5
65.03919	1.2
67.05492	43.0
69.03403	1.0
69.07052	10.7
71.04958	3.0
76.96936	0.4
79.05471	63.7
81.03406	2.0
81.07035	33.1
83.04962	19.2
83.08596	9.1
85.06537	1.1
91.05460	30.6
92.20563	0.5
93.07021	41.2
95.04948	6.0
95.08583	22.4
97.06506	2.5
97.10142	6.6
99.08167	0.6
103.05399	0.6
105.04480	1.1
105.07007	29.2
107.04939	19.6
107.08575	35.9
109.06505	3.4
109.10133	15.1
111.08081	2.6
114.36319	0.6
115.05442	0.6
117.06984	9.7
119.08559	21.2
121.06480	1.3
121.10115	16.5
123.07991	0.9
123.11680	3.1
123.61801	0.5
125.09607	7.0
129.06958	2.6
131.07634	0.7
131.08551	13.3
133.10114	14.8
133.11119	0.6
135.08005	3.6
135.11641	4.8
137.09570	1.0
141.06966	1.1
142.74548	0.7
143.08549	0.8
145.10110	10.9
147.08064	0.7
147.11658	9.2
149.09599	31.4
149.13251	3.0
153.09027	0.7
155.08572	0.6
157.10072	0.9
159.11652	6.2
161.13266	3.9
163.11137	2.1
163.14796	2.7
169.12219	3.3
171.11674	1.0
173.13141	3.8
183.11725	0.8
187.14857	0.9
189.11217	2.2
191.14238	1.1
197.13237	0.8
209.15269	3.8
215.17928	0.9
227.12715	2.4
229.19498	1.3
243.20918	0.5
257.18936	6.2
261.22116	1.1
275.20013	29.1
293.21118	0.9
312.82663	0.6
335.25726	30.8
335.29797	1.0
349.23636	28.1
472.57379	0.7
505.34650	0.7
609.45038	100.0
610.45453	3.2
627.45166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	30.0
59.04994	7.4
60.04522	1.3
60.39190	0.6
61.02931	2.4
67.05472	1.3
69.03416	100.0
69.92297	0.8
71.01337	1.6
71.04987	3.0
73.02880	2.8
75.04473	5.8
79.05496	1.2
81.03405	6.4
81.07035	4.4
83.04951	0.8
83.08606	61.0
85.02889	78.5
86.09644	0.8
87.04449	69.5
91.03924	1.3
93.07017	1.9
95.04948	1.5
95.08588	3.3
97.02868	80.8
99.04422	3.9
99.08042	0.8
101.09639	62.2
103.03933	1.5
105.07041	0.9
107.08565	1.8
109.02848	4.1
109.06472	1.6
109.10152	1.5
111.04436	1.3
111.08070	4.9
115.03909	96.1
123.04436	1.2
123.08061	1.7
125.09630	1.4
127.03902	11.3
129.05424	1.1
133.04945	77.5
133.10112	1.4
133.61012	0.8
135.04472	1.0
137.09602	1.3
141.09116	1.6
142.05797	0.9
145.04942	11.4
149.09625	1.1
150.07603	12.3
151.03801	1.3
153.05426	1.0
157.07515	0.9
160.41449	0.7
163.06000	1.6
165.09071	1.2
167.07022	1.1
167.10680	1.6
169.04933	0.9
177.05328	1.0
179.10591	1.8
186.34956	0.8
197.11728	5.1
209.11664	1.6
215.12717	4.4
223.06000	1.4
227.12663	0.8
233.13803	9.3
241.07027	3.2
245.13728	1.7
259.08105	15.8
263.14835	16.4
276.54160	0.8
277.09158	4.0
280.17465	1.0
295.10193	21.7
303.04776	1.0
304.05472	1.3
412.21582	5.8
427.29239	0.9
497.10638	1.0
498.10382	0.9
780.98706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.7
57.51260	0.2
59.04977	0.3
59.63211	0.2
61.02904	1.0
63.02651	0.2
65.03922	0.9
67.21258	0.2
69.03065	0.4
69.03416	7.6
70.06531	0.2
71.04980	0.3
73.02880	0.2
75.04446	0.3
77.03911	0.3
81.03398	0.9
82.57851	0.2
83.15267	0.2
85.02889	11.2
87.04446	4.6
89.03876	0.4
91.05459	24.5
95.04906	0.4
97.02871	7.7
99.04413	0.4
103.05415	1.0
105.03375	0.3
105.06992	0.5
107.04926	1.0
109.02848	0.5
110.78589	0.2
115.03913	5.4
118.04123	0.4
119.04917	25.2
121.06422	0.2
127.03890	1.6
132.02036	0.8
133.04948	4.4
133.06487	0.4
135.04474	0.3
137.05972	0.5
145.02863	0.8
145.04926	1.7
147.04387	25.6
149.02321	0.9
150.07603	0.9
157.03925	2.4
163.03862	0.9
164.04601	1.5
164.06001	0.2
174.03111	0.9
175.03868	48.0
177.05328	0.3
179.06989	2.8
180.08618	3.1
192.04134	12.0
193.08556	2.8
207.06493	100.0
208.06799	0.4
211.09599	1.2
217.06894	0.2
223.09547	1.1
225.07533	46.4
242.10146	1.3
253.10760	0.3
259.08054	0.9
275.95465	0.2
295.10117	1.0
303.04993	0.2
310.17856	0.3
313.76892	0.2
369.11673	0.4
404.15689	1.5
676.68036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27317	2.6
57.03423	30.0
58.48606	2.6
67.05494	79.2
69.07050	15.4
74.42279	2.5
74.46042	2.6
79.05481	61.0
81.03419	3.5
81.07037	100.0
81.07475	5.1
83.04971	6.1
83.08598	6.5
85.06506	10.6
89.06023	5.3
91.05472	45.8
92.09354	6.3
93.07022	56.5
95.04951	58.7
95.08613	28.9
97.06530	6.2
97.10156	4.6
105.07038	27.8
107.04968	17.2
107.08565	29.7
109.06509	79.3
109.07263	3.1
109.10143	6.8
109.43142	2.7
111.04471	4.1
113.05969	26.4
114.05962	3.3
117.07007	21.3
119.04942	4.2
119.08598	28.9
121.06495	6.0
121.10142	17.8
123.08110	3.6
127.88055	3.1
129.06998	5.4
131.08551	21.9
133.10146	12.8
135.08031	42.6
135.11684	11.9
143.08562	11.4
145.10130	15.7
147.08031	11.5
147.11679	3.8
149.09708	3.0
157.10091	5.8
159.11649	10.9
161.09612	11.6
161.13237	5.0
163.11241	3.4
163.17792	3.2
171.11737	3.4
217.15817	5.2
268.18530	3.2
273.18436	29.9
291.19489	84.8
331.26416	3.5
335.25714	37.1
347.22018	5.3
365.23148	19.5
373.66852	3.0
505.18344	3.5
591.35907	3.5
607.43225	6.9
625.44464	84.8
655.70728	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	805.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	30.2
57.07046	4.7
61.01308	3.0
67.05489	100.0
69.07037	7.8
79.05477	51.0
81.07023	51.3
83.04973	6.7
83.08602	3.7
85.06532	6.5
91.05473	40.6
92.08680	4.5
92.09209	13.5
93.07023	54.0
95.04938	74.6
95.08569	46.4
97.06499	4.9
105.06988	25.3
107.04913	3.9
107.08562	29.1
108.37876	3.1
109.06508	44.3
109.10130	16.2
113.05980	21.7
116.12854	3.3
117.06964	16.2
119.08548	16.7
121.06490	5.8
121.10123	20.8
127.74298	3.6
131.08539	24.0
133.10101	15.1
135.08029	44.6
135.11633	5.4
141.17114	3.3
143.08453	4.5
145.10094	8.0
145.25369	3.9
147.11719	5.3
149.09552	4.1
157.10069	6.4
159.11565	4.9
161.09657	7.3
175.11070	4.0
220.27319	3.5
236.05872	3.0
273.18347	25.1
291.19473	59.1
335.25781	59.3
340.10971	3.7
347.22089	4.4
365.23062	13.5
546.47601	3.7
607.42950	16.1
625.44519	75.5
739.91199	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	804.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
57.07057	0.1
63.02376	0.1
67.05505	0.6
69.03417	1.4
69.07063	0.6
70.01393	0.1
70.84127	0.1
71.04978	0.2
73.02885	0.1
79.05490	0.7
81.03394	3.5
81.07037	8.8
85.02892	1.9
89.03906	2.1
91.05453	0.3
92.09098	0.7
93.07030	0.1
94.71352	0.1
95.04949	0.2
95.08583	1.7
97.02868	1.1
99.04444	0.3
107.08603	0.2
109.02853	1.6
109.10161	0.4
112.84251	0.1
117.03357	11.1
119.08600	0.2
123.11713	0.2
127.03899	0.7
131.08501	0.1
133.10045	0.2
134.03636	0.4
135.04448	1.1
135.05321	0.1
137.05937	0.2
137.13246	0.7
145.02829	52.2
146.03148	0.2
147.11736	0.1
149.05956	5.0
149.07072	0.2
152.20973	0.1
159.11655	0.2
161.13272	0.2
162.03069	0.2
163.03842	0.8
165.09048	0.5
177.05435	100.0
178.05768	0.6
186.05392	0.5
189.05455	0.1
189.09058	0.1
195.06487	2.1
279.08502	0.1
291.08701	0.2
292.77243	0.1
313.17868	0.2
316.32904	0.1
321.09622	4.2
339.10681	11.3
341.80310	0.1
380.73343	0.1
404.35220	0.1
420.61508	0.1
501.15527	0.4
512.02783	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	805.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.6
65.03888	0.8
66.24181	0.4
67.05489	8.4
69.03397	0.7
69.07050	3.1
79.05473	9.6
81.07036	15.7
83.04922	0.4
83.08604	4.0
85.02847	2.4
90.27661	0.4
91.05453	14.6
93.07018	16.3
95.04951	3.2
95.08014	0.6
95.08578	12.6
97.06470	0.5
97.10131	0.3
99.04360	0.5
101.33186	0.3
103.05420	0.4
105.07008	22.4
107.04899	0.4
107.07870	0.6
107.08572	16.5
109.02827	0.7
109.06432	1.6
109.10127	9.3
111.04398	0.3
111.08059	0.4
115.05405	1.7
116.06171	0.8
117.06248	0.4
117.06995	8.9
119.04964	0.5
119.08556	18.1
120.36337	0.4
121.06447	2.5
121.10112	9.4
123.04343	0.7
123.07980	0.6
123.11665	0.8
124.65149	0.3
125.05990	3.7
126.10701	0.4
128.06155	2.5
129.06973	8.6
131.08539	18.6
133.06410	1.4
133.10089	14.5
135.07956	0.6
135.11682	6.7
135.19850	0.4
137.05925	1.4
137.09557	0.4
139.07472	1.7
141.05388	0.8
141.06992	3.1
142.07712	2.2
143.08540	15.2
144.09297	0.4
145.06429	1.9
145.08949	0.5
145.10103	15.0
147.08022	3.6
147.11661	16.0
149.05916	2.3
149.09521	0.7
149.13220	4.7
151.07527	0.4
153.05441	2.6
154.07697	0.8
155.07182	0.5
155.08537	7.1
156.09312	0.8
157.06401	2.3
157.10106	10.5
159.07996	2.2
159.11667	17.0
161.05937	0.6
161.09558	2.1
161.13205	15.5
163.07457	3.1
165.06924	0.7
167.08508	2.1
168.09294	2.6
169.06537	0.4
169.08740	0.4
169.10098	7.6
170.10770	0.4
171.07964	2.2
171.11647	7.2
173.09535	2.4
173.13245	5.9
175.07501	15.7
175.11176	0.4
175.14784	3.7
177.09044	3.0
179.08461	1.4
180.09319	0.6
181.10065	7.2
182.10822	0.8
183.08009	0.6
183.11652	12.3
185.09641	2.9
185.13248	7.9
187.07556	2.7
187.11156	0.6
187.14708	3.8
189.09081	4.4
189.16307	0.7
191.10544	1.4
193.08479	1.4
193.10081	2.2
195.11682	5.7
196.12451	0.7
197.09590	1.6
197.13228	6.8
199.11166	2.7
199.14784	5.7
201.09039	2.0
201.12675	1.8
201.16357	3.5
203.10602	4.1
203.14122	0.6
207.09982	0.9
207.11661	1.8
209.09633	2.9
209.13197	5.6
211.11147	4.8
211.14781	4.4
213.09088	2.4
213.12665	1.9
213.16299	3.5
215.10605	2.1
215.14423	0.6
215.17886	6.3
217.12149	1.6
217.15775	0.5
219.11685	0.8
221.13208	2.4
223.11133	1.8
223.14677	2.8
225.12660	1.8
225.16379	0.7
227.10623	11.6
227.14055	1.0
227.17909	0.8
229.12186	12.9
229.15660	0.5
229.19461	0.5
231.13748	0.7
231.17314	1.6
235.14763	2.9
237.12578	1.7
237.16290	2.2
238.43219	0.4
239.17818	0.5
241.12206	5.5
241.19339	0.4
243.13831	3.3
245.15343	0.6
247.13271	1.7
249.16452	2.7
251.17865	2.3
252.18655	0.5
253.11929	0.6
253.19453	5.2
255.13739	6.6
255.20897	0.4
257.15353	0.5
259.13116	0.4
263.14215	0.6
263.17963	1.6
265.19336	0.5
267.13632	0.5
269.15286	1.9
273.14709	0.5
275.17844	0.5
277.16245	0.5
277.19379	4.3
278.89426	0.4
279.17398	0.5
281.15329	2.6
281.22711	0.6
291.20981	7.7
293.22595	0.7
295.16830	2.4
295.20255	0.7
301.19321	1.8
309.18521	0.6
309.21960	5.6
319.20474	9.6
327.23029	0.8
337.21536	75.6
338.21872	2.2
355.22592	86.2
356.22903	2.8
373.23636	100.0
374.23975	3.3
397.23453	0.6
415.24725	2.4
433.25726	11.6
483.43863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	6.5
57.07068	18.3
61.02901	1.6
65.03893	1.8
67.05490	27.7
69.03417	18.6
69.07048	60.8
71.04964	5.5
71.08604	7.3
72.40388	1.0
73.02889	1.3
79.05472	10.8
81.03384	5.2
81.07033	100.0
83.04947	1.3
83.08112	1.6
83.08598	37.8
85.02885	40.3
85.06519	10.3
85.10175	2.3
87.04451	9.4
91.03949	1.1
91.05458	4.5
93.07022	24.5
95.04941	2.1
95.08581	99.8
96.08929	1.1
97.02874	19.2
97.06483	5.8
97.10141	23.1
99.04454	1.5
99.08066	7.0
105.07021	6.6
105.59020	1.1
107.04920	1.7
107.08569	30.0
109.02844	2.2
109.06480	6.0
109.10135	69.1
110.10473	1.3
111.08054	4.3
111.11705	20.7
113.09613	1.4
115.03910	10.4
119.08559	4.5
121.10130	16.8
123.11676	44.9
125.13264	10.1
126.42731	1.1
127.03883	8.6
131.08492	1.6
133.04933	6.6
133.10069	2.6
135.11671	13.5
137.05956	2.1
137.09587	4.5
137.13229	24.2
139.14806	2.3
145.02794	5.0
145.04970	7.9
145.10133	1.8
147.04333	1.9
147.11665	2.5
149.05896	1.3
149.13225	30.9
151.14781	11.3
153.12672	1.5
159.11690	1.9
163.05927	1.5
163.14772	13.2
165.09065	13.0
165.16333	4.6
166.24335	1.3
167.06949	2.3
167.14255	6.1
167.89703	1.1
169.15848	1.6
171.11668	1.9
172.18829	1.1
175.03906	1.3
177.05452	7.9
177.16310	2.5
179.17850	4.4
183.17358	1.6
191.18008	1.5
191.64575	1.4
193.19464	2.4
205.19447	1.3
207.06500	2.0
219.21008	1.5
249.25606	3.7
263.27429	1.8
275.27216	12.4
281.28314	9.5
293.28308	55.2
295.10095	1.5
299.18933	1.3
311.29373	43.1
317.24609	2.8
325.11169	2.4
329.30374	10.5
425.32452	1.5
437.32541	1.2
443.14188	1.1
443.33844	1.6
455.33517	1.9
473.34564	1.7
803.30878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	26.0
57.07070	66.0
65.96198	4.8
67.05491	74.1
69.03405	12.8
69.07047	32.6
70.95152	6.6
71.08611	39.3
79.05477	46.0
81.07034	100.0
83.04955	10.4
83.08586	8.8
85.02878	6.9
85.10169	24.9
91.05460	61.2
93.07021	67.3
95.08583	74.8
97.10152	9.0
105.07010	32.0
107.08585	34.7
109.10143	25.9
117.07005	13.5
119.08541	31.1
121.10107	11.5
131.08542	25.3
133.10101	21.1
135.07962	5.6
147.11562	8.7
159.11612	7.1
162.20226	5.5
162.23149	5.4
202.28221	5.0
229.14505	5.5
257.18887	6.0
269.17374	13.2
275.19934	23.4
313.27274	82.0
349.23715	11.5
357.64493	6.1
507.40161	47.9
547.43250	11.9
587.46619	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	803.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	4.0
57.07064	18.7
67.05485	28.3
69.03412	14.9
69.07049	67.5
70.07398	1.0
70.31053	0.8
71.04956	2.4
71.08595	8.1
79.05470	10.9
81.03428	3.8
81.07031	95.8
83.04963	1.7
83.08598	36.0
85.02880	23.6
85.06531	14.2
87.04452	6.0
91.05469	4.9
93.07024	21.2
95.04987	1.4
95.08577	100.0
96.08894	1.1
97.02857	15.0
97.06491	1.6
97.10136	24.6
99.04453	2.4
99.08061	8.6
105.07024	2.1
107.08569	24.0
108.08946	1.2
109.02832	1.1
109.10133	68.1
111.08053	5.9
111.11698	19.6
113.09612	1.5
113.53435	1.0
114.68254	1.0
115.03927	5.3
116.27220	1.0
117.07066	1.0
119.08570	4.4
121.10109	15.9
123.11678	34.1
123.12543	1.9
125.01118	1.1
125.13219	10.1
127.03894	5.4
127.11135	4.1
129.06982	1.1
131.08485	1.5
133.04936	4.3
133.10092	1.9
135.11644	12.6
135.91524	0.9
137.05975	1.4
137.09610	1.9
137.13222	22.9
139.69476	1.1
145.02855	3.7
145.04938	4.6
145.10196	1.5
147.04420	1.4
147.11755	1.4
149.13235	21.8
151.14767	8.7
155.14334	1.4
159.07961	1.6
159.11623	1.5
163.05960	1.1
163.14847	9.0
165.08990	6.8
165.16360	5.9
167.07013	1.3
167.14316	5.0
169.10085	1.1
169.15869	1.7
173.13104	1.1
177.05505	2.1
177.16409	4.0
179.03281	0.9
179.17934	4.4
181.04951	1.1
191.17909	1.9
193.19505	4.0
205.19478	4.5
207.06705	1.0
207.21054	1.7
219.20996	1.7
223.20493	1.1
263.27368	1.2
275.27237	9.0
281.28296	21.5
293.24960	1.4
293.28290	41.3
295.10202	1.7
311.29346	48.7
312.29785	1.5
319.82666	1.1
329.30383	18.5
455.33621	1.7
473.34521	1.5
491.35489	1.9
519.72638	1.3
723.48987	1.1
803.56171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.9
57.07059	3.3
59.04993	0.7
61.02919	8.1
67.05492	12.4
69.03415	20.6
69.07056	12.5
71.04978	3.9
72.08155	1.3
73.02897	4.1
79.05472	8.0
81.03392	6.9
81.07036	27.5
83.04956	1.2
83.08598	11.6
85.02887	100.0
85.06506	2.7
87.04446	1.8
91.03941	4.6
91.05470	5.2
93.07021	15.4
95.04939	3.1
95.07996	1.7
95.08585	36.5
96.08907	0.8
97.02870	23.3
97.10168	3.6
99.04439	3.3
103.03945	0.9
105.07022	11.9
107.08569	26.6
109.02850	8.2
109.10133	38.6
109.10841	1.4
111.08038	0.9
113.05980	3.2
115.03915	3.7
119.08553	16.1
121.10118	17.0
123.08039	1.0
123.11668	13.4
125.09586	1.7
127.03889	21.1
131.08531	4.7
133.10089	14.6
135.11671	16.0
137.13214	9.0
139.12575	0.9
143.08551	1.3
145.04939	28.5
145.10136	7.2
147.11653	14.7
149.13257	11.6
151.11153	1.2
151.14885	1.2
157.10104	1.3
159.11635	7.5
161.13185	9.4
163.05962	12.1
163.14754	8.2
165.09026	1.0
171.11655	1.9
173.13234	5.4
175.14758	6.9
177.05490	0.8
177.16396	3.3
185.13231	1.8
187.14821	4.6
189.16321	8.4
190.16736	1.1
191.17874	11.8
199.14790	0.9
201.16258	6.0
203.17891	7.0
205.19473	1.6
213.16360	1.2
215.17966	3.6
217.19437	6.3
219.21425	0.9
227.17937	1.2
229.19576	3.1
235.35123	0.9
241.19516	1.4
255.21042	3.3
269.22583	3.5
275.27441	1.1
283.24185	1.1
293.28510	0.8
295.24182	1.2
299.27261	6.1
310.96426	1.0
314.53970	0.9
325.11194	8.6
325.28860	13.1
343.29840	19.6
361.30881	4.3
367.33484	1.6
407.36700	19.8
423.35995	1.8
425.37759	4.6
443.34799	1.2
567.92139	0.8
707.29218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62291	2.0
61.02909	4.3
61.31165	2.0
61.75106	2.0
65.52876	2.2
67.05499	3.0
69.03400	3.5
69.07060	3.4
73.02901	3.9
73.88001	2.5
74.83952	2.4
79.05486	3.0
79.12896	2.3
81.07063	2.3
84.01013	2.1
84.39090	2.5
85.02849	4.7
91.03895	3.8
93.06989	3.2
95.08591	2.3
97.02859	2.7
141.04520	2.2
187.52646	2.5
326.10339	2.7
383.38992	3.0
519.28979	5.6
564.20892	2.7
722.88446	2.8
777.81982	2.6
801.54645	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	802.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	25.2
57.07287	2.7
59.27315	2.8
65.02090	2.9
66.44463	2.6
67.05497	25.0
67.45212	2.8
69.03418	25.8
69.03714	2.6
69.07051	55.9
71.04973	13.9
71.08614	6.8
73.55846	2.7
79.05436	12.1
81.07052	42.0
81.28307	3.2
83.08609	48.2
85.02888	58.5
85.06503	7.5
85.10168	3.7
91.05454	20.8
92.08585	5.9
93.07030	24.6
95.04930	21.5
95.08585	65.7
97.02866	16.0
97.10140	18.6
105.07011	27.9
107.08582	27.9
109.10125	39.7
111.11616	3.8
113.06004	38.6
117.07031	11.2
117.20758	3.0
119.08570	22.8
121.10121	19.2
123.11686	18.5
127.03867	15.5
129.07008	6.5
131.08545	18.3
133.06345	3.5
133.10098	30.4
135.11674	21.1
137.13245	25.7
143.08536	7.7
145.04918	7.3
145.08481	4.3
145.10101	45.0
147.11650	23.1
149.13206	12.2
155.08487	5.4
157.10098	26.1
159.11623	24.1
161.09639	5.6
161.13261	7.5
163.11151	3.0
163.14656	3.6
169.10037	6.2
171.11681	15.9
173.09653	3.8
173.13243	12.2
175.11160	18.0
175.14838	7.6
175.66223	3.1
183.11688	12.5
185.13239	15.2
187.11136	5.3
187.14824	6.5
189.16299	4.4
191.17982	5.2
195.11687	14.9
197.13211	5.8
199.14853	6.5
201.16438	4.6
207.11635	5.9
209.13188	15.5
211.14763	13.4
213.16335	12.1
219.17415	3.3
223.14903	4.7
225.16260	4.5
227.17769	4.9
237.16275	4.3
239.17941	14.9
241.19409	7.8
249.16289	3.5
251.17871	16.1
253.19420	7.0
269.19034	26.1
271.20398	4.4
287.19867	11.6
295.20682	4.0
295.23941	4.9
313.21341	3.9
323.23538	6.4
325.11102	4.4
341.24622	3.9
343.29788	4.4
367.29684	5.1
371.22070	22.0
379.33453	14.6
389.31882	14.9
397.34494	16.9
407.32910	71.7
425.33984	100.0
433.75574	3.4
488.07913	3.4
537.28082	60.5
538.28552	11.6
553.25513	29.0
650.90338	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	800.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05694	0.7
63.22517	0.7
63.98100	0.6
66.59369	0.8
67.05488	1.2
84.08128	23.2
85.06495	0.7
85.46172	0.8
86.09689	100.0
95.04916	2.7
98.09664	0.9
99.05582	1.7
100.44175	0.7
112.11195	3.6
113.06001	1.6
120.08079	39.1
138.09146	3.5
146.09549	1.1
152.14357	1.2
154.15869	10.9
157.13356	9.7
160.94212	0.8
166.08643	4.8
175.08669	3.1
178.31648	0.8
183.11282	1.6
185.12814	10.0
188.14362	3.6
199.18031	17.0
225.19577	3.3
227.17551	12.9
231.14946	4.6
231.74464	0.9
233.16457	4.7
251.17564	1.9
253.19038	3.5
259.14359	1.8
261.15939	1.7
267.24268	4.4
277.15314	1.2
279.16992	1.7
295.23819	1.9
298.21216	4.7
301.22702	1.5
329.22137	0.9
330.18069	1.1
340.25961	1.3
390.23758	1.4
411.29538	3.7
503.31897	1.6
505.33508	1.4
524.37677	1.8
616.40485	1.6
669.42957	3.8
671.44238	3.9
711.47528	0.9
754.52393	1.6
765.64398	0.9
768.06512	0.8
782.51703	11.8
800.52905	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	799.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
61.02910	9.1
64.17275	1.4
67.05499	7.1
69.03413	2.3
69.07066	2.0
73.02898	5.3
76.56776	1.4
79.05496	2.8
81.07040	11.3
85.02904	3.5
91.03952	5.6
91.05470	2.7
93.07021	2.9
95.08610	7.6
97.02893	6.7
101.02332	1.6
103.60433	1.4
105.07059	2.0
107.08633	2.2
109.10117	1.8
131.67012	1.4
151.05531	1.5
181.83958	1.4
203.05141	1.5
243.08458	1.9
519.29297	5.6
521.31049	3.1
730.40930	1.5
752.63531	1.5
799.53125	100.0
800.53656	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	800.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	8.2
57.03656	0.8
57.07064	1.4
59.04988	10.1
61.02909	5.7
61.84769	0.9
62.06066	4.2
65.03913	1.8
67.05489	25.8
68.99773	4.1
69.03415	51.8
69.07047	4.9
70.46582	0.9
71.01344	0.9
71.04977	17.0
73.02906	9.8
79.05472	20.2
81.03396	41.2
81.07023	9.8
81.30689	1.1
83.01276	1.0
83.04962	4.4
83.08614	1.2
85.02885	100.0
85.06526	15.9
87.00809	41.3
87.04449	5.4
91.03934	4.4
91.05442	6.7
92.09394	0.9
93.07025	10.0
95.04940	56.8
95.08589	8.8
97.02869	52.9
97.06506	30.4
99.04425	21.5
103.03930	0.9
105.01842	32.2
105.07008	17.1
107.08568	44.0
109.02863	41.7
109.03606	1.5
109.06498	4.2
109.10114	2.5
111.04431	4.9
113.05982	54.6
115.03885	1.7
117.01857	6.0
117.06999	6.0
119.04964	1.0
119.08566	9.0
121.10127	7.4
127.03889	80.6
129.01793	8.8
129.07036	1.3
131.08528	20.7
133.10088	7.3
135.11699	2.4
137.06017	3.6
143.08551	7.7
145.04941	40.1
145.08611	8.8
145.10103	33.1
147.02852	4.1
147.04321	1.1
147.07988	1.8
147.11624	13.2
149.05997	2.1
149.09651	2.1
149.13232	1.4
151.07576	1.2
155.07040	1.4
155.08435	1.9
157.10112	5.1
159.02847	32.8
159.08051	2.1
159.11661	11.6
161.09628	4.4
161.13248	2.1
163.11188	1.7
165.12691	2.5
169.10071	4.0
171.11650	4.6
173.09586	18.5
173.13228	2.0
175.07474	1.8
175.11153	6.8
177.03947	1.4
177.12770	2.4
183.11678	2.3
185.13232	1.7
187.11066	4.3
187.14676	1.4
189.03934	4.2
189.12683	1.7
191.10603	13.9
191.14293	2.5
195.11775	1.4
199.14879	1.1
201.12758	1.7
203.10577	1.7
205.12244	1.1
208.53091	1.2
211.11183	1.5
213.04016	4.6
213.12773	1.1
221.08047	2.2
229.12503	1.2
231.04956	39.8
239.09103	4.2
245.26515	1.1
249.05960	13.4
251.17981	1.2
253.19467	15.3
271.20541	10.2
275.07495	2.0
277.19287	1.0
289.21719	1.3
291.21164	1.4
319.20432	6.1
325.09094	2.3
337.21539	21.9
343.10217	9.5
355.22574	21.9
361.06790	1.4
361.11154	41.1
361.15338	1.9
373.23666	43.4
374.23914	1.0
391.24698	58.2
409.25809	10.1
459.34894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46338	3.9
59.04994	42.6
61.02924	4.6
62.05543	4.0
64.33453	4.1
67.05479	26.2
69.03409	54.1
69.07085	3.6
71.04979	18.0
73.02903	5.0
77.90450	4.3
79.05463	8.2
81.03388	48.0
81.07031	17.8
83.04969	85.3
85.02890	64.3
85.06509	4.3
87.04451	6.7
93.06975	16.3
93.78757	3.8
95.04943	81.5
95.08599	10.1
96.57625	4.1
97.02869	100.0
97.06516	27.1
99.04415	9.0
101.05994	32.8
105.06992	6.6
107.08575	18.2
109.02874	47.8
109.06551	5.0
109.10136	8.4
113.05999	28.9
119.06989	17.6
119.08579	5.5
121.06445	4.1
121.10114	14.9
127.03893	56.1
131.08542	5.6
133.10086	7.6
133.88574	3.7
137.06029	4.3
137.09540	4.2
145.04926	37.0
145.10103	6.0
147.11784	4.4
149.13223	7.4
157.10060	4.6
159.11720	6.9
162.66621	4.2
167.06999	3.9
168.54163	4.3
173.13213	4.6
185.13240	4.7
187.05936	16.8
189.16211	5.8
209.07913	5.1
219.63524	4.5
221.08084	5.4
227.09160	10.3
239.09102	7.7
245.10130	51.3
263.11243	30.6
339.23129	10.3
357.15369	25.7
357.23969	6.2
375.25299	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	797.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
57.03661	0.3
57.07049	0.4
61.02911	6.9
63.02238	0.4
66.41026	0.4
67.05483	5.9
69.03413	3.6
69.07056	1.6
71.01358	0.4
71.04996	0.4
73.02898	5.5
77.22446	0.4
79.05446	4.1
81.03397	2.1
81.07034	7.2
83.08652	0.6
83.62026	0.4
85.02884	6.1
90.86859	0.4
91.03933	3.8
91.05466	2.2
92.09310	0.4
93.07021	4.9
95.04990	0.7
95.08585	5.4
97.02883	5.1
99.04445	1.4
101.02386	2.2
105.07034	0.9
107.08564	2.8
109.10154	1.7
117.68080	0.4
119.08549	0.7
121.10143	1.8
127.03944	1.6
131.08566	0.8
133.10110	0.8
135.11691	0.8
156.53273	0.4
185.04256	0.7
243.08308	2.8
260.32959	0.4
335.26062	0.9
342.49472	0.4
519.29230	10.6
519.36609	0.5
568.62585	0.4
609.37970	0.5
797.51581	100.0
798.52350	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	796.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	28.3
57.07070	14.7
66.66554	6.5
67.05499	85.6
69.07056	52.3
71.08617	12.9
79.05477	45.3
81.07031	98.0
83.08611	37.4
91.05444	10.1
93.07029	60.7
95.04924	9.6
95.08592	94.0
97.10155	17.8
105.07021	14.9
107.08572	38.8
109.10143	16.0
119.08586	10.3
119.77647	6.9
120.45839	7.8
121.10130	41.2
135.11702	15.9
145.10146	11.5
149.13219	10.8
184.07318	12.1
229.39499	9.4
261.22000	16.0
283.64926	8.2
335.25793	81.3
339.28928	100.0
599.50238	55.9
606.03815	8.2
617.51318	13.2
764.38428	8.2
782.45892	8.1
811.58752	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	796.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46114	1.5
57.03431	19.6
57.07059	7.8
61.02919	3.1
65.03920	2.7
67.05140	3.9
67.05489	89.9
69.03379	1.7
69.07054	37.5
70.97041	1.8
71.08613	2.3
77.11909	2.1
79.05476	29.1
81.07039	100.0
83.08607	26.1
83.67879	1.9
85.02870	2.8
91.05458	19.1
92.08665	10.4
93.07023	38.6
95.08584	78.9
97.06517	3.1
97.10138	10.0
105.06993	16.4
107.08550	15.4
109.10134	30.3
111.08062	3.3
119.08549	15.5
121.10107	13.4
123.11668	11.9
133.10072	11.3
135.11647	11.4
145.10062	2.6
147.11673	5.1
149.13211	2.4
157.10132	2.4
161.13165	3.5
163.14780	3.6
190.14307	2.2
203.40324	2.1
241.17778	2.2
253.54318	2.1
263.23535	3.5
293.71930	2.0
335.25757	2.9
336.35022	2.3
337.27295	85.7
339.28842	4.7
599.50287	34.0
617.51215	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	796.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	7.0
57.07061	1.3
59.04988	0.9
61.02912	10.1
64.13715	0.6
66.93995	0.7
67.05499	4.9
68.06932	0.7
69.03416	24.6
69.07050	3.0
71.04984	4.3
73.02900	3.5
77.73454	0.8
79.05469	1.5
81.03401	10.9
81.07031	9.3
83.01313	0.8
83.08626	1.0
85.02888	100.0
85.06528	3.5
87.04446	3.4
91.03941	3.3
91.05463	1.9
93.07037	7.1
95.04946	4.6
95.08597	13.5
97.02864	30.0
99.04440	3.5
105.07014	5.4
107.08585	14.2
107.88347	0.7
109.02847	8.9
109.10144	10.5
113.05960	10.5
115.03876	1.0
117.06984	1.1
119.08559	11.2
121.10097	7.3
123.11682	4.8
127.02974	0.9
127.03898	18.4
129.06990	0.9
131.08521	6.9
133.10097	9.4
135.11710	7.3
137.13214	0.8
143.08591	1.8
144.06546	1.4
145.04945	21.5
145.08632	1.6
145.10126	7.3
147.11700	3.8
149.13239	4.5
156.16986	0.8
157.10127	4.6
159.11623	9.1
161.13199	5.3
163.06013	7.3
163.14786	6.3
171.11667	4.7
173.13248	6.2
175.07463	1.1
175.14813	4.6
177.16328	1.1
177.87572	0.8
180.08626	1.0
183.11594	1.2
185.13185	2.9
187.14809	3.1
189.16350	1.4
191.17978	1.3
199.14789	1.5
201.16357	5.1
203.17908	1.8
211.14725	0.9
213.16382	1.7
215.17896	10.5
225.16357	1.6
226.06839	0.8
227.17896	3.4
229.19464	12.7
231.25255	0.8
239.17955	1.1
241.19492	3.9
243.20888	1.4
255.20956	3.7
261.18542	5.5
269.22702	1.4
271.16895	1.3
273.18521	0.8
275.20050	3.6
285.18521	1.0
287.19946	4.2
295.24127	3.9
299.20099	1.4
310.21829	0.8
327.23294	1.1
353.06058	0.9
371.22003	8.1
372.22470	1.1
391.33572	6.6
409.34628	10.4
437.34055	18.4
455.35165	31.7
537.28149	12.0
538.28448	12.6
539.28906	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	795.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57409	1.0
87.04479	1.5
90.04102	1.6
92.63792	1.2
95.87302	1.3
106.62469	1.2
123.56580	1.3
128.88654	1.3
202.62970	1.2
222.76276	1.3
494.32089	1.6
635.31714	1.7
691.40070	5.2
795.42755	100.0
796.43500	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67453	0.6
56.10763	0.6
57.03170	1.2
57.03426	18.6
57.07064	7.2
60.46889	0.7
61.02908	4.3
65.03923	3.8
65.69994	0.6
67.05489	98.2
69.03389	0.7
69.07050	35.7
71.04976	3.1
71.08604	1.3
73.02902	1.0
79.05471	49.1
80.30831	0.6
81.07035	100.0
83.04955	2.8
83.08607	19.0
85.02890	4.6
85.06537	1.5
87.04464	0.8
91.05457	25.7
91.06006	1.6
92.09329	0.8
93.07021	58.8
95.04973	5.4
95.08583	79.6
97.02824	1.3
97.06498	4.8
97.10150	7.5
99.08064	1.0
105.07012	21.1
107.08569	32.4
109.10141	30.0
109.10847	1.4
111.08084	1.7
111.11710	0.7
117.07000	4.7
119.08564	16.6
120.41656	0.7
121.10120	21.2
123.08064	1.3
123.11690	11.3
125.09579	1.1
131.08554	12.1
133.10103	13.7
135.11661	13.1
137.09587	1.5
137.13266	3.9
145.10062	6.0
147.11668	8.9
149.13245	9.2
151.14781	0.8
157.10049	1.3
158.06577	0.8
159.11678	6.0
161.13203	7.6
163.14835	5.5
171.11774	1.5
173.13210	6.0
175.14796	3.0
177.16309	1.3
185.13225	0.9
187.14801	3.2
227.63945	0.9
243.21092	4.7
245.22545	1.0
259.20554	3.2
261.22110	12.0
263.23694	3.9
333.24152	1.8
335.25708	45.6
337.27307	54.2
339.28983	3.7
427.22617	0.8
523.44928	1.1
541.45636	0.8
597.48663	20.8
615.49829	20.9
763.99817	0.9
773.44415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55193	0.4
57.03418	0.5
58.56839	0.4
59.11635	0.4
65.03925	4.3
67.05482	2.8
69.03418	3.7
69.07043	1.0
71.04986	0.6
72.37848	0.5
72.63970	0.5
75.02614	0.5
77.78083	0.5
78.04699	1.1
79.05472	6.6
81.03391	4.5
81.07021	3.1
82.04175	1.0
83.08558	0.6
85.02885	7.7
91.05457	6.9
93.03389	1.0
93.07020	1.2
95.03246	0.4
95.04963	5.1
95.08581	2.6
97.02878	2.9
97.06512	2.0
102.04752	0.5
103.05444	22.5
105.03374	1.0
105.07014	11.5
106.43781	0.5
107.04938	11.3
107.08567	2.3
108.11795	0.5
109.02859	1.0
109.06452	1.8
109.10130	2.5
110.03634	3.5
111.04408	2.3
115.05439	8.3
117.06998	8.2
118.04150	5.5
119.04926	7.5
119.08547	1.2
120.05686	0.6
121.06504	4.2
123.04377	4.9
124.05198	3.2
125.05971	5.1
127.03876	1.0
128.06097	0.7
129.06979	2.4
130.04152	0.9
131.04901	27.5
131.08542	1.3
132.05675	1.2
133.02835	5.4
133.06454	13.3
133.10123	0.8
134.03520	1.0
134.54080	0.5
135.08037	2.4
137.05951	8.9
137.09557	1.0
137.13393	0.6
138.03082	2.4
141.06961	1.0
142.02560	2.5
143.04910	1.8
143.05923	0.6
144.05684	2.5
145.02800	1.2
145.04900	0.5
145.05203	0.6
145.06459	10.0
146.03592	0.9
146.07190	0.9
147.04373	10.0
147.07971	4.6
148.05173	12.8
149.05946	4.8
151.03915	4.1
151.07518	2.8
152.04674	2.1
153.05397	4.5
157.06438	1.2
159.07988	3.5
160.05115	2.4
161.05960	17.0
162.06679	1.0
163.07503	31.0
165.05444	2.3
165.09088	2.1
167.06999	81.5
168.07291	0.6
171.04350	0.7
171.06488	7.0
172.05080	0.6
173.05925	11.2
174.06650	1.2
175.03810	0.6
175.07475	5.9
176.04712	3.6
177.05432	4.5
177.09087	0.9
179.06970	5.2
179.08441	1.0
180.04198	0.6
181.04916	92.2
182.05310	0.6
183.04372	0.6
185.05943	0.9
187.07483	4.8
189.05423	2.6
189.09171	0.8
190.06174	3.4
191.06990	100.0
192.07529	0.9
193.04906	1.1
193.08542	2.5
194.07066	0.7
195.06479	3.9
201.05379	2.2
201.09091	0.6
203.06967	3.8
205.08560	6.8
207.06454	2.4
207.08128	1.2
207.10065	2.0
209.08090	3.8
214.06131	0.6
217.08499	6.2
219.08125	0.8
219.10095	6.0
220.07253	0.6
221.08003	2.1
225.07399	1.0
226.31909	0.6
229.08586	1.0
233.05937	0.9
233.08011	7.9
235.07472	3.2
235.09608	7.6
237.09230	0.9
241.08551	0.8
245.08057	2.8
252.07773	1.1
253.08614	0.7
257.07993	0.7
263.09091	27.5
265.08344	1.0
265.10785	0.7
267.10107	5.0
269.11676	0.7
271.05579	0.6
271.09244	0.6
279.10025	1.3
281.08197	0.8
293.07968	0.7
294.08759	0.7
295.09540	1.0
297.11304	1.2
299.09137	0.5
307.09552	1.2
321.11157	0.7
323.09210	1.1
325.10666	4.2
329.10199	0.7
331.11655	0.9
337.10526	2.8
339.11926	0.8
351.11935	0.7
355.11673	0.8
357.13248	8.2
359.14850	1.2
367.11777	1.9
369.13312	2.9
371.14981	0.7
381.13177	0.9
385.12720	13.1
387.14294	2.0
389.15826	0.9
399.14160	4.2
417.15353	37.1
418.15591	0.6
547.19977	0.6
549.21014	0.7
578.05859	0.6
579.22681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05503	21.8
56.67461	0.6
57.03425	15.2
57.07048	2.8
58.92630	0.7
61.02921	6.0
61.52115	0.6
65.03918	3.2
67.05492	80.7
69.03400	2.6
69.07048	20.3
69.39654	0.6
71.04967	2.6
73.02889	0.6
79.04993	1.1
79.05471	52.5
81.07036	74.7
83.04951	1.5
83.08589	7.3
85.02871	3.7
85.06516	0.9
91.05460	30.5
92.08668	0.7
93.07018	56.5
95.04942	6.8
95.08582	51.3
95.09196	1.7
97.02866	2.7
97.06491	3.2
97.10119	2.7
105.04498	1.0
105.06358	1.4
105.07002	23.0
107.08570	27.4
109.06509	1.3
109.10134	21.3
111.08076	0.8
115.05393	0.8
117.07011	9.5
119.08552	16.5
121.10123	20.2
123.11707	6.5
129.06947	2.6
130.07669	0.8
131.08531	15.8
133.10103	14.5
135.11664	11.9
137.13251	1.1
137.15669	0.7
143.08556	1.7
145.10104	9.1
147.11671	8.6
149.13217	7.2
157.10063	1.1
159.11635	7.5
161.13223	5.8
162.43892	0.7
163.14777	4.1
171.11652	0.9
173.13213	7.3
175.14763	2.8
183.17921	0.7
187.14778	3.8
199.14828	1.0
224.79163	0.7
231.20946	0.8
233.22583	0.9
241.19447	3.1
243.21106	5.3
259.20425	6.7
261.22037	16.0
317.24673	4.0
333.24203	6.8
335.25720	100.0
336.26065	2.9
337.27313	11.9
369.75381	0.7
371.87537	0.7
412.49356	0.7
521.43280	1.5
539.44360	0.9
595.47003	19.4
613.48254	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55891	0.7
57.03432	1.0
57.07081	0.9
65.03929	5.6
67.05489	2.2
69.03407	5.0
69.07047	1.5
76.55997	0.8
79.05480	6.1
79.68800	0.8
81.03398	5.5
81.07034	5.3
82.04167	1.2
85.02887	11.1
85.06515	1.0
91.05451	12.0
93.03365	1.1
93.07039	2.1
95.04951	5.7
95.08583	5.4
97.02866	4.5
97.06518	1.6
101.84773	1.0
103.05443	21.5
105.03387	1.1
105.07019	12.7
106.04168	1.8
107.04947	11.9
107.08573	4.9
109.02905	1.0
109.06487	1.3
109.10148	1.5
110.03629	1.6
111.04415	2.1
115.05433	9.6
117.06989	8.7
118.04145	4.2
118.37474	0.8
119.04893	7.6
119.08553	2.1
121.06446	6.7
121.10138	1.8
123.04388	7.2
124.05186	4.0
125.05966	5.2
127.03866	0.9
129.07011	1.1
130.85867	0.9
131.04895	26.2
131.08554	3.5
132.05670	1.0
133.02835	4.3
133.06461	15.8
134.03598	1.3
135.04413	1.3
135.08099	1.5
137.05949	12.9
137.09604	1.5
138.03131	1.0
142.02570	1.5
143.04932	1.8
144.05688	1.5
145.02821	4.9
145.04913	1.2
145.06491	9.4
146.03558	0.9
147.04385	9.0
147.08043	3.6
148.05148	12.8
149.05962	6.0
151.03828	6.8
151.07520	3.6
152.04694	1.3
153.05432	5.3
157.06454	1.6
159.08012	3.6
160.05157	1.0
161.05934	18.0
162.06813	1.4
162.45146	0.9
163.03816	3.8
163.07500	30.8
165.05411	1.7
165.09184	1.3
167.07001	86.8
171.06546	6.6
173.06004	12.1
175.07527	7.1
175.08969	1.1
176.04660	1.6
177.05444	10.1
178.05977	1.0
179.06998	5.8
181.04924	100.0
182.05284	1.3
187.03963	1.0
187.07526	4.4
190.06175	1.1
191.06995	97.7
193.04938	1.9
193.08615	5.0
195.06607	3.3
198.18513	6.4
199.07747	0.9
199.18790	1.8
201.05363	1.5
203.07011	3.9
205.08540	6.7
207.10114	1.7
209.08052	4.9
209.09860	1.3
217.08557	4.3
219.08197	1.3
219.10144	5.1
231.06416	1.2
233.08090	7.5
235.07590	2.0
235.09549	8.4
236.08313	1.2
244.72437	0.9
245.08069	2.1
263.09091	29.4
265.08331	1.2
265.10898	1.1
267.10178	4.7
279.10284	0.8
281.07935	1.2
295.09558	1.6
297.11298	3.6
321.31796	0.9
325.10602	5.1
339.12326	1.1
357.13156	8.1
367.11801	1.3
369.13135	1.8
371.14758	1.0
385.12741	13.5
387.14288	4.5
399.14349	5.6
417.15353	36.5
417.61703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.2
55.05497	6.0
57.03170	0.8
57.03429	16.4
57.07057	0.8
58.79533	0.4
59.04987	3.2
59.72360	0.4
60.04517	0.8
61.02910	2.7
65.03923	0.6
67.05492	10.0
69.03414	56.0
69.07053	4.4
71.04974	2.1
71.87839	0.5
73.02906	2.5
75.04453	2.5
79.05470	7.9
81.03394	7.0
81.07036	35.7
83.01322	0.6
83.04949	0.8
83.08603	3.4
85.02885	54.3
87.04446	32.9
91.03903	0.8
91.05461	10.2
93.07018	21.9
95.04943	1.4
95.08582	27.0
95.09196	0.9
97.02866	46.0
97.10130	6.8
99.04440	3.2
103.03922	1.0
105.07008	21.8
107.08572	16.7
109.02863	3.8
109.06470	0.7
109.10133	17.4
110.30502	0.6
111.04414	0.7
111.11701	0.7
115.03903	40.3
117.06988	6.8
119.08559	11.6
121.10117	19.2
123.11655	6.6
127.03880	8.4
129.06979	2.0
131.04855	0.6
131.08533	13.2
133.04936	31.8
133.05920	1.2
133.10103	37.3
135.11662	13.2
137.05910	1.0
137.09583	1.3
137.13235	2.8
139.03854	0.6
143.08549	4.3
144.09256	1.1
145.02914	0.6
145.04947	10.3
145.10103	20.1
147.11659	20.5
149.13232	19.1
149.14330	1.0
150.07602	4.0
151.11151	4.1
157.10085	4.4
159.11665	33.6
161.13216	16.8
163.06004	3.0
163.14821	3.7
165.12769	1.1
165.16420	0.7
167.07036	0.7
169.05003	1.1
171.11673	2.8
173.06152	0.5
173.13216	17.4
174.15471	0.6
175.03905	0.8
175.14799	8.5
177.05435	2.6
178.04953	1.3
180.08727	0.6
181.04950	2.3
185.13202	3.3
187.14798	17.8
189.16353	3.6
199.14749	4.6
201.16371	8.4
203.17929	2.8
213.16313	6.5
215.17960	2.4
223.05934	1.1
227.17920	4.3
241.06981	1.1
241.19456	2.4
255.21019	0.8
256.38760	0.5
257.22540	3.3
259.08029	3.8
277.09171	2.5
281.22409	0.8
283.24127	100.0
284.24445	1.2
285.25806	1.1
295.10156	8.5
300.81082	0.6
301.25159	31.4
325.11356	3.1
444.39682	0.7
449.93719	0.6
548.49854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.3
67.05481	100.0
69.07043	21.7
79.05479	76.2
81.07037	78.7
91.05443	8.2
93.07017	93.8
93.51920	8.4
95.08570	72.3
105.07031	18.0
107.08587	35.7
109.10152	14.0
119.08482	25.6
121.10094	41.2
125.28462	12.0
128.60828	9.8
131.08522	9.8
133.10199	9.5
135.11679	16.8
137.29153	10.3
145.10056	12.4
261.22025	22.0
296.65427	9.7
335.25687	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	792.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.2
55.05497	6.0
57.03170	0.8
57.03429	16.4
57.07057	0.8
58.79533	0.4
59.04987	3.2
59.72360	0.4
60.04517	0.8
61.02910	2.7
65.03923	0.6
67.05492	10.0
69.03414	56.0
69.07053	4.4
71.04974	2.1
71.87839	0.5
73.02906	2.5
75.04453	2.5
79.05470	7.9
81.03394	7.0
81.07036	35.7
83.01322	0.6
83.04949	0.8
83.08603	3.4
85.02885	54.3
87.04446	32.9
91.03903	0.8
91.05461	10.2
93.07018	21.9
95.04943	1.4
95.08582	27.0
95.09196	0.9
97.02866	46.0
97.10130	6.8
99.04440	3.2
103.03922	1.0
105.07008	21.8
107.08572	16.7
109.02863	3.8
109.06470	0.7
109.10133	17.4
110.30502	0.6
111.04414	0.7
111.11701	0.7
115.03903	40.3
117.06988	6.8
119.08559	11.6
121.10117	19.2
123.11655	6.6
127.03880	8.4
129.06979	2.0
131.04855	0.6
131.08533	13.2
133.04936	31.8
133.05920	1.2
133.10103	37.3
135.11662	13.2
137.05910	1.0
137.09583	1.3
137.13235	2.8
139.03854	0.6
143.08549	4.3
144.09256	1.1
145.02914	0.6
145.04947	10.3
145.10103	20.1
147.11659	20.5
149.13232	19.1
149.14330	1.0
150.07602	4.0
151.11151	4.1
157.10085	4.4
159.11665	33.6
161.13216	16.8
163.06004	3.0
163.14821	3.7
165.12769	1.1
165.16420	0.7
167.07036	0.7
169.05003	1.1
171.11673	2.8
173.06152	0.5
173.13216	17.4
174.15471	0.6
175.03905	0.8
175.14799	8.5
177.05435	2.6
178.04953	1.3
180.08727	0.6
181.04950	2.3
185.13202	3.3
187.14798	17.8
189.16353	3.6
199.14749	4.6
201.16371	8.4
203.17929	2.8
213.16313	6.5
215.17960	2.4
223.05934	1.1
227.17920	4.3
241.06981	1.1
241.19456	2.4
255.21019	0.8
256.38760	0.5
257.22540	3.3
259.08029	3.8
277.09171	2.5
281.22409	0.8
283.24127	100.0
284.24445	1.2
285.25806	1.1
295.10156	8.5
300.81082	0.6
301.25159	31.4
325.11356	3.1
444.39682	0.7
449.93719	0.6
548.49854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.5
57.03419	1.3
61.02906	5.6
63.71119	1.2
67.05483	6.7
69.03422	2.7
72.11253	1.2
73.02900	2.8
79.05473	5.8
81.03385	3.0
81.07032	6.7
85.02896	5.2
87.26913	1.2
91.03932	2.3
91.05483	2.8
93.07037	6.5
95.08597	2.7
97.02877	2.7
99.04403	1.4
105.07015	1.7
107.08571	1.7
109.10144	1.6
110.48996	1.2
119.08545	1.7
128.00078	1.4
131.08551	1.7
163.41199	1.2
175.04538	1.4
243.08327	1.3
295.15182	2.5
333.98227	1.4
346.79025	1.3
513.23145	9.4
519.29248	5.0
790.47260	2.2
791.45288	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	791.455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87633	1.9
61.02917	4.2
66.95946	2.1
67.05533	6.6
69.03426	2.4
69.07053	2.6
73.02906	3.0
73.60900	2.0
79.05480	4.1
81.07026	3.8
85.02905	3.7
89.06000	3.7
91.05474	7.6
92.08786	5.5
92.09291	2.9
93.07018	4.8
95.08587	4.0
97.02858	2.8
109.10100	3.9
147.04459	2.8
214.21545	2.4
271.46716	2.3
290.61914	2.7
295.15100	4.7
349.48853	2.2
513.22815	3.4
519.28955	4.5
791.31458	4.0
791.45270	100.0
792.45160	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	789.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.2
55.05507	24.7
57.03414	20.1
58.28130	2.9
59.33044	3.1
67.05492	85.4
68.19990	2.4
69.07056	23.2
79.05475	62.2
81.06597	5.0
81.07037	100.0
83.04948	6.4
83.08582	4.0
84.15578	2.8
85.06506	2.9
91.05460	64.7
93.07027	67.0
95.04943	12.5
95.08581	54.9
97.06523	5.8
105.07008	56.5
107.04949	12.3
107.08575	35.1
109.06504	20.4
109.10127	24.6
111.08054	2.9
117.06998	16.5
119.08544	35.4
121.06506	3.8
121.10128	25.9
123.11704	5.7
129.07022	3.9
131.08545	29.1
131.41595	3.2
133.10112	30.0
135.07986	5.1
135.11684	16.0
145.10085	15.5
147.11688	14.6
149.13203	3.6
159.11636	11.9
173.13226	3.8
184.79581	2.6
219.17406	69.7
275.20044	26.1
331.63806	3.2
335.25729	65.1
349.23642	14.6
425.53522	3.6
609.45056	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.9
55.05495	26.4
57.03422	19.5
57.83365	4.2
58.85732	3.6
67.05493	91.4
67.76047	4.2
69.00537	4.4
69.03421	6.1
69.07056	39.2
71.32105	5.6
79.05463	56.4
80.33632	4.3
81.03393	19.5
81.06599	7.0
81.07039	100.0
83.04949	7.6
83.08606	5.8
85.06536	4.7
91.05462	77.3
93.07030	67.6
95.04926	9.2
95.08587	54.7
97.02867	6.6
105.06992	37.4
107.08571	30.0
109.10101	17.0
110.39793	4.9
117.07008	30.0
119.08539	34.8
121.10135	27.8
129.07040	8.8
131.08557	37.7
133.10109	30.8
143.08578	5.4
145.10094	16.9
147.11658	7.9
159.11604	7.4
199.14853	5.3
215.64825	4.9
275.20102	6.5
291.19617	4.9
335.25690	52.8
529.38654	7.4
569.41705	26.3
609.45099	9.9
786.14374	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	790.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05496	1.4
57.03422	18.8
57.07053	1.2
59.04982	4.5
61.02916	5.4
61.30699	0.6
67.05481	5.0
69.03411	61.7
69.07043	3.6
71.01311	0.7
71.04967	3.2
73.02887	3.9
73.32101	0.7
75.04454	4.6
79.05455	3.8
81.03395	7.6
81.07037	9.8
83.04961	1.5
83.08613	1.7
85.02882	100.0
85.06521	7.8
87.03932	1.5
87.04446	34.1
91.03934	4.2
91.05451	4.6
92.09005	5.6
93.07037	5.4
95.04956	1.0
95.08601	7.7
97.02865	59.8
97.10146	1.1
99.04414	5.5
105.07016	8.8
107.08581	7.7
109.02828	7.9
109.10151	5.4
110.10448	1.0
111.04434	0.9
115.03902	44.6
117.06987	1.4
119.08572	6.3
121.06432	0.9
121.10102	5.2
123.04372	1.0
123.11663	2.6
127.03884	17.3
129.06918	1.2
131.08516	8.2
133.03941	1.5
133.04938	36.4
133.10110	4.3
135.11665	4.1
137.09534	1.4
139.66498	0.9
143.08516	3.5
145.04927	23.2
145.10083	5.2
147.11646	7.5
149.13248	8.2
155.08586	1.0
157.10115	3.3
159.11661	8.8
161.05916	1.5
161.13205	15.2
163.06020	9.3
165.09071	1.2
169.04919	1.6
169.10110	0.9
171.11688	6.5
173.13242	3.7
175.14751	3.6
177.05411	3.1
185.13225	3.9
187.14793	1.5
189.12677	3.8
193.04904	0.9
195.61639	0.9
197.13222	1.7
199.14815	3.4
201.16273	1.0
211.14763	3.0
213.16339	1.1
215.14459	0.9
225.16335	3.2
239.17856	0.8
241.06882	0.9
247.68771	0.8
255.21074	1.6
259.08054	6.2
277.09125	1.8
281.19800	1.0
281.22610	22.5
288.15628	0.8
289.09198	0.9
295.10156	7.5
299.20822	1.0
299.23605	28.6
317.24716	6.9
325.11179	9.4
349.14032	0.8
382.74258	0.9
519.44641	1.0
582.65363	1.0
611.39941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
56.99831	0.2
57.03432	2.3
68.92400	0.2
68.99760	1.1
69.03412	0.3
71.04977	14.4
73.02879	0.3
75.04443	0.8
81.03364	0.2
83.04929	1.0
85.02891	14.4
87.04444	0.3
88.63560	0.2
91.05451	0.2
97.02850	0.5
105.06992	0.2
109.02815	0.4
111.04356	0.2
115.05461	0.2
117.76921	0.2
121.02849	0.3
121.06469	1.0
127.03909	0.4
129.05493	2.2
137.02296	0.4
137.70972	0.2
145.04855	0.2
147.04427	0.4
147.06512	0.5
149.11572	0.2
153.01808	0.5
161.05974	1.2
171.04375	0.4
177.05394	0.5
179.03391	0.2
189.05449	3.5
199.03885	1.0
203.03354	1.0
217.04919	21.1
223.66122	0.2
227.03302	1.3
245.04404	25.4
246.05092	0.2
246.23119	0.2
248.05225	0.2
255.02902	1.0
273.03879	49.1
274.04190	0.4
301.03375	100.0
302.03668	1.9
303.05017	0.5
435.09219	1.6
463.08618	2.2
764.45984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	2.2
55.05503	34.6
57.03421	4.1
57.06804	2.7
57.07066	41.0
61.02912	2.6
62.18494	1.6
67.05492	18.6
69.03419	27.3
69.07053	100.0
71.08296	1.6
71.08618	26.9
75.04465	1.8
79.05478	3.6
81.03380	3.0
81.07037	65.9
83.04993	1.6
83.08604	70.9
85.02891	63.8
85.06525	4.0
85.10159	12.7
87.04454	11.7
91.05467	3.3
92.08633	3.8
93.07008	7.1
95.04949	2.4
95.08004	2.9
95.08584	70.4
96.45084	1.7
97.02868	25.1
97.10144	51.3
99.04424	2.4
99.08082	7.8
99.11672	1.8
105.07009	9.2
107.08556	7.0
109.02874	2.9
109.06506	2.3
109.10136	48.7
109.59657	1.7
111.11712	36.6
115.03905	11.7
119.08528	3.9
121.10141	4.0
123.11673	22.9
125.13253	19.5
127.03898	9.8
133.04951	11.6
133.10101	3.0
135.11658	2.3
137.13197	10.5
139.14818	3.7
145.02811	2.1
145.04919	10.9
145.10123	3.2
149.13229	2.4
151.14801	8.4
153.16371	1.8
155.14139	1.8
157.10141	3.0
159.11687	2.6
161.09502	2.0
163.05939	6.0
165.09094	13.1
165.16335	3.0
171.11678	1.9
177.05420	4.0
177.09035	1.8
181.18082	1.6
193.19543	2.4
195.21120	3.0
213.22084	8.0
277.28748	8.3
283.29834	8.5
295.10233	2.3
295.29874	42.6
313.30911	10.0
325.11078	1.9
357.03104	1.8
399.32257	2.3
403.32388	1.8
427.32196	2.1
443.23016	1.7
755.28448	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	787.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82248	1.6
55.01878	1.8
55.05501	32.1
55.96172	1.5
57.03430	10.7
57.07068	44.3
57.72266	1.6
58.60762	1.5
59.05019	1.6
61.02923	3.8
62.88365	1.6
63.16527	1.7
67.05501	21.4
69.03420	28.9
69.07055	100.0
71.04978	2.1
71.08611	25.5
73.02912	2.7
79.05477	2.2
81.03409	6.9
81.07036	57.0
81.07477	3.1
83.08607	64.0
83.09089	2.6
85.02888	66.2
85.06532	7.1
85.10159	12.9
87.04443	16.8
91.03937	3.4
91.05457	2.5
93.07002	12.7
95.04957	2.2
95.08585	77.4
97.02882	23.2
97.10150	47.7
99.04413	2.4
99.08080	6.9
105.06999	4.1
107.08569	4.0
109.02873	4.2
109.10137	43.3
111.08040	1.9
111.11710	34.0
115.03919	9.8
115.99677	1.8
119.08580	6.6
121.10141	3.1
123.04428	1.8
123.11649	19.5
125.13248	14.9
127.03890	12.3
131.08533	3.7
133.04967	11.3
133.10124	4.3
135.11650	3.3
137.09636	2.6
137.13252	12.9
139.14824	7.3
143.08511	1.7
145.04898	12.2
145.10149	2.2
147.06212	1.8
147.11726	3.1
149.13298	2.3
151.14832	6.9
153.16415	2.7
157.15950	1.9
159.11673	1.8
163.06033	3.5
165.09109	12.7
165.16374	2.0
167.17834	1.9
169.15898	3.0
171.11714	2.0
177.05528	2.1
213.22034	6.3
237.02641	3.1
277.28870	8.6
283.29980	8.4
295.29895	50.6
313.30975	11.5
325.11179	2.3
341.73770	1.7
381.31451	2.2
399.33051	2.4
427.31824	2.3
428.46921	1.7
435.04669	1.9
533.92358	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	786.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
55.05514	26.1
55.09944	2.0
57.03430	23.0
58.00956	2.5
60.12886	1.9
61.02903	3.5
67.05495	100.0
69.03452	2.5
69.07047	16.0
71.04969	4.9
73.06570	2.3
73.07066	2.3
79.05472	41.8
81.03405	12.7
81.07038	54.4
83.05020	2.9
83.08591	12.0
84.65443	2.6
85.02879	6.5
85.06522	3.6
91.05471	28.8
92.09304	3.2
93.07028	47.5
95.04950	10.1
95.08572	38.6
97.06486	2.9
97.10159	3.5
105.07014	14.4
107.04956	3.3
107.08588	21.6
109.06498	4.3
109.10143	57.4
111.08097	3.5
117.07016	11.0
119.08563	12.3
121.06486	5.4
121.10137	14.8
128.76837	2.4
131.08560	14.1
133.10091	3.8
135.11687	9.9
145.10123	11.5
149.13242	5.4
159.11621	4.4
159.85178	2.5
161.13252	4.5
173.11732	12.9
187.74866	3.2
191.08705	2.6
211.87688	2.8
213.79756	2.7
223.13297	5.2
229.14311	40.8
243.21121	3.7
297.16934	14.0
326.08875	3.0
335.25769	55.3
489.35675	24.5
539.37445	3.2
557.38062	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	784.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
57.03431	0.4
57.07063	0.6
59.04988	3.4
67.05491	4.7
69.03410	2.4
69.07049	1.3
71.04965	2.6
75.34908	0.2
79.05475	0.4
81.07029	1.5
85.02897	0.4
85.06523	3.2
87.04456	1.7
91.05425	0.4
93.07024	1.4
94.04139	1.1
95.04942	7.4
95.08582	1.2
105.07005	1.3
107.08564	1.7
108.09790	0.2
109.06486	0.2
109.10127	0.9
113.05986	17.3
119.08546	0.3
121.10126	1.0
122.03627	4.2
122.04444	0.3
123.11687	0.3
127.03912	0.4
127.07596	0.3
131.08540	0.4
133.10083	1.7
135.11679	1.2
137.05956	100.0
138.06316	0.4
139.39192	0.2
145.08572	6.4
145.10100	1.5
147.11690	0.5
149.13176	0.3
151.11177	0.5
153.12740	0.4
159.11693	0.5
161.13258	0.4
170.15337	0.8
173.13176	0.5
182.15419	2.3
187.14896	0.3
211.14772	0.3
253.19576	0.5
271.20575	0.9
281.22607	2.2
294.96344	0.2
299.23718	4.5
306.20590	10.1
317.24673	3.0
418.34064	0.3
442.79953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.6287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82269	1.6
55.05493	12.3
57.03423	1.6
57.07058	2.8
60.08152	9.4
67.05496	43.5
69.07059	23.5
71.04966	2.2
71.07349	3.9
71.56898	1.3
79.05484	24.7
81.06593	2.6
81.07039	47.7
83.08601	8.1
86.09689	46.3
91.05463	9.8
93.07023	28.6
95.04921	2.1
95.08588	38.0
97.06531	2.2
97.10146	3.5
98.47025	1.6
98.98412	2.8
103.27361	2.0
104.10726	2.1
105.07019	12.5
107.08575	13.6
109.10139	22.1
111.08051	1.9
117.07026	1.9
119.08553	8.4
121.10120	16.0
124.99992	35.8
128.19128	1.5
131.08560	6.6
133.10121	7.7
134.73337	1.6
135.11646	6.5
137.09621	1.9
139.11205	7.0
145.10085	6.6
147.11687	6.5
149.13194	2.5
159.11685	3.3
161.13264	6.9
163.14841	1.7
184.07303	100.0
185.07648	3.1
187.14716	2.0
243.20929	2.2
255.35178	1.6
261.22018	3.5
279.23117	21.4
297.24225	2.5
399.32874	2.3
417.33527	3.8
435.34695	5.8
447.93134	1.6
557.45172	6.5
588.74982	2.0
593.47418	1.9
628.81860	1.8
713.56580	2.9
731.58105	2.4
784.58020	6.4
804.41425	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	784.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	0.6
64.97108	0.1
68.05004	0.3
69.07034	0.8
70.06562	0.1
71.08595	0.9
86.09683	100.0
91.05437	0.2
92.08656	0.5
93.07047	0.2
98.09663	1.6
99.40469	0.1
103.05426	0.6
105.07009	1.3
110.09638	0.2
112.11214	7.1
113.89975	0.1
120.08071	43.6
129.07013	0.2
132.08095	0.2
146.09612	2.5
154.15875	20.1
155.11786	0.1
157.13330	11.2
166.15897	0.2
167.11662	0.2
182.15417	0.2
185.12808	11.8
188.14291	7.4
188.15909	0.3
191.11812	0.6
197.20161	0.2
199.18005	14.3
200.18227	0.1
209.16493	0.7
219.11272	0.8
225.19545	6.4
227.17496	11.8
233.16426	15.6
235.17917	0.3
237.15875	0.3
243.14906	0.7
253.19034	5.4
255.16827	0.2
259.18005	2.0
261.15897	12.1
267.24258	6.6
277.22852	0.6
280.20203	0.3
287.17410	2.2
295.23709	3.8
298.21191	5.5
301.22641	5.5
311.20935	0.2
322.24954	0.6
329.22165	4.3
332.19574	3.9
332.23282	0.2
340.25989	1.6
356.23419	0.6
366.27554	1.6
374.24246	2.4
383.30045	1.0
391.04947	0.1
400.25952	2.8
408.32184	0.6
411.29620	2.3
417.28458	0.6
442.30484	0.9
445.28134	2.1
453.34540	0.3
459.33224	0.8
479.35889	0.9
487.32596	1.4
496.38745	0.5
513.34277	1.7
524.37982	2.4
530.36603	1.3
555.39160	0.9
558.36383	4.2
559.36615	0.2
572.41302	0.2
592.44275	0.7
600.41180	0.7
626.42572	2.9
634.67615	0.2
637.46289	1.2
643.45325	2.1
653.43463	0.3
671.44781	8.2
681.42926	0.2
699.44128	0.2
739.50751	1.8
756.53674	4.7
766.52094	1.3
784.53119	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	783.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.9
57.03424	4.3
61.02908	5.1
62.36581	0.2
69.03415	12.9
71.04981	2.1
73.02898	2.7
81.03404	3.5
85.02885	77.0
85.90545	0.3
87.04437	1.4
91.03917	2.8
92.64447	0.2
97.02867	33.7
98.98441	100.0
99.04426	4.3
101.02374	2.3
103.03893	1.1
109.02850	7.7
115.03895	2.1
116.99488	5.3
127.03887	43.1
145.04935	36.1
163.05986	11.7
183.00404	0.4
195.00491	1.4
197.40955	0.3
225.01555	5.8
235.90800	0.3
259.08035	0.3
261.03632	35.9
279.04703	19.0
289.09247	2.0
295.46536	0.3
308.05362	0.3
325.11240	6.5
343.12134	1.3
389.80862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.0
61.02905	10.0
67.05506	12.8
69.03409	3.0
69.07049	3.3
73.02889	3.4
79.05456	3.5
81.03409	2.1
81.07053	7.9
84.27670	1.7
85.02877	8.5
89.33376	1.7
91.03925	2.8
93.07018	4.7
95.08583	2.5
97.02882	8.5
109.10098	1.9
119.08547	2.0
127.03930	2.4
137.13632	1.7
137.69057	1.9
184.07402	2.6
188.76065	1.7
298.34204	1.9
388.61160	1.9
395.53525	2.2
505.27664	8.8
519.29388	4.4
783.50073	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	781.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
57.03428	3.3
61.02909	6.7
61.03158	0.6
63.41692	0.6
67.05502	7.8
69.03415	3.6
69.07062	2.6
71.01341	0.6
71.04971	1.1
73.02907	3.5
79.05486	3.3
81.03416	3.3
81.07031	9.3
83.08630	1.1
85.02870	4.9
87.04449	0.7
91.03958	2.8
91.05463	3.2
93.07048	3.5
95.04940	1.2
95.08596	6.0
97.02887	4.9
101.02369	1.4
105.07023	1.1
107.08596	1.1
109.10154	0.7
119.08531	0.8
121.10153	2.8
123.11676	0.7
127.03910	1.1
131.08572	0.6
133.10216	1.2
147.11656	0.8
149.09587	0.8
175.11238	0.9
228.79146	0.7
243.08380	2.8
283.15118	5.4
362.20398	0.7
483.21783	0.8
501.22937	8.0
521.30682	8.1
781.46948	100.0
782.47455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05507	7.9
57.07062	8.2
60.08141	0.7
67.05486	2.9
69.07060	12.3
71.08623	5.0
79.05473	0.8
80.62946	0.6
81.07040	3.6
82.11659	0.6
83.01321	1.1
83.04983	1.2
83.08614	5.5
85.10175	1.3
86.09702	6.2
92.08703	1.1
92.09262	1.2
92.64391	0.5
95.08585	5.6
97.10139	3.8
98.60667	0.5
98.98469	0.8
103.05446	2.6
105.07016	0.9
107.04943	1.4
107.08610	1.2
109.10136	2.3
111.11704	2.3
122.36877	0.6
123.04411	1.2
123.11724	0.7
124.99968	2.9
125.13233	0.6
131.04904	7.5
135.04433	1.3
135.55548	0.5
137.05959	1.3
143.04987	0.7
145.10103	0.5
149.98476	0.5
151.03903	1.0
157.10060	0.6
159.04424	2.6
160.05209	0.9
165.06953	2.4
169.04929	2.3
173.06018	0.7
177.05447	1.4
178.07748	0.8
179.08551	1.4
181.06464	0.6
182.62561	0.6
184.07298	11.0
185.07678	0.8
187.03873	45.3
191.08609	0.7
193.06445	1.1
193.10109	6.6
195.08031	3.1
197.05855	0.7
202.07687	0.9
203.08597	3.9
205.06450	0.6
205.10086	3.4
206.07266	0.7
207.08038	3.6
209.09561	5.1
211.07544	1.2
215.08620	0.9
217.04811	0.7
218.07382	1.3
219.08032	3.3
221.06155	0.9
221.09627	6.1
223.07445	1.3
224.08275	1.1
225.05550	1.0
225.09140	4.3
231.02859	0.7
231.08026	8.2
233.09575	7.2
235.07430	0.8
235.11165	0.7
237.09142	6.0
239.07021	17.9
239.10626	7.6
240.07770	3.0
241.08536	8.0
245.09608	3.7
247.07465	1.1
249.09018	8.6
250.06122	0.7
251.10701	2.3
253.08554	9.9
259.07541	2.9
259.11066	2.5
261.09036	5.7
263.06976	1.2
263.10760	1.0
264.07684	1.3
265.08545	4.3
266.09348	0.9
267.06577	6.6
267.10065	9.5
268.07257	5.4
269.07947	5.2
275.10577	0.9
277.08539	22.2
278.09320	3.5
279.10123	6.4
280.07166	0.7
281.08041	2.7
283.09622	3.2
291.10138	4.8
293.08170	4.8
293.11166	0.8
295.09549	15.4
304.10980	0.7
305.08017	4.7
305.11359	1.2
307.09558	4.3
307.12955	0.8
308.06680	2.9
308.10132	0.6
309.07452	1.2
309.11087	1.2
311.09085	100.0
312.09433	0.8
317.11612	0.7
319.09604	1.2
319.13159	2.1
323.09064	26.5
323.12323	1.0
325.10602	2.6
329.11853	0.8
343.13281	0.9
357.14795	0.9
543.38062	0.9
553.36383	3.9
561.39343	7.5
571.38055	4.7
589.38788	51.4
763.44440	4.5
781.44397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
61.02919	5.9
62.68614	1.4
67.05492	6.7
67.94976	1.3
69.03427	6.8
73.02902	3.0
77.59325	1.2
79.05499	5.9
81.03416	1.9
81.07048	7.6
85.02905	6.6
91.03944	3.0
93.07035	7.2
95.08618	6.9
97.02909	2.5
101.02335	1.6
107.08588	2.0
133.10214	1.3
163.16518	1.7
177.17117	1.3
205.28636	1.6
290.41589	1.4
357.01749	1.5
359.43741	1.5
362.88098	1.5
467.03384	1.5
485.20212	2.8
519.29321	9.1
763.42175	2.6
781.43256	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	781.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.8
60.86168	0.3
67.05473	1.0
69.03402	1.7
69.07038	0.9
74.74287	0.3
79.05460	2.0
81.03389	0.4
81.07034	4.6
83.08594	1.7
85.02891	3.1
91.05424	1.6
91.19889	0.4
93.07011	4.2
95.04932	0.6
95.08575	6.2
97.02821	0.6
105.07018	5.6
106.17838	0.3
107.08561	6.0
109.06499	2.7
109.10132	1.8
118.95820	0.4
119.08539	10.0
121.06478	0.6
121.10107	3.8
123.08017	2.5
123.11637	0.8
125.76106	0.4
127.48771	0.4
131.08530	1.9
133.06477	1.5
133.10095	7.0
135.08023	1.7
135.11652	4.2
143.08473	0.8
145.04962	0.8
145.10112	3.2
147.07970	1.6
147.11665	3.9
149.09584	2.3
149.13235	2.6
152.71898	0.4
155.58810	0.4
157.10095	1.4
159.08038	0.9
159.11673	2.0
161.09593	3.9
161.13188	2.4
163.11163	0.9
163.14818	0.9
169.10098	0.6
173.09633	1.6
173.13251	2.8
175.11177	2.5
175.14774	12.2
181.46669	0.4
185.13254	3.4
187.11125	0.9
187.14748	2.3
189.12689	2.6
189.16328	2.0
193.15808	1.9
196.15903	0.4
201.12724	2.6
203.14267	29.0
205.15848	2.0
213.12744	0.6
219.17546	0.7
227.14206	0.6
227.18004	0.5
239.17899	0.6
241.19485	0.5
252.81270	0.4
255.17288	0.6
255.20998	0.4
257.18967	0.5
259.20828	0.6
267.17184	0.5
268.63773	0.5
269.19037	0.8
295.24002	0.5
297.22256	3.3
297.25101	0.5
315.23074	0.6
323.23584	1.8
327.23264	0.5
341.24567	2.0
393.31381	2.7
411.32446	100.0
412.32922	2.1
457.32983	30.2
489.43378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05494	2.2
57.03424	5.0
57.07059	4.6
61.02912	2.4
64.99300	1.0
67.05489	10.6
69.03416	16.1
69.07047	4.5
70.06564	4.4
73.02901	1.4
73.44126	1.0
77.99932	1.1
79.05495	3.5
81.03399	6.9
81.07034	14.5
83.08621	1.7
85.02886	57.2
87.04456	1.3
88.07620	7.3
91.05463	5.7
92.08927	6.3
92.21638	0.9
93.07029	12.1
95.04943	1.2
95.08579	100.0
95.27237	1.2
97.02869	18.0
99.04452	1.2
102.09179	1.4
105.07011	12.5
106.08661	5.1
107.08578	14.5
109.02850	5.7
109.06458	3.4
109.10147	11.4
117.06990	1.8
119.08557	17.8
121.10114	10.0
123.08070	4.3
123.11674	4.1
127.03902	10.3
129.06973	1.1
131.08517	7.1
133.06458	2.0
133.10095	11.9
135.08047	2.0
135.11685	11.2
137.09612	2.0
137.13213	1.1
143.08574	4.1
145.04962	9.1
145.06026	1.0
145.10124	8.8
147.08044	1.8
147.11650	7.9
149.09512	1.8
149.13225	4.7
157.10136	5.0
159.11667	8.0
161.09604	5.3
161.13246	5.1
163.11188	2.3
163.14839	1.4
169.10054	1.9
171.11609	2.3
173.09596	2.0
173.13234	5.2
175.11122	1.5
175.14760	14.6
177.16199	1.3
185.13257	5.0
187.11108	1.4
187.14806	6.3
189.12761	1.7
189.16394	7.2
199.14873	1.1
200.42873	1.2
201.12865	1.2
201.16376	3.4
203.14273	17.2
205.15843	4.0
211.14702	1.5
213.16347	1.3
219.17366	3.8
225.16197	1.2
228.23332	1.4
229.15863	1.3
239.18045	1.1
241.15800	1.3
246.21680	2.2
246.24220	57.2
247.24649	11.0
253.19362	1.3
255.17307	3.9
257.18948	4.2
262.62308	1.2
271.20523	4.8
297.22055	2.4
315.23117	2.0
317.24170	1.2
341.24771	2.2
354.05020	1.0
365.31912	1.7
373.23483	2.0
375.30051	1.9
393.31403	33.5
411.32465	63.0
421.30963	8.8
446.81049	1.2
457.33014	73.0
458.33334	1.6
573.37451	4.5
613.11694	1.2
735.42963	30.8
781.42065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05499	1.1
57.03432	2.1
59.04987	0.8
61.02917	7.7
67.05495	10.0
69.03407	4.4
69.07059	0.6
71.04981	0.5
73.02900	6.5
79.05459	3.2
81.03375	0.7
81.07040	5.4
85.02879	6.1
91.03939	4.7
91.05466	1.1
93.06979	3.9
94.78345	0.4
95.08569	4.0
97.02877	6.4
99.04446	0.6
99.72961	0.4
101.02374	3.0
103.39632	0.4
105.07012	0.5
105.98654	0.4
107.08587	0.9
109.02889	0.7
109.10151	6.1
114.81427	0.4
115.04021	0.5
119.08617	0.7
121.10130	1.8
127.03907	2.5
135.11705	0.8
145.10213	0.5
147.11702	0.5
173.11696	1.9
185.04248	0.7
195.09935	0.6
206.84502	0.4
229.14430	0.7
243.08371	2.5
243.39287	0.5
335.25778	0.7
413.17728	11.3
519.29279	9.7
590.30920	0.5
595.85956	0.6
621.06866	0.5
633.02661	0.5
691.40173	100.0
692.40924	3.3
756.35132	0.5
780.42584	0.8
781.42084	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	781.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05499	1.1
57.03432	2.1
59.04987	0.8
61.02917	7.7
67.05495	10.0
69.03407	4.4
69.07059	0.6
71.04981	0.5
73.02900	6.5
79.05459	3.2
81.03375	0.7
81.07040	5.4
85.02879	6.1
91.03939	4.7
91.05466	1.1
93.06979	3.9
94.78345	0.4
95.08569	4.0
97.02877	6.4
99.04446	0.6
99.72961	0.4
101.02374	3.0
103.39632	0.4
105.07012	0.5
105.98654	0.4
107.08587	0.9
109.02889	0.7
109.10151	6.1
114.81427	0.4
115.04021	0.5
119.08617	0.7
121.10130	1.8
127.03907	2.5
135.11705	0.8
145.10213	0.5
147.11702	0.5
173.11696	1.9
185.04248	0.7
195.09935	0.6
206.84502	0.4
229.14430	0.7
243.08371	2.5
243.39287	0.5
335.25778	0.7
413.17728	11.3
519.29279	9.7
590.30920	0.5
595.85956	0.6
621.06866	0.5
633.02661	0.5
691.40173	100.0
692.40924	3.3
756.35132	0.5
780.42584	0.8
781.42084	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	781.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.03418	3.4
59.04978	0.5
61.02904	6.6
67.05490	8.8
69.03421	4.0
69.07070	0.7
69.14715	0.4
71.04967	0.5
73.02899	4.4
79.05479	3.9
80.97098	0.4
81.03394	2.5
81.07030	5.0
81.75255	0.5
85.02888	6.3
91.03940	4.4
91.05455	1.0
93.07030	4.3
95.08569	4.2
97.02863	6.8
99.04419	0.7
101.02367	2.5
103.03913	0.4
105.07034	1.2
107.08559	1.9
109.02892	1.2
109.10141	5.4
110.67082	0.4
112.19693	0.4
119.08573	1.0
121.10117	0.8
127.03893	1.1
133.10143	0.6
134.90225	0.5
135.11626	0.7
145.10071	0.6
173.11711	2.1
195.09918	0.8
203.05289	0.7
216.55791	0.5
229.14375	0.7
242.44164	0.5
243.08418	2.4
289.80536	0.5
413.17694	11.0
432.61456	0.5
485.42551	0.6
519.29242	8.9
642.60406	0.6
691.40125	100.0
692.40173	1.9
780.41992	0.6
781.42206	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	781.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72776	1.0
57.03440	1.8
61.02911	7.3
67.05507	10.4
69.03427	1.5
73.02903	5.3
76.11643	1.2
79.05476	1.9
81.07030	2.6
85.02859	5.0
91.03938	2.5
92.08657	2.7
93.07025	2.4
95.08559	3.2
97.02867	5.9
101.02306	1.9
103.03840	1.4
107.08613	2.0
109.10140	8.5
140.58398	1.4
173.11618	1.9
195.64931	1.2
204.38300	1.3
218.65523	1.4
226.86012	1.3
229.14291	1.7
243.08408	2.6
399.64163	1.7
413.17673	16.9
413.96170	1.6
440.17554	1.5
519.29163	6.7
691.40216	100.0
754.27887	1.4
781.43640	19.5
784.59882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81566	1.2
55.05479	1.2
57.03423	1.6
61.02913	5.3
61.92170	0.9
67.05487	11.0
69.03425	2.0
69.07023	0.9
72.02482	0.9
73.02891	5.2
74.15080	1.0
76.42782	1.0
76.56295	1.1
79.05460	2.3
81.07039	5.8
85.02902	4.2
86.09702	11.0
89.35226	1.0
91.03909	2.5
91.05475	1.2
92.08990	5.1
93.06999	1.9
95.08601	3.8
97.02856	6.1
97.10161	1.3
101.02378	1.7
107.08571	1.3
109.10127	8.7
121.10119	1.2
125.00005	6.1
127.03869	1.0
142.22517	0.9
173.11674	2.3
176.91330	1.1
184.07260	19.4
229.14253	1.8
243.08476	1.7
300.75177	1.0
360.50583	1.0
374.21613	1.1
398.24899	1.2
413.17758	13.4
519.28986	5.7
691.40125	100.0
781.42859	11.7
781.55237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
57.03435	3.8
59.10838	0.8
61.02911	8.9
67.05497	7.1
69.03416	6.1
69.07052	1.5
69.27261	0.9
73.02895	6.7
79.05465	6.9
81.03403	2.1
81.07047	5.1
85.02888	10.1
89.76044	0.8
91.03957	4.3
91.05465	2.1
93.07042	6.0
95.08604	4.2
95.33888	0.9
97.02886	7.5
97.06425	1.0
101.02366	1.9
105.07044	2.1
107.08624	1.9
109.10140	1.4
112.53685	0.9
121.10143	1.7
123.55604	1.1
131.08606	1.0
145.10181	1.8
243.08327	1.6
267.11996	1.1
285.13217	1.5
479.57294	1.0
485.20068	2.0
519.29095	7.7
763.42126	5.6
781.43243	100.0
782.42639	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	781.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.9
55.67016	0.8
57.03429	2.1
57.48106	0.7
61.02909	8.2
67.05493	13.1
69.03417	4.8
70.72677	0.8
71.04983	1.2
73.02896	6.5
74.19032	0.9
76.50080	0.8
76.88549	0.8
79.05478	6.0
81.03407	1.6
81.07047	4.5
85.02904	7.8
85.06490	0.8
86.92778	0.8
90.95628	0.9
91.03940	3.9
91.05492	2.1
93.07014	4.7
95.08585	4.1
97.02883	5.8
101.02354	1.4
107.08576	1.3
109.10168	6.7
121.10161	1.0
127.03845	2.0
133.10028	0.9
185.04187	1.0
195.09947	1.6
243.08386	1.6
345.40186	1.0
347.91229	1.1
413.17804	6.2
481.24197	1.1
519.29132	14.7
691.40143	100.0
692.39728	1.3
781.42590	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.3
57.11053	0.1
67.05486	0.2
69.03413	1.8
71.04976	0.1
79.29957	0.1
81.03390	1.9
81.07047	0.3
81.70094	0.1
85.02900	1.5
86.60880	0.1
87.04443	0.3
89.03895	3.8
91.05460	0.3
92.09425	0.3
93.07023	0.3
95.04935	0.2
95.08591	0.7
97.02879	1.0
103.05459	0.2
109.02878	0.5
109.06510	0.2
109.10164	0.3
111.17946	0.1
111.71828	0.1
115.03939	0.3
115.05488	0.1
117.03356	17.3
121.06570	0.1
123.04412	0.2
127.03883	0.3
131.04922	0.2
134.03586	1.1
135.04337	1.1
135.11690	0.2
137.09569	0.8
145.02824	65.2
146.03159	0.3
149.05949	7.1
162.03085	0.2
163.03931	0.3
165.09056	0.3
169.97099	0.2
175.07465	0.2
177.05429	100.0
178.05791	1.1
186.05443	0.8
189.05330	0.2
191.06961	0.3
195.06476	1.0
201.05403	0.2
205.08594	0.2
219.06505	0.4
253.23630	0.1
255.06505	0.2
257.80002	0.2
265.57864	0.2
265.98749	0.2
321.09787	1.3
339.10699	5.4
356.63470	0.2
780.34564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.9
55.39875	0.3
57.03442	3.4
57.07064	0.3
59.04998	0.4
61.02913	7.4
67.05491	6.1
69.03416	3.3
69.03751	0.4
69.07053	0.9
71.04970	1.5
72.02529	0.3
73.02897	5.7
75.38438	0.3
79.05480	4.8
81.03410	3.5
81.07027	5.6
83.08640	0.6
85.02887	5.8
86.09698	0.8
87.04453	0.5
91.03936	3.6
91.05450	3.2
92.08952	0.4
93.07019	5.6
95.04925	1.3
95.08582	4.0
97.02866	5.0
97.06476	0.6
99.04423	0.7
101.02364	2.1
105.07029	2.1
106.97039	0.4
107.04939	0.4
107.08565	3.0
109.02838	0.6
109.10136	1.5
111.39334	0.3
116.99488	0.4
117.06966	0.4
119.08570	2.4
121.10139	2.1
123.11639	0.5
127.03904	2.3
129.06989	0.5
131.08569	1.5
132.69806	0.4
133.10165	0.7
135.11708	0.6
144.73500	0.4
145.10083	0.4
147.11646	0.6
149.09592	0.8
184.07385	2.2
185.04269	0.5
193.12218	0.4
243.08272	3.4
267.15991	0.5
281.07596	0.4
283.15045	6.4
299.48441	0.4
335.25797	0.8
337.27094	0.4
339.17502	0.7
428.40027	0.4
438.22217	0.4
501.23007	8.9
519.29150	8.3
604.25226	0.5
779.45300	100.0
780.45441	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	780.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.1
57.03430	0.4
61.02911	0.1
61.76437	0.0
63.02341	0.1
69.03411	1.5
70.68432	0.0
71.04968	0.1
73.02897	0.1
78.04680	0.1
81.03396	3.7
81.07042	0.1
85.02887	1.4
87.04469	0.1
89.03893	2.5
89.04452	0.1
91.05459	0.2
91.40945	0.1
92.09285	0.1
93.03378	0.1
95.04924	0.1
97.02867	1.0
99.04436	0.3
103.05432	0.1
104.49569	0.0
105.06978	0.1
106.04137	0.2
109.02855	1.7
110.82322	0.1
115.03909	0.2
117.03353	12.3
118.03606	0.1
119.04921	0.1
121.06464	0.1
122.96039	0.1
124.05193	0.1
127.03911	0.4
129.04492	0.1
134.03583	0.7
135.04393	1.0
137.05917	0.1
145.02821	55.3
146.03123	0.4
147.04341	0.1
149.05952	5.9
153.05423	0.1
162.03091	0.2
163.03857	0.7
167.03325	0.2
177.05428	100.0
178.05771	0.8
186.05438	0.5
195.06470	1.9
219.06422	0.1
258.89426	0.1
300.45984	0.1
309.09534	0.2
321.09619	4.1
339.10675	10.1
340.10968	0.1
501.16501	0.1
661.10596	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	25.3
57.03420	19.7
57.07060	4.6
67.05489	91.8
69.07068	26.6
69.92808	2.7
79.05474	66.1
81.07040	100.0
83.08595	7.3
91.05455	43.8
93.07023	77.9
95.04926	5.4
95.08585	73.8
97.10133	3.0
105.07018	33.5
107.08578	47.9
109.10123	33.3
113.32137	3.1
117.07004	11.5
119.08560	27.0
121.10120	31.8
131.08553	27.2
133.10107	18.0
135.11647	17.8
137.13332	2.8
138.94530	2.7
145.10091	12.0
147.11673	18.6
149.13254	7.4
159.11635	7.4
161.13225	5.1
164.26517	3.4
173.13167	5.3
184.07332	6.3
187.14751	3.4
247.20551	6.7
261.21988	7.1
318.09250	3.3
321.24197	46.4
323.25751	4.3
335.25754	51.6
399.31033	3.6
507.84564	3.2
581.45807	24.8
599.46191	19.4
730.76093	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	778.348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81459	0.1
55.05507	0.2
57.03434	0.3
63.02365	0.2
67.05481	0.4
69.03417	1.5
69.07052	0.7
71.04971	0.2
73.02892	0.2
73.79996	0.1
79.05501	0.2
81.03392	4.4
81.07035	0.4
83.04920	0.2
85.02876	2.2
87.04407	0.2
89.03896	2.1
91.05451	0.3
93.07000	0.4
95.08555	0.4
97.02880	1.3
99.04444	0.4
105.07005	0.4
107.08556	0.3
109.02859	1.5
109.10118	0.3
117.03352	13.0
127.03875	0.7
133.09998	0.2
134.03595	0.7
135.04382	1.0
137.05936	0.2
145.02821	57.0
146.03172	0.2
149.05952	5.9
161.01199	0.2
163.03859	0.7
167.06955	0.9
177.05426	100.0
178.05722	0.9
181.04970	0.2
185.09360	0.2
186.05415	0.2
193.04050	0.2
195.06488	1.7
211.89091	0.2
212.78944	0.2
321.09647	5.1
339.10654	9.8
469.17593	0.2
501.15677	0.3
528.45544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20748	1.1
64.24818	0.8
64.33276	0.8
64.43430	0.7
66.33180	0.8
67.05498	1.0
67.38479	0.8
69.03403	2.3
69.07056	1.0
71.05001	1.0
81.07033	3.9
85.02894	4.9
92.09307	1.2
93.07018	1.9
95.08582	4.3
105.07022	1.6
107.08553	1.0
109.10175	1.7
119.08594	1.5
121.10120	0.9
127.03906	0.9
151.07597	1.0
157.88316	1.0
177.40614	1.0
253.19533	1.0
332.26700	1.0
337.21219	1.1
344.19751	1.1
370.55725	1.0
373.23636	1.2
453.33670	1.1
777.34369	100.0
778.34436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.45057	0.7
61.02911	5.8
67.05493	6.3
69.03416	3.9
69.07069	1.1
71.10744	0.8
73.02894	5.6
79.05475	4.0
80.41924	0.9
81.03410	1.9
81.07043	6.4
83.04922	1.1
84.46107	0.9
85.02895	4.0
91.03943	1.5
91.05481	2.2
92.86058	1.1
93.07037	5.5
95.08588	2.4
97.02886	6.7
101.02365	1.8
107.05018	0.9
107.08610	1.7
108.87244	1.0
109.10142	1.8
111.04451	1.3
135.70055	1.0
145.10178	1.3
163.11185	2.4
183.91060	1.2
198.60417	1.0
234.94038	1.2
243.08334	1.4
279.75372	1.2
281.13571	6.7
358.54700	1.1
499.21246	10.2
519.29633	4.3
592.32690	0.9
719.43250	1.3
777.43848	100.0
778.43951	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	777.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05504	1.4
57.03417	2.6
58.69412	0.4
61.02910	6.9
64.33702	0.6
67.05492	5.9
69.03416	5.5
73.02902	4.9
79.05486	5.7
81.03401	1.3
81.07037	6.1
85.02895	6.8
91.03931	1.5
91.05444	1.3
93.07021	5.2
95.08595	4.5
97.02876	6.8
99.04434	0.7
101.02360	1.4
105.07011	1.0
107.08597	3.0
109.02886	0.6
109.10144	3.3
119.08596	1.0
121.10136	2.8
123.08106	0.7
125.05864	0.7
127.03881	0.7
135.11725	1.1
156.49133	0.7
163.11113	0.7
243.08430	2.6
281.13568	7.1
335.36963	0.6
432.14294	0.6
464.40366	0.7
499.21609	3.3
519.29150	7.6
777.43768	100.0
778.29352	0.7
778.44019	3.3
798.13037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.5
55.05503	29.8
57.03425	24.5
57.07066	3.8
62.22654	1.4
63.81277	1.5
65.42867	1.4
67.05146	3.0
67.05490	74.9
69.03421	2.9
69.07046	33.6
71.04951	3.5
76.12674	1.6
77.12074	1.5
79.05472	32.8
79.63332	1.5
81.03395	100.0
81.07034	67.4
83.04947	8.2
83.08607	31.5
85.06523	2.2
91.05450	29.4
92.08862	7.8
93.07015	32.7
95.04929	27.9
95.08585	56.6
97.02859	2.0
97.06489	7.1
97.10152	9.3
99.08054	2.1
105.07011	29.7
107.04939	8.0
107.08559	15.6
109.06503	3.5
109.10126	18.5
111.04422	1.6
111.08044	9.4
117.07011	2.9
119.08558	24.6
121.06512	2.5
121.10122	10.7
123.08064	2.3
123.11658	7.1
125.09634	2.5
129.06970	10.6
131.08543	10.5
133.06433	2.5
133.10078	15.2
134.64870	1.6
135.11626	6.4
137.09554	2.2
137.13277	2.0
142.07739	2.1
145.10077	2.7
147.08040	7.5
147.11662	11.8
149.09569	3.5
157.10083	9.9
159.11581	1.9
166.46191	1.8
175.11104	10.4
175.14796	2.6
193.12218	23.2
225.59888	1.7
258.78738	1.5
263.23608	6.7
267.15854	71.0
275.86310	1.5
337.27261	66.5
338.27658	2.1
370.56589	1.9
455.34912	3.2
529.38818	70.4
547.39838	45.8
776.42542	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	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.9
55.05504	52.2
55.11584	0.7
57.03175	1.3
57.03427	24.8
57.07061	3.7
59.04975	4.2
61.02915	6.5
65.03917	3.7
67.05494	100.0
69.03418	2.0
69.07054	19.8
71.04970	4.3
73.02881	1.7
79.04997	1.2
79.05473	52.0
81.03387	5.9
81.07040	68.2
81.07526	2.3
83.04980	6.6
83.08608	19.9
85.02891	14.6
85.06528	4.4
87.04459	4.4
91.03929	1.0
91.05463	29.3
92.08999	1.3
93.07022	55.0
95.04966	7.1
95.08582	46.6
95.09195	1.5
97.02864	4.5
97.06483	1.9
97.10148	19.8
105.04484	1.1
105.07020	20.3
107.04955	3.6
107.08574	28.4
109.06490	3.7
109.10143	52.0
111.04424	1.5
111.08076	5.0
117.06993	10.4
119.08562	18.0
121.06500	1.1
121.10130	18.3
123.08064	1.4
123.11704	3.7
125.09624	12.5
129.06999	2.0
130.07774	1.1
131.08524	11.7
133.10104	11.2
135.11662	11.6
137.09587	1.7
143.08507	1.8
143.10667	1.1
145.10095	9.4
147.11667	5.7
149.09581	1.1
149.13206	3.3
155.10738	1.0
157.10149	1.3
159.11632	3.8
161.13211	4.1
163.11165	1.7
163.14777	1.7
173.11702	8.6
173.13199	4.1
181.12151	1.1
199.13290	6.0
201.16287	0.9
209.11661	1.6
217.14201	1.3
227.12737	3.8
229.14278	25.0
243.21037	1.9
245.13792	1.1
261.22043	8.6
267.15918	1.6
280.53680	1.2
283.15356	1.4
301.16367	10.1
335.25723	45.1
477.35541	8.1
489.35645	12.6
517.21796	1.2
520.11200	1.1
543.36365	3.9
560.37415	1.2
561.37915	9.2
579.38348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.3
55.05506	44.9
57.03183	1.0
57.03434	20.5
57.07080	1.5
59.04991	1.6
61.02906	4.7
65.03916	1.7
67.05497	100.0
67.07516	0.9
69.03406	2.2
69.06710	1.2
69.07056	18.9
71.01317	1.1
71.04977	3.6
73.02894	0.9
79.05477	54.1
81.03400	5.5
81.07042	59.8
83.04970	7.1
83.08617	14.3
85.02898	12.1
85.06535	1.6
87.04456	5.6
88.11078	0.9
91.05463	27.5
91.08408	0.8
93.07027	50.5
95.04942	8.4
95.08585	38.1
96.08840	0.9
97.02860	5.7
97.06525	4.3
97.10159	14.1
99.04420	1.3
99.08097	1.3
105.07018	14.6
107.04922	1.3
107.08585	24.5
109.06482	1.7
109.10146	47.3
111.08067	1.4
117.06998	7.6
119.02250	0.9
119.08551	13.9
121.10132	20.5
123.08035	1.1
123.11728	1.7
125.09592	10.0
131.08565	11.3
133.10086	7.2
135.11661	9.9
137.09589	1.3
139.11264	1.2
145.10110	8.5
147.11647	5.3
149.09541	1.6
149.13193	4.2
151.11107	1.1
151.74768	0.9
155.10674	1.3
159.11655	2.1
161.13219	1.8
163.11111	4.0
163.14830	1.3
171.11670	2.1
173.11668	6.7
173.13171	3.8
181.12344	1.1
187.14755	1.2
191.10663	1.4
199.13351	1.7
209.11658	2.2
213.53848	1.1
226.10088	1.0
227.12700	3.8
229.14334	23.9
243.21086	1.1
257.75232	1.0
259.20432	1.2
261.22073	8.5
283.15344	1.4
286.31085	1.8
300.15207	1.2
301.16431	12.5
315.23154	1.2
335.25748	53.4
389.31680	1.2
441.83896	1.1
477.35986	6.6
489.35831	13.2
543.36737	6.8
561.37427	9.2
579.38446	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.8
56.99564	1.8
61.02916	7.9
67.05504	4.0
67.32618	1.8
69.03402	3.6
71.08624	2.3
73.02901	2.9
79.89569	2.0
81.07025	3.7
84.95413	2.3
85.02905	4.0
91.03945	3.7
92.08696	3.3
93.07015	2.0
95.08591	4.0
97.02898	4.7
107.08647	2.3
117.70358	1.9
179.89455	2.1
210.04022	2.2
296.03244	2.1
497.30692	3.3
519.29211	4.6
533.97961	2.2
775.53101	100.0
776.53973	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	775.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81751	1.0
57.03436	1.6
61.02922	1.3
63.62424	0.9
65.51064	0.9
67.05501	4.6
69.03417	6.1
69.07063	4.2
69.36791	0.8
70.84920	1.0
76.56299	1.1
78.90926	0.9
79.05486	1.6
81.07057	5.2
83.08579	1.4
85.02904	13.1
85.06547	1.5
86.03298	0.9
87.04432	1.4
91.05492	1.0
93.07043	5.0
94.07403	1.0
95.04957	1.9
95.08609	5.2
97.02887	5.2
97.06536	1.5
97.68834	0.9
99.72891	1.2
101.71184	1.1
105.07029	2.4
107.08588	3.6
109.10126	1.5
113.05996	4.1
117.07018	1.2
119.08622	1.8
121.10160	1.2
127.03896	1.5
131.08560	1.6
133.10184	1.9
135.24207	1.0
137.06026	1.8
144.10262	1.1
145.02837	1.8
145.04996	1.8
145.10152	1.6
147.11710	2.0
151.07579	1.5
159.11667	1.1
163.04042	1.3
165.09048	1.7
167.06953	1.7
173.13237	1.8
177.05553	1.6
242.89951	1.3
254.16692	1.2
259.58286	0.9
270.09698	1.0
283.26465	1.1
329.11972	1.6
347.13187	1.6
715.33038	1.6
763.37048	1.3
775.35010	100.0
776.35156	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	775.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82190	1.6
54.82772	1.3
56.82768	1.4
56.96555	35.4
67.05485	2.2
79.05499	1.8
81.07034	2.4
84.77197	1.4
84.96015	7.1
98.97554	100.0
110.97515	18.0
112.99100	16.7
116.98589	71.5
121.10104	1.8
122.50634	1.6
124.99087	3.5
128.98569	32.6
131.00140	54.4
134.99626	27.6
140.98595	6.5
143.00139	21.1
144.97961	2.4
146.99602	32.9
149.01190	82.2
152.98434	1.9
155.00137	2.0
158.99611	48.5
161.01161	27.8
165.00642	7.8
167.02264	27.4
170.99606	46.5
173.01169	19.7
177.00671	75.4
179.02231	3.2
182.99573	3.7
185.01157	7.5
189.00648	68.9
191.02219	24.0
194.99863	2.4
195.01735	10.2
199.02736	9.5
201.00662	18.0
203.02220	16.2
207.01688	13.2
209.01131	2.2
209.03217	2.5
212.02188	2.1
213.00674	6.4
215.02167	1.9
215.28644	1.8
217.03806	12.6
219.01723	39.6
227.02261	3.5
231.01752	7.0
233.03282	3.4
237.02786	20.5
255.03888	2.8
261.02759	31.3
275.04306	15.0
279.03781	38.1
291.03729	6.6
293.05408	51.2
297.04895	13.3
302.04941	2.3
302.30429	3.9
303.30801	2.5
309.04791	7.4
311.06439	23.1
317.17758	37.5
321.04861	71.7
321.08621	3.0
335.18759	17.6
339.05826	10.1
381.07031	3.6
437.09531	16.6
453.09299	1.9
455.10574	40.8
539.25452	3.4
553.26434	10.1
571.28601	2.0
715.32031	79.2
716.31268	1.9
775.38177	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	775.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.4
56.09336	1.3
56.96550	37.6
57.79851	1.5
60.35517	1.8
67.05496	2.2
69.45406	1.4
70.11405	1.5
79.05493	1.5
81.07043	3.3
84.96018	8.6
87.08807	1.7
89.83469	1.6
93.07010	3.4
95.08582	2.0
98.97556	100.0
100.56770	1.7
105.06983	2.4
107.08549	1.8
110.97559	20.0
112.99100	19.3
116.98590	67.9
124.99110	2.0
128.98572	37.0
128.99460	2.1
131.00145	51.3
134.99634	29.7
140.98538	3.1
143.00145	16.0
144.97963	1.9
145.01672	1.7
146.99625	34.5
149.01187	73.2
152.98640	3.2
153.00653	2.0
158.99608	41.2
161.01170	23.7
162.99144	3.2
165.00673	3.5
167.02208	24.9
170.99602	43.0
173.01196	11.5
177.00670	72.6
179.02310	2.3
185.01160	10.7
189.00664	69.5
191.02200	15.8
194.99876	2.1
195.01782	8.5
199.02753	9.6
201.00664	15.7
203.02206	15.6
207.01828	11.4
209.01274	1.8
209.03282	2.0
213.00681	6.3
215.02252	6.5
217.03770	8.1
219.01709	35.9
221.03185	1.5
227.02156	3.0
231.01682	2.0
233.03282	6.8
237.02779	23.1
261.02682	26.8
275.04337	8.1
279.03836	33.7
291.03781	2.6
293.05344	45.6
297.04926	12.7
309.04840	5.7
311.06427	21.0
316.28613	1.6
317.17776	39.0
321.04819	74.5
335.18835	15.5
339.05829	9.9
381.06909	5.8
437.09515	21.9
455.10611	39.3
539.24780	6.1
553.26532	10.2
715.31934	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	774.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	12.7
55.61207	2.7
55.76053	2.6
57.03434	2.9
57.07068	46.1
61.02901	3.4
66.52235	2.8
67.05492	35.9
69.07037	12.4
70.20664	2.7
71.08613	37.5
73.06528	4.2
79.05469	27.4
81.07056	26.2
85.10152	20.6
87.04433	14.7
89.06009	100.0
91.05450	23.5
92.05801	2.8
93.07024	21.5
95.08580	21.1
97.10077	3.6
105.07001	22.0
107.07011	4.3
107.08564	15.0
109.10107	4.7
117.06969	12.2
119.08569	15.2
120.08916	3.9
120.62118	2.8
121.10150	3.7
131.08545	5.4
132.32019	2.9
133.08527	25.3
133.10126	14.6
135.11647	6.0
145.10057	5.8
147.11646	7.2
159.11546	4.4
161.13239	4.1
175.14233	2.8
177.11255	11.6
189.12534	2.8
258.97858	3.9
259.20496	5.1
260.20923	4.0
299.29422	5.4
612.46796	6.7
774.58746	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	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05502	27.3
57.03168	1.8
57.03425	24.6
57.07061	1.6
61.02899	1.7
65.03915	1.1
67.05489	73.5
67.70052	0.9
69.03418	1.9
69.07053	17.0
71.04973	4.6
79.05469	54.8
81.03395	100.0
81.07034	68.1
81.07526	1.0
83.04948	7.1
83.08600	23.7
85.06525	2.4
91.05457	38.8
91.06001	1.9
92.08705	3.1
93.07015	57.0
95.04947	36.7
95.08576	47.9
97.02892	1.6
97.06522	5.5
97.10174	7.5
105.07004	31.9
107.04927	8.8
107.08568	33.0
109.06507	5.0
109.10142	19.6
111.08040	7.6
115.05429	1.4
117.06983	7.9
119.04895	1.2
119.08559	30.2
121.06466	4.3
121.10114	25.7
123.08054	5.9
123.11674	5.7
125.09605	3.9
129.06961	11.0
131.08542	23.7
133.06458	4.9
133.10086	16.1
135.11653	13.5
137.09579	2.0
137.13176	1.3
142.07722	2.4
143.08566	2.3
145.10098	10.9
147.08032	3.9
147.11656	15.4
149.09589	5.3
149.13229	7.1
154.80573	1.2
157.10063	10.8
159.11642	8.7
161.13255	2.4
163.11165	1.3
163.14803	2.3
165.12717	1.6
171.11588	1.6
173.13245	5.8
175.11104	10.6
175.14856	1.5
187.14865	1.3
189.11293	1.7
189.12759	1.3
193.12206	20.7
227.12758	2.2
243.21036	5.4
247.16878	1.1
261.22052	13.3
267.15842	66.4
301.25125	3.7
317.24860	1.8
335.25732	60.1
421.25555	1.9
435.27338	1.8
435.32498	3.8
453.33286	4.4
471.34735	1.9
502.05612	1.0
527.37122	55.2
545.38165	47.3
559.39612	1.2
564.03925	1.2
569.38055	2.3
667.94312	1.2
671.40741	1.6
730.55054	1.2
801.69037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.3
55.05503	17.1
56.94443	1.6
57.03429	22.3
61.02905	3.9
65.03915	1.9
67.05490	77.5
67.13308	1.3
69.03415	6.7
69.07055	19.8
70.80820	1.7
71.04978	4.1
73.02882	2.1
75.43208	1.4
78.82416	1.7
79.05475	43.4
81.03388	3.1
81.07039	69.0
82.07385	1.7
83.04961	8.4
83.08596	9.8
85.02869	3.0
85.06508	6.6
87.33348	1.6
91.03915	2.4
91.05458	59.9
93.07024	56.2
94.46107	2.2
95.04945	8.2
95.08594	43.8
97.06516	4.1
97.10157	1.7
105.06369	2.1
105.07018	39.2
107.08587	52.5
109.06443	2.4
109.10146	54.7
113.05980	2.6
117.07009	8.8
119.08580	16.9
121.10136	19.0
123.11701	10.1
126.58903	1.6
128.06194	2.2
131.08519	10.9
133.10106	100.0
135.08035	2.6
135.11681	10.4
143.08539	6.3
145.10110	7.9
147.11653	7.4
149.13300	5.8
151.11154	43.0
161.09590	19.1
161.13220	1.9
163.14676	2.0
169.12201	4.1
173.13200	3.2
179.10625	11.2
210.42509	1.9
215.12755	19.0
245.28094	1.6
253.14259	17.7
261.22076	12.4
271.15369	3.7
299.14914	7.5
317.15872	55.1
335.25742	98.4
531.36371	6.4
559.36816	2.6
577.37256	50.2
595.39441	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.5
55.05504	53.6
57.03430	34.6
57.07070	3.3
60.08630	2.2
61.02913	4.7
63.45378	1.9
67.05492	92.0
69.07054	18.8
69.40636	2.2
71.01346	24.9
73.02892	4.6
79.05470	71.6
81.03390	3.1
81.07037	84.2
83.04953	10.0
83.08603	15.5
85.02888	5.9
85.06524	3.0
86.12555	2.3
91.03894	3.1
91.05453	38.1
93.07020	68.3
95.04948	12.5
95.08581	52.4
97.02870	2.4
97.06498	4.2
97.10117	11.4
104.61666	2.3
105.07001	34.6
107.08591	31.3
109.06489	4.2
109.10128	28.0
117.06985	9.7
119.08582	24.7
121.10144	22.0
123.04443	2.7
123.07991	2.6
123.11669	4.1
125.09550	5.8
131.08542	11.4
133.10091	14.5
135.08084	4.9
135.11653	17.1
145.10059	5.3
147.11720	3.1
149.13234	5.4
159.11655	4.1
161.13239	2.9
163.14717	2.5
173.13312	3.6
187.14737	2.9
217.00150	2.7
225.11227	13.5
227.12709	3.8
243.20929	5.6
261.22043	21.3
299.14841	100.0
317.24701	3.1
335.21899	4.2
335.25751	85.9
359.03622	2.7
379.30194	2.9
449.30298	3.0
467.31363	2.7
541.35034	5.7
559.36090	53.2
577.37488	5.0
579.95825	2.6
768.34839	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81800	2.8
55.01859	18.7
55.05500	51.7
57.03421	29.8
61.02901	4.1
65.03899	3.4
67.05491	74.9
69.03406	14.9
69.07055	50.1
71.04984	4.7
73.02894	2.9
79.05476	82.9
81.03392	70.7
81.06593	5.1
81.07037	100.0
83.04962	31.2
83.08595	41.3
85.02885	44.8
85.06550	4.7
91.05452	76.5
93.06424	3.2
93.07013	73.4
95.04959	39.1
95.08586	33.4
97.02856	6.0
97.06483	17.7
97.10133	17.9
103.05454	3.5
105.07011	77.2
107.04950	23.1
107.08572	39.8
109.06482	13.6
109.10119	15.5
111.04409	4.0
111.08050	18.1
114.37547	2.8
117.06989	22.2
119.08564	46.1
121.06461	6.1
121.10100	24.2
123.08044	3.2
123.11632	6.1
125.09598	15.3
129.06989	18.0
131.08517	35.0
132.75296	2.6
133.06482	3.4
133.10072	35.5
135.11655	10.9
145.10107	20.5
147.07898	3.1
147.11642	24.2
149.09599	23.2
149.13263	5.2
157.10110	25.2
159.11649	13.1
161.13295	3.7
163.11188	5.5
165.09033	3.4
173.13222	3.4
175.11157	20.0
189.11153	3.9
193.12181	46.5
211.13239	46.9
227.12737	12.8
239.17778	2.9
257.18744	3.2
267.15863	22.6
269.17444	11.1
275.19992	30.4
285.16879	44.1
332.09473	3.3
349.23669	25.7
461.28607	12.7
465.28268	4.1
479.30185	26.2
541.34937	13.8
559.29712	2.6
559.36316	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05497	4.0
56.96582	0.5
57.03428	5.5
59.04987	0.7
61.02916	9.7
65.03916	0.7
67.05495	10.7
69.03068	1.0
69.03417	19.1
69.07048	4.8
71.04974	3.0
73.02896	4.6
78.81213	0.7
79.05477	7.3
81.03397	8.1
81.06593	1.3
81.07041	27.1
83.04944	2.4
83.08616	5.1
85.02890	100.0
85.06524	10.0
87.04447	3.3
91.03927	4.5
91.05444	7.3
93.07018	13.0
95.04951	4.9
95.08583	14.5
97.02872	27.3
97.06506	1.6
97.10160	0.8
99.04445	5.4
99.08079	7.1
100.11205	1.5
101.70629	0.7
105.07009	13.5
107.04925	0.9
107.08573	11.9
109.02867	8.8
109.06464	0.7
109.10143	9.9
111.04452	1.0
113.06005	8.9
113.09631	0.7
119.08551	9.1
121.06504	1.3
121.10118	8.5
123.08035	3.1
123.11693	2.6
125.09592	1.3
127.03899	20.7
129.07002	0.9
131.08539	7.0
133.10109	11.2
135.11664	8.6
137.05925	1.4
137.09612	1.6
141.09070	4.1
142.07761	1.0
143.08551	3.2
145.02870	1.3
145.04944	26.2
145.10115	12.8
147.11655	17.5
149.13229	8.2
155.08542	0.9
157.10126	6.0
159.11673	18.2
161.13237	13.7
163.05998	7.7
163.11185	0.9
163.14732	0.9
167.07005	4.2
169.10100	1.2
171.11681	2.8
173.13232	7.9
175.11154	0.9
175.14775	7.6
177.05415	2.6
177.12711	2.4
178.05756	0.7
181.04863	1.6
182.15324	0.7
183.11670	1.2
185.13245	3.6
187.14803	3.0
189.12660	1.0
197.13284	3.0
199.13145	0.7
199.14799	5.5
201.16347	2.7
210.14813	0.8
211.14761	2.9
213.16428	1.3
215.17953	0.9
225.16345	3.1
227.17833	1.0
232.46873	0.7
237.16432	0.8
239.17859	1.5
241.19473	1.0
249.16141	0.7
253.19508	5.7
255.20979	16.9
257.22607	9.4
271.20523	2.6
281.22565	9.5
283.20493	1.5
283.23849	0.9
299.23593	16.2
317.24692	3.3
325.11270	4.6
351.30307	0.8
361.28906	2.6
379.29874	16.7
390.68219	0.8
397.30988	9.8
415.31943	1.6
535.65967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	40.1
57.03439	12.3
57.07066	8.1
61.02921	7.4
64.31824	4.9
67.05489	94.1
67.55022	5.6
69.03407	5.8
69.07051	35.2
74.09986	5.2
74.41318	4.9
79.05467	98.5
81.07041	100.0
83.08607	9.4
83.43594	5.6
90.67339	4.7
91.05450	78.5
93.07031	94.0
95.04975	8.2
95.08590	71.6
97.35402	5.1
105.07001	74.7
107.08574	50.1
107.63618	5.8
109.10126	31.6
117.07008	45.0
119.08557	64.7
121.10141	32.0
129.06976	12.9
131.08542	37.1
133.10141	35.6
135.11688	14.1
143.08536	13.1
145.10114	29.2
147.11697	30.8
157.10143	6.8
159.11693	25.3
161.13239	11.6
171.11714	9.6
173.13271	12.1
178.44608	5.4
185.13257	11.4
195.11786	5.9
241.19476	13.9
259.20480	28.3
333.24164	14.1
335.25793	37.2
611.46783	53.3
773.44519	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	773.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05498	38.2
55.57063	1.0
57.03421	14.7
57.07065	2.9
61.02901	10.2
63.08572	1.0
65.03921	2.9
66.61048	1.2
67.05486	92.8
69.03402	6.6
69.07049	29.3
71.04977	4.7
73.02889	2.1
77.03945	1.3
79.05469	89.4
79.06712	1.4
81.03378	3.2
81.07033	89.4
83.04967	2.2
83.08588	10.6
85.02885	8.1
85.06544	2.1
91.03922	2.0
91.05454	80.9
93.07014	100.0
95.04936	14.2
95.08578	68.9
95.09197	2.1
97.02850	3.1
97.06510	5.6
97.10144	1.8
99.08044	1.9
105.04534	2.0
105.07008	79.5
107.04918	2.0
107.08569	55.7
109.06494	5.6
109.10131	24.6
117.06977	25.3
119.08552	68.6
121.10105	32.3
123.11662	5.3
128.06206	5.1
129.06961	18.6
131.08533	40.2
133.10097	44.5
135.08049	1.5
135.11642	23.0
141.06978	6.1
142.07809	2.6
143.08527	22.1
144.09317	1.5
145.06479	1.3
145.10094	37.3
147.07874	1.3
147.11665	32.5
149.09596	1.6
149.13222	12.2
155.08546	8.2
157.10109	15.5
159.11652	25.0
161.09538	1.6
161.13188	20.2
163.14771	2.7
167.08527	2.9
169.10069	8.8
171.11665	19.1
173.13223	17.0
175.11143	1.5
175.14705	9.6
181.10063	1.7
183.11650	9.7
185.13217	14.7
187.14832	5.1
189.16510	1.6
195.11603	2.3
197.13205	2.3
199.11134	1.5
199.14809	7.0
199.37334	1.2
201.16321	1.4
209.13211	2.3
211.14827	2.3
213.16431	4.7
215.18054	1.8
217.19427	1.7
221.09642	1.3
222.57913	1.3
223.14725	1.4
231.21042	1.9
237.16481	1.6
239.17943	2.1
241.19481	15.0
257.18945	1.9
259.20477	42.6
261.22079	7.4
267.20987	1.7
273.21753	1.5
301.21497	1.9
315.23108	2.6
333.24207	28.5
335.25717	50.3
367.22739	2.1
405.96356	1.4
519.41724	3.1
593.45483	9.5
611.46503	64.5
701.47076	4.9
719.47980	2.2
737.48676	1.9
773.51599	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	773.2132
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01855	0.6
55.05503	0.2
57.03170	0.2
57.03425	3.6
59.04993	0.2
61.02913	2.2
68.99773	0.2
69.03411	6.4
71.01321	0.3
71.04974	9.6
73.02883	1.3
74.04897	0.1
75.04440	0.3
81.03391	2.3
83.01349	0.1
83.04955	0.8
85.02886	25.0
87.04443	1.1
91.03915	0.5
91.05457	6.0
95.04921	0.2
97.02866	4.4
99.04430	1.0
101.02365	0.2
103.03886	0.5
106.07244	0.1
107.04899	0.1
109.02849	1.7
111.00782	0.7
111.04413	0.8
115.03909	0.2
121.02846	1.1
123.04369	0.2
127.03884	2.9
129.05452	1.5
129.12712	0.1
135.04338	0.1
137.02319	2.5
137.05951	0.5
142.64769	0.1
145.04942	1.5
147.06499	0.6
149.02338	0.5
153.01804	3.5
161.05978	0.2
163.03894	0.6
165.01814	1.8
166.02611	0.2
183.02855	0.9
183.04292	0.2
191.03314	0.2
193.08583	1.4
195.02992	0.2
201.05457	1.3
211.09625	0.6
219.97458	0.2
229.04897	3.7
245.04509	0.2
247.06027	1.1
257.04361	3.1
274.04742	1.0
275.05283	0.5
285.03854	1.7
286.04550	0.2
301.03491	0.2
302.04221	1.4
303.04919	100.0
304.05267	1.2
327.04813	0.2
345.05786	1.9
387.12527	0.3
409.10867	0.8
447.09174	0.2
449.10361	0.2
465.10172	23.5
466.10474	0.8
742.53656	0.2
773.26978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2131
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01867	0.2
55.05497	0.1
57.03426	1.9
61.02907	0.3
63.92751	0.1
68.99767	0.2
69.03416	1.1
71.01322	0.2
71.04974	8.7
73.02893	0.3
75.04443	0.6
81.03392	0.5
83.04993	0.4
85.02887	12.2
87.04464	0.5
93.03389	0.2
97.02860	1.3
99.04449	0.1
100.41024	0.1
109.02860	0.5
110.45010	0.1
111.00789	1.1
111.04411	0.3
121.02843	0.8
127.03844	0.8
129.05447	1.4
130.87285	0.1
131.04910	0.2
137.02316	2.8
145.04897	0.3
147.06508	0.5
149.02333	0.5
153.01782	2.3
161.05962	0.2
163.03862	0.6
165.01794	1.9
166.02557	0.2
173.05931	0.2
177.05449	0.1
183.02841	0.8
187.03934	0.1
195.02794	0.2
200.72556	0.1
201.05423	1.1
219.02888	0.2
219.06468	0.2
229.04898	3.6
247.05893	0.9
257.04340	2.6
274.04733	0.8
285.03894	1.2
303.04926	100.0
304.05203	1.9
323.45914	0.1
345.05701	0.2
351.34689	0.1
416.53876	0.1
465.10187	21.0
466.10440	0.5
487.17838	0.1
627.15265	0.3
699.62750	0.1
710.16595	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2131
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01858	0.6
55.05514	0.2
55.88308	0.1
57.03424	3.4
61.02909	2.2
62.75216	0.1
64.04884	0.2
68.99760	0.2
69.03410	5.9
71.01335	0.3
71.04973	9.6
73.02894	1.5
75.04460	0.5
81.03398	2.5
83.04939	0.7
85.02885	24.7
87.04444	1.7
89.03928	0.2
91.03907	0.6
91.05456	5.6
92.08966	0.7
95.04924	0.3
97.02865	4.7
99.04405	1.3
101.02332	0.3
103.03894	0.6
105.17258	0.2
109.02872	2.0
109.10081	0.2
110.16769	0.1
111.00767	1.0
111.04433	0.3
113.69599	0.2
115.03880	0.2
121.02830	1.0
123.04362	0.3
127.03879	2.8
129.05475	1.6
131.04886	0.2
136.73972	0.1
137.02306	2.4
137.05951	0.3
140.30785	0.1
145.04955	1.3
147.06528	0.2
147.11440	0.1
149.02321	0.5
151.03889	0.2
153.00684	0.3
153.01791	3.2
158.99840	0.1
161.05966	0.3
163.03836	0.6
165.01801	2.0
167.07059	0.2
177.05345	0.3
183.02834	0.8
193.08589	0.9
201.05353	1.2
211.09621	0.7
219.06458	0.2
229.04906	4.0
246.05106	0.2
247.06023	0.8
257.04401	3.1
274.04633	0.9
275.05469	0.3
285.03885	1.8
302.04126	1.3
303.04913	100.0
304.05304	1.3
327.04868	0.8
345.05902	2.0
369.11804	0.2
413.08118	0.2
465.10159	24.5
466.10913	0.3
686.44257	0.2
734.43353	0.2
773.28137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.6
55.05505	37.7
57.03431	25.9
59.04987	3.4
61.02923	3.8
65.03903	3.8
66.71418	2.0
67.05490	91.3
69.03381	1.7
69.07049	30.5
71.01333	3.4
71.04988	7.4
71.70405	1.8
75.16948	1.9
75.42271	2.3
79.05473	86.8
81.03403	35.5
81.07034	83.1
83.01334	2.2
83.04957	19.0
83.08603	16.0
85.02884	14.1
85.06545	3.1
87.06395	2.0
87.09705	2.0
91.05450	44.2
93.07019	89.4
95.04942	18.6
95.08580	62.7
97.02878	18.1
97.06500	13.1
97.10140	3.7
105.07017	32.7
107.04918	21.0
107.08583	47.7
109.06487	11.4
109.10131	18.0
111.04422	30.2
111.08049	3.5
117.06975	18.8
119.08545	26.8
121.06483	11.0
121.10109	37.3
123.08070	4.5
123.11683	4.1
123.50052	2.3
125.05943	9.2
129.06990	3.4
131.08542	18.9
133.10123	10.2
135.07994	2.9
135.11659	29.1
145.10139	31.3
147.08034	4.7
147.11703	3.1
149.13245	3.0
149.83160	2.0
153.12706	9.0
155.08499	3.2
159.11603	4.0
163.11150	34.2
173.09596	10.2
173.13210	2.6
181.12192	4.1
191.10629	9.7
209.11749	5.1
223.13211	24.1
223.14977	1.9
227.12639	7.8
239.08475	2.3
241.14317	25.1
250.81416	2.4
261.22128	5.2
265.14331	3.0
283.15344	15.1
303.48898	2.4
315.17905	43.2
335.25726	84.9
487.69910	2.4
525.35474	13.5
543.36719	63.2
575.39337	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	772.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	4.3
55.05499	41.4
57.03425	22.8
58.37265	2.7
61.02913	8.5
62.95855	2.8
65.03915	3.5
67.05486	78.3
69.07048	32.2
71.01349	4.9
71.04983	16.3
74.60452	3.0
77.03916	3.9
79.05471	87.9
81.03398	37.0
81.07031	100.0
83.04946	28.7
83.08595	14.2
85.02893	7.8
85.06509	6.4
91.05460	61.7
92.08865	27.3
93.07014	99.0
95.04939	14.4
95.08584	64.1
97.02856	14.9
97.06499	24.3
97.10151	6.1
105.07024	38.9
107.04920	29.0
107.08558	34.2
109.06515	14.7
109.10139	29.9
111.04420	48.6
111.08044	5.9
117.06982	20.6
119.08575	30.7
119.09283	3.3
121.06476	7.6
121.10103	37.5
123.08048	4.3
125.05954	8.1
129.06998	6.9
131.08551	26.0
133.10118	15.5
135.08032	4.1
135.11613	32.2
145.10081	40.8
147.08044	7.1
147.11592	4.3
149.09602	4.4
149.13249	4.4
153.12726	20.8
155.08540	4.9
157.10043	3.5
161.13269	4.2
163.11148	60.3
169.10207	5.0
173.09596	12.6
173.13216	6.0
181.12123	4.0
191.10591	6.6
195.13724	4.2
209.11674	15.1
223.13245	26.7
227.12746	4.7
241.14278	40.4
283.15454	25.6
315.17996	62.5
335.21909	6.4
335.25729	68.8
469.32883	4.8
513.07990	4.4
525.35382	19.8
543.36676	89.7
575.39203	58.0
653.90753	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	26.5
55.05498	56.7
57.03429	34.5
61.02908	7.2
64.98783	3.7
67.05495	85.3
69.03407	18.9
69.07053	69.1
69.67093	3.7
71.04987	5.1
71.09001	3.9
76.41737	4.2
79.05476	83.1
81.03390	52.0
81.07040	100.0
83.01307	5.7
83.04961	26.6
83.08601	40.5
83.09023	4.4
84.93051	3.6
85.02880	33.2
91.05452	99.2
93.07018	68.8
95.04941	25.3
95.08585	40.5
97.02887	18.3
97.06496	18.6
97.10130	28.4
105.07005	54.2
107.04937	25.9
107.08577	48.7
109.06504	24.6
109.10119	7.5
111.08034	6.1
115.05459	5.5
117.07012	26.7
118.41902	4.2
119.08549	41.6
121.06500	7.5
121.10117	31.1
123.08038	5.6
125.09606	24.7
129.06976	16.8
131.08551	30.2
133.06473	7.1
133.10089	25.3
133.59550	4.5
135.08052	4.3
135.11670	9.1
145.10060	36.0
147.08064	8.2
147.11612	9.3
149.09573	17.1
157.10106	6.1
159.11688	9.7
161.13185	4.1
163.11130	38.6
167.36411	4.6
171.10146	5.0
171.11569	5.3
173.11768	5.0
173.13141	7.5
175.11110	17.4
189.11150	7.8
193.12202	20.8
197.13046	4.6
211.13284	16.1
223.13231	7.3
227.12772	27.3
267.15750	7.8
273.18372	8.6
275.19943	23.4
283.15268	45.9
285.16919	23.9
291.19510	59.0
322.66483	5.2
349.23624	22.3
365.23239	29.0
416.46323	4.6
437.25211	5.7
463.27011	6.2
477.28229	29.4
557.34570	60.9
571.11902	5.0
575.35895	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05508	1.4
57.03431	3.9
58.00084	0.2
59.04988	0.3
61.02915	6.2
65.03918	0.5
67.05482	1.8
69.03419	12.4
69.07050	0.5
71.04967	2.2
71.08607	3.4
71.17098	0.2
73.02905	2.2
79.05473	7.8
81.03401	5.9
81.07040	98.5
81.69162	0.2
82.12080	0.2
83.01322	0.5
83.04980	0.3
85.02890	63.6
86.88132	0.3
87.04459	1.5
91.03941	2.5
91.05426	1.7
93.07017	2.7
95.04967	0.3
95.08588	4.1
97.02872	20.6
97.06551	0.3
99.04430	2.6
99.08073	100.0
100.08408	0.4
101.02345	0.3
103.03951	0.3
105.07010	2.7
107.08597	3.1
109.02872	5.8
109.06548	0.4
109.10146	1.7
111.08040	0.4
115.03916	0.5
115.69384	0.2
117.06972	0.5
119.08574	1.8
119.96763	0.3
121.10101	2.7
123.08053	1.2
123.11650	0.3
123.74700	0.2
127.02956	0.5
127.03895	13.2
129.07056	0.3
131.08549	1.8
133.10107	4.5
135.11652	1.3
142.07713	0.4
143.08557	1.2
145.04950	13.7
145.10121	4.1
147.11671	3.4
149.13264	0.6
157.10112	5.2
159.11676	4.5
161.13226	1.2
163.05989	4.2
165.09013	0.3
169.10068	0.4
171.11656	1.9
173.13220	1.4
175.11211	1.2
183.11707	0.5
185.13242	1.3
187.14954	0.7
197.13185	1.8
199.14816	0.5
209.13487	0.3
211.14799	1.1
213.16246	0.4
225.11148	0.6
225.16441	0.4
227.17908	1.0
238.17360	0.3
243.12204	0.4
253.19466	6.3
255.20987	1.8
258.84637	0.2
259.11603	0.2
271.20471	6.7
293.22440	0.3
325.11255	0.6
349.28772	1.1
367.29764	1.6
377.28513	0.3
385.30521	0.4
395.29419	2.6
413.30341	4.4
423.55930	0.3
431.31207	2.0
521.32507	0.4
539.33160	1.1
557.34454	1.7
575.35461	0.3
606.67126	0.3
692.80743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.7
55.05260	0.6
55.05500	9.3
57.03419	5.9
59.04984	7.5
61.02900	0.8
66.71822	0.4
67.05482	7.0
67.88218	0.4
68.77604	0.4
69.03413	11.6
69.07047	2.5
71.01327	1.1
71.04967	5.8
73.02887	0.6
74.79134	0.4
75.04453	0.4
77.06000	1.1
79.05470	5.5
81.03387	2.6
81.07035	10.9
81.07478	0.8
83.04959	26.9
83.08602	1.9
85.02882	63.1
85.05995	0.9
85.06520	34.9
87.04443	100.0
87.08080	0.5
88.09902	0.5
91.05440	7.5
93.07011	9.5
95.04955	3.5
95.08585	7.5
97.02860	6.4
97.06512	2.7
99.04430	10.9
101.05977	0.9
105.03400	0.6
105.06998	11.9
107.04942	1.0
107.08564	10.5
109.02862	2.7
109.10142	5.8
111.03651	0.8
111.04413	19.8
111.72007	0.5
113.05978	2.1
115.05441	0.5
115.07543	5.9
117.05507	1.8
117.06985	4.3
119.04940	0.5
119.08545	9.0
121.06464	2.1
121.10096	7.0
123.04362	0.6
123.08064	0.7
123.11701	0.6
125.05957	2.1
127.03857	4.6
129.05447	16.4
129.06912	4.0
131.08534	8.2
133.06464	0.9
133.10085	8.1
135.04410	0.5
135.11665	5.2
137.05966	0.5
137.09570	0.6
139.07568	0.9
141.05458	0.7
141.06952	1.0
142.07730	0.8
143.07002	8.4
143.08536	7.0
145.02792	0.6
145.04932	1.9
145.06520	0.6
145.08595	0.7
145.10106	8.7
147.04480	0.5
147.08032	2.1
147.11659	8.5
148.31105	0.4
149.05933	1.0
149.13258	3.5
155.08496	3.6
157.06473	0.9
157.10092	6.7
159.07993	0.8
159.11649	11.0
160.11986	0.6
161.08145	0.7
161.09535	1.7
161.13208	10.0
163.03810	0.6
163.07524	2.5
163.11172	0.9
165.05554	0.5
167.07018	0.9
167.08458	1.6
168.09363	0.9
169.10085	5.0
170.19745	0.5
171.07961	0.9
171.11595	3.4
173.09639	1.0
173.13197	4.6
175.07486	8.7
175.11092	0.4
175.14781	1.0
177.05484	1.9
177.09073	1.1
179.08531	0.4
181.10066	3.8
183.07977	0.7
183.11624	7.2
185.09567	1.0
185.13182	5.4
187.07494	1.1
187.11201	0.7
187.14787	2.7
189.09021	3.8
189.16348	0.8
190.11618	0.5
191.10609	0.9
193.05067	0.9
193.08540	1.0
193.10143	0.8
194.10846	0.5
195.11644	4.1
197.13231	3.9
199.11073	1.2
199.14801	4.5
201.09009	0.9
201.12712	0.6
201.16371	0.9
203.10652	1.0
207.09991	0.7
207.11703	0.6
209.09645	1.8
209.13261	4.3
211.11180	2.3
211.14789	2.6
213.09151	0.8
213.12700	0.9
213.16402	1.1
215.10652	1.1
215.14433	0.6
215.17967	2.9
221.13286	2.1
223.14630	0.9
225.16356	0.8
227.10628	7.1
229.12183	8.1
231.13866	0.6
231.17424	1.0
235.14761	1.9
237.07594	0.9
237.12794	0.8
237.16293	0.7
241.12221	3.0
243.13760	2.7
247.13283	1.1
249.16362	1.7
251.17909	2.7
253.19489	2.9
255.08521	1.6
255.13736	4.6
263.08838	0.5
263.14310	0.6
269.15247	0.8
273.09686	1.0
277.19473	2.8
281.15402	1.0
291.20856	5.8
295.16864	1.1
295.20453	0.6
301.19250	0.6
307.20529	0.5
309.21899	3.7
319.20459	5.2
327.22824	0.9
335.20236	0.8
337.21518	50.5
338.22028	0.7
353.21075	0.7
355.22571	53.9
371.21771	0.7
372.22806	0.6
373.23624	89.4
374.23889	0.7
389.22598	0.7
415.24548	4.4
433.25732	28.7
515.29474	0.7
561.03204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05502	7.6
57.03432	4.5
59.04713	0.4
59.04988	7.1
63.15737	0.3
63.25377	0.3
65.03929	0.3
67.05493	4.1
69.03417	6.2
69.07041	1.6
71.01337	0.4
71.04970	4.4
72.13007	0.3
73.06529	0.6
75.04464	0.4
77.06018	1.4
79.05465	3.4
81.03392	0.7
81.07036	5.8
83.04466	0.6
83.04961	15.9
83.08598	1.9
85.02887	48.1
85.06525	29.9
87.04446	100.0
87.08114	0.4
89.06000	0.6
91.05452	4.6
93.07020	6.7
95.04930	2.1
95.08587	3.7
97.02862	2.8
97.06505	1.9
99.04431	8.1
101.06013	0.7
105.07010	8.1
107.04910	0.3
107.08587	4.6
109.02866	1.8
109.06515	0.4
109.10144	3.0
111.04421	11.3
113.05954	2.3
115.03898	0.3
115.07549	4.1
117.05479	1.6
117.06989	3.1
119.08565	6.3
121.06471	0.4
121.10115	3.9
123.11670	1.1
125.05982	0.6
127.03867	2.2
128.06195	0.4
129.05444	8.8
129.06923	2.8
131.08557	5.9
131.76456	0.3
133.06450	0.4
133.10101	4.4
135.08072	0.4
135.11641	3.1
139.07526	0.4
141.07007	1.3
142.07729	0.4
143.07005	8.7
143.08525	4.0
145.04941	1.4
145.10109	6.3
147.04372	0.5
147.08067	0.8
147.11653	5.2
149.05908	0.4
149.09569	0.4
149.13268	2.2
155.08531	2.3
157.06485	0.5
157.10129	4.1
159.08038	0.5
159.11661	6.7
161.08026	1.4
161.09572	0.7
161.13205	6.9
163.07562	0.8
166.07716	0.3
167.08554	0.5
169.10066	2.5
171.07980	0.4
171.11626	3.3
173.09515	0.4
173.13237	1.8
175.07524	4.2
175.11093	0.4
175.14792	1.8
177.09102	1.2
179.08450	0.4
181.10033	2.8
183.11652	3.6
185.09583	0.5
185.13228	1.8
187.07559	0.7
187.11198	0.3
187.14818	1.6
189.09090	1.9
193.08603	0.6
193.10214	0.4
195.11714	2.1
197.09647	0.4
197.13190	2.5
199.06030	0.4
199.11232	1.2
199.14789	2.5
201.09038	1.2
201.16388	1.4
203.10655	1.4
203.14365	0.4
207.11732	1.3
209.09747	0.5
209.13249	1.8
211.11195	1.4
211.14836	1.7
213.09021	0.3
213.12740	0.4
213.16386	1.9
215.10670	0.4
215.14417	0.3
215.17929	2.9
217.12128	0.6
221.13292	0.8
223.11154	0.4
223.14867	0.6
225.16354	1.2
227.10651	4.9
227.14177	0.5
229.12202	5.6
231.17384	0.5
235.14746	1.6
237.07596	0.7
237.12828	0.5
241.12260	2.4
243.13730	1.2
247.13170	0.6
249.16364	0.6
251.17896	0.5
253.19461	2.1
255.08574	0.7
255.13779	2.4
263.17966	0.4
269.15332	0.3
273.09720	1.3
275.56476	0.4
277.19479	2.0
281.15317	1.7
281.22635	0.4
291.21014	3.5
293.22610	0.4
295.17108	0.3
301.19424	0.5
309.19073	0.4
309.21985	2.5
319.20526	3.0
326.34021	0.3
337.21518	32.3
353.20935	1.2
355.22598	31.7
371.22214	0.7
373.23639	55.8
374.23950	0.5
415.24863	1.8
433.25766	12.7
684.56708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81977	0.3
55.01859	1.4
55.05508	0.6
56.01532	0.3
57.03424	3.7
57.07062	2.3
59.04990	3.5
60.28487	0.3
61.02917	3.0
63.11239	0.3
65.03918	0.8
67.05488	13.8
69.03412	82.7
69.07053	1.7
71.04599	0.6
71.04971	10.6
73.02898	0.6
73.06527	0.8
75.60793	0.4
77.06042	0.3
79.05474	3.3
81.03397	4.1
81.07035	3.4
83.01338	0.4
83.04998	1.3
85.02885	24.2
85.06528	13.2
87.04453	2.6
89.03879	4.9
91.03956	1.5
91.05444	3.0
93.07011	2.9
95.04942	27.4
95.08559	1.7
97.02866	8.9
97.06505	5.9
99.04420	1.4
101.05989	1.4
103.05438	0.4
105.07017	3.9
107.04921	0.4
107.08578	3.5
109.02863	2.9
109.06497	1.4
109.10131	2.5
111.04442	0.5
113.05984	41.3
115.03846	0.4
117.03355	19.9
117.06990	0.8
119.08559	2.8
121.06454	0.4
121.10068	0.7
125.05957	0.6
127.03871	4.4
128.06190	0.9
129.07019	0.6
131.04916	0.6
131.08496	1.6
133.06494	0.4
133.10072	1.5
134.03517	0.7
135.04369	1.7
135.08052	0.5
135.11678	1.8
137.05928	0.5
141.06958	0.5
142.07835	0.4
143.08521	4.7
145.02823	67.7
145.04904	5.8
145.08566	13.1
145.10081	1.6
146.03082	0.6
147.04269	0.4
147.08046	0.4
147.11647	2.4
149.05956	9.6
153.05481	0.4
155.08543	1.5
157.10100	1.6
159.11674	1.5
161.05933	0.5
161.13197	0.6
163.03885	0.7
163.05972	1.7
163.07463	0.7
166.07610	0.6
167.07088	0.7
167.08501	0.5
168.09314	0.4
169.10115	1.8
171.11609	0.7
173.13232	0.7
175.14758	0.8
176.08321	0.7
177.05428	100.0
178.05750	2.1
179.06975	0.5
181.10042	2.4
182.10910	0.4
183.11652	0.7
185.13126	0.5
187.07500	5.6
187.11145	0.4
187.14777	1.7
189.07530	1.4
191.06946	0.4
195.06482	0.7
195.11690	1.5
197.09836	0.4
199.11086	0.7
207.10095	0.5
209.13240	0.5
211.14665	0.5
219.06532	0.5
225.09071	0.9
227.10744	2.5
239.10561	2.1
241.12097	0.5
243.10019	0.5
253.12212	0.7
284.74545	0.4
289.19278	0.6
306.96680	0.4
307.00113	0.4
307.20435	0.7
314.65396	0.4
321.09583	1.5
325.21414	1.6
335.19952	6.5
339.10678	5.1
353.21021	35.6
354.21094	0.5
371.22052	12.2
389.23010	1.7
407.92276	0.5
431.23798	1.6
449.25211	8.8
727.76172	0.5
789.26038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51506	1.2
55.01865	1.2
55.05506	1.1
57.03415	6.0
57.07061	8.3
59.04979	7.1
61.02900	1.8
64.59652	1.1
67.05141	1.5
67.05492	32.5
69.03414	30.2
69.07034	4.5
71.04976	22.4
73.09329	1.2
79.05474	6.8
81.03384	6.4
81.07039	13.3
81.12396	1.2
83.04957	2.1
85.02895	23.5
85.06525	23.5
87.04438	7.3
87.76994	1.3
91.05457	5.2
93.07027	8.7
95.04944	32.1
95.08572	7.6
97.02869	7.4
97.06490	9.3
98.79639	1.1
99.08055	1.4
105.07017	8.4
106.46442	1.1
107.08558	10.2
109.02850	2.2
109.06480	1.9
109.10135	1.9
110.47231	1.1
113.05984	100.0
117.07030	2.1
119.08541	6.9
121.06476	2.1
121.10126	7.6
123.08097	1.6
123.13343	1.3
127.03892	6.0
129.07030	1.5
131.08545	3.0
133.10085	6.1
135.04404	2.4
135.11685	2.2
137.05960	2.1
137.09570	2.4
139.03912	1.6
143.08548	5.1
145.02821	1.8
145.04941	5.6
145.06458	1.0
145.08580	19.1
145.10089	6.4
147.11609	2.5
155.08499	5.3
157.10141	7.2
159.11681	6.5
161.05804	1.7
161.09630	1.5
161.13202	2.4
161.76039	1.3
163.03885	11.7
167.08467	1.6
169.10030	2.0
171.11713	2.1
175.14751	5.2
181.10118	1.5
183.11668	2.6
185.13231	2.3
187.14633	1.5
189.09058	1.8
193.10240	1.7
195.11591	1.5
199.11150	1.4
199.14894	4.2
201.16412	2.2
203.07054	1.5
207.11836	1.5
209.13252	2.1
211.14897	1.8
217.95428	1.2
227.10626	1.8
227.17929	7.5
289.19373	2.2
304.01962	1.6
307.20432	2.1
325.21545	1.8
335.20029	12.1
353.21045	31.2
371.22009	16.7
413.22961	7.5
431.24219	61.0
432.25232	1.8
446.46857	1.3
449.25272	9.7
526.86108	1.4
593.95306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05509	0.2
57.03434	1.3
59.04992	0.8
64.33296	0.2
64.52635	0.2
67.05497	1.8
68.56679	0.2
69.03414	11.4
69.07061	0.4
71.01341	0.2
71.04971	1.2
71.12787	0.2
71.47465	0.2
73.02894	0.2
75.04433	0.2
79.05492	0.8
81.03407	1.8
81.07043	1.0
83.04963	0.3
85.02892	5.7
85.06531	1.2
87.04454	1.7
89.03895	3.8
91.05474	1.1
93.07021	1.1
95.04942	3.0
95.08582	1.2
97.02870	3.7
97.06502	1.4
99.04424	0.5
105.07005	1.3
107.08587	0.8
109.02855	0.8
109.06498	1.3
109.10133	0.9
113.05997	5.2
115.03907	1.3
117.03359	17.5
117.06975	0.4
119.04955	0.3
119.08558	0.9
121.06474	0.4
121.10086	0.3
123.08067	0.8
124.05194	0.2
127.03880	1.1
131.04924	0.8
131.08565	0.4
133.04935	1.2
133.06450	0.5
133.10112	0.7
134.03590	0.8
135.04404	1.7
135.11705	0.2
142.07779	0.2
143.08530	0.8
145.02831	64.9
145.08582	1.5
145.10033	0.3
146.03130	0.7
147.04352	0.4
147.07982	0.3
149.05969	7.5
149.13181	0.2
151.07396	0.2
155.08624	0.2
157.10060	0.2
159.11639	0.7
161.05933	2.3
162.03062	0.3
163.03870	1.2
163.07512	0.8
167.07069	0.2
171.11671	0.2
173.13275	0.4
175.07474	0.4
176.08295	8.6
177.05435	100.0
178.05743	1.2
181.10147	0.2
185.13312	0.3
186.05464	0.4
187.07512	0.7
187.14838	0.3
189.05458	0.2
191.06999	0.4
195.06523	1.2
195.11563	0.2
207.10117	5.8
209.13255	0.3
279.20963	0.4
297.21985	1.1
298.22412	0.3
309.09509	0.3
315.23111	2.2
316.23407	1.2
321.09604	1.1
321.72107	0.2
335.19998	0.8
339.10684	7.2
353.21027	4.2
371.22125	1.3
389.22800	0.2
432.39966	0.2
449.24866	1.0
564.39166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.1
57.03424	0.3
63.02342	0.2
67.05473	0.1
68.61633	0.1
69.03408	1.5
70.92524	0.1
71.04975	0.2
73.02906	0.1
76.56437	0.1
81.03393	3.8
81.07051	0.1
84.89684	0.1
85.02886	2.1
85.03362	0.1
87.04449	0.4
88.49103	0.1
89.03888	3.0
89.04447	0.1
91.05453	0.3
97.02872	1.1
99.04408	0.3
103.05443	0.1
104.46760	0.1
105.07004	0.1
106.04131	0.2
109.02855	1.5
110.98227	0.1
114.08125	0.1
115.03883	0.1
117.03351	14.1
117.09184	0.1
118.03691	0.1
119.04886	0.1
121.06461	0.1
124.05193	0.1
127.03876	0.5
131.04852	0.1
134.03598	0.9
135.04398	1.1
137.05994	0.1
145.02815	61.9
146.03157	0.8
147.04382	0.2
149.05949	6.7
159.27963	0.1
162.03043	0.1
163.03854	0.6
167.03334	0.1
177.05421	100.0
178.05775	1.3
186.05434	0.5
195.06456	1.8
200.53705	0.1
234.70361	0.1
243.26743	0.1
291.08679	0.1
309.09561	0.4
314.19110	0.1
321.09604	3.8
339.10657	10.1
340.10971	0.3
501.15811	0.1
735.27295	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	770.577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	23.3
57.03428	25.1
57.07071	50.8
61.02908	5.2
67.05495	70.0
69.07059	21.2
69.91251	1.1
71.05001	1.2
71.08612	33.0
79.05479	35.8
81.07043	68.3
83.04946	1.1
83.08611	19.2
85.02914	2.1
85.10172	18.2
89.06029	1.5
90.26525	1.1
91.05466	17.5
93.07027	44.9
95.04964	2.3
95.08586	64.3
97.06516	1.4
97.10164	7.5
103.07536	1.4
105.07007	13.4
107.08594	26.8
108.83879	1.0
109.10142	26.2
116.09303	1.1
117.07023	8.5
119.08565	11.2
121.10130	17.6
123.11674	6.6
128.67896	1.2
131.08524	12.5
133.10083	7.9
135.11664	12.1
137.13249	1.4
145.10138	6.3
147.11676	6.0
149.13220	8.5
151.83981	1.1
159.11682	6.2
161.13260	2.4
163.14801	2.0
173.13226	1.6
175.14842	2.0
187.14769	2.0
228.81656	1.1
239.23544	2.1
243.21074	6.6
257.24774	2.0
261.22095	28.9
313.27325	100.0
314.27853	1.3
317.24551	5.4
335.25748	78.9
377.58951	1.2
462.51022	1.1
483.13492	1.5
558.49017	1.2
573.48682	44.1
591.49463	9.2
668.89478	1.3
799.40839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40850	0.3
55.01855	2.1
55.05499	0.8
57.03222	0.3
57.03429	5.0
57.07065	6.0
59.04702	0.6
59.04987	9.1
61.02914	3.0
65.03922	2.0
66.63556	0.3
67.05489	30.9
69.03413	20.8
69.07041	1.6
71.04972	18.9
73.02894	1.2
73.06522	0.5
79.05476	5.2
81.03391	2.9
81.07037	4.4
83.04958	3.5
83.08628	0.4
85.02888	21.6
85.06525	26.2
85.86207	0.3
87.04446	6.5
91.03944	0.6
91.05470	3.4
92.08688	0.5
92.09213	1.2
93.07021	6.7
95.04943	42.8
95.08581	3.8
97.02871	6.8
97.06506	7.2
99.04427	1.2
101.05976	0.8
105.03362	0.5
105.07001	6.0
107.04913	1.5
107.08578	4.7
109.02853	2.6
109.06496	2.4
109.10141	1.8
111.04431	0.8
113.05984	100.0
115.05419	0.6
117.06992	2.6
119.08567	4.1
119.55144	0.3
121.06493	2.4
121.10119	0.6
123.04415	1.6
123.08047	0.6
125.05943	0.7
127.03887	4.4
127.07573	0.4
128.06209	0.6
129.06998	2.9
131.08539	4.5
133.06494	1.5
133.10126	2.9
133.67293	0.3
134.13564	0.3
135.04381	0.4
135.08005	1.3
135.11726	0.6
137.05983	0.7
137.09583	0.4
139.03865	0.5
141.06961	1.6
142.07790	0.6
143.08551	6.9
145.04921	4.2
145.06598	0.6
145.08583	20.7
145.10100	5.2
147.08066	0.5
147.11655	1.8
149.05974	0.6
149.09560	0.5
153.05431	1.3
153.07007	0.8
153.75096	0.3
154.07741	0.6
154.50031	0.3
155.08540	4.2
156.09337	0.4
157.06419	0.5
157.10083	4.2
159.08054	2.0
159.11662	3.4
161.09583	1.5
163.05998	0.6
163.11194	0.5
165.06946	1.6
166.07782	0.6
167.08557	1.8
168.09366	0.7
169.10069	6.4
171.08017	1.5
171.11656	2.1
173.06039	0.4
173.09583	0.8
173.13181	1.7
175.07562	1.5
175.11203	0.5
178.07707	0.4
179.07147	0.5
179.08453	2.5
180.09279	0.4
181.10046	6.0
183.08029	0.8
183.11681	4.1
185.09590	1.3
185.13182	2.6
187.07494	1.2
187.11134	0.4
187.14845	0.5
189.07526	0.6
189.09044	0.6
191.08606	0.6
191.78149	0.4
192.09413	0.5
193.10136	2.5
194.11035	0.4
195.08026	0.5
195.11661	3.8
197.09607	4.2
197.13293	1.4
199.11208	1.6
199.14755	1.3
201.09076	0.5
201.16295	1.2
203.14244	0.5
205.10130	1.2
207.07991	0.4
207.11673	2.3
209.09602	2.1
209.13214	2.1
211.11156	1.9
211.14926	0.8
213.09158	0.6
213.12839	1.1
215.08763	0.5
215.10648	2.9
217.10138	0.6
218.10867	0.4
219.11697	1.6
221.09679	0.5
221.13190	2.3
223.11182	1.7
223.14842	1.4
225.09068	4.9
225.12704	0.4
227.10634	2.2
227.14209	0.6
229.12161	0.4
229.15923	0.5
231.11638	2.0
232.12306	0.4
233.09822	0.4
233.13216	0.7
234.14180	0.4
235.14847	1.9
239.10608	1.2
239.14331	0.3
241.12137	1.2
243.09996	3.1
245.13243	0.8
245.15282	1.2
246.16194	0.4
247.14780	1.7
247.16994	0.7
249.12799	0.5
249.16402	1.2
251.10579	1.6
253.12102	1.3
253.15976	0.3
259.14746	0.6
261.16202	0.8
263.14108	0.5
267.13770	0.5
267.17453	1.2
271.16916	0.7
273.16245	0.7
275.14240	0.6
277.12161	1.3
277.19501	1.3
279.13977	0.5
279.17398	0.4
281.15274	1.7
281.18573	0.6
285.18381	0.4
287.17892	1.7
289.19467	0.4
291.13879	0.8
291.17371	1.8
293.15231	1.2
305.15744	0.5
305.18958	4.5
307.17007	1.3
307.20377	1.2
309.18350	3.3
315.17310	0.8
323.19934	4.9
325.17914	0.6
325.21588	0.5
333.18372	10.4
341.21298	0.8
351.19489	24.6
369.20523	35.4
387.21579	26.3
411.21439	3.8
429.22592	10.4
447.23663	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.5
57.03429	6.5
59.04988	6.3
63.52528	0.8
67.05490	5.7
69.03409	6.7
69.07056	1.3
69.13792	0.8
71.04982	5.7
73.06508	0.7
77.06034	0.9
77.67408	0.8
79.05475	8.1
81.03436	1.6
81.07038	11.2
83.04966	24.6
83.08643	1.9
85.02890	47.2
85.06522	25.1
87.04448	68.6
91.05457	5.2
93.07031	11.0
95.04934	1.8
95.08564	9.8
97.02856	5.1
97.06493	1.9
99.04433	5.8
101.05969	1.2
105.07007	14.2
107.04910	1.2
107.08583	12.5
109.02888	1.2
109.06501	1.5
109.10131	3.6
111.04407	17.9
115.07539	4.1
117.06989	5.7
117.20630	0.8
119.08545	8.5
121.10129	8.8
123.04414	0.8
123.08076	1.5
125.05945	3.9
127.03897	1.4
128.06168	1.0
129.05429	15.0
129.06978	3.1
131.08510	10.3
133.10103	6.0
135.11658	1.8
137.09628	1.0
143.07013	6.1
143.08577	7.2
145.10101	9.0
147.11655	7.0
153.05498	3.9
155.08553	5.7
157.10092	7.6
159.07999	1.5
159.11676	8.9
161.13193	1.3
167.08585	1.3
168.09381	1.0
169.10059	1.7
171.07933	0.9
171.11685	3.9
173.09846	0.9
173.13214	9.2
175.14774	6.7
179.08548	1.0
181.10132	5.2
183.11717	4.4
185.09576	1.6
185.13235	4.7
195.11697	2.0
197.09575	1.4
197.13211	3.6
199.11179	1.6
199.14835	3.7
201.12727	1.0
201.16411	4.6
203.07005	1.4
207.11703	1.6
209.09677	1.4
209.13333	2.0
211.11313	0.9
211.14864	1.2
217.12270	1.1
225.12648	1.2
227.10681	3.5
227.17815	6.8
229.12213	1.8
237.16209	1.2
241.12384	1.4
251.17891	1.3
253.12247	3.5
261.16446	1.0
265.19427	1.5
271.13220	0.9
273.09720	1.4
275.17871	1.9
279.13770	1.0
279.20996	1.2
289.19492	4.1
293.15518	1.6
295.31580	0.9
306.86694	0.9
307.20413	1.8
307.43945	1.0
317.18787	1.6
325.21503	4.5
335.19946	16.9
353.21005	44.0
371.22079	19.0
413.23123	6.1
426.70099	0.9
431.24216	100.0
472.26523	1.4
520.09589	1.2
591.31165	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	768.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05508	2.3
57.03432	0.5
60.54080	0.4
66.56186	0.4
67.05492	15.3
69.03411	7.8
69.07052	0.8
69.95853	0.4
70.06586	0.7
71.04974	1.9
73.02918	0.7
78.04683	0.4
79.05475	3.6
81.03395	23.9
81.03865	0.9
81.07032	11.2
83.04975	0.9
85.02876	6.7
85.06540	0.8
91.05455	6.3
93.07019	7.0
95.04939	5.3
95.08588	7.3
97.02877	5.3
97.06506	0.9
99.04416	3.3
103.05444	6.0
105.07024	1.1
107.04935	3.6
107.08582	2.3
108.04476	0.6
109.02862	19.3
109.06498	3.0
109.10137	46.6
111.04401	2.2
117.03334	1.0
119.04893	2.6
119.08556	3.4
121.02866	0.5
121.06471	13.2
121.10142	0.8
123.04404	3.4
125.02232	0.5
125.05966	3.0
127.03887	15.1
131.04907	6.6
133.02856	2.2
133.06442	0.8
134.03670	0.8
135.04340	2.0
135.08037	0.8
137.05977	11.3
137.09592	100.0
140.04631	2.9
145.02869	3.4
147.04367	3.1
147.08029	0.9
148.05154	1.0
149.05965	17.6
151.03873	2.0
152.04688	0.8
155.07005	2.4
155.10626	5.7
159.04424	5.5
163.03853	2.8
163.07431	0.9
165.05473	1.9
165.09074	57.4
166.08539	0.5
167.06996	95.7
176.04666	0.7
177.05426	35.1
179.06995	0.6
183.10095	4.0
189.05527	0.7
191.06903	0.9
193.08582	1.0
194.05682	1.9
195.06453	0.7
201.11159	4.3
207.06424	0.6
209.08055	16.0
227.09091	36.3
233.07990	0.7
235.05804	0.5
237.02576	0.6
244.35732	0.6
291.12100	2.1
300.04562	0.6
309.13251	8.6
318.59326	0.5
327.14316	14.8
328.73489	0.5
345.15283	1.1
369.15326	1.1
385.37485	0.6
387.16159	0.6
435.16025	2.2
453.12097	0.6
453.17508	10.7
471.12344	0.7
471.18552	15.9
489.19702	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	765.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05508	1.1
57.03426	3.1
60.17355	0.5
61.02915	9.0
67.05482	6.2
69.03425	5.2
69.07071	2.4
70.45214	0.5
71.01329	0.6
71.04996	0.5
73.02901	5.8
78.71831	0.6
79.05486	5.5
81.03409	3.2
81.07034	6.6
83.08621	1.0
91.03934	4.1
91.05470	2.7
93.07021	8.2
95.04958	0.9
95.08590	4.7
96.16274	0.5
97.02860	6.6
101.02354	2.2
105.07027	2.5
107.08569	1.2
107.13416	0.5
109.02914	0.8
109.10187	1.1
117.06960	0.8
119.08523	0.6
121.10134	1.4
127.03941	2.4
131.08551	1.4
133.10249	0.8
135.11746	0.8
147.11699	1.2
185.04306	1.1
223.79324	0.6
243.08386	3.3
262.93436	0.6
269.13791	2.5
287.44394	0.8
335.25909	0.8
443.18625	4.1
456.83298	0.7
487.21414	3.6
519.29187	12.0
540.13232	0.7
646.36646	0.7
721.40680	1.0
765.43774	100.0
766.44269	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	764.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81667	0.3
55.01861	0.4
63.63394	0.3
69.03394	2.2
69.07047	0.3
70.06545	0.3
71.04977	0.3
81.03384	4.1
81.07034	0.6
85.02870	2.0
89.03886	3.2
91.05473	0.4
93.07019	0.6
95.04955	0.4
95.08603	0.5
97.02838	2.0
99.04414	0.5
105.06978	0.5
107.08553	0.4
109.02856	1.8
109.10152	0.4
117.03349	12.1
119.04916	0.4
119.08517	0.4
123.11700	0.4
127.03857	1.3
134.03590	0.6
135.04379	1.4
135.15779	0.4
145.02823	55.6
149.05946	6.1
163.03850	1.7
167.07043	0.7
177.05424	100.0
178.05818	0.6
181.04805	0.4
186.05472	1.2
195.06502	1.4
219.01512	0.4
321.09537	3.3
339.10638	9.9
523.75287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
57.03425	2.3
61.02917	5.1
61.68479	0.4
67.05489	5.6
69.03418	4.3
69.07053	2.1
71.05003	0.7
73.02890	4.3
79.05470	3.9
80.11542	0.4
81.03406	4.0
81.07046	6.5
83.04951	0.7
83.08614	0.6
91.03938	3.8
91.05473	2.2
93.07031	4.5
95.04939	0.6
95.08572	3.8
97.02869	5.5
97.06487	0.4
99.04448	0.8
101.02366	2.5
105.07042	2.1
105.97828	0.4
107.08568	2.9
109.10154	0.9
114.37682	0.4
119.08594	1.6
121.10151	3.3
127.03928	2.0
131.08594	0.6
131.43044	0.4
133.10106	0.9
135.11687	0.4
139.11201	0.9
145.10075	0.5
147.11647	0.8
149.09665	0.6
150.65797	0.4
179.34470	0.4
185.04283	0.9
190.78104	0.5
243.08456	2.6
269.13608	2.3
443.18796	5.2
469.20859	0.5
487.21405	4.6
495.69101	0.5
519.29114	9.3
654.87427	0.5
721.40857	1.0
747.42926	1.6
764.42499	0.7
765.43750	100.0
766.43915	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	764.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.5
55.05483	0.7
57.03416	1.1
57.07050	0.6
61.02914	0.9
61.34181	0.6
63.27343	0.5
65.03927	3.2
66.16055	0.6
67.05483	1.3
67.82840	0.7
69.03404	4.3
69.07064	0.9
71.04961	0.9
78.04695	0.9
79.05462	4.5
79.45741	0.7
81.03406	3.9
81.07040	2.8
85.02898	11.1
85.06503	0.9
86.36450	0.7
91.05455	9.9
93.07022	1.2
94.04148	1.0
95.04950	4.1
95.08562	4.7
97.02872	4.0
97.06511	1.1
99.04421	0.8
100.11250	0.8
103.05443	11.3
105.03403	1.2
105.06989	6.6
107.04930	7.1
107.08591	1.2
108.02058	0.7
109.02865	1.0
109.06504	2.9
109.10102	0.9
110.03645	1.5
111.04417	3.7
115.05444	4.2
117.06995	4.2
118.04123	1.5
119.04930	9.9
119.08533	1.7
121.02848	3.7
121.06458	3.6
121.10117	0.9
122.03614	1.6
123.04414	3.8
123.08124	1.2
125.05982	3.9
127.03920	0.8
128.06183	1.7
129.06969	4.8
131.04895	22.7
132.05673	0.8
133.02797	7.2
133.06474	6.5
135.04399	1.0
135.08067	1.3
137.05946	51.8
138.09154	3.7
139.07486	3.5
141.05431	1.1
141.06937	0.8
142.12204	0.8
143.04953	1.1
145.02821	3.8
145.06461	5.2
145.10062	0.9
147.04375	10.1
147.08037	4.6
148.05165	6.3
149.05948	2.8
151.03880	45.0
151.04980	3.1
151.07553	3.1
153.05464	6.5
157.06445	1.1
159.04416	0.7
159.07980	4.9
160.05191	3.2
161.05936	7.4
161.09621	0.8
163.03864	3.2
163.07474	12.9
165.05487	2.4
165.06862	1.4
166.08600	4.6
167.06996	38.8
169.06432	1.3
171.06395	0.7
173.05956	3.3
175.07497	20.8
176.04626	0.9
177.05473	7.8
177.09120	1.6
178.07797	0.8
179.07007	6.0
179.08440	1.3
181.04926	20.1
181.06441	1.6
183.08084	0.7
184.05295	0.8
184.09703	4.3
185.05959	1.4
187.07503	6.1
189.07040	1.2
189.09047	1.3
190.07758	1.5
191.07001	45.3
191.08484	3.0
193.04903	0.8
193.06740	1.2
193.08594	9.0
194.07253	4.5
195.08089	3.1
197.06125	0.9
198.06822	0.9
199.07516	4.5
201.09097	1.0
202.07777	3.0
203.06972	3.8
203.08516	3.2
205.06398	3.3
205.08540	2.9
206.07254	2.7
207.08058	3.3
208.08754	1.4
209.09671	1.6
211.07547	1.3
217.08588	1.5
218.07268	3.5
219.06364	0.7
219.08037	7.2
219.10034	1.9
220.08798	4.8
221.05939	1.5
221.09645	1.7
222.06706	3.9
223.07466	2.6
224.08264	0.9
225.09178	1.1
226.06204	0.8
231.08014	6.9
232.08861	3.7
233.05902	1.4
233.07765	1.1
233.09702	1.6
234.06796	2.9
235.07518	7.2
236.08260	6.6
237.09106	7.7
238.06021	1.3
238.09694	1.2
239.07027	3.6
239.10732	1.0
240.07739	0.9
246.06760	1.6
247.07507	6.0
248.08304	7.8
249.05547	1.3
249.09021	7.1
250.06232	3.8
250.09734	1.3
251.06985	5.3
251.10669	4.9
252.07779	2.8
253.08487	4.7
254.09460	0.9
255.10236	0.9
259.07520	3.3
260.08264	1.1
261.09103	3.9
262.09991	1.3
263.06802	3.3
263.08966	5.8
264.07742	5.7
265.08508	19.6
266.09302	3.9
267.10065	3.5
269.11664	0.9
273.08859	1.3
275.06873	2.7
276.07651	6.3
277.08478	5.0
278.06247	0.7
278.09189	4.7
279.06488	3.1
279.10059	6.2
280.07474	0.9
280.10696	1.1
281.08047	3.2
281.11398	1.2
282.08932	1.5
283.09631	3.9
287.06656	0.8
289.05215	0.8
289.08557	3.0
290.09241	1.6
291.06836	1.6
291.10031	16.0
292.07187	1.4
293.07877	8.0
294.08929	7.4
295.09579	4.9
297.11133	4.6
299.12686	0.9
301.08682	1.4
304.07098	1.0
306.08728	1.0
307.09586	6.6
308.10455	3.4
309.11090	17.8
311.09290	1.5
311.12643	12.1
313.10605	3.2
319.09589	16.7
320.10193	1.3
321.11090	3.2
322.08383	1.2
323.09113	3.5
325.10669	5.6
326.11438	0.9
327.12155	1.5
329.13879	7.7
336.09796	1.2
337.10617	84.1
338.11273	7.2
339.12222	12.3
340.13004	1.0
341.13614	6.9
351.12164	19.2
352.12787	0.9
353.13904	6.0
355.11407	1.5
355.15286	4.6
357.13263	10.4
359.14771	1.2
369.13242	100.0
370.13571	3.3
387.14279	24.7
659.94025	0.8
675.11780	0.8
718.45813	0.8
721.51501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05480	0.5
57.03423	1.2
61.02891	0.6
64.32995	0.5
65.03922	2.0
67.05471	0.5
69.03410	3.7
78.04690	0.9
78.74335	0.4
79.05486	2.6
81.03394	2.2
81.07030	0.7
83.04948	0.5
85.02898	5.9
91.05461	7.7
93.07014	0.8
95.04955	2.0
95.08611	0.4
97.02856	2.6
97.06506	0.5
99.04446	0.8
99.34937	0.5
103.05460	2.6
105.03391	1.0
105.06990	5.0
107.04916	5.9
107.08517	0.6
108.93155	0.5
109.02869	1.9
109.06501	0.6
110.03631	1.1
111.04425	2.9
115.05421	2.3
117.07009	1.1
118.04107	0.5
119.04920	7.2
119.08537	2.3
120.77335	0.5
121.02870	5.8
121.06471	2.0
121.10103	0.5
122.03613	1.0
123.04404	2.6
124.05157	0.7
125.05965	3.8
127.03841	1.1
128.06216	0.7
129.06966	3.5
130.04189	0.6
131.04886	4.9
131.08546	0.6
132.05714	2.0
133.02821	7.1
133.06438	4.6
134.03586	0.4
135.04404	2.2
137.05954	15.1
141.06915	0.5
144.05602	0.6
145.06506	3.7
147.04385	7.4
147.08023	3.4
149.05949	2.6
151.07542	2.8
152.04689	0.6
153.05457	6.0
153.06697	0.7
155.04842	0.4
157.06458	0.7
159.08032	4.5
160.05179	2.2
161.05959	5.0
163.03905	0.7
163.07555	2.5
165.05547	0.8
165.07005	2.8
167.03328	0.6
167.07010	33.8
168.99103	0.4
171.06512	0.7
171.07970	0.8
173.05975	0.5
174.06706	0.6
175.07513	19.8
176.04716	0.5
177.05446	2.9
178.07744	2.2
179.07033	2.4
179.08469	1.8
181.04953	9.0
181.06432	1.0
182.07182	0.6
183.08128	0.5
186.06783	0.9
187.07454	5.2
189.07013	2.1
189.08978	0.7
190.07747	2.0
191.06921	3.2
191.08565	4.2
192.09308	0.7
193.06689	1.0
193.08568	10.1
193.10298	0.6
193.79582	0.5
194.07292	3.0
194.78937	0.5
195.08069	2.8
199.07527	4.4
201.09061	1.1
202.07773	4.1
203.06772	0.7
203.08427	4.3
204.09190	0.6
205.06473	3.4
205.08310	0.6
206.07233	2.0
207.08031	4.7
208.08827	2.0
209.05940	0.8
209.09630	1.1
210.06691	0.7
211.07533	2.4
215.08577	2.0
217.06572	0.7
217.08578	1.8
218.07231	4.1
219.08040	9.1
220.08817	5.7
221.05956	2.5
221.09584	3.5
222.06725	3.0
223.07526	4.4
224.08340	0.7
225.09045	2.4
226.06242	0.7
230.07056	0.9
231.07997	7.0
232.08774	3.1
233.05954	3.4
233.09506	2.0
234.06688	2.2
235.07487	9.1
236.08272	5.8
237.05356	1.0
237.09030	7.1
238.06171	1.2
238.09702	1.1
239.07059	1.9
240.07680	0.9
245.05939	0.8
245.09448	0.9
246.06729	1.8
247.07501	6.7
248.08292	6.9
249.05377	0.8
249.09058	7.4
249.11292	1.4
250.06139	3.1
250.09889	2.8
251.06952	3.5
251.10641	4.7
252.07841	3.7
252.11134	0.5
253.08586	6.5
254.09325	0.8
258.06760	1.0
259.07468	2.5
260.08307	2.2
261.05475	0.8
261.09079	5.4
262.06085	0.7
262.09888	2.8
263.06940	4.5
263.10492	3.7
264.07703	5.8
265.08557	19.9
266.05750	0.9
266.09320	4.2
267.06711	0.6
267.10114	4.1
269.11673	0.7
271.09827	0.7
273.09006	3.0
275.07025	2.3
276.07724	6.2
277.08505	5.1
278.05911	0.5
278.09320	2.8
279.06476	3.8
279.10175	7.3
280.07162	2.0
280.10977	2.6
281.08115	4.0
281.11685	3.0
282.08823	2.3
283.09647	3.1
289.05481	0.5
289.08594	3.1
290.09390	2.4
291.06744	0.7
291.10074	15.6
292.07275	0.9
292.10831	0.8
293.08099	7.6
293.11526	1.0
294.08789	6.5
295.09592	3.6
296.10596	0.6
297.11258	2.7
301.08533	0.8
304.07315	1.0
305.07910	2.0
306.08801	0.8
307.09604	8.8
308.10376	4.9
309.11136	18.4
310.11990	0.9
311.09259	1.8
311.12656	11.2
313.10757	1.1
315.13263	0.5
319.09613	18.0
320.10406	2.3
321.07816	0.6
321.11176	3.1
322.08423	2.0
323.09058	1.7
323.12769	2.0
324.09689	0.6
325.10663	5.7
326.11258	1.8
329.13773	6.2
337.10645	85.2
338.11310	7.1
339.12219	13.9
340.13065	1.7
341.13763	5.7
351.12192	21.6
352.13007	1.7
353.13837	5.8
354.11069	0.8
355.11429	0.6
355.15182	3.8
357.13284	12.5
369.13248	100.0
370.13657	3.4
387.14212	4.2
489.19418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
56.76921	1.8
59.36412	1.8
61.02913	4.9
67.05485	11.7
68.97623	1.7
69.03393	2.3
69.07098	1.9
73.02885	4.2
79.05474	4.2
81.07033	10.5
83.79446	2.1
85.02889	4.7
91.03939	2.2
91.05462	2.9
93.07048	4.0
95.08583	2.2
97.02877	9.0
99.88563	2.0
101.02338	2.1
105.07053	2.0
109.10168	2.8
121.10141	2.2
135.11661	2.3
154.73409	2.2
234.21483	2.1
380.48669	2.5
451.24088	2.0
462.45181	2.2
485.23868	4.0
519.29303	8.9
763.45892	100.0
764.46509	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	764.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81778	0.5
55.01857	2.8
60.11367	0.5
61.61702	0.5
62.59351	0.5
64.33435	0.5
65.03917	2.8
67.05485	3.0
69.03401	3.0
69.07059	1.4
69.36637	0.5
70.06584	0.7
79.05470	3.6
81.03388	3.6
81.07043	2.7
85.02888	5.3
91.05452	7.3
94.04157	1.4
95.04947	5.2
95.08546	0.9
97.02887	1.1
97.06486	1.2
98.97552	0.7
102.69974	0.6
103.05441	26.0
105.03335	1.0
105.07012	5.2
107.04926	5.0
107.08582	0.9
109.02856	1.0
109.06494	1.4
109.10139	0.6
110.03615	0.7
111.04407	2.5
115.05420	5.2
117.07005	4.7
118.04146	4.9
119.04918	8.4
119.08577	1.1
121.06454	2.9
121.10149	0.6
122.03615	4.4
123.04418	3.2
124.05148	1.0
125.05947	2.8
129.07004	2.9
130.04126	1.1
131.04898	49.8
131.08537	0.8
132.05760	1.0
133.02795	4.4
133.06456	6.3
133.10162	0.6
134.03545	0.8
135.04391	0.9
135.08046	2.6
136.05261	0.7
137.05946	99.1
138.06326	1.2
139.07561	0.8
141.05486	2.2
143.04890	2.2
145.02812	1.1
145.06433	8.8
145.10106	0.8
146.03664	0.8
147.04367	12.5
147.08038	1.2
148.05164	11.9
149.05946	4.0
151.03877	97.1
151.04927	5.2
151.07526	3.7
153.04317	0.6
153.05388	4.4
155.07011	0.9
157.06442	2.7
159.04373	0.9
159.07991	1.2
160.05127	2.2
161.05904	5.9
162.06752	0.7
163.03915	1.0
163.07504	34.1
165.05446	4.3
165.06734	0.5
165.09033	0.8
167.06992	12.7
171.04372	2.2
171.06406	0.9
173.04692	0.6
173.05911	5.1
174.06725	1.1
175.07500	11.5
176.04636	4.1
177.05402	5.3
177.09077	1.3
178.06155	0.8
179.07008	6.4
181.04913	29.4
181.28178	0.7
187.07477	5.3
189.05385	2.4
189.09056	2.7
190.06197	0.8
191.06989	100.0
192.07416	1.0
193.04822	1.2
193.08575	3.3
199.07466	0.6
201.05376	0.9
203.06915	6.4
205.06633	1.3
205.08572	4.9
207.08153	1.0
207.10069	0.9
209.08057	3.8
217.08635	0.9
219.08096	0.7
219.10222	2.4
223.09421	0.9
233.06024	0.9
233.08023	5.2
235.07376	1.1
235.09654	3.5
237.09088	2.3
245.08107	0.8
249.08955	2.3
259.09515	0.8
262.06094	0.9
263.06580	0.9
263.09091	13.8
265.08469	2.5
267.10187	2.4
277.08450	3.3
279.09833	0.8
291.10052	0.8
293.08078	1.2
295.09500	1.4
297.11096	1.3
299.12427	0.7
309.11276	0.6
325.10608	2.6
326.11237	0.6
327.12210	3.4
329.13940	1.2
337.10550	1.2
341.13901	0.8
351.12381	1.4
353.13690	0.7
355.11649	8.5
357.13162	1.0
359.15045	2.0
369.13190	5.8
387.14282	50.5
437.47607	0.7
517.18073	1.6
549.21167	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	763.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05498	3.5
57.03428	4.2
57.07063	0.9
61.02917	7.2
64.32890	0.4
65.62089	0.4
67.05492	9.4
68.05822	0.5
69.03420	4.7
69.07066	2.7
70.06586	0.7
71.04980	0.7
73.02908	4.4
77.39130	0.4
79.05479	5.3
81.03395	4.6
81.07039	7.3
81.59804	0.4
83.04974	0.8
83.08611	1.9
85.02892	6.6
85.06489	0.4
88.07613	0.5
91.03926	5.2
91.05457	3.7
92.08834	1.8
92.09371	0.5
93.07031	5.4
95.04948	2.3
95.08570	5.5
97.02870	5.6
97.10130	0.7
99.04451	1.0
101.02372	2.2
101.75463	0.4
102.09196	0.6
105.03392	3.5
105.07030	2.4
106.03702	0.7
107.08601	2.8
109.02892	1.8
109.10155	2.4
111.04420	0.7
117.06995	0.9
119.08589	1.6
121.10161	2.9
127.03910	2.6
131.08614	0.8
133.10117	0.6
135.11699	2.7
145.10149	2.0
149.06009	2.0
149.13242	0.6
163.11203	0.5
165.12735	0.8
167.90425	0.4
180.60454	0.5
185.04230	0.9
191.10608	0.6
203.24828	0.5
209.15369	1.7
212.27269	0.4
243.08389	1.8
256.26303	1.8
267.11948	0.6
267.15906	1.8
335.25851	2.2
337.27542	1.0
411.19876	2.1
413.17722	1.7
467.19229	1.8
485.19809	2.5
519.29156	8.4
529.39490	0.8
548.40265	0.7
573.48669	2.1
574.49207	1.0
689.42645	1.6
745.41144	2.3
763.42029	100.0
764.42175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
53.03925	0.9
55.01871	0.9
55.05504	4.2
57.03430	5.4
58.38302	0.7
61.02913	7.4
65.78152	0.7
67.05491	8.7
67.83730	0.9
69.03417	4.2
69.07051	3.5
71.04977	0.8
73.02899	5.3
79.05482	4.9
80.78697	0.7
81.03397	7.6
81.07032	8.5
83.08599	1.3
85.02895	6.7
91.03940	4.8
91.05470	4.6
92.08875	6.5
93.07020	8.3
95.04960	1.5
95.08584	6.7
97.02866	6.5
97.06490	1.0
97.10146	0.8
99.04448	0.9
101.02390	2.7
105.07028	1.8
107.08605	3.6
109.10144	3.2
119.08559	1.7
121.10149	3.6
131.08557	1.1
131.90996	0.8
133.10089	1.1
135.11728	1.0
141.38506	0.9
145.10144	0.8
147.11633	0.8
163.11259	1.1
189.82199	0.8
201.07712	0.7
243.08441	3.2
267.12009	3.2
267.15982	1.0
441.17206	3.1
485.20068	4.3
519.29327	9.2
550.16583	0.8
573.48444	1.8
598.77277	0.8
719.39893	1.3
745.40997	1.5
762.40741	1.0
763.42133	100.0
764.42444	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	763.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05498	3.5
57.03428	4.2
57.07063	0.9
61.02917	7.2
64.32890	0.4
65.62089	0.4
67.05492	9.4
68.05822	0.5
69.03420	4.7
69.07066	2.7
70.06586	0.7
71.04980	0.7
73.02908	4.4
77.39130	0.4
79.05479	5.3
81.03395	4.6
81.07039	7.3
81.59804	0.4
83.04974	0.8
83.08611	1.9
85.02892	6.6
85.06489	0.4
88.07613	0.5
91.03926	5.2
91.05457	3.7
92.08834	1.8
92.09371	0.5
93.07031	5.4
95.04948	2.3
95.08570	5.5
97.02870	5.6
97.10130	0.7
99.04451	1.0
101.02372	2.2
101.75463	0.4
102.09196	0.6
105.03392	3.5
105.07030	2.4
106.03702	0.7
107.08601	2.8
109.02892	1.8
109.10155	2.4
111.04420	0.7
117.06995	0.9
119.08589	1.6
121.10161	2.9
127.03910	2.6
131.08614	0.8
133.10117	0.6
135.11699	2.7
145.10149	2.0
149.06009	2.0
149.13242	0.6
163.11203	0.5
165.12735	0.8
167.90425	0.4
180.60454	0.5
185.04230	0.9
191.10608	0.6
203.24828	0.5
209.15369	1.7
212.27269	0.4
243.08389	1.8
256.26303	1.8
267.11948	0.6
267.15906	1.8
335.25851	2.2
337.27542	1.0
411.19876	2.1
413.17722	1.7
467.19229	1.8
485.19809	2.5
519.29156	8.4
529.39490	0.8
548.40265	0.7
573.48669	2.1
574.49207	1.0
689.42645	1.6
745.41144	2.3
763.42029	100.0
764.42175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05513	1.0
57.03431	2.8
61.02906	1.8
67.05491	5.3
69.03429	1.4
69.07058	1.9
73.02911	1.7
79.05477	3.2
81.03397	2.7
81.07046	4.4
83.08610	1.0
85.02906	3.5
88.07658	0.9
91.03951	1.1
91.05465	1.8
93.07037	4.1
95.04971	1.5
95.08580	1.6
97.02892	1.3
102.09205	1.0
105.03393	4.8
105.07031	0.9
107.08594	1.8
109.10151	1.3
113.64365	0.7
119.08572	0.8
121.10194	1.0
133.09935	0.8
149.06007	1.5
166.98567	0.7
186.79630	0.8
256.26352	1.4
258.85992	0.9
267.15823	1.1
337.27493	1.1
467.19135	1.7
467.34900	18.7
474.19226	0.9
501.42459	1.1
519.29425	3.4
529.39349	1.1
587.31189	0.8
745.41833	1.0
763.40729	100.0
764.40778	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	763.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15236	0.6
55.05510	1.6
57.03429	1.4
61.02923	1.6
67.05497	6.1
69.03419	1.3
69.07054	1.5
70.06569	0.7
70.95813	0.6
73.02911	1.0
73.52000	0.7
78.52039	0.8
79.05473	4.6
81.03412	3.6
81.07039	5.8
85.02894	3.5
91.03936	0.8
91.05466	1.6
92.08772	4.6
92.09399	1.5
92.26447	0.7
93.07010	4.7
95.08573	1.4
97.02880	1.6
105.03407	0.8
105.07039	1.1
107.08588	1.5
109.10149	1.1
121.10107	1.0
131.08398	0.7
149.05992	0.8
149.09549	0.7
413.17767	0.9
467.19174	1.3
485.20010	1.0
519.29211	1.4
537.35449	0.8
547.18384	1.0
548.40106	1.1
573.48206	0.9
574.49335	1.4
617.69470	0.8
763.40820	100.0
764.41016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
55.05501	3.1
57.03420	2.9
61.02911	8.2
67.05487	7.1
69.03419	4.2
69.07045	3.3
71.01304	0.4
71.04986	0.5
73.02880	4.5
79.05466	6.8
80.41205	0.4
81.03393	4.4
81.07020	7.2
83.08606	0.8
85.02888	7.7
88.02852	0.4
91.03941	3.6
91.05476	3.7
93.06998	5.4
95.04948	2.8
95.08592	6.2
95.74642	0.4
97.02855	6.8
97.06537	0.6
97.10159	0.5
99.04444	1.9
101.02349	2.5
101.08397	0.4
105.07049	1.9
107.08568	2.4
109.02853	0.6
109.10136	2.1
111.08110	0.7
117.07003	0.7
119.08543	0.9
121.10145	2.0
127.03905	2.0
130.21069	0.4
131.08537	0.9
133.10103	1.1
135.11679	1.9
145.10095	1.0
149.13211	0.6
163.11136	1.1
183.10158	0.4
243.08470	2.7
249.10822	0.6
253.75305	0.5
267.11993	1.7
335.25708	0.9
337.27206	0.9
365.69055	0.5
377.88998	0.4
441.17422	2.2
467.18814	2.0
485.19931	3.3
505.28000	0.5
519.29218	8.8
618.67310	0.6
682.51929	0.5
719.43195	0.5
745.40961	5.4
762.40613	1.7
763.42096	100.0
764.42419	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	762.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03421	0.3
59.38467	0.2
60.63177	0.2
61.02934	0.2
63.62551	0.2
64.33094	0.2
67.05468	0.2
68.23753	0.2
69.03419	1.8
69.07059	0.2
70.06582	0.2
70.53202	0.2
79.53999	0.2
79.67122	0.2
81.03395	0.5
81.07024	0.2
85.02889	2.4
91.04951	0.2
91.05458	1.3
93.07025	0.3
95.04959	0.3
95.08549	0.2
95.95967	0.2
97.02860	1.1
97.06537	0.2
99.04436	0.2
102.40833	0.2
105.06979	1.0
107.04942	1.0
107.08584	0.4
109.02877	0.3
109.10098	0.2
115.05441	1.3
115.07188	0.2
117.03348	0.4
117.06982	0.9
119.04927	0.3
121.06458	0.9
121.10199	0.3
127.03873	0.3
128.06184	2.0
129.06979	5.8
130.07755	0.3
131.04938	0.3
131.08542	9.0
133.06453	1.0
133.10112	1.0
135.08076	0.3
137.05940	0.4
137.09540	0.2
141.06960	2.8
142.07741	1.0
143.04898	0.2
143.08528	1.7
144.05647	2.8
145.02811	2.0
145.04817	0.2
145.06485	3.1
146.07191	0.4
147.04398	1.1
149.05975	1.0
153.05460	0.5
153.06992	1.0
156.05681	0.4
157.06476	3.8
158.07263	1.0
159.08026	17.1
161.05959	1.1
161.09579	3.7
167.07005	3.7
169.06378	0.9
169.07605	1.5
170.07211	2.2
171.07996	2.9
172.05164	1.1
173.05911	2.0
174.06737	1.0
175.03923	0.2
175.07538	1.7
177.05420	3.1
178.06259	0.4
181.05008	0.3
185.05879	0.4
187.05850	0.4
187.07521	11.5
188.08266	0.4
189.09061	4.9
190.06241	0.9
191.07010	0.5
192.07706	0.3
193.08400	0.2
198.06764	1.1
199.07498	1.3
201.05423	1.1
201.09125	0.3
203.07013	2.0
204.07780	6.9
204.09540	0.4
205.04915	0.3
205.08562	1.0
206.09294	0.8
207.10165	0.3
209.08026	1.1
216.07829	2.4
217.08556	0.9
218.09404	1.2
219.06514	0.3
219.10107	3.2
221.08133	0.3
221.11612	1.6
231.10121	4.2
233.11746	0.8
234.08716	0.7
237.11098	0.4
249.11165	100.0
250.11461	1.4
251.12737	0.9
267.12198	5.6
653.26050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.05504	4.5
55.60672	0.7
57.03430	2.0
61.02921	6.5
61.51948	0.8
65.59651	0.7
65.60063	0.7
67.05487	8.5
68.61967	0.8
69.03411	3.4
69.07072	1.3
71.13150	0.9
73.02901	5.1
79.05492	5.2
81.03402	4.5
81.07047	8.1
83.05003	0.9
83.08604	1.2
85.02883	8.0
91.03945	3.3
91.05460	3.5
93.07020	7.1
95.04967	1.3
95.08595	5.5
97.02321	0.9
97.02888	5.1
97.06528	1.0
99.04453	1.0
99.06365	0.8
101.02371	3.7
105.07012	1.7
106.07337	0.8
107.04934	0.8
107.08596	4.3
109.10146	1.2
121.10088	1.9
131.08594	1.0
133.10146	2.0
195.16692	0.9
243.08379	1.3
335.25900	1.2
414.77112	1.0
445.13889	0.8
471.43170	1.0
483.18347	3.3
502.32996	0.9
519.29028	6.9
545.37897	1.1
703.30487	0.9
761.40698	100.0
762.41315	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	761.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	10.8
57.05056	3.8
57.72509	4.1
67.05476	10.9
69.03418	4.7
69.07021	4.7
79.05457	8.2
81.07018	8.0
83.08575	5.8
93.06995	19.9
95.08557	23.4
95.51593	4.6
97.02932	6.3
108.15942	4.7
134.47580	4.9
139.77646	4.7
470.75415	4.9
519.29437	5.2
679.33496	5.3
755.89093	5.8
761.40814	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	761.3707
Annotation	Ipomoeassin B
Peak:m/z	Relative Intensity
57.96950	0.3
59.45920	0.2
67.05495	0.4
69.03421	0.3
69.07047	0.5
70.06029	0.3
70.58694	0.3
71.04967	0.4
81.07041	0.4
85.02943	0.3
85.06555	0.3
92.09315	0.4
95.04957	0.5
97.06535	0.3
105.07013	0.3
107.08591	0.3
108.75726	0.3
113.06015	1.5
119.08571	0.3
133.10092	0.3
167.40259	0.3
211.87154	0.3
229.53946	0.3
322.46216	0.3
374.24005	0.3
701.35089	0.6
761.37048	100.0
762.37079	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	761.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.9
56.19355	1.7
58.72647	1.6
64.24140	1.9
64.33234	2.3
67.05475	15.7
69.07043	11.6
69.21807	1.6
79.05478	10.9
81.07040	12.4
82.07384	1.9
83.08603	6.9
91.05425	2.1
93.07030	14.3
94.34107	1.7
95.08578	9.1
97.10149	2.4
105.07011	3.5
105.92798	1.9
107.08604	3.9
119.08590	2.1
133.10083	3.3
145.10133	2.0
147.11652	2.0
181.40706	2.4
184.07262	3.7
189.83954	1.9
209.11630	2.7
235.82434	1.8
239.04895	1.8
249.90196	1.9
283.15323	2.2
337.27231	3.5
422.68210	1.8
506.48557	2.3
514.72272	2.2
545.38263	3.9
546.38538	3.4
571.46997	6.8
572.47516	8.6
686.34277	2.1
761.38385	100.0
762.38513	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	761.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
58.16784	1.4
67.05502	6.8
69.07053	2.8
79.05470	3.8
81.03426	2.9
81.07048	3.4
83.08614	2.6
90.49694	1.4
90.59398	1.4
91.05466	2.1
93.07041	5.8
95.08584	2.5
98.82699	1.5
117.07045	2.0
119.08559	2.1
121.10139	1.8
265.34506	1.5
546.39093	1.8
676.11719	1.9
761.38727	100.0
762.39270	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	761.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.2
57.03426	2.2
59.10954	1.6
67.05485	6.8
67.14999	1.6
69.07038	2.6
79.05469	1.9
81.07040	8.5
83.04919	1.8
83.08589	1.7
88.43423	1.5
91.05447	1.6
93.07019	3.0
95.08594	8.6
102.90548	1.5
107.08573	1.6
109.10133	1.7
121.10155	2.4
132.78178	1.6
133.10123	1.9
162.76442	1.7
183.13284	1.6
248.71815	1.7
337.27036	2.1
545.38068	3.2
546.38708	3.2
577.02808	2.0
581.79462	1.9
761.38593	100.0
761.52173	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	761.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81041	1.3
55.05498	6.4
57.03437	1.6
57.07074	1.3
59.94085	1.2
61.18169	0.9
67.05490	15.3
68.05815	1.1
68.10882	1.3
69.07063	7.1
79.05484	7.7
81.07031	9.3
83.08625	5.1
91.05473	4.8
93.07029	8.9
95.08584	7.8
95.92484	1.3
97.10142	2.3
97.51373	1.1
105.07027	1.9
105.53048	1.2
107.04969	1.4
107.08607	2.3
109.10165	2.1
115.32912	1.2
119.08530	1.4
121.10162	4.6
131.08614	2.0
135.11720	2.4
137.91179	1.3
145.10051	1.5
184.07361	2.4
267.81833	1.2
283.15317	2.8
304.00836	1.3
545.38141	2.0
546.38416	7.4
564.39209	1.8
572.47821	4.6
761.38611	100.0
762.38782	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	761.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15553	0.3
59.48663	0.4
67.05516	0.7
69.03409	4.5
70.03754	1.0
71.05012	0.4
71.99346	0.5
85.02901	1.6
85.06560	0.4
95.04974	0.9
96.05300	0.4
113.06017	1.7
114.06335	0.5
222.28088	0.4
288.18304	0.5
329.12137	0.8
376.24915	0.6
599.31708	0.4
700.62494	0.4
701.34882	2.1
701.91626	0.4
707.89093	0.5
761.37054	100.0
762.37500	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	761.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.3
58.72618	0.4
59.04990	0.4
65.44081	0.4
66.16339	0.4
67.05486	0.6
69.03423	2.9
69.07068	0.7
70.03752	0.3
71.04970	0.4
79.05485	0.4
81.03429	0.6
81.07037	1.8
83.08566	0.6
85.02875	2.9
93.07046	0.8
95.04974	1.6
95.08606	0.9
97.02886	1.9
98.97620	0.4
99.04466	0.4
105.07007	1.5
107.08542	0.5
109.10155	0.8
113.06004	2.4
119.08567	0.5
121.10167	0.7
127.03898	0.7
137.05936	0.6
137.92438	0.3
145.10147	0.5
147.11713	0.5
149.13283	0.5
159.11777	0.5
161.13190	0.5
175.62404	0.4
337.69229	0.4
374.23959	0.5
397.34467	0.4
408.33133	0.5
523.51031	0.4
705.27179	0.4
761.37079	100.0
762.37750	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.3
57.07062	50.1
57.22467	3.0
60.08168	3.4
60.64334	2.6
69.07053	4.8
71.08604	33.8
73.06539	5.8
75.28816	2.9
83.08588	4.7
85.10170	17.3
85.62213	3.4
87.04446	15.2
87.10622	3.4
88.94503	3.3
89.05458	3.4
89.06012	100.0
92.09325	3.3
92.20704	3.3
95.08574	5.1
96.33671	3.1
97.10181	4.6
117.09100	6.1
125.00002	4.0
133.08598	39.2
134.08501	3.5
139.90474	3.7
177.11143	12.9
184.07361	12.3
464.19556	3.8
540.91711	3.5
743.55090	5.3
760.57599	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.01844	0.5
55.05507	0.4
57.03420	0.5
57.33687	0.2
61.02879	0.2
65.03924	4.9
67.05492	2.8
68.99748	0.2
69.03412	3.5
69.07049	0.5
69.17657	0.2
71.04967	1.1
78.04681	0.3
79.05474	2.8
81.03397	4.8
81.07024	1.3
82.00566	0.2
82.04183	1.8
82.40169	0.2
83.04964	1.1
85.02415	0.4
85.02888	7.4
85.03673	0.2
85.06505	0.6
86.03233	0.2
87.04469	0.4
87.60503	0.2
91.05444	1.1
93.03374	1.1
93.07032	1.0
95.04953	3.1
95.08578	1.1
97.02884	1.9
97.06502	2.2
97.10188	0.3
99.04440	0.9
105.06986	1.1
107.04936	2.7
107.08591	0.4
108.02086	0.9
109.02864	1.8
109.06501	0.3
109.10135	1.0
110.03625	2.6
111.04395	1.8
111.08032	0.3
115.05438	1.5
117.03342	0.4
117.07001	1.6
119.08589	0.3
121.06498	0.3
121.10078	0.4
123.00779	0.2
123.04401	2.7
123.11658	0.3
124.05181	1.0
125.02312	0.5
125.05958	2.7
127.03896	0.5
129.06992	0.5
131.04883	0.3
131.08549	1.3
133.06439	1.0
135.08020	0.3
135.11606	0.3
137.05933	1.8
137.09535	0.4
138.03073	1.0
139.03830	0.3
140.04665	9.4
141.06917	0.4
142.02612	1.8
142.07719	0.2
143.04927	0.3
143.08488	0.4
144.05618	0.4
145.02817	1.7
145.04890	0.3
145.06465	2.1
145.10139	0.3
147.04404	0.4
147.08089	0.4
149.05960	0.5
151.03902	0.5
152.04655	0.3
153.05444	1.4
155.07021	3.2
156.05679	0.9
159.08032	1.5
161.05968	1.1
161.13185	0.3
163.03870	0.4
167.06995	15.0
168.07362	1.0
169.07588	0.5
170.07138	0.5
171.06497	6.1
173.05957	2.7
177.05460	2.2
178.05789	0.3
179.07037	0.5
181.04919	100.0
182.05272	1.5
184.05211	0.3
187.07497	1.5
190.06183	1.6
191.07010	0.3
193.08562	0.5
199.05925	3.2
199.07387	0.3
203.07037	0.9
204.07709	0.3
205.08595	3.2
207.06526	0.4
209.08112	0.3
217.08577	2.4
219.08022	0.5
219.10092	1.2
231.10130	1.2
234.06604	0.3
235.09674	0.5
247.07350	0.5
247.09634	0.5
248.08144	0.4
249.09029	0.5
249.11159	2.4
253.08330	0.3
265.08514	0.3
276.07578	0.3
277.08585	0.9
283.09259	0.3
291.10117	0.9
293.07913	0.3
295.09485	0.3
297.11285	0.3
309.11435	0.4
315.08545	1.4
325.09033	2.3
330.10934	2.5
339.22162	0.3
340.09735	0.3
343.10138	3.1
351.12042	0.4
353.10306	0.4
369.13306	0.3
371.14774	0.3
374.23914	0.2
383.14764	3.0
385.16364	1.2
401.15765	1.5
405.68549	0.3
538.36340	0.3
780.13751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
54.58232	0.5
55.01857	1.0
55.05492	4.0
57.03435	3.8
57.07069	1.2
61.02903	7.9
62.96247	0.4
67.05486	4.4
67.13318	0.5
69.03020	0.6
69.03411	16.9
69.07053	9.3
71.04974	2.3
71.08643	0.6
73.02895	3.3
79.05481	3.8
81.03394	7.0
81.07040	13.0
83.08591	4.0
85.02886	100.0
85.06522	0.6
86.03214	0.6
87.04443	2.1
89.53178	0.5
91.03902	3.6
91.05449	3.8
93.07011	6.5
95.04921	1.1
95.08577	11.9
97.02867	24.7
97.06504	2.3
97.10147	1.1
99.04436	4.3
103.03947	0.7
103.08405	0.5
105.03345	0.5
105.07004	9.8
107.08580	9.5
109.02864	8.6
109.10128	11.1
111.11732	1.2
113.05951	1.0
115.03951	0.8
115.87241	0.5
117.06988	1.1
119.08549	7.2
121.10107	7.0
123.11680	2.7
125.81606	0.5
127.03890	20.7
129.06967	1.0
131.08528	5.3
133.10106	9.9
135.11697	3.7
137.13200	1.2
143.08554	2.8
145.04930	29.7
145.10115	5.6
147.11676	7.5
149.13200	3.6
157.10112	3.5
159.11653	9.2
161.13213	8.7
163.05977	11.3
163.14803	2.2
167.77301	0.5
169.10132	2.3
171.11664	2.3
173.09526	0.6
173.13194	4.1
175.14774	2.9
177.12758	0.6
177.16301	0.7
183.11703	0.9
185.13254	2.7
187.14764	2.5
189.16341	0.9
191.17914	1.1
197.13187	2.7
199.14719	4.7
201.16420	3.0
203.17990	1.2
211.14772	1.1
213.16345	5.8
215.17894	2.1
217.15767	0.6
219.01868	0.9
219.17378	0.5
221.05072	2.1
225.16232	1.2
227.17976	2.3
229.15952	1.1
231.17357	0.8
235.84674	0.6
237.02864	2.2
239.18007	0.8
241.19363	0.8
253.19441	1.0
255.21017	3.3
257.22455	0.6
259.20563	0.8
269.22797	0.7
273.22092	1.0
279.03735	1.1
283.24063	0.7
289.09000	0.9
296.91153	0.5
297.07990	0.5
325.07654	1.1
325.11227	13.7
353.20911	0.8
365.31927	29.1
371.22141	1.2
383.32999	42.4
401.33899	5.4
527.37201	0.5
545.38306	3.0
701.33527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
53.74751	0.7
55.01866	4.6
55.05503	22.7
57.03428	27.6
57.07049	3.1
57.86137	0.7
61.02905	1.5
65.03929	1.4
65.70454	0.8
67.05491	73.0
69.03416	3.7
69.07058	17.9
71.04985	4.2
78.04715	0.9
78.51180	0.8
78.94331	0.8
79.05474	53.2
80.22088	0.9
81.03398	100.0
81.07036	66.9
82.35609	0.7
83.04968	6.2
83.08601	20.3
85.02909	1.9
85.06516	1.4
91.04889	1.5
91.05459	39.7
93.07018	52.4
95.04433	0.7
95.04946	27.2
95.08584	46.3
97.02856	3.4
97.06521	5.9
97.10149	7.9
105.07014	29.9
107.04919	9.4
107.08564	29.0
109.06510	5.5
109.10141	20.5
111.04427	1.5
111.08089	6.8
115.05405	0.9
116.06172	1.0
117.07016	8.4
119.05003	1.0
119.08559	28.7
121.06502	4.1
121.10119	23.6
123.08061	4.0
123.11678	6.0
125.09645	4.2
129.06992	11.8
131.08545	21.4
132.85985	0.9
133.06490	4.3
133.10091	13.8
135.11655	10.8
137.09598	3.7
142.07794	1.9
143.08556	2.0
145.06427	0.9
145.10089	10.3
147.04352	1.3
147.08034	3.5
147.11655	16.9
149.09605	7.1
149.13252	7.4
155.08585	1.3
157.10130	14.0
159.11639	7.0
161.13210	6.2
163.11179	1.6
163.14784	2.0
165.12798	1.0
171.11670	0.9
173.13245	3.9
175.11147	6.5
175.14777	1.6
183.11765	0.9
185.13284	1.5
187.14842	3.5
189.11192	1.1
189.16299	1.0
193.12221	19.7
196.23636	0.8
198.56924	0.9
199.14647	1.1
227.12738	5.2
235.13147	1.2
243.21059	3.8
261.22064	11.1
267.12979	1.9
267.15851	53.8
285.22153	1.1
299.23532	1.0
301.25131	3.7
317.24570	1.3
335.25735	52.6
435.27167	1.2
435.32571	3.8
449.28986	1.5
453.33435	4.9
457.57925	0.9
461.51004	1.2
471.34598	3.1
494.56247	1.1
527.29590	1.9
527.37201	40.2
545.30280	1.6
545.38300	42.4
563.39630	3.9
569.38055	4.2
635.39215	1.1
733.40179	1.1
760.42145	2.1
764.45367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01848	1.1
57.03417	0.7
60.04511	0.5
61.02901	1.6
69.03412	2.9
73.02879	0.5
73.49130	0.3
75.02309	0.2
78.04678	0.4
79.05468	4.9
81.02923	0.5
81.03393	14.2
81.07026	0.4
85.02884	11.5
91.03927	0.4
91.05463	3.0
92.09020	0.5
95.04934	2.0
97.02850	4.3
103.05435	2.4
105.07000	1.8
106.04168	0.5
107.04935	11.9
109.02847	0.5
115.05430	7.4
117.03325	0.3
117.06989	22.8
118.07285	0.3
119.04884	0.5
119.08567	0.6
121.06488	0.4
123.04414	3.1
124.05189	2.3
125.05939	1.2
127.03872	1.9
128.06172	1.4
129.06966	4.5
130.04163	0.6
131.04893	2.0
131.08543	5.0
132.05647	0.4
133.06464	2.0
137.05952	0.7
140.04652	0.5
141.06941	2.3
143.04904	1.0
144.05640	3.6
144.06482	0.3
145.06456	62.0
146.06790	0.4
147.04382	0.6
147.08005	1.8
149.05934	0.4
152.04602	1.5
153.05470	0.6
155.04855	0.7
155.05998	7.0
155.07143	0.5
156.05664	9.2
157.06439	3.2
158.07195	0.7
159.07999	8.3
160.05171	1.3
161.05931	4.0
162.07594	0.7
163.03888	1.1
167.06990	57.8
169.06393	0.5
172.05167	0.7
173.05934	94.9
174.06404	1.4
175.03944	0.5
175.07509	2.9
176.04694	0.4
177.05458	1.3
180.08662	2.1
180.43610	0.3
181.04871	1.5
181.08539	0.3
183.06482	0.6
184.05078	2.8
185.05829	0.3
186.06763	0.7
187.07501	8.2
190.06200	58.2
191.06966	2.9
193.08531	2.7
195.06483	0.6
197.06042	0.3
202.06209	6.5
202.07828	0.4
203.06975	8.5
203.08691	0.5
204.07823	1.4
205.08554	100.0
206.08858	0.6
207.06422	1.3
207.10123	0.6
208.05171	0.4
208.08728	0.4
210.06696	0.3
211.07518	0.5
215.06967	1.2
217.08546	58.6
218.09067	1.6
219.07959	2.3
219.10106	4.3
220.08754	0.7
223.09573	3.1
229.32515	0.4
231.07947	1.5
232.06853	0.3
232.08969	0.6
233.09592	0.6
235.09567	27.7
236.08179	0.4
245.09421	0.7
247.07362	2.2
247.09587	8.2
248.08229	2.1
249.05374	0.3
251.10526	0.3
253.08133	0.4
254.05605	0.3
255.06360	0.5
259.07364	0.6
262.09891	1.1
263.06909	0.6
263.10602	1.9
264.07755	2.1
265.10632	51.9
266.11087	0.6
269.07956	2.9
271.09506	2.5
275.06958	1.4
276.07730	1.5
277.08496	1.2
279.10068	2.0
281.08005	0.5
282.08713	1.4
284.06781	0.3
290.09219	0.7
291.10062	2.6
292.07184	0.4
293.07880	2.1
299.09006	1.5
301.06955	0.4
304.07291	0.4
305.07828	0.4
307.09512	1.8
308.10336	1.3
309.11020	0.4
315.08615	6.8
316.09158	0.4
319.09683	1.3
321.07568	0.4
323.12689	2.1
325.10654	1.1
330.10880	8.1
331.11667	3.2
336.09766	0.6
337.10510	0.7
339.12189	1.4
343.11710	0.6
351.12180	3.5
353.09970	0.4
356.12851	0.4
368.12338	1.5
369.13251	0.5
371.14792	2.4
383.14792	11.1
401.15836	19.3
405.23438	0.3
444.16034	0.3
535.75452	0.3
542.22253	0.3
749.47101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19519	0.2
55.01836	0.3
55.05500	0.3
57.03403	0.3
57.06156	0.2
59.04978	0.2
61.17266	0.2
64.67771	0.2
65.03867	0.2
67.05487	1.7
69.03408	1.1
69.07014	0.3
71.04959	0.3
79.05475	2.1
81.07037	2.6
83.04963	4.2
85.02890	0.3
85.06513	1.6
91.05460	2.5
92.09078	0.5
93.07018	2.4
95.04938	1.2
95.08572	2.0
96.99531	0.2
97.06502	10.7
98.37424	0.2
105.07011	5.0
107.04926	0.8
107.08578	4.5
109.06502	2.4
109.10133	0.5
111.08060	1.0
112.22887	0.2
113.05986	2.3
114.06315	0.3
117.06977	1.4
119.08560	4.0
121.06467	1.7
121.10105	0.8
123.08043	4.4
125.05973	0.3
125.71574	0.2
128.06221	1.7
129.06992	1.5
130.07724	0.2
131.08531	6.9
133.06488	1.1
133.10123	2.7
135.08046	2.6
135.11661	0.4
137.09584	1.2
141.06970	0.3
142.07751	0.4
143.08533	7.7
145.06430	1.0
145.08566	0.2
145.09036	0.3
145.10103	4.1
147.08028	6.0
147.11661	0.5
149.09589	5.0
151.07570	0.5
153.06975	0.2
154.07751	0.3
155.08501	2.8
157.10100	3.6
158.07240	0.5
159.07997	2.4
159.11665	2.1
161.09593	6.4
162.10422	0.8
163.11176	1.5
166.07666	0.3
167.08539	0.8
169.10115	2.3
171.07993	2.9
171.11646	1.1
173.09579	18.1
173.13252	0.4
174.10352	0.3
175.11108	3.1
177.12683	1.3
179.08571	0.5
180.09239	0.3
181.10069	2.0
183.11688	1.6
185.09615	1.6
185.13171	0.8
187.11169	3.5
189.09045	0.3
191.10619	3.3
192.09305	1.0
193.10011	1.9
194.10951	0.8
195.11703	1.0
197.09584	1.3
197.13142	0.9
199.11119	2.0
201.12704	0.5
203.08295	0.3
205.10181	0.3
205.12230	1.0
206.10803	0.4
207.11630	2.8
208.12419	1.0
209.09625	0.2
209.13281	3.1
211.11099	1.4
212.11676	0.3
213.12665	1.5
218.10861	0.5
219.11630	0.4
221.13258	1.5
223.11234	0.4
223.14748	1.4
223.88663	0.2
225.12732	1.3
227.14331	0.4
229.10158	0.4
233.13223	1.8
234.13960	0.3
235.11116	0.5
235.14856	0.4
236.12041	0.4
237.12721	0.3
239.14325	0.9
244.12405	0.3
247.14792	1.0
248.15459	0.4
249.12631	0.3
249.16339	2.7
251.14241	5.8
265.15863	2.4
266.16476	1.7
267.17361	5.1
269.15433	0.3
276.14923	0.2
281.18692	0.3
285.18225	0.3
291.17371	3.2
309.15674	0.3
309.18405	14.3
327.19470	100.0
328.19839	1.5
331.81491	0.2
337.21423	0.3
355.22534	0.4
373.23938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
54.81899	0.8
55.05491	1.7
56.29622	1.0
57.03428	2.0
61.02919	7.0
62.94039	1.1
67.05490	7.5
69.03416	4.5
69.07053	1.3
73.02903	2.4
79.05484	6.1
81.03412	1.4
81.07051	6.4
82.85369	1.0
83.04958	1.1
85.02911	6.3
91.03953	3.8
91.05463	2.0
93.07036	4.8
93.28788	1.2
95.04958	1.6
95.08610	2.0
97.02894	5.2
99.91723	1.1
101.02438	1.7
104.76699	1.0
107.08575	1.4
109.10168	4.2
127.03904	1.4
133.10196	1.1
169.43123	1.0
184.07355	1.6
243.08340	1.3
270.90765	1.0
277.02661	1.2
342.40497	1.1
378.37085	0.9
412.23950	1.0
481.20477	6.0
519.29285	4.8
564.20471	1.2
669.41583	4.0
759.42755	100.0
760.42993	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.9
53.03930	11.8
55.01855	6.9
55.05503	66.9
55.98999	3.3
57.03418	29.7
57.07062	3.4
61.02904	3.9
62.85778	3.2
65.03931	4.0
67.05491	99.0
69.07064	29.8
71.04974	5.1
73.02904	4.9
79.05471	100.0
79.05901	5.7
81.03391	40.9
81.07040	91.3
83.04973	26.1
83.08608	15.7
85.02879	13.8
86.09706	15.6
91.05469	55.0
92.09141	12.8
93.07021	88.7
95.04945	19.4
95.08585	70.0
97.02865	12.2
97.06505	12.7
97.10149	16.7
99.04474	3.8
105.07021	31.3
107.04912	23.6
107.08568	47.6
109.06471	5.3
109.10153	19.7
111.04445	5.7
111.08047	7.0
117.07001	21.4
119.08557	34.1
121.06506	3.7
121.10121	29.8
125.00012	12.9
125.09597	13.0
125.64079	3.3
131.08521	15.5
133.10152	14.1
135.11687	22.3
137.09560	3.3
143.08569	3.9
145.10106	21.9
147.07959	5.8
147.11668	11.9
149.13275	3.8
153.12764	5.5
159.11729	4.1
161.13242	4.4
163.11134	21.8
173.09555	3.5
181.12201	5.8
184.07304	35.9
191.10609	4.2
199.13098	3.5
227.12779	17.1
267.15857	11.8
283.15381	7.7
335.25803	42.7
543.36841	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
54.33446	2.4
55.01868	3.6
55.05503	24.3
57.03415	6.6
57.07074	4.0
57.58401	3.1
59.05011	2.7
63.63930	2.7
67.05490	82.7
69.03412	3.1
69.07047	6.9
71.04978	19.7
79.05464	31.1
81.07036	100.0
83.08598	5.1
86.09697	24.0
91.05452	24.3
92.08833	12.4
92.09354	3.4
93.07011	46.3
95.08585	37.0
97.06512	6.9
97.85074	3.2
103.11359	3.0
105.07016	17.7
107.08581	25.1
109.10134	19.9
110.38014	2.9
117.06990	4.8
119.08547	5.5
121.10109	14.0
123.11681	19.4
124.99988	14.2
127.99194	2.9
131.08487	5.6
133.10080	18.2
135.11685	7.1
149.13274	5.0
159.11700	13.2
183.50842	3.7
183.76338	3.3
184.07317	57.6
296.25702	3.3
301.20020	5.7
335.25754	16.1
503.37146	58.5
507.51932	3.3
561.41345	79.1
602.75507	3.8
698.31256	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.6
53.03946	3.1
55.01870	4.5
55.05508	33.4
57.03429	32.9
57.07077	2.9
61.02915	4.7
61.53940	1.8
62.01559	2.2
65.03910	2.6
67.05495	100.0
69.03414	2.7
69.07048	32.4
71.01331	2.3
71.04978	4.7
73.02914	2.3
75.11685	1.8
79.05481	78.7
79.05948	2.6
81.03417	13.1
81.07039	86.8
81.38386	1.9
83.04967	16.5
83.08580	16.7
85.02891	8.6
85.06537	2.6
88.95233	2.2
91.03923	2.6
91.05463	56.8
93.07025	88.4
95.04932	23.0
95.08589	57.8
97.02885	17.6
97.06516	13.3
97.10145	4.6
105.07013	40.9
107.04943	12.1
107.08590	44.5
109.06472	3.7
109.10143	28.1
111.04462	14.3
111.08052	8.4
117.06999	25.9
119.08558	31.4
121.06517	2.6
121.10126	32.6
123.08064	3.6
123.11691	3.8
129.06995	12.1
131.08571	27.7
133.06535	2.1
133.10109	21.0
135.08101	3.5
135.11668	29.1
137.09636	2.8
143.08582	3.0
145.06516	3.0
145.10104	28.5
147.08080	8.6
147.11691	11.3
149.09657	3.8
149.13286	3.3
151.11115	3.0
153.12679	3.8
155.08560	3.9
157.10100	8.0
159.11659	10.4
161.09633	2.8
161.13243	4.0
163.11179	20.0
169.10069	3.3
173.09583	10.4
173.13181	3.2
175.14914	2.4
181.12251	4.1
187.14851	3.1
191.10686	4.1
209.11671	23.0
227.12787	4.0
229.91068	2.2
235.59840	2.1
261.22147	9.0
283.15372	42.3
301.16302	18.9
315.23126	3.2
335.25723	63.2
433.30817	4.1
451.31921	4.3
469.33029	9.6
483.66925	2.2
525.35504	18.5
529.78522	2.5
543.28058	2.7
543.36664	83.5
561.37689	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.5
53.03936	2.1
55.01853	6.5
55.05507	30.9
57.03212	1.4
57.03430	20.4
57.07060	2.9
57.15475	1.1
59.04976	1.3
61.02902	8.0
65.03919	3.0
67.05489	95.0
69.03412	5.7
69.07050	32.1
71.04964	5.1
73.02899	1.2
79.05470	65.5
81.03398	7.5
81.07039	82.6
81.07526	2.6
83.04961	14.6
83.08597	18.1
85.02895	9.4
85.06512	5.7
86.09703	2.0
91.05460	55.5
92.08884	3.7
93.07021	75.4
95.04942	21.2
95.08576	53.8
97.02869	11.4
97.06515	13.1
97.10143	8.5
99.04409	5.6
99.08031	1.3
103.05443	1.5
105.04534	1.5
105.07018	49.3
107.04948	13.6
107.08575	48.0
109.06514	10.6
109.10136	28.8
111.04418	15.2
111.08067	7.2
113.09552	1.3
115.05428	1.4
117.06998	22.9
119.08562	38.2
121.06476	5.6
121.10112	30.1
123.08038	6.2
123.11670	6.8
125.05989	2.2
125.09615	2.4
129.06996	8.8
130.07813	1.8
131.04935	1.7
131.08537	29.8
133.06439	3.0
133.10120	33.4
135.08028	5.2
135.11668	28.5
137.09578	2.9
139.11116	1.4
141.06967	1.8
142.07776	1.9
143.08527	12.1
145.06497	6.0
145.10104	28.9
147.08052	5.9
147.11652	16.7
148.34531	1.3
149.08482	1.4
149.09573	8.4
149.13264	2.8
151.11191	2.1
155.08492	9.8
157.10095	12.2
159.08051	2.5
159.11691	12.5
161.09564	6.5
161.13234	7.7
163.11133	14.4
165.09152	1.6
169.10121	7.7
171.11647	11.2
173.09569	11.6
173.13206	6.5
175.11101	2.7
175.14897	1.8
177.12785	1.7
178.76875	1.5
181.12126	1.8
183.11644	6.6
184.07289	6.7
185.13312	5.8
187.11118	2.1
187.14767	2.6
191.10678	6.9
197.13335	1.9
197.96790	1.3
199.14856	2.5
201.16405	1.6
207.11650	1.6
209.11644	16.0
213.12750	1.9
216.47977	1.6
223.14902	1.7
227.16222	1.7
229.14200	3.1
235.35147	1.4
243.21002	2.3
255.15869	5.6
259.20709	1.6
261.22128	7.4
273.22226	4.6
283.12241	1.8
283.15338	45.7
288.36191	1.6
289.21564	2.1
299.19968	2.3
301.16263	2.0
315.23083	5.5
317.21088	1.8
335.25754	26.5
357.48764	1.3
363.25266	2.0
364.34512	1.3
391.24527	1.5
410.90240	1.3
420.00143	1.6
433.30484	2.5
451.31961	11.3
469.33063	10.7
487.33444	4.7
525.35791	20.8
526.13690	1.4
538.98444	1.5
543.36713	100.0
544.36713	2.0
561.37677	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.81432	1.3
55.01867	3.1
55.05505	35.4
55.10502	1.3
57.03433	14.8
57.07056	1.4
61.02915	7.4
62.06673	1.4
64.11205	1.4
65.03922	2.4
67.05494	81.4
69.03430	5.2
69.07056	27.6
71.04979	3.6
73.02888	2.1
79.05475	60.3
79.37598	1.2
81.03406	6.5
81.07038	69.1
83.04964	12.8
83.08614	16.4
85.02884	8.4
85.06519	3.2
89.00889	1.4
91.05460	54.9
93.07027	69.0
95.04950	13.7
95.08583	50.7
95.09201	2.0
97.02852	11.1
97.06497	13.7
97.10154	6.3
99.04447	2.4
101.71387	1.7
103.05472	2.2
105.07015	40.5
105.09523	1.5
106.01479	1.6
107.04956	7.5
107.08585	43.4
109.06512	7.7
109.10146	31.2
111.04452	10.0
111.08054	3.3
113.06013	1.7
114.91066	1.5
115.05441	1.6
117.06994	23.8
119.08566	30.4
121.06511	5.8
121.10133	22.8
123.08029	7.2
123.11699	6.4
125.05936	1.7
125.09602	5.8
127.03945	1.9
128.06186	1.6
129.06973	11.9
129.52153	1.3
130.07822	1.8
131.08543	25.0
133.06467	3.7
133.10110	30.6
135.08051	7.7
135.11665	25.9
137.05972	2.0
137.09558	2.4
141.06894	1.5
143.08549	9.1
145.06421	3.1
145.10121	30.5
147.08044	8.8
147.11684	9.7
149.09615	12.0
149.13258	3.6
151.11177	5.9
155.08556	7.7
157.10121	9.0
159.08107	2.7
159.11652	15.7
161.09636	3.6
161.13211	7.0
163.11168	9.1
169.10088	5.6
171.11726	6.7
173.09607	3.3
173.11862	1.6
173.13266	7.5
175.11145	3.6
175.14755	1.9
183.11705	8.6
185.13242	7.3
187.14877	2.2
191.10638	7.0
199.14812	2.5
209.11688	15.4
209.13339	1.4
227.16295	5.8
229.14307	3.2
243.20703	1.5
255.15813	5.3
259.20453	2.4
261.22137	3.4
273.22086	2.3
283.15378	38.5
283.20389	1.9
299.19946	1.9
315.23138	7.3
317.21133	1.8
333.23981	2.1
335.25848	10.9
373.23541	2.9
433.30603	5.9
451.31909	10.0
469.32980	8.3
487.34204	2.8
515.37476	1.7
525.35730	24.8
543.36719	100.0
561.37836	39.3
727.25378	1.6
764.89929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	2.8
53.03926	7.5
53.44750	0.9
55.01864	14.0
55.05503	42.7
57.03173	1.4
57.03426	26.6
57.07056	4.7
57.28485	1.0
59.04967	1.8
61.02902	6.0
61.63714	1.0
63.36349	1.1
65.03915	2.1
67.05489	100.0
68.05830	2.2
69.03402	6.8
69.07053	34.5
71.01332	2.0
71.04955	6.4
73.02872	2.2
79.05473	85.0
80.05801	2.2
81.03395	23.5
81.07035	98.1
82.07358	5.9
83.01305	2.7
83.04957	20.9
83.08183	1.2
83.08614	19.8
85.02899	11.1
85.06519	2.4
85.07893	1.1
86.09689	6.1
91.03909	2.3
91.05464	46.1
92.05755	2.4
93.07020	97.9
94.07329	4.1
95.04946	16.1
95.08582	67.9
96.08906	1.9
97.02865	16.3
97.06519	12.2
97.10141	5.6
99.00784	6.6
99.04411	4.4
105.07010	33.9
106.07310	1.7
107.04933	16.0
107.07858	2.3
107.08576	56.0
108.08923	2.5
109.02856	4.5
109.06503	10.4
109.10140	24.5
111.04428	13.3
111.08051	6.3
111.11739	1.6
115.03913	1.2
117.06991	19.3
119.08553	30.8
120.92136	1.2
121.06470	5.7
121.10120	42.2
123.04353	1.6
123.08025	8.6
123.11654	6.8
124.99995	5.0
125.09646	1.9
129.07007	2.6
131.08553	21.1
132.13379	1.2
133.10109	26.7
134.10423	4.6
135.08017	2.3
135.11667	35.2
136.11978	1.3
137.09592	2.6
139.07564	1.9
139.11127	1.8
143.08583	2.7
144.08992	1.6
145.10107	25.7
147.08005	6.2
147.11687	8.9
149.09592	2.2
149.13220	6.4
151.11253	3.5
153.12718	11.2
153.13771	1.3
155.08501	4.5
157.10049	2.4
159.11624	9.8
161.09581	4.7
161.13225	5.9
162.09891	1.2
163.11162	29.7
163.14742	5.8
171.11658	1.8
173.09592	7.1
173.13222	6.4
181.12186	8.1
183.11696	1.8
184.07301	11.5
191.10619	7.5
209.11665	27.2
225.11258	1.7
227.12752	11.4
243.21002	1.7
245.13776	1.5
261.22098	14.0
262.22211	1.8
265.14395	2.0
283.15335	26.0
299.14780	12.8
300.15173	9.0
301.16385	38.1
317.24597	2.1
335.25723	81.1
336.26117	16.1
337.26373	7.2
348.67154	1.2
433.30792	2.8
451.32053	5.1
469.32510	1.6
525.35547	8.8
543.36670	53.8
559.36017	1.4
560.36407	8.6
561.37646	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
53.33571	1.0
54.82096	1.2
55.01860	1.6
55.05516	8.7
55.05713	1.2
56.92828	0.9
57.03415	7.3
57.07060	1.2
59.66036	1.2
61.02914	9.8
65.03934	1.1
67.05495	14.5
69.03416	30.2
69.07053	37.6
71.04950	2.2
73.02886	2.4
79.05470	13.2
81.03403	10.7
81.07039	69.9
82.03836	1.2
83.01385	1.4
83.08592	9.5
83.23206	1.2
85.02890	100.0
87.04458	4.5
91.03948	1.7
91.05461	10.1
93.07021	19.7
95.04947	1.5
95.08589	23.5
97.02866	31.0
97.10149	2.8
99.04438	5.1
99.08074	11.8
105.07003	22.0
107.08577	45.0
109.02879	11.2
109.06490	1.7
109.10137	22.1
113.05962	2.1
115.03923	1.2
117.07001	2.2
119.08562	16.1
121.06470	1.5
121.10114	17.6
123.11675	4.9
125.09605	52.8
127.03899	21.5
127.11175	5.2
131.08551	9.6
133.10127	23.1
135.11687	20.3
143.08636	2.0
143.10651	29.5
145.04936	27.0
145.10101	22.5
147.11664	34.7
149.13251	12.0
153.12709	1.6
157.10115	8.2
159.11661	27.8
161.13213	26.5
163.05962	7.4
163.14772	2.1
169.10132	2.0
171.11626	7.0
173.13231	18.9
175.14771	13.3
177.16211	1.3
183.11679	1.9
185.13261	4.7
187.14743	5.5
189.16280	2.3
197.13182	1.9
199.14766	7.4
201.16345	2.9
211.14865	1.4
213.16403	4.8
213.71063	1.4
215.17886	2.0
218.02477	1.2
223.14575	1.5
225.16309	1.6
227.17885	1.8
251.17891	1.5
253.19450	9.9
255.21028	52.1
257.22577	32.5
271.20404	4.9
293.22546	1.5
307.24084	7.2
363.30389	16.6
381.31412	52.7
399.32550	22.2
561.37274	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	758.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.48870	0.7
55.01858	1.9
55.05496	5.6
56.97125	0.8
57.03426	8.2
57.90595	0.8
61.02917	9.8
67.05501	7.7
68.50544	1.1
69.03419	22.0
69.07043	16.6
71.04985	1.4
73.02888	5.6
79.05462	6.8
81.03406	9.4
81.07038	40.8
83.08590	3.4
85.02888	100.0
87.04424	1.7
91.03915	4.6
91.05453	4.2
91.71893	0.8
92.09004	5.6
93.07030	9.5
95.08578	12.3
97.02879	26.6
97.10119	1.1
99.04436	5.7
99.08056	5.0
105.07025	11.1
107.08575	23.0
109.02876	9.6
109.06493	1.2
109.10146	13.4
111.11694	1.1
111.55668	1.1
117.07007	2.0
119.08562	9.2
121.10102	8.2
123.11655	1.5
125.09611	27.2
127.03885	20.6
127.11166	2.3
129.07034	1.0
131.08553	6.3
133.10100	8.7
135.11705	8.1
135.12518	1.0
143.08572	1.3
143.10686	13.9
145.04945	25.6
145.10118	11.5
147.11676	21.6
149.13235	7.7
157.10100	4.2
159.11662	13.9
161.13254	10.1
163.05994	9.6
171.11635	1.5
173.13266	8.2
175.14774	6.2
185.13177	1.9
187.14816	1.8
191.89914	1.0
196.38298	1.1
197.13313	1.2
199.14789	3.8
201.16367	1.0
211.14886	1.4
213.16347	1.8
215.18050	1.6
223.41101	1.0
227.17963	1.3
253.19476	5.3
255.21024	23.2
257.22543	16.0
271.20578	3.6
283.24072	1.4
307.24054	3.8
325.11270	2.2
363.30307	8.4
381.31381	25.0
399.32590	18.0
605.06641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01867	1.2
55.05266	0.6
55.05508	9.7
57.03429	12.3
59.04978	0.9
59.79766	0.5
61.02917	4.6
67.05482	5.4
69.03413	14.3
69.07050	1.3
71.04975	36.9
73.02892	5.0
75.04456	6.9
79.05469	6.6
81.03407	6.5
81.07036	7.4
83.04963	54.4
83.08595	2.5
83.86788	0.5
85.02886	100.0
85.06525	0.8
87.04444	2.6
91.03909	0.8
91.05447	7.0
93.07000	8.8
95.04938	3.1
95.08579	7.0
97.02875	14.0
99.04415	3.4
101.05997	1.0
105.03363	0.7
105.07019	9.2
107.08570	8.4
109.02878	4.7
109.10149	4.9
111.04426	22.7
113.05974	1.1
115.03930	0.6
117.06959	5.3
119.08542	8.5
121.06456	1.2
121.10126	4.6
123.04430	1.2
123.08011	0.8
125.02334	0.6
125.05943	3.3
127.03895	9.0
129.05457	21.2
129.06979	3.6
131.08549	7.1
133.06453	1.0
133.10112	7.7
135.11685	3.8
137.05998	0.9
141.06981	0.8
142.07745	0.9
143.08513	7.5
145.02844	2.3
145.04919	5.3
145.06450	2.6
145.10094	6.0
147.06496	6.5
147.07977	1.3
147.11670	6.9
149.05960	1.2
149.13240	2.3
153.05478	1.2
155.08519	3.2
157.10091	5.5
159.07983	0.9
159.11621	7.9
161.13222	6.5
163.05943	0.6
163.07501	1.0
165.05388	1.0
165.08922	0.7
166.07928	0.6
167.07034	8.2
167.08432	1.2
168.09329	1.2
169.10094	3.1
171.07962	1.2
171.11621	4.5
173.05920	1.2
173.09602	0.7
173.13258	2.3
175.07530	5.6
177.05440	3.4
177.09076	1.3
181.04945	3.4
181.10033	3.9
183.11577	6.1
185.09645	0.8
185.13242	3.5
187.07491	0.7
187.11153	0.6
187.14816	1.1
189.09065	2.7
189.16299	1.0
192.85216	0.6
195.11702	3.0
197.13194	2.4
199.11104	0.8
199.14735	1.3
201.09119	0.9
201.12662	0.9
201.16406	1.3
203.10689	0.6
205.08551	0.8
209.09657	2.3
209.13199	2.9
211.11176	1.3
211.14815	2.8
213.12814	0.7
213.16383	0.8
215.10817	0.6
215.17926	2.7
217.12218	0.7
223.14757	0.6
227.10658	5.8
229.12215	5.8
237.07521	1.2
241.12187	3.4
243.13742	1.2
249.11197	0.9
251.17950	1.0
253.19308	1.4
255.08533	4.3
255.13805	2.4
273.09607	3.2
277.19504	0.8
281.15329	0.9
291.20883	4.6
295.20352	0.7
309.22058	2.6
319.20493	4.0
337.21536	38.1
338.21515	0.8
355.22592	42.1
373.23651	51.5
374.24179	0.8
415.24689	3.5
433.26031	8.8
501.28128	1.3
519.29681	6.2
574.49823	0.6
576.76190	0.7
626.51117	0.6
636.82605	0.7
717.78479	0.6
759.24268	2.3
784.84186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47139	1.7
54.81842	2.2
57.07060	1.9
61.02926	4.0
67.05484	3.8
69.03427	3.7
69.07057	3.8
69.85663	1.6
71.08594	1.9
73.02892	1.8
75.46053	2.0
77.97954	1.7
79.05479	3.4
81.03400	2.3
81.07024	8.5
85.02898	2.7
91.05468	2.8
93.07032	2.9
95.08622	2.8
97.02909	2.9
107.08575	2.2
124.38311	1.9
133.72444	1.8
151.46759	2.0
187.37143	2.2
193.91158	2.0
199.71014	1.8
222.09792	2.0
255.90164	2.0
277.81677	2.2
497.31128	4.5
501.23199	11.0
700.73492	2.5
757.46893	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	757.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47139	1.7
54.81842	2.2
57.07060	1.9
61.02926	4.0
67.05484	3.8
69.03427	3.7
69.07057	3.8
69.85663	1.6
71.08594	1.9
73.02892	1.8
75.46053	2.0
77.97954	1.7
79.05479	3.4
81.03400	2.3
81.07024	8.5
85.02898	2.7
91.05468	2.8
93.07032	2.9
95.08622	2.8
97.02909	2.9
107.08575	2.2
124.38311	1.9
133.72444	1.8
151.46759	2.0
187.37143	2.2
193.91158	2.0
199.71014	1.8
222.09792	2.0
255.90164	2.0
277.81677	2.2
497.31128	4.5
501.23199	11.0
700.73492	2.5
757.46893	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	758.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01855	1.8
55.05506	12.8
57.03428	32.5
61.02911	5.2
67.05496	7.0
68.50262	1.2
69.03412	16.2
69.07048	5.1
71.04977	16.3
73.02901	28.3
73.06561	1.5
75.04462	100.0
79.05476	13.1
81.03398	12.4
81.07032	17.5
83.01341	1.4
83.04966	29.9
83.08622	5.6
85.02888	84.8
85.06542	1.8
85.83118	1.3
87.04454	7.4
91.05455	14.1
93.07011	15.8
95.04948	6.2
95.08580	11.4
97.02863	18.4
97.06509	1.7
98.97606	2.3
99.04454	5.3
101.06007	6.1
105.07019	18.2
107.04958	2.5
107.08553	13.7
108.17200	1.2
109.02866	8.0
109.10125	9.1
111.04417	20.8
113.06037	1.8
115.76353	1.6
117.03378	2.7
117.07019	6.7
119.08533	12.2
121.06454	2.6
121.10119	7.1
123.04376	1.8
123.08044	1.5
125.40099	1.2
127.03880	12.6
129.05482	15.4
129.06985	6.0
131.04881	1.3
131.08504	11.7
133.06473	1.7
133.10077	11.5
135.08028	1.5
135.11679	7.7
137.05966	3.1
141.06920	1.8
143.08508	10.4
145.02847	8.4
145.04944	13.1
145.06461	1.2
145.10123	12.6
147.04399	2.4
147.06493	6.6
147.07970	1.7
147.11652	15.4
149.06044	1.9
149.09590	1.5
149.13268	6.8
155.08546	6.2
157.06480	1.6
157.10097	10.9
159.08099	2.0
159.11713	15.7
161.13263	12.6
163.06088	2.6
163.07448	2.7
165.05449	1.3
165.06927	1.7
165.09203	1.7
167.07033	5.3
169.10118	5.9
171.11674	5.4
173.13280	4.9
175.07542	11.1
175.14890	1.3
177.05399	13.8
177.09090	2.5
181.04910	2.7
181.10118	7.7
183.11632	6.2
185.13150	2.9
187.14812	2.5
189.09120	5.7
191.10538	1.5
193.08566	2.1
193.10149	1.7
195.11638	5.2
197.13284	3.0
199.05988	2.0
199.14801	5.5
201.12726	1.5
203.10583	1.5
207.06387	1.2
207.11835	1.4
209.13274	6.6
211.14803	2.1
213.16331	1.8
215.10553	2.3
215.17975	2.3
221.08217	1.4
223.14783	1.4
227.10632	7.5
229.12166	8.8
231.13843	1.4
241.12230	2.3
243.13660	1.9
249.11148	7.5
253.19484	2.9
255.08618	2.4
255.13713	2.4
260.34518	1.4
273.09775	1.6
277.19473	1.8
291.21069	7.2
309.22003	5.5
319.20593	4.9
337.21561	57.0
355.22595	68.4
356.23068	1.8
363.67166	1.4
373.23648	97.9
380.06631	1.3
415.24741	4.9
433.25833	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01857	1.5
55.05504	3.6
56.96546	1.2
57.03439	2.6
60.16201	0.7
61.02907	3.7
64.68159	0.8
67.05491	11.3
69.03407	10.2
69.07053	2.1
70.06537	0.9
70.70316	0.8
71.04966	1.7
73.02906	1.1
74.57639	0.8
79.05457	9.9
81.03403	5.8
81.07037	18.0
83.04932	1.2
83.08604	5.3
85.02887	39.8
85.06507	1.3
87.04449	1.0
87.16573	0.9
91.05452	16.2
93.07021	20.5
95.04961	3.7
95.08580	12.7
97.02851	11.2
97.06527	1.0
98.97572	3.9
99.04389	0.9
103.05434	0.9
105.03374	1.1
105.07009	23.5
107.04898	1.4
107.08555	18.7
109.02877	5.1
109.06481	1.7
109.10123	10.1
115.05428	1.3
116.98607	4.3
117.06995	9.5
119.04955	1.4
119.08554	15.1
121.06440	2.0
121.10092	11.0
123.04397	1.0
123.07999	0.9
124.31204	0.8
125.05971	2.2
127.03897	7.9
128.06180	1.0
129.06938	7.7
131.08528	19.0
133.10121	11.2
134.99654	1.1
135.08025	1.5
135.11662	8.3
137.05923	3.8
141.06990	3.9
142.07741	1.6
143.08534	13.8
145.02829	1.7
145.04959	9.2
145.06418	1.2
145.10086	16.4
147.04440	2.3
147.08049	2.2
147.11673	15.9
149.05876	1.4
149.09634	1.3
149.13268	5.8
153.05417	1.3
155.08539	7.1
157.06480	1.3
157.10106	12.7
159.07982	1.9
159.11646	16.7
161.01212	1.1
161.09641	1.1
161.13200	16.8
163.06044	2.1
163.07500	4.2
163.11212	1.2
165.05505	0.9
165.06955	1.2
167.07053	3.2
167.08540	3.4
168.09340	1.2
169.10062	7.3
170.64497	0.9
171.07971	1.4
171.11597	6.7
173.06024	1.4
173.09564	1.5
173.13246	5.4
175.07529	13.9
175.14774	2.0
177.05405	3.4
177.09196	1.2
177.41054	0.9
181.04913	1.6
181.10114	5.3
182.10901	1.2
183.11629	12.2
185.09572	2.0
185.13216	7.1
187.07558	2.0
187.11171	1.0
187.14853	3.9
189.09091	5.8
189.12723	1.0
193.10075	1.3
195.11775	7.2
197.13239	5.6
199.14813	5.6
201.09085	1.5
201.12730	1.3
201.16406	1.4
203.10703	4.9
207.11703	1.9
209.09532	1.7
209.13280	3.6
211.11198	3.8
211.14833	4.8
213.16248	1.7
215.10681	2.1
215.17917	5.3
217.08575	1.2
217.15700	0.9
219.01848	1.9
221.13269	2.3
223.14752	3.2
227.10576	12.8
227.17976	1.4
229.12163	11.8
235.14859	3.7
237.02773	6.6
237.16396	2.2
241.12257	6.5
243.13734	3.5
249.16408	1.7
251.17818	1.8
253.19408	5.1
255.13762	4.7
255.20970	1.5
263.17923	1.3
269.15237	1.3
277.15768	1.3
277.19434	1.7
279.03824	2.3
281.15366	1.7
291.20895	9.5
295.16898	1.5
309.21954	7.2
319.20624	7.9
337.21524	73.0
355.22580	79.1
364.14526	1.1
373.23633	100.0
433.25900	8.7
463.23865	1.1
477.39706	1.2
697.31012	8.5
763.78174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2171
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03931	0.1
55.01855	0.1
55.05493	0.1
57.03426	1.6
58.69537	0.1
59.04961	0.1
60.24539	0.1
61.02913	1.5
68.99778	0.2
69.03417	0.8
71.04974	7.3
71.71391	0.1
73.02895	0.7
75.04452	0.5
81.03381	0.2
83.04974	0.7
85.02887	9.3
85.70175	0.1
87.04435	0.2
91.03939	0.7
92.09278	0.2
97.02878	1.2
98.23849	0.1
98.97597	0.1
99.04393	0.1
105.03381	0.1
109.02860	0.2
111.00783	0.2
111.04430	0.2
116.98614	0.1
121.02834	1.7
127.03885	0.5
129.05441	1.4
133.02837	0.4
135.04404	0.1
137.02304	0.4
137.05949	0.1
145.02820	0.4
145.04968	0.2
147.04375	0.6
147.06479	0.2
153.00700	0.2
153.01807	2.1
153.05438	0.2
157.06459	0.1
163.03801	0.1
165.01799	1.2
167.06969	0.1
173.09142	0.1
177.05431	0.4
183.02831	0.6
185.05954	0.2
189.05356	0.2
195.06500	0.1
197.05881	0.1
203.03418	0.4
203.06905	0.1
213.05406	1.0
231.06508	0.6
241.04866	0.7
250.06293	0.1
258.05209	0.8
259.05780	0.2
269.04352	0.1
278.05667	0.5
279.06357	0.1
287.05435	100.0
288.05661	0.8
295.06064	0.3
301.10645	0.2
329.06430	0.1
339.08603	1.1
340.08939	0.6
367.08047	0.6
368.08383	0.2
403.15723	0.7
449.10687	16.7
450.11026	0.2
559.14294	0.1
565.50958	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	757.2172
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03913	0.3
55.01836	0.1
55.05479	0.1
57.03426	2.0
59.04960	0.1
61.02913	0.5
68.99760	0.2
69.03416	1.2
71.04975	8.5
71.59713	0.0
73.02869	0.4
73.39529	0.1
75.04424	0.4
79.82123	0.1
81.03397	0.7
83.01311	0.1
83.04968	0.5
85.02889	10.7
87.04412	0.4
92.08791	0.2
95.04942	0.1
97.02865	1.3
99.04395	0.4
101.25525	0.1
104.30374	0.1
105.03348	0.1
107.04907	0.3
108.07761	0.1
109.02830	0.4
109.24629	0.1
111.00800	0.5
111.04380	0.3
121.02039	0.1
121.02841	2.0
124.01035	0.1
127.03877	0.7
129.01817	0.1
129.05460	1.5
133.02817	0.3
135.04337	0.1
137.02345	0.5
141.85303	0.1
145.04892	0.3
145.06407	0.1
147.04347	0.4
147.06448	0.3
151.42097	0.1
153.01808	2.3
157.06493	0.1
161.05956	0.1
163.03799	0.1
165.01782	1.5
167.07080	0.1
181.04904	0.1
183.02887	0.7
185.05949	0.3
189.05293	0.1
197.05920	0.1
203.03354	0.3
203.06873	0.1
213.05421	0.9
231.06491	0.6
241.04889	0.7
250.06281	0.1
251.06694	0.1
258.05185	0.9
259.05917	0.1
262.61642	0.1
269.04462	0.2
275.33948	0.1
278.05664	0.2
279.06259	0.2
286.04657	0.1
287.05441	100.0
288.05832	1.1
295.05951	0.1
296.06232	0.1
306.05151	0.1
324.06055	0.1
329.06607	0.3
339.08591	0.6
340.08899	0.3
367.07996	0.4
368.08228	0.2
395.89679	0.1
449.10696	16.6
450.10989	0.1
611.16162	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45252	1.5
54.81909	1.9
55.01840	1.4
55.05485	8.0
57.03421	6.5
57.07069	12.0
60.08144	2.2
61.02911	3.3
62.73374	1.4
67.05489	15.8
69.03415	13.0
69.07046	18.0
69.82013	1.6
71.08590	8.9
73.02869	1.7
79.05461	9.6
81.03393	7.8
81.07037	33.3
83.08603	3.6
85.02885	58.2
85.10161	8.4
86.09685	24.6
91.05440	10.7
93.07005	17.2
95.08591	29.9
97.02863	18.9
97.10133	9.3
99.04427	2.2
105.06995	18.4
105.87094	1.6
107.08540	15.3
109.02860	4.0
109.10126	23.5
111.11689	2.8
119.08574	15.4
121.10123	11.8
123.11668	10.0
124.99998	14.3
127.03917	13.3
131.08553	2.5
133.10104	12.5
135.11705	17.3
145.04938	16.4
147.11658	31.7
149.13210	10.3
159.11674	3.6
161.13219	22.8
163.05992	3.0
163.14810	2.6
173.13211	2.2
175.14804	9.0
175.56909	1.7
184.07306	45.4
187.14804	1.8
189.16336	2.1
201.16368	3.2
203.17851	2.0
215.17812	3.6
224.15573	1.7
229.19481	1.8
243.20897	3.1
257.22482	3.6
261.25601	1.8
328.98438	1.7
397.38214	100.0
398.37784	2.1
584.79840	1.7
648.03534	1.8
665.67102	1.8
683.72363	1.9
756.53455	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	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	5.6
53.03937	3.5
55.01861	5.8
55.05503	34.0
57.03428	22.0
57.07066	3.1
59.04986	3.0
60.84443	0.7
61.02912	8.8
65.03920	1.3
67.05491	71.5
69.03402	1.7
69.07048	16.8
71.01334	1.3
71.04980	3.6
73.02890	3.5
79.05473	52.6
80.85160	0.8
81.03396	4.1
81.07036	76.6
83.04958	5.2
83.08603	19.2
85.02892	7.0
85.06530	1.9
86.09692	1.8
88.59312	0.8
91.03933	1.5
91.04874	1.8
91.05458	49.5
92.08607	1.6
93.07019	61.2
94.33434	0.7
95.04950	12.7
95.08584	53.9
95.09197	1.8
97.02860	7.9
97.06485	5.4
97.10147	3.7
99.00793	28.8
103.05418	0.8
105.07009	31.9
107.04953	7.0
107.08575	34.9
109.02860	13.0
109.06507	5.6
109.10136	20.1
111.04432	1.8
111.08043	6.1
115.03909	3.9
115.05334	0.7
117.06969	8.7
119.08544	23.2
121.06485	9.8
121.10113	20.9
123.04395	1.9
123.08037	1.5
123.11660	7.1
124.99983	3.1
125.09538	1.3
127.03897	4.2
128.06161	0.9
128.20100	0.9
129.06953	1.4
131.08553	13.1
133.06471	1.7
133.10104	50.5
135.08047	3.0
135.11665	15.7
137.09593	3.4
139.07533	4.0
143.08540	7.4
145.10092	7.4
147.08014	1.1
147.11665	6.3
149.13248	9.3
151.11150	15.1
159.11647	5.4
161.08229	1.2
161.09584	25.0
161.10867	1.4
161.13197	6.2
163.11142	1.0
163.14828	3.0
171.08020	4.5
173.13222	4.9
175.14877	1.3
177.16437	0.9
179.10620	12.0
184.07346	7.5
187.14853	3.1
189.09053	10.2
197.11787	2.8
207.10194	3.3
207.19417	0.8
225.11171	12.3
227.12663	1.0
243.12151	1.7
243.21082	5.6
261.22089	17.3
281.13760	1.9
299.14825	86.0
315.23166	1.5
317.24722	3.7
335.25726	100.0
369.61639	1.0
370.60028	0.9
439.32123	0.9
449.30090	1.4
467.31436	4.2
485.32468	3.3
513.35535	1.7
523.34460	1.1
531.36389	1.5
541.35419	8.2
559.36200	55.4
577.37482	1.2
630.96155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	5.6
53.03937	3.5
55.01861	5.8
55.05503	34.0
57.03428	22.0
57.07066	3.1
59.04986	3.0
60.84443	0.7
61.02912	8.8
65.03920	1.3
67.05491	71.5
69.03402	1.7
69.07048	16.8
71.01334	1.3
71.04980	3.6
73.02890	3.5
79.05473	52.6
80.85160	0.8
81.03396	4.1
81.07036	76.6
83.04958	5.2
83.08603	19.2
85.02892	7.0
85.06530	1.9
86.09692	1.8
88.59312	0.8
91.03933	1.5
91.04874	1.8
91.05458	49.5
92.08607	1.6
93.07019	61.2
94.33434	0.7
95.04950	12.7
95.08584	53.9
95.09197	1.8
97.02860	7.9
97.06485	5.4
97.10147	3.7
99.00793	28.8
103.05418	0.8
105.07009	31.9
107.04953	7.0
107.08575	34.9
109.02860	13.0
109.06507	5.6
109.10136	20.1
111.04432	1.8
111.08043	6.1
115.03909	3.9
115.05334	0.7
117.06969	8.7
119.08544	23.2
121.06485	9.8
121.10113	20.9
123.04395	1.9
123.08037	1.5
123.11660	7.1
124.99983	3.1
125.09538	1.3
127.03897	4.2
128.06161	0.9
128.20100	0.9
129.06953	1.4
131.08553	13.1
133.06471	1.7
133.10104	50.5
135.08047	3.0
135.11665	15.7
137.09593	3.4
139.07533	4.0
143.08540	7.4
145.10092	7.4
147.08014	1.1
147.11665	6.3
149.13248	9.3
151.11150	15.1
159.11647	5.4
161.08229	1.2
161.09584	25.0
161.10867	1.4
161.13197	6.2
163.11142	1.0
163.14828	3.0
171.08020	4.5
173.13222	4.9
175.14877	1.3
177.16437	0.9
179.10620	12.0
184.07346	7.5
187.14853	3.1
189.09053	10.2
197.11787	2.8
207.10194	3.3
207.19417	0.8
225.11171	12.3
227.12663	1.0
243.12151	1.7
243.21082	5.6
261.22089	17.3
281.13760	1.9
299.14825	86.0
315.23166	1.5
317.24722	3.7
335.25726	100.0
369.61639	1.0
370.60028	0.9
439.32123	0.9
449.30090	1.4
467.31436	4.2
485.32468	3.3
513.35535	1.7
523.34460	1.1
531.36389	1.5
541.35419	8.2
559.36200	55.4
577.37482	1.2
630.96155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79498	0.8
54.81543	1.0
58.37045	0.8
59.57753	1.1
64.84224	0.8
66.99205	0.8
67.05495	0.9
67.72327	0.9
67.99377	1.0
81.07065	1.4
85.65284	0.9
93.07030	1.4
114.36877	1.0
173.77124	1.2
187.03630	1.6
218.33673	1.0
251.09935	1.1
258.83029	1.0
324.28455	1.1
325.07626	1.0
341.42639	1.1
487.11090	1.1
564.54834	1.1
589.44324	17.5
753.48901	100.0
754.50525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81578	1.9
60.94018	1.6
65.41369	1.5
126.86945	1.7
140.55139	1.6
142.47836	1.7
164.71367	1.7
237.87094	1.8
382.82938	1.9
513.13226	2.4
589.44720	7.5
635.73810	2.2
753.48975	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	754.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.2
53.03941	3.3
55.01865	3.2
55.05504	36.7
56.05821	1.4
57.03427	21.9
57.07067	5.8
59.05014	1.4
61.02910	8.6
65.03914	2.4
66.26723	1.6
67.05493	100.0
69.03413	6.9
69.07061	21.8
71.04963	2.7
79.05478	63.6
81.03404	10.3
81.07040	73.5
83.04971	6.2
83.08610	15.9
84.27569	1.4
85.02890	10.9
85.06540	2.6
91.05462	39.9
92.08663	1.7
93.07020	59.0
95.04943	25.4
95.08582	48.2
97.02881	1.9
97.06479	6.3
97.10151	14.8
98.72959	1.5
105.06997	25.6
107.04948	9.1
107.08567	29.3
109.06502	2.8
109.10139	34.5
111.08056	3.7
117.06970	13.4
119.08567	14.0
121.06500	7.4
121.10111	20.6
123.08068	1.7
123.11694	3.3
125.09596	10.8
129.07011	3.2
131.08556	17.0
133.10054	11.0
135.08032	6.1
135.11693	11.0
137.09593	1.8
141.06985	3.4
143.08540	3.2
145.10150	11.7
147.11676	2.1
149.13254	7.7
157.10155	2.2
159.11670	10.7
161.13269	1.8
169.10065	2.0
171.11758	2.9
173.11778	1.8
173.13225	3.5
174.52795	1.8
187.14833	2.5
189.11241	2.6
205.12386	2.8
212.12260	1.6
223.13228	33.7
227.12750	3.7
229.14313	9.2
243.21127	2.6
261.22104	10.2
297.16931	53.7
317.24362	2.2
329.24609	1.6
335.25745	46.9
337.92056	1.9
408.47220	1.6
489.35715	20.1
539.37085	7.5
557.38239	47.5
704.27881	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01862	8.0
57.03427	1.2
58.86517	0.5
67.05502	1.1
69.03408	4.4
69.07043	0.9
70.06581	0.7
71.04971	0.7
73.02886	1.2
77.49634	0.5
81.03395	5.2
81.07053	1.3
83.04953	0.6
83.32413	0.5
85.02895	4.1
87.04453	0.7
89.46984	0.7
91.05445	0.7
93.06988	2.5
94.06536	0.7
95.04936	0.9
96.08123	0.5
97.02866	4.3
97.06505	0.5
99.04432	0.9
105.07018	0.8
107.04944	0.9
107.08564	0.6
108.04466	3.2
109.02850	5.3
109.06538	0.7
109.10157	0.6
112.07597	0.7
115.65872	0.8
120.08076	3.7
121.10143	0.8
122.05994	1.2
124.07584	0.6
127.03867	3.9
136.07553	4.0
137.05948	2.7
137.09583	1.0
140.07069	4.1
145.02773	0.6
146.05974	1.0
148.07547	9.3
150.05412	0.8
151.03784	0.5
154.08615	0.7
157.37932	0.5
160.07535	0.8
162.20438	0.5
167.07011	2.5
168.06535	3.4
174.05565	1.2
175.08574	1.0
177.05400	0.7
184.11215	0.6
187.08568	0.8
197.10655	0.8
198.09085	2.8
199.05948	0.8
199.08601	9.0
199.12325	2.1
200.09363	2.8
201.10207	3.2
210.09172	2.2
211.08492	0.8
212.09297	0.9
213.10243	3.8
214.10921	2.5
215.11739	9.9
224.10760	2.2
225.10156	8.9
226.08644	6.8
227.08157	3.2
227.11729	9.9
228.12416	0.7
229.09666	1.8
229.13358	6.6
237.10068	0.7
241.09607	4.1
241.13225	4.2
242.10567	3.4
243.11195	10.8
251.11815	0.6
252.10085	3.4
253.13390	1.0
254.10416	1.1
255.11221	52.7
256.11801	2.8
257.12735	4.7
269.12802	16.1
271.14255	1.3
275.13791	2.6
287.13815	0.7
289.15509	0.9
297.12283	25.3
299.13959	3.8
313.11865	4.0
315.13327	60.9
316.13992	0.9
317.14865	5.2
329.14914	0.7
357.14371	25.2
358.14667	0.9
359.16180	0.8
376.18829	0.6
383.16016	0.7
387.15344	2.3
398.75146	0.6
399.15164	2.5
413.16940	3.0
417.16443	16.1
423.15338	3.1
431.18069	4.5
441.10745	1.0
441.16446	17.2
442.16556	0.7
449.19086	1.0
459.17520	55.2
460.17587	1.1
477.18573	100.0
478.18753	3.2
699.29462	3.3
735.31689	3.3
753.33038	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	752.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
53.18569	0.1
54.81668	0.1
56.79652	0.1
57.03428	0.5
60.11142	0.1
61.02922	0.1
63.02359	0.1
67.05483	0.3
69.03417	1.6
69.07047	0.2
71.04976	0.3
73.02898	0.1
79.05491	0.1
80.36559	0.1
81.03397	4.1
81.07028	0.5
85.02891	1.7
85.06528	0.2
87.04483	0.2
89.03889	2.7
91.05470	0.5
93.07021	0.5
95.08607	0.3
97.02863	1.3
99.04435	0.4
101.39977	0.1
103.05443	0.2
105.07005	0.1
107.97707	0.1
109.02847	1.9
109.06558	0.1
109.10156	0.3
112.70229	0.1
113.32130	0.1
117.03361	13.3
119.04919	0.2
119.08591	0.2
125.60066	0.1
127.03885	0.7
133.04866	0.1
134.03574	0.6
135.04369	1.1
137.05940	0.2
145.02827	55.0
145.10037	0.2
146.03203	0.2
146.06012	1.6
149.05966	5.1
151.03888	0.3
162.03140	0.1
163.03886	0.8
167.06911	0.1
174.05449	0.9
177.05435	100.0
178.05815	0.7
186.05324	0.4
186.31735	0.1
195.06531	1.6
240.45345	0.1
300.08578	0.3
309.09482	0.2
321.09644	4.1
339.10666	9.3
413.54752	0.1
459.17227	0.5
627.53711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.05500	11.9
56.50449	2.4
57.03421	14.3
57.06815	2.7
57.07067	46.6
67.05477	17.9
68.63508	2.6
69.07037	11.6
71.08608	21.6
76.55281	3.3
79.05471	10.6
81.03401	85.5
81.07037	20.9
83.08602	28.2
85.10157	12.9
91.05447	13.0
93.07023	5.9
95.04942	20.3
95.08612	19.9
97.10145	4.1
105.06982	6.4
107.04918	3.5
107.08549	2.7
109.10114	11.4
119.08559	5.0
121.10141	4.8
129.06998	5.0
131.08493	4.8
133.10083	3.4
147.11722	3.6
157.10011	3.6
174.83447	2.7
175.11075	9.8
193.12206	26.4
267.15854	88.9
293.11945	3.0
311.55450	3.1
313.27286	100.0
505.38745	82.5
534.39966	3.4
547.40100	4.7
752.47095	3.2
783.60425	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	752.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
53.18569	0.1
54.81668	0.1
56.79652	0.1
57.03428	0.5
60.11142	0.1
61.02922	0.1
63.02359	0.1
67.05483	0.3
69.03417	1.6
69.07047	0.2
71.04976	0.3
73.02898	0.1
79.05491	0.1
80.36559	0.1
81.03397	4.1
81.07028	0.5
85.02891	1.7
85.06528	0.2
87.04483	0.2
89.03889	2.7
91.05470	0.5
93.07021	0.5
95.08607	0.3
97.02863	1.3
99.04435	0.4
101.39977	0.1
103.05443	0.2
105.07005	0.1
107.97707	0.1
109.02847	1.9
109.06558	0.1
109.10156	0.3
112.70229	0.1
113.32130	0.1
117.03361	13.3
119.04919	0.2
119.08591	0.2
125.60066	0.1
127.03885	0.7
133.04866	0.1
134.03574	0.6
135.04369	1.1
137.05940	0.2
145.02827	55.0
145.10037	0.2
146.03203	0.2
146.06012	1.6
149.05966	5.1
151.03888	0.3
162.03140	0.1
163.03886	0.8
167.06911	0.1
174.05449	0.9
177.05435	100.0
178.05815	0.7
186.05324	0.4
186.31735	0.1
195.06531	1.6
240.45345	0.1
300.08578	0.3
309.09482	0.2
321.09644	4.1
339.10666	9.3
413.54752	0.1
459.17227	0.5
627.53711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
54.81651	0.1
55.05502	0.4
57.03426	0.2
61.02900	0.1
63.02365	0.2
63.02695	0.1
67.05496	0.1
69.03418	1.4
69.07053	0.2
71.04974	0.2
78.45929	0.1
79.05478	0.1
81.03400	3.8
81.07042	0.4
83.04938	0.1
83.08608	0.1
85.02891	1.7
87.04472	0.2
89.03891	2.4
89.90813	0.1
91.05451	0.5
92.44123	0.1
93.07056	0.2
95.04911	0.1
95.08598	0.1
97.02866	1.2
99.04429	0.5
103.05435	0.2
105.07014	0.1
107.04919	0.1
107.08530	0.1
109.02863	1.6
109.06512	0.1
109.10145	0.2
115.03909	0.1
117.03358	12.3
119.04896	0.1
119.08600	0.1
121.06509	0.1
121.10078	0.1
123.08035	0.1
127.03885	0.7
129.06920	0.1
133.10121	0.1
134.03632	0.7
135.04384	1.1
135.08055	0.1
137.05925	0.2
137.09567	0.1
145.02826	52.6
146.03127	0.4
147.04417	0.2
149.05954	5.3
151.03790	0.1
159.08058	0.2
162.03061	0.2
163.03876	0.6
165.09044	0.2
167.07095	0.1
177.05432	100.0
178.05801	0.7
181.04961	0.7
186.05435	0.5
188.03722	0.7
189.05428	0.1
195.06497	2.1
219.06575	0.1
219.10042	0.2
277.28445	0.1
309.09393	0.2
321.09622	3.5
321.72943	0.1
339.10678	9.4
646.17603	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	750.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
55.98502	0.1
57.03418	0.4
58.80534	0.1
65.03927	0.4
67.05500	0.1
69.03411	1.3
69.49704	0.1
71.04984	0.1
81.03398	2.9
81.07068	0.1
81.84830	0.1
85.02889	1.6
85.88988	0.1
87.04443	0.1
91.05456	3.4
93.07018	0.2
93.43526	0.1
95.04915	0.1
97.02876	1.3
99.04424	0.3
107.08559	0.1
109.02864	1.4
109.10165	0.1
115.03976	0.1
119.04915	16.4
127.03881	0.6
131.08595	0.1
133.10123	0.1
147.04382	100.0
148.04692	0.7
154.41197	0.1
159.08029	0.1
165.05423	5.3
167.03316	0.1
198.72380	0.1
231.82524	0.1
261.07455	0.1
279.08395	0.1
291.08545	3.5
292.08893	0.1
296.93863	0.1
307.35989	0.1
309.09613	9.0
310.10123	0.1
600.50146	0.1
718.28845	0.1
777.30725	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	749.444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.05500	1.1
55.76061	0.5
57.03423	2.7
61.02913	6.6
67.05485	7.6
69.03407	4.1
69.07046	1.1
71.04971	2.0
73.02914	4.4
79.05480	4.5
81.03407	1.1
81.07032	5.5
85.02888	7.3
91.03938	3.8
91.05441	3.7
92.08647	1.3
92.09265	2.5
93.07013	4.9
95.04980	0.6
95.08578	3.8
97.02865	5.4
101.02383	1.1
105.07021	1.9
107.08604	2.0
109.02841	0.9
109.10141	3.7
119.08580	2.6
121.10129	1.6
127.03922	2.1
131.08557	1.0
133.10136	0.7
135.11674	1.8
145.10017	0.5
164.73524	0.5
185.35187	0.5
192.23878	0.5
192.36774	0.4
231.76930	0.5
232.35313	0.5
243.08423	2.2
253.14146	2.7
272.98898	0.5
335.25867	0.8
342.34140	0.5
350.65656	0.5
471.21985	4.7
519.29083	7.0
584.76740	0.5
630.28455	0.5
669.28485	0.5
749.44250	100.0
750.44373	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	749.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05506	1.6
57.03428	1.7
57.15885	0.7
60.83044	0.8
61.02919	6.1
62.35603	0.7
67.05494	11.6
69.03416	3.5
69.07054	1.9
71.04989	4.9
73.02911	4.8
79.05484	4.0
81.03442	1.2
81.07060	6.7
85.02895	7.5
91.03944	3.4
91.05474	4.3
92.09127	7.5
93.07040	5.6
95.08608	4.3
97.02883	5.8
98.01350	0.8
101.02376	1.7
105.07026	1.0
107.08611	1.7
109.10153	4.9
119.08596	1.3
135.11768	1.9
173.11839	1.1
210.43448	0.9
225.09753	0.9
243.08405	1.7
315.26883	0.9
333.98141	0.9
471.21823	10.9
519.29370	3.3
601.39502	0.9
749.44458	100.0
749.97980	1.0
750.44708	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	749.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98341	0.9
55.05502	2.0
56.17396	1.0
57.03432	1.5
57.23590	1.2
61.02908	5.0
62.50717	0.9
67.05486	2.5
69.03416	2.5
69.07079	1.3
73.02921	1.7
79.05514	1.5
81.03402	2.0
81.07042	7.1
85.02885	5.3
91.03939	2.0
91.05476	2.3
93.07017	1.7
95.08591	5.0
97.02898	2.1
97.06579	1.2
107.08560	1.3
112.40588	1.1
119.08523	2.0
129.07050	1.3
131.08566	1.3
133.10107	2.2
154.18253	1.2
209.55542	1.3
231.02618	1.2
243.08350	2.0
285.51230	1.3
469.20236	8.5
691.39490	1.4
749.44281	100.0
750.44879	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	749.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.0
56.10566	0.5
57.03426	3.2
58.90870	0.4
61.02916	7.3
62.73598	0.5
67.05486	6.6
69.03413	4.1
69.07059	2.3
73.02906	4.3
77.65853	0.5
79.05469	3.0
81.03397	2.8
81.07035	7.7
83.04977	0.7
83.08589	1.1
85.02892	5.3
91.03944	3.7
91.05470	2.7
93.07026	2.5
95.08560	5.5
97.02850	5.6
97.06555	0.6
97.10207	0.5
99.04423	0.7
101.02354	1.1
105.07034	2.3
107.08623	1.2
109.02834	0.8
109.10132	2.5
119.08547	1.1
121.10108	0.9
123.11711	1.0
127.03926	2.4
133.10127	0.9
146.05699	0.5
154.86522	0.5
157.16116	0.6
165.27057	0.6
173.66919	0.5
183.79643	0.5
235.97462	0.6
243.08453	1.2
251.12625	0.8
337.27490	0.6
469.20151	4.0
521.30634	6.8
748.41614	1.1
749.44244	100.0
750.44757	2.4
764.49091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22871	0.6
55.05505	14.4
57.03419	1.5
57.07068	1.5
65.03946	1.1
66.80952	0.7
67.05489	42.5
67.05849	1.6
69.07052	17.4
71.04984	1.8
79.05469	16.6
81.07036	49.5
81.99366	0.6
82.28804	0.7
83.04960	0.9
83.08601	9.7
85.06505	1.4
85.13799	0.7
91.05451	21.3
93.07011	21.6
95.04935	1.1
95.08582	40.4
97.06511	4.4
97.10147	4.8
99.08053	1.6
105.06997	8.0
107.08575	11.7
109.10139	21.1
111.08066	2.8
111.11710	0.7
117.06980	1.0
119.04913	32.7
119.08542	8.1
121.10129	15.6
123.08025	0.7
123.11672	6.6
131.08546	5.5
133.10078	6.3
135.11668	12.5
137.09599	1.2
137.13211	1.3
139.11192	0.8
145.10110	4.6
147.04384	100.0
147.11638	5.5
149.09583	0.9
149.13228	3.0
151.11148	0.9
151.14771	0.9
159.11687	3.0
161.13181	5.3
163.14731	1.1
173.11867	0.9
173.13248	1.4
175.14798	1.7
181.99536	0.8
187.14774	0.8
217.19434	1.1
235.20468	3.7
243.21098	2.9
252.18930	0.7
253.21246	1.0
261.21997	5.8
279.23105	11.0
297.24097	5.3
338.21271	0.7
391.31772	1.2
407.31638	1.1
457.60956	0.8
495.42044	1.6
513.43103	8.0
531.44012	11.0
549.45111	7.6
713.49585	11.1
722.14575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37027	1.1
55.05499	15.0
57.07083	1.5
60.18243	1.2
60.72314	1.2
65.84373	1.2
67.05486	47.3
69.07050	22.8
71.04967	2.7
71.81721	1.2
79.05464	22.2
81.07035	47.2
83.08601	8.5
85.06523	2.9
91.05450	25.0
93.07005	20.1
95.04935	1.6
95.08574	43.6
97.06495	3.1
97.10149	6.0
105.07009	8.6
107.08570	13.7
107.09179	1.7
109.06506	2.0
109.10134	17.4
117.07031	1.7
119.04916	32.4
119.08569	10.9
121.10121	18.5
123.08054	1.8
123.11693	5.9
125.09642	1.4
131.08525	2.5
133.10094	7.5
135.11658	9.8
137.13196	1.7
145.10100	2.4
147.04375	100.0
147.11690	3.1
149.13120	2.0
159.11696	2.6
161.13234	5.3
164.80968	1.4
165.48544	1.4
166.61395	1.5
175.14743	2.3
187.14459	1.5
235.20575	1.8
253.21684	2.6
261.22034	7.5
279.23102	14.5
297.24188	6.9
431.94800	1.5
495.41977	3.2
513.42834	11.1
531.44153	14.2
549.44757	7.8
660.43750	1.8
713.49829	17.4
714.49634	1.6
748.43109	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	748.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.5
55.05505	19.1
55.05714	1.8
57.07058	2.4
67.05486	45.0
68.53764	1.7
69.07048	27.6
71.04984	2.1
77.25335	1.8
79.05470	20.3
81.07032	48.0
83.03444	1.8
83.08593	11.3
91.04986	2.5
91.05462	23.3
91.05966	2.7
92.08529	3.0
92.09095	12.0
93.07023	27.3
95.08587	43.7
97.06533	3.8
97.10149	5.0
105.07005	8.5
107.08577	12.9
109.10149	21.3
111.11686	2.1
113.46762	2.2
119.04908	35.1
119.08533	8.0
121.10166	15.3
123.11682	8.4
130.69312	2.4
133.10100	4.6
135.11681	12.0
137.13228	2.4
145.10168	3.6
147.04382	100.0
147.11658	3.7
149.13304	2.2
161.13226	4.8
229.61432	2.8
233.80055	2.2
235.20561	4.5
261.22104	7.9
279.23129	18.4
297.24203	8.8
495.41525	2.4
513.42859	10.8
531.43823	13.0
573.48572	4.7
713.49457	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	748.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
54.32081	0.1
55.01858	0.3
55.05502	0.3
57.03430	0.4
65.03930	2.8
67.05485	2.1
69.03411	3.4
69.07043	0.9
71.04970	0.8
79.05457	0.9
81.02933	0.3
81.03401	6.7
81.07035	1.7
83.08615	0.2
85.02888	4.0
85.06536	0.4
87.04450	0.2
91.05450	0.4
92.08672	0.2
93.03404	1.5
93.07039	0.9
95.04971	1.5
95.08569	1.4
97.02872	2.7
97.10157	0.3
99.04401	0.9
102.62952	0.2
105.07023	0.4
107.04923	0.9
107.08582	0.7
108.02077	1.1
108.04462	0.3
109.02866	3.1
109.10136	0.5
110.03642	0.9
110.10470	0.3
111.04426	7.3
113.05988	1.5
114.06297	0.2
115.03942	0.2
115.05424	0.4
117.07009	0.9
119.08561	0.7
121.10131	0.4
123.04388	1.0
123.07998	0.2
125.05975	4.2
127.03884	1.2
131.08556	0.8
133.10040	0.3
135.11633	0.2
136.01515	0.4
137.05962	0.4
137.09683	0.2
140.04659	0.4
141.05461	2.3
142.02599	0.2
144.05681	0.2
145.02844	0.4
145.04843	0.3
145.06480	1.9
145.10104	0.2
151.03886	100.0
151.04955	6.2
152.04268	0.9
157.10039	0.3
159.07974	0.3
159.11734	0.2
161.05925	0.3
167.07018	4.2
169.04929	9.3
171.06502	0.4
173.05919	3.1
177.05424	1.2
181.04915	9.6
187.07484	0.4
190.06238	1.8
202.06232	0.2
205.08572	3.3
217.08490	1.9
219.10191	0.3
231.10228	0.2
235.09654	1.0
249.11336	0.2
256.23691	0.2
257.24567	0.2
265.10745	1.4
294.83475	0.2
295.08054	4.1
312.10825	0.2
313.09140	7.5
315.08548	0.2
325.09003	0.3
377.92542	0.2
383.14725	0.8
401.15604	0.4
533.20978	0.2
679.37952	0.2
748.48395	0.3
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
55.05501	2.4
57.22139	1.5
61.02911	3.0
67.05490	9.1
69.03407	2.6
73.02919	2.2
73.78222	1.5
79.05471	2.5
81.07044	9.6
85.02885	8.1
91.03938	2.8
91.05449	1.7
93.07046	2.9
95.08593	8.0
97.02885	3.8
105.06996	1.8
107.08570	2.9
111.66866	1.8
139.63048	1.8
147.04422	2.0
147.26535	2.1
163.04840	1.5
268.24576	1.7
340.06131	1.7
441.15424	2.0
467.18521	1.8
521.30823	7.2
706.39215	2.0
747.42694	100.0
748.42773	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.9
59.52633	1.2
60.03735	1.2
61.02914	6.5
62.88485	1.4
67.05495	3.9
67.59394	1.2
73.02911	2.3
79.05473	2.9
81.07050	3.5
85.02893	2.4
92.08665	6.6
93.07018	3.8
95.08578	3.1
105.07032	1.8
107.08563	2.4
135.11673	1.9
163.11180	2.1
165.08835	1.9
199.43372	2.0
223.25282	1.8
249.10982	9.9
274.20328	1.9
303.25092	1.7
445.00632	1.7
467.18802	9.9
470.17914	2.1
509.02863	2.2
521.30859	3.5
747.42688	100.0
748.43469	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
56.29191	1.2
57.03440	2.3
57.07093	1.1
61.02906	6.3
67.05493	6.4
69.03424	2.7
69.07050	1.6
69.25573	1.3
73.02900	1.4
74.43188	1.3
79.05466	1.6
81.03394	2.5
81.07036	10.3
83.58005	1.5
85.02882	3.0
89.06021	2.6
91.03938	2.2
92.09195	2.8
92.75204	1.3
93.07091	1.6
95.08590	7.5
97.02876	5.3
101.02377	1.6
105.07027	1.5
107.08589	1.8
121.10126	1.7
126.67015	1.4
135.11690	2.5
183.96471	1.3
243.08418	2.1
249.10899	12.4
423.79919	1.7
458.94186	1.8
467.18951	6.8
469.20633	1.5
521.30829	9.1
736.43121	1.9
747.42688	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01859	0.3
55.05510	2.1
57.03423	2.8
61.02911	7.6
67.05485	5.3
69.03414	4.2
69.07057	1.7
71.01340	0.4
71.04987	0.5
73.02901	5.4
76.59854	0.3
79.05465	5.4
81.03409	2.9
81.07033	6.0
83.08605	0.5
85.02883	8.3
87.04469	0.4
91.03938	4.0
91.05456	3.4
91.80656	0.2
93.07015	4.5
93.20028	0.2
95.04971	0.6
95.08578	4.5
97.02872	5.3
99.04454	1.1
101.02353	2.3
102.55200	0.2
103.03915	0.4
105.07012	2.6
107.08579	2.8
109.02891	1.2
109.10167	1.3
115.03891	0.3
117.06967	0.4
119.08588	1.3
121.10120	2.2
123.11678	0.5
127.03876	2.0
131.08568	1.5
133.10123	1.4
135.11670	0.6
145.04990	0.4
145.10139	0.5
147.11671	0.6
149.13222	0.5
157.10127	0.6
172.64516	0.3
173.13297	0.3
185.04163	0.4
189.20177	0.2
193.12291	1.1
243.08336	2.0
249.97539	0.3
251.12471	1.0
315.89572	0.3
335.25970	1.0
469.20261	4.4
499.41010	0.3
519.29224	8.0
519.36646	0.4
747.42706	100.0
748.42786	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	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89325	0.4
55.01858	0.6
55.05496	1.9
57.03428	1.1
61.02915	4.8
64.32956	0.4
67.05488	4.4
69.03418	2.9
69.07057	0.6
71.04971	0.7
73.02901	3.7
79.05489	3.5
81.03403	3.7
81.07034	4.2
83.08595	1.6
85.02879	6.9
91.03928	3.7
91.05460	3.5
92.09230	1.5
93.07013	3.2
95.04971	1.7
95.08575	3.1
97.02879	5.3
99.04443	0.7
101.02368	2.7
105.07006	2.3
107.08588	0.9
109.10122	1.6
111.08135	0.5
119.08570	0.8
121.10100	1.7
121.81738	0.4
127.03934	0.8
127.38467	0.4
129.07008	0.7
133.10184	0.8
146.17052	0.4
157.10112	0.9
172.81841	0.4
175.11217	0.9
185.04181	0.7
193.12230	0.8
193.59698	0.5
211.13229	0.6
243.08400	2.3
251.12581	0.9
307.15198	0.7
469.20245	7.6
519.29254	4.0
547.71490	0.5
641.18158	0.6
747.42737	100.0
748.42560	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	746.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15680	1.7
55.05512	17.0
57.03414	1.7
57.07055	2.8
63.26064	1.7
64.20827	1.7
65.03942	1.7
65.40008	1.8
66.31431	1.5
67.05139	2.8
67.05494	62.5
69.07056	22.9
79.05472	32.0
79.79555	1.7
81.06603	3.1
81.07044	68.2
83.04961	2.3
83.08590	12.2
83.58884	1.8
91.05467	34.6
93.07024	35.6
95.08594	57.0
97.06507	3.4
97.10166	7.7
105.07024	11.6
107.08595	17.9
109.10145	32.5
111.08080	5.0
117.07051	3.4
119.04919	34.3
119.08570	14.7
121.10133	23.8
123.08118	2.2
123.11704	11.5
131.08496	12.2
133.10098	19.2
135.11691	15.8
137.09586	2.7
137.13177	2.3
139.11215	2.8
145.10112	8.6
147.04395	100.0
147.11681	10.9
149.13260	3.3
159.11742	8.2
161.13229	3.1
215.17921	9.5
233.18927	7.2
251.20047	10.4
261.22034	4.8
279.23001	17.9
297.24222	7.7
345.77118	2.3
462.15085	2.5
493.40204	3.4
511.40915	15.4
529.42303	36.2
547.43451	4.9
711.47858	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00594	5.5
55.05505	14.9
67.05490	73.2
69.07054	14.7
79.05461	29.0
80.27286	6.4
81.07026	100.0
83.08610	12.0
91.05478	28.7
93.07007	36.7
95.08585	74.0
103.94817	6.9
107.08598	27.1
109.10132	15.1
119.04909	34.4
119.08541	8.4
121.10072	12.3
128.97800	6.4
131.08443	7.6
132.24078	6.4
133.10100	12.2
139.96504	6.2
147.04390	97.9
151.11201	7.7
272.20236	6.7
279.23038	14.0
311.98358	7.4
389.22311	7.6
416.48120	8.3
453.70535	7.7
511.41379	8.9
529.42322	37.2
635.71240	7.6
689.00183	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	745.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.3
53.03934	0.4
55.01864	0.4
55.05498	2.5
57.03419	2.6
57.07081	0.3
61.02914	7.8
67.05491	7.5
69.03410	4.7
69.07045	1.9
71.01315	0.3
71.04986	0.5
73.02895	6.1
79.02847	0.3
79.05476	6.0
81.03410	2.1
81.07033	6.7
83.04960	0.4
83.08606	0.6
85.02882	6.6
86.15181	0.3
87.04452	0.5
91.03933	4.4
91.05457	3.5
92.49851	0.2
93.07021	6.8
95.04980	1.5
95.08578	6.3
97.02867	7.3
99.04440	1.1
101.02349	2.5
103.03907	0.3
103.74017	0.3
105.06998	2.1
107.04935	0.4
107.08562	4.1
109.02882	0.6
109.10140	2.8
112.45223	0.2
113.28658	0.3
117.07021	0.6
119.08568	1.9
121.10114	2.4
127.03873	2.1
131.08551	1.9
133.10149	0.6
135.11649	3.1
145.10063	2.5
147.11703	0.3
159.11653	0.4
163.11139	4.0
173.13289	0.3
185.04219	0.4
203.05257	0.4
215.38896	0.3
219.10007	0.3
227.12706	2.0
243.08379	2.8
249.10905	15.1
259.07950	0.4
305.13593	0.6
335.25928	1.5
407.57291	0.3
467.18643	6.1
519.29144	11.1
583.35986	0.5
745.41180	100.0
746.40961	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	746.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01858	0.8
55.05499	2.8
57.03423	3.2
61.02913	0.9
67.05488	2.6
69.03417	5.9
71.01333	13.9
71.04981	3.7
74.96990	0.4
79.05482	1.0
81.03392	2.2
83.01318	0.9
83.04964	23.7
85.02887	100.0
87.04432	0.5
92.08739	1.5
92.09337	1.0
95.01310	5.0
95.04951	4.1
97.02853	2.9
97.06506	5.5
99.00859	0.5
99.04428	2.0
101.02345	0.6
109.02869	1.0
111.04417	11.9
113.02328	3.9
113.05968	0.9
115.03922	0.6
117.01881	1.6
121.02853	0.7
121.06451	0.6
123.00727	0.6
123.04395	0.7
125.02317	0.7
125.05937	1.6
127.03887	12.1
129.05527	2.1
137.02351	1.0
141.01801	28.0
143.07037	2.0
149.05969	0.8
151.03909	0.7
157.04955	3.3
159.02904	0.6
163.03961	0.6
171.06488	10.1
179.03329	0.6
183.02821	4.2
189.07635	1.9
201.03917	9.8
261.05988	33.7
269.06436	0.8
287.07602	0.8
302.11078	0.4
311.07617	2.4
371.09781	0.5
616.08136	0.6
732.82635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
54.83104	0.8
55.01858	1.5
55.05262	1.1
55.05505	15.6
57.03424	8.8
57.07055	1.4
57.78831	0.7
58.00669	0.7
59.04981	3.5
60.11468	0.6
61.02916	2.0
64.26579	0.8
65.03916	0.9
67.05490	100.0
68.05817	0.8
69.03404	1.4
69.07048	14.7
71.04973	23.6
73.25538	0.8
79.05134	0.9
79.05472	37.9
81.03392	5.1
81.07034	43.0
83.04967	3.9
83.08595	7.6
85.02893	4.2
85.06534	1.9
88.46957	0.8
89.11880	0.7
91.05462	26.3
93.07020	44.7
95.04945	5.9
95.08582	34.3
97.02892	1.4
97.06503	5.2
97.10130	1.0
98.02065	0.7
101.05949	0.8
105.07017	13.3
107.08579	18.5
109.06503	1.2
109.10141	63.2
111.08106	1.7
114.36932	0.8
117.06979	6.2
117.29697	0.9
119.08544	19.9
121.10114	15.7
123.11681	1.6
131.08533	7.4
133.10110	8.3
135.11655	14.0
137.09634	11.0
139.11200	1.7
145.10126	7.5
147.11668	4.9
149.13272	1.9
155.10623	1.2
157.10095	0.9
159.11717	4.0
161.13228	2.9
163.11194	1.4
169.12259	1.2
173.11722	7.2
173.13200	3.4
175.14857	0.8
183.11636	0.9
187.14784	1.4
193.12146	1.0
211.13185	1.2
213.14795	1.2
255.15799	3.1
287.18439	13.9
298.76694	0.9
307.40234	0.9
335.25699	14.3
337.27136	1.0
397.30923	1.2
423.32468	1.5
471.34760	3.2
489.35648	64.5
503.37555	1.1
515.37256	13.3
547.39838	54.9
738.48798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
54.57499	1.4
54.81739	1.8
55.01860	2.1
55.05267	1.7
55.05509	27.4
56.50719	1.6
57.03435	30.0
57.07063	3.0
57.39749	1.6
61.02900	10.7
61.71153	1.5
67.05138	3.6
67.05495	87.6
69.03415	4.3
69.07059	29.0
70.25909	1.7
71.04981	7.5
73.02911	2.1
79.05479	44.8
81.02939	2.3
81.03407	62.2
81.07043	90.5
83.04968	25.8
83.08610	37.9
85.02895	37.1
91.03929	2.1
91.05466	43.8
93.07034	37.1
95.04959	32.0
95.08594	56.4
97.02824	2.8
97.06482	8.7
97.10178	12.3
105.07020	33.8
107.04941	7.8
107.08571	21.5
109.06481	2.6
109.10144	19.2
111.08104	12.2
113.05963	2.1
115.05450	1.7
117.06977	3.3
119.08571	30.4
121.10146	20.9
123.11719	7.3
125.09614	3.4
129.06995	12.7
131.08537	12.1
133.10155	13.8
135.11630	4.2
137.09573	4.0
145.10059	3.1
147.11673	18.2
149.09630	3.9
157.10117	15.6
175.11182	11.3
193.12213	45.2
211.13287	46.5
219.09041	1.8
244.05104	1.8
267.15894	13.7
285.16910	54.1
337.27289	59.9
489.35773	2.8
529.38818	11.0
547.39948	100.0
548.39899	2.5
651.05603	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.8
53.03928	3.2
55.01862	4.2
55.05505	37.2
57.03169	2.1
57.03428	28.3
57.07062	3.1
61.02910	7.0
67.05492	77.9
69.03416	4.3
69.07055	30.9
71.04972	8.7
71.08598	1.8
73.02889	1.6
77.14966	1.4
79.05468	40.4
81.03399	62.3
81.07034	84.1
83.04967	20.5
83.08606	38.6
85.02888	32.1
85.06527	2.1
91.05465	43.6
92.01942	1.5
92.09445	2.6
93.07018	36.3
93.66214	1.7
95.04947	26.0
95.08581	62.4
97.02891	2.4
97.06506	6.6
97.10143	10.7
99.08135	1.7
100.05360	1.5
105.07010	32.1
107.04921	8.0
107.08585	15.4
109.06539	7.6
109.10144	21.4
111.08060	9.4
112.05835	1.9
113.05987	2.4
114.14231	1.8
117.07007	2.2
119.08556	32.2
121.06474	1.8
121.10102	20.3
123.11679	9.1
125.09578	3.5
129.07008	11.4
131.08562	10.5
133.06490	1.8
133.10117	20.2
135.11690	2.6
137.09532	2.0
142.07816	3.0
147.11642	15.3
149.09599	9.3
157.10107	15.4
161.13272	1.9
163.14812	2.4
175.11185	18.2
177.16214	1.6
193.12239	37.9
209.54842	1.8
211.13239	46.7
267.15866	15.9
285.16888	61.4
337.27328	56.9
338.27576	2.0
346.47119	1.8
449.11313	1.8
450.35953	2.1
482.05093	1.7
489.35815	2.2
529.39240	11.8
547.39844	100.0
548.39941	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	744.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
53.97242	0.3
55.01843	2.1
55.05484	2.3
56.37648	0.4
57.03175	0.5
57.03427	10.0
59.04979	1.1
61.02912	3.3
67.05487	8.4
69.03412	34.1
69.07040	1.8
71.04970	1.1
73.02875	2.0
75.04458	0.8
79.05473	8.8
81.03397	5.1
81.07032	13.6
83.04949	0.6
83.08598	4.3
85.02882	46.0
87.03928	0.8
87.04443	16.8
91.05453	12.3
93.07018	13.3
95.04955	3.6
95.08578	12.2
97.02253	0.9
97.02866	26.7
97.06479	0.6
99.04403	2.4
103.03924	0.7
105.03363	2.1
105.04494	0.5
105.07005	21.4
107.04913	0.9
107.08582	15.6
109.02853	6.6
109.06477	1.7
109.10133	8.4
111.04466	0.5
111.08036	0.5
113.05940	0.5
113.12253	0.5
115.03897	18.5
115.05405	0.6
117.06993	7.0
119.04927	1.0
119.08552	14.6
121.02850	0.7
121.06455	2.8
121.10104	10.0
123.04403	2.0
123.08011	1.0
123.11692	0.5
125.02284	0.6
125.05952	7.0
127.03885	6.8
128.06171	1.9
129.06975	7.1
131.08537	14.4
133.02823	0.9
133.04926	12.1
133.06480	1.6
133.10094	13.4
135.04407	0.9
135.08028	0.8
135.11667	7.4
137.05949	1.8
139.03868	0.9
139.07526	0.6
141.05443	0.5
141.06969	2.6
142.07761	0.7
143.08539	13.0
144.09282	0.7
145.02817	0.9
145.04866	5.0
145.06465	1.8
145.10101	14.3
147.04370	0.9
147.08031	3.0
147.11655	12.8
149.05948	2.0
149.09586	0.8
149.13226	4.8
151.07521	0.6
153.05423	3.7
155.07170	0.7
155.08490	6.9
156.09314	0.6
157.06447	0.8
157.10103	10.1
159.08031	2.3
159.11652	16.3
161.05882	1.8
161.09572	1.1
161.13216	13.7
163.03853	0.9
163.05980	2.0
163.07494	3.3
163.11115	1.1
165.05428	6.9
165.06737	0.8
165.09074	0.5
167.07108	0.6
167.08533	1.1
168.09311	0.9
169.10086	5.8
171.08022	2.4
171.11615	4.8
173.09622	1.8
173.13202	4.8
175.07484	9.6
175.11209	0.5
175.14806	2.4
177.05460	2.2
177.09004	3.3
179.08475	0.8
180.09329	0.8
181.08612	0.7
181.10078	7.1
182.10867	0.6
183.08009	0.6
183.11649	9.9
185.09549	2.1
185.13203	5.4
187.07466	2.9
187.11160	0.4
187.14774	3.9
189.09030	4.6
189.12682	0.5
189.16362	3.2
191.10689	0.7
193.04861	0.5
193.08478	1.0
193.10123	0.9
195.11661	6.0
196.12444	0.7
197.09512	1.0
197.13185	5.8
199.11174	2.4
199.13203	0.7
199.14778	5.5
201.05365	0.6
201.09108	2.6
201.12802	0.5
201.16382	2.2
203.10674	3.6
207.11630	1.8
209.09685	3.4
209.13237	4.8
211.11098	3.3
211.14732	3.7
213.09021	0.8
213.12695	0.7
213.16365	2.9
215.10620	1.1
215.14175	0.7
215.17871	5.1
217.12201	1.7
221.13258	2.2
223.11150	0.9
223.14722	3.1
225.12666	1.0
225.16339	2.1
227.10587	11.2
227.14165	0.7
228.87202	0.5
229.12173	10.2
229.15746	0.8
231.13736	1.0
231.17499	0.6
235.14807	4.4
237.12674	0.9
237.16383	0.7
239.14297	0.7
241.07106	0.7
241.12106	4.7
243.13736	3.4
247.13199	1.1
249.16313	2.6
251.17902	2.5
253.19452	4.1
255.13715	5.3
259.07880	0.6
259.13071	0.5
263.14490	0.5
263.17828	0.7
265.19327	0.6
267.17352	0.5
269.15210	1.1
277.16479	0.6
277.19412	4.2
281.15381	1.9
281.22604	0.6
291.20963	6.5
293.22437	1.4
295.09995	0.7
295.16992	1.0
295.20364	0.7
301.19397	0.9
309.18799	0.7
309.22031	5.1
319.20444	8.3
325.10638	0.7
327.23267	0.7
337.21533	71.5
338.21848	0.6
355.22586	79.7
356.22845	0.8
373.23624	100.0
374.23962	2.1
397.23523	1.0
415.24719	6.2
433.25705	28.0
457.20627	0.5
517.27551	3.2
535.28857	2.3
744.40942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.9
55.61724	1.1
57.03417	7.2
59.04968	1.6
61.02907	1.1
63.78677	0.9
67.05508	10.8
69.03413	17.3
69.07044	2.6
71.04974	1.4
74.27307	1.1
75.04436	1.2
79.05483	9.7
81.03393	5.3
81.07040	23.6
83.04988	1.5
83.08609	4.7
85.02893	18.9
85.06538	1.5
87.04446	8.3
91.05457	14.3
93.07027	13.1
95.04935	5.4
95.08584	14.2
97.02870	13.4
97.06510	1.7
103.05444	1.6
105.07001	20.6
107.04955	1.4
107.08555	17.4
109.02878	2.1
109.06532	1.4
109.10095	9.5
111.04426	1.5
115.03893	5.6
117.06985	6.3
119.08573	13.4
121.06475	2.3
121.10094	6.4
123.04364	2.1
125.05968	5.6
126.88000	1.1
127.03876	1.7
129.06993	8.5
131.04897	1.2
131.08540	16.9
133.04929	4.1
133.06448	1.7
133.10100	13.5
135.04391	1.8
135.11676	5.5
137.05927	6.6
141.06979	2.1
143.08577	10.8
145.02821	2.3
145.10092	13.8
147.04399	2.5
147.08029	2.9
147.11632	10.7
149.13200	5.0
153.05469	1.5
155.08507	5.5
157.06487	2.0
157.10100	11.0
159.08134	1.5
159.11668	12.1
161.05995	1.6
161.09572	1.9
161.13248	9.5
163.03914	4.5
163.07515	2.4
165.05458	2.9
165.09016	1.9
167.06999	9.6
167.08363	1.7
169.10085	7.6
171.11655	7.1
173.09587	2.2
173.13249	2.5
175.07504	18.5
175.14807	2.8
177.05385	2.1
177.08974	1.5
179.06898	1.6
181.04926	7.1
181.10095	6.4
183.11653	10.8
185.09589	1.5
185.13229	7.4
187.07593	1.9
187.14825	2.0
189.09015	2.4
193.08446	2.0
195.11670	7.1
197.13268	5.6
199.11243	1.5
199.14740	4.9
201.09102	1.3
201.16393	4.4
207.11696	1.9
209.09648	2.5
209.13156	8.5
211.14813	6.0
215.10649	1.8
215.17973	8.2
221.13223	2.5
223.11134	2.0
223.14653	2.8
225.12587	1.5
225.16380	1.6
227.10651	11.7
229.12086	8.6
235.14816	2.8
241.12173	4.4
243.13734	4.4
251.17903	4.7
253.15749	1.3
253.19537	5.9
255.13763	8.9
261.41302	1.2
263.17868	1.4
269.15195	1.4
273.14661	1.5
277.19373	4.2
281.15253	5.6
291.20908	10.7
295.16788	4.6
301.19135	1.6
309.21936	1.8
319.20505	9.9
337.21548	100.0
338.22043	2.1
343.99026	1.2
355.22571	68.6
355.27026	2.3
373.23642	81.3
374.24142	1.7
397.23135	1.6
415.24701	6.2
433.25763	49.5
517.27850	4.6
744.41406	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	743.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20027	0.3
53.03934	0.5
55.05502	1.8
55.11942	0.4
55.21804	0.4
55.53728	0.4
57.03426	2.9
61.02915	6.5
67.05492	6.3
69.03409	3.4
69.07068	1.9
71.01365	0.4
73.02895	5.0
79.05470	5.6
81.03414	1.1
81.07043	6.7
83.04999	0.4
83.08622	0.8
85.02892	6.1
86.09689	0.9
87.04451	0.4
91.03947	2.9
91.05468	3.8
92.08794	2.3
93.07024	6.5
95.04991	1.6
95.08592	5.5
97.02867	5.4
97.10116	0.4
99.04436	0.9
99.41734	0.5
101.02376	1.8
103.03928	0.5
105.07021	3.4
107.08606	2.5
109.02863	0.7
109.10133	0.9
116.82507	0.5
117.07027	0.5
119.08564	2.2
121.10133	1.8
127.03892	1.6
128.25818	0.4
131.08563	0.5
133.10107	0.7
135.11655	0.8
141.01221	0.4
145.10152	0.8
147.11690	1.8
171.11671	0.6
184.07401	0.9
184.55759	0.4
187.13295	0.5
192.24922	0.5
202.32310	0.5
243.08412	2.9
247.13051	1.0
436.00076	0.5
465.20801	4.4
519.29291	8.1
743.43243	100.0
744.43304	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	742.5825
Annotation	JCer-1
Peak:m/z	Relative Intensity
54.61064	1.0
55.05495	8.6
56.05026	5.3
57.07059	5.0
62.87693	1.1
67.05493	19.2
69.07063	11.1
70.06570	1.6
71.08604	2.4
76.23553	1.0
79.05481	14.7
80.05003	2.5
81.07033	15.9
82.06551	7.2
83.08595	7.0
85.02902	1.8
91.05458	12.1
93.07018	11.5
94.06554	20.8
95.04964	1.3
95.07330	11.2
95.08585	12.5
96.08102	6.8
97.10171	1.9
105.07021	7.2
107.08566	5.3
108.08106	4.9
109.10146	5.5
119.08537	8.9
121.10110	5.4
121.62698	1.1
122.09643	2.7
123.11679	1.2
133.10123	5.1
135.11664	2.2
135.55287	1.2
147.11681	1.4
175.09776	1.2
205.02161	1.5
233.22668	1.9
242.22740	1.2
245.22586	2.2
250.25208	6.9
257.95255	1.2
262.25244	100.0
280.26297	9.4
300.28894	2.6
321.20743	1.3
346.37476	1.3
532.50397	5.1
544.50793	33.3
546.51788	2.6
562.51880	28.1
684.79010	1.5
724.56689	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
54.81857	4.2
55.01866	5.7
55.05502	49.7
57.03418	26.6
61.02888	6.1
67.05492	50.1
69.07052	30.5
71.04943	5.5
79.05474	42.6
81.03387	18.7
81.07034	76.7
83.01341	11.4
83.04940	16.4
83.08594	24.5
83.09037	3.7
85.02869	13.6
91.05449	27.7
93.07014	55.9
95.04961	6.6
95.08585	46.3
97.02829	5.9
97.10113	5.1
100.68298	3.4
105.07011	22.3
107.04908	4.5
107.08546	31.4
109.06498	6.8
109.10114	13.6
117.07005	3.7
119.08535	20.9
121.10104	16.4
123.08059	4.3
123.11746	3.9
133.10088	7.4
135.11664	17.1
145.10104	26.6
147.07990	3.9
163.11147	25.4
170.18945	3.2
209.11742	5.3
209.68816	3.3
227.12608	3.9
283.15317	100.0
335.30441	4.0
337.27271	73.9
412.90063	4.0
413.21109	3.3
545.38190	55.7
573.22137	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01865	4.0
55.05264	1.3
55.05504	21.3
57.03428	20.6
57.07056	0.9
61.02903	4.3
63.62238	0.8
67.05137	2.0
67.05490	49.0
69.03421	2.0
69.07049	13.0
71.04987	2.3
76.56163	1.0
79.05476	41.8
81.02926	2.0
81.03397	49.7
81.07037	53.0
83.04960	12.3
83.08596	20.2
85.02888	22.1
85.06554	0.9
91.05462	29.8
93.07021	39.5
95.04943	24.4
95.08582	32.9
97.02885	1.8
97.06525	4.5
97.10123	3.9
105.07005	22.9
106.31673	1.0
107.04942	4.3
107.08581	18.4
109.06490	4.3
109.10137	12.7
111.04420	2.0
111.08043	7.5
117.07005	5.7
119.08543	19.3
119.20164	0.9
120.07443	1.1
121.10113	18.2
123.08036	1.6
123.11637	3.6
129.06967	6.1
131.08513	13.8
133.06427	1.1
133.10109	12.0
135.11662	7.5
137.09612	1.4
142.07779	1.3
145.10110	4.4
147.07976	1.5
147.11673	13.8
149.09596	4.9
149.13243	1.9
157.10104	9.9
173.13231	1.4
175.11121	10.9
187.14734	1.3
193.12204	25.5
200.74925	1.0
204.95219	1.0
211.13264	27.1
231.13329	1.2
237.38126	1.0
261.22086	6.1
267.15820	4.4
285.16949	24.0
335.25717	49.2
336.25787	1.5
527.36957	9.4
545.38239	100.0
546.38745	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.9
55.05503	29.1
57.03420	13.3
57.39941	2.6
65.41054	2.2
67.05493	49.5
69.07053	24.0
71.08628	2.3
79.05478	34.6
81.03387	5.3
81.07033	69.6
82.83707	2.6
83.04943	3.1
83.08597	25.2
83.84251	2.3
85.02886	2.8
90.53232	2.6
91.05448	21.4
93.07008	42.3
95.04929	5.8
95.08575	69.4
97.02850	4.1
97.06522	5.3
97.10165	2.6
98.03347	2.7
99.04390	2.8
99.37260	2.7
105.06998	16.4
107.04923	5.3
107.08570	35.3
109.10128	14.0
111.08046	3.7
117.06963	6.3
119.08569	20.4
121.10098	17.1
123.11629	4.7
125.05939	3.2
133.10110	4.5
135.11678	44.8
145.10048	24.7
145.87343	2.6
147.11649	3.0
163.11154	53.5
165.74318	2.9
174.52835	3.0
181.12198	6.8
189.99750	3.0
227.12746	45.4
283.15302	31.1
285.16867	3.0
292.55292	2.8
335.25955	4.6
337.27298	100.0
493.33063	3.3
493.40057	3.6
545.38275	99.3
582.88873	3.5
748.15356	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	12.1
55.05503	51.9
57.03208	2.5
57.03428	35.0
57.07055	12.3
61.02909	6.7
64.32981	2.8
67.05489	95.4
69.07053	39.2
71.04962	5.1
71.08595	3.1
79.05473	55.6
81.03397	15.3
81.07036	89.9
83.01320	6.2
83.04945	20.7
83.08617	27.9
83.64496	3.3
84.52988	3.0
85.02887	14.2
87.11073	2.9
91.05470	32.0
93.07008	55.4
95.04958	12.2
95.08589	64.0
97.02874	6.0
97.06490	6.6
97.10117	10.8
105.07014	27.1
107.04974	5.3
107.08573	24.9
109.06464	6.8
109.10141	24.3
109.67502	2.7
117.06989	12.0
119.08528	19.0
121.10106	19.0
123.08015	15.3
123.11688	4.2
131.08537	5.0
133.10136	11.1
135.11681	15.4
137.09595	3.1
145.10080	17.8
147.11574	3.3
153.12685	3.3
161.13177	4.9
163.11139	22.6
169.81334	2.8
209.11769	3.5
267.15799	4.5
268.95490	3.1
283.15353	72.1
335.25717	6.3
337.27261	93.1
346.69281	3.4
527.37122	4.0
545.30371	4.4
545.38226	100.0
742.43402	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
55.01852	2.8
55.05262	1.8
55.05509	33.3
57.03433	28.0
57.07056	1.4
59.04974	1.6
61.02908	8.9
64.33375	1.5
65.03899	2.1
67.05496	78.0
69.03418	6.2
69.06758	1.3
69.07056	20.9
71.04971	7.8
73.02885	1.2
79.05474	60.5
81.03405	76.7
81.07042	75.5
81.07392	1.2
82.07360	1.4
83.04969	23.7
83.08179	1.8
83.08612	29.3
85.02896	36.9
85.06534	2.9
91.03944	2.4
91.05463	50.7
92.09327	2.6
93.07024	61.3
95.04390	2.3
95.04949	40.0
95.08003	2.7
95.08589	52.6
97.02858	5.6
97.06499	6.7
97.10149	5.9
99.08084	1.4
100.92508	1.4
105.04482	2.1
105.06346	2.5
105.07017	41.1
107.04937	7.9
107.08572	28.2
109.06501	10.5
109.10155	21.2
111.04453	2.5
111.08076	12.7
111.55824	1.7
117.06974	5.3
119.08566	31.1
121.10128	27.3
123.08049	6.0
123.11694	5.6
125.09593	1.9
129.06995	14.0
131.08551	23.0
133.06491	3.3
133.10130	21.2
135.11664	11.6
142.07767	3.1
145.10094	9.4
147.08051	1.8
147.11688	18.5
149.09607	7.1
149.13222	6.1
157.10107	19.0
159.11650	1.7
161.13173	2.3
163.11192	2.0
173.13179	1.6
173.56335	1.3
175.11168	17.9
193.10472	2.1
193.12222	49.1
211.13266	59.5
240.54083	1.5
261.22049	6.9
267.15845	10.3
285.16891	63.8
335.25745	65.7
336.26108	2.2
412.85187	1.7
527.37366	13.4
545.38287	100.0
546.38495	2.6
564.36176	1.5
667.01483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01853	1.9
55.05501	29.1
57.03424	25.3
60.46111	1.9
61.02916	2.6
67.05493	64.2
69.03398	3.9
69.07063	19.1
69.76807	2.0
71.04971	4.3
73.27749	1.6
74.79059	1.8
79.05046	3.5
79.05469	60.3
81.03397	50.8
81.07037	84.3
83.04985	16.2
83.08603	24.0
85.02879	28.4
91.05457	51.5
93.06496	2.4
93.07030	53.6
95.04932	23.8
95.08582	41.3
97.02859	4.2
97.06491	2.8
97.10136	3.2
105.07009	32.7
107.04934	4.5
107.08581	28.9
109.06506	3.1
109.10116	14.7
111.08026	8.8
117.06992	7.5
119.08543	31.4
121.06480	2.2
121.10108	25.4
123.08054	2.6
123.11654	2.7
126.39909	2.0
129.06981	8.1
129.77821	1.9
130.24454	1.8
131.08521	22.4
133.10101	23.0
135.11652	13.2
142.07671	2.2
145.10114	9.8
147.11642	17.0
149.09601	4.5
157.10031	15.2
159.11630	2.6
173.13190	8.0
175.11110	14.5
180.72314	2.1
193.12167	34.7
211.13254	28.8
261.22098	4.2
267.15799	13.0
285.16910	39.1
335.21869	3.7
335.25732	67.0
527.37109	11.3
545.38269	100.0
575.45117	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	742.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01858	1.3
55.05504	2.4
56.48344	0.5
57.03425	5.7
57.07073	5.2
59.04993	2.3
61.02916	3.6
65.03921	1.2
67.05138	0.9
67.05492	22.9
69.03417	100.0
69.07058	2.1
71.01314	0.9
71.04974	13.0
72.27235	0.5
73.02897	3.2
75.04453	1.2
75.31049	0.4
76.57258	0.5
79.05473	6.4
81.03423	3.9
81.07042	7.3
83.04967	3.2
83.08614	2.0
85.02892	38.2
85.06528	16.7
87.04460	3.6
87.61686	0.5
91.03941	2.2
91.05460	4.0
93.07011	5.3
95.04946	31.2
95.08567	4.9
97.02888	9.4
97.06509	10.6
99.04437	3.0
105.07018	6.1
107.04982	0.6
107.08550	4.1
108.23833	0.4
109.02877	3.1
109.06537	0.8
109.10182	3.6
111.04453	1.1
113.05993	58.0
115.03964	0.6
117.07010	1.3
119.08563	3.2
121.06500	0.9
121.10137	4.1
125.05975	0.7
127.03895	8.1
129.07005	1.1
131.07021	35.9
131.08470	4.5
133.06491	0.8
133.10132	3.2
135.08099	0.5
135.11696	3.4
137.06001	0.7
143.08542	3.6
145.02864	0.6
145.04958	9.9
145.10130	4.5
147.11713	3.0
149.13251	1.3
155.08524	1.1
157.10043	3.6
159.08000	0.5
159.11644	5.7
161.09639	0.6
161.13246	4.2
163.03958	0.7
163.06038	2.2
163.07494	0.7
167.07150	0.6
167.08594	0.8
169.10135	2.4
171.11737	2.0
173.13200	0.7
175.07520	3.6
175.14810	1.1
177.05469	0.9
177.09229	0.5
181.04897	0.5
181.10089	1.1
183.11705	1.9
185.13266	2.1
187.14752	0.9
189.09067	0.6
193.08578	0.8
195.11731	1.2
197.13277	1.0
199.14844	2.1
201.16469	0.6
203.10724	1.0
209.09653	0.6
209.13345	1.1
211.11288	0.6
211.14847	0.6
213.16435	1.9
215.10710	0.8
215.17958	0.9
227.10713	3.3
229.12337	2.7
241.12080	0.9
245.15466	0.8
249.11264	0.9
255.13770	1.3
277.19492	0.7
281.15524	0.7
291.21121	2.6
309.22037	2.0
310.62732	0.6
319.20682	3.0
337.21548	21.4
355.22623	22.9
373.23654	37.2
415.24991	1.0
433.25797	10.9
433.31186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01845	0.1
57.03426	0.2
62.24836	0.1
65.03915	0.5
66.41618	0.1
67.91983	0.1
69.03414	1.8
71.04961	0.2
73.02905	0.1
73.18702	0.1
81.02928	0.2
81.03397	3.2
81.07044	0.1
85.02885	1.5
87.04442	0.2
88.25314	0.1
91.05461	4.4
93.06989	0.4
95.08585	0.2
97.02860	1.4
98.97549	0.1
99.04424	0.2
107.04900	0.1
109.02882	1.8
109.10182	0.2
115.03948	0.2
119.04916	17.1
121.10159	0.1
127.03893	0.5
133.10072	0.1
137.05963	0.5
145.04962	0.2
147.04385	100.0
148.04716	0.9
158.30199	0.1
159.07982	0.1
165.05432	4.9
167.07030	0.5
177.05391	0.4
181.73273	0.1
192.67050	0.1
213.89293	0.1
221.08260	0.1
261.07742	0.1
279.08514	0.1
291.08551	3.6
309.09616	8.2
335.25699	0.1
336.38626	0.1
354.96262	0.1
381.23569	0.1
471.14880	0.1
587.84192	0.1
742.26782	0.1
742.39813	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	742.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01862	0.2
55.05478	0.4
56.15741	0.2
57.03416	0.7
65.03923	0.6
67.05481	1.2
68.09328	0.3
69.03411	1.9
69.07041	0.3
71.04940	0.2
75.04478	0.3
79.05465	1.1
81.03384	2.2
81.07027	1.6
85.02881	2.9
86.09667	0.3
87.04430	0.6
91.05463	6.8
93.07022	1.2
95.04941	1.0
95.08583	0.3
97.02861	1.6
99.04412	0.5
105.06999	1.5
107.04919	0.5
107.08594	1.1
109.02867	0.6
109.10130	0.4
117.03346	0.3
117.05469	1.8
119.04917	21.9
119.08514	0.5
121.10102	0.3
123.04363	0.4
127.03878	0.4
131.08595	0.3
133.06534	0.3
133.10066	0.3
135.04343	0.4
135.11618	0.4
137.05928	0.4
145.02837	0.5
145.04816	0.3
145.06468	0.4
147.04385	100.0
148.04732	0.4
161.05893	0.3
163.03865	2.8
165.05424	1.2
167.07016	1.2
171.04306	0.6
173.05986	0.7
175.14827	0.3
177.05449	1.1
189.05440	1.1
190.06300	0.5
205.08585	1.1
221.08041	3.5
237.92755	0.3
265.10724	0.3
291.08612	0.4
309.09613	4.5
742.39819	1.2
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
53.00316	0.7
53.03936	3.0
55.01863	5.5
55.05502	26.8
57.03426	18.8
57.07053	1.7
59.66411	0.6
61.02903	2.8
65.03926	3.4
67.05491	74.2
69.03407	3.5
69.07050	24.7
71.04974	4.2
73.02888	3.2
79.05471	68.9
81.03404	2.9
81.07037	76.7
83.04952	8.9
83.08610	18.0
85.02893	3.2
85.06510	1.6
85.09589	0.6
91.05460	29.7
92.08657	2.3
93.06410	1.5
93.07023	98.2
95.04945	15.3
95.08581	100.0
97.02858	7.5
97.06506	7.2
97.10126	1.0
99.04432	7.8
103.05426	0.7
105.04484	0.8
105.07018	24.3
107.04937	15.7
107.08578	70.5
109.06504	4.0
109.10142	17.2
111.04417	2.8
111.08031	2.7
113.09735	0.6
117.06995	19.0
119.08559	23.6
121.06500	9.0
121.10117	32.9
123.08022	1.5
123.11669	4.1
125.05978	5.3
127.07520	0.9
130.07767	3.8
131.08527	7.2
133.10120	11.5
133.98102	0.6
135.08029	4.5
135.11667	93.2
135.27690	0.8
136.12029	1.1
139.07536	3.6
143.08553	3.0
145.10100	52.1
147.11678	3.4
149.13216	4.3
153.12746	1.4
159.11627	3.1
161.13188	4.2
163.11145	98.3
163.14796	1.5
164.11491	1.0
173.09579	1.4
173.13208	2.9
181.12212	15.4
181.60028	0.6
187.14761	1.2
196.43738	0.6
227.12738	85.1
240.61632	0.8
243.21106	1.6
261.22083	7.6
283.15341	89.4
284.15796	1.0
335.25735	94.9
336.26212	0.8
474.40845	0.7
510.14502	0.8
543.36700	87.9
544.36890	4.1
561.37683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	1.6
53.03894	1.6
55.01863	3.5
55.05502	20.4
57.03429	14.5
57.07016	2.6
57.07270	0.5
61.02870	1.7
65.03877	1.8
67.05489	54.8
67.06005	1.7
69.03371	2.4
69.07050	16.8
71.04971	3.4
73.02860	1.7
79.05470	49.9
81.03406	2.7
81.07034	54.3
83.01276	0.5
83.04963	4.9
83.08601	12.5
85.02835	1.8
85.06483	1.6
91.03854	0.5
91.05457	18.6
93.07018	68.6
93.07906	2.0
95.04945	9.1
95.08580	65.7
97.02876	4.4
97.06499	5.3
97.10091	2.3
99.04420	5.0
99.08011	0.5
103.05386	0.6
105.04486	0.4
105.07008	14.0
107.04932	7.8
107.08573	43.8
109.06516	3.5
109.10138	13.5
111.04377	1.6
111.08023	1.7
113.05953	0.4
117.06995	12.1
118.07294	0.4
119.08553	15.3
121.05663	0.5
121.06458	6.3
121.10116	23.0
123.08000	0.6
123.11694	3.0
125.05979	3.1
125.09590	0.6
130.07716	1.8
131.08536	5.7
133.10100	8.3
135.07983	2.5
135.11664	54.1
137.13199	1.4
139.07471	1.9
139.11087	0.5
143.08476	1.5
145.10098	31.9
147.11659	2.8
149.13245	3.1
153.12662	0.5
155.08501	0.4
159.11592	2.1
161.13161	2.3
163.11140	56.9
164.11533	0.5
173.09526	0.8
173.13239	1.3
175.14752	0.7
181.12198	8.4
187.14752	0.4
209.11790	0.5
227.12732	51.0
228.13112	0.5
233.11240	0.4
243.20937	2.5
261.22058	6.2
283.15323	42.3
284.15555	0.5
317.24725	2.1
327.64774	0.4
335.25720	100.0
336.26056	2.5
423.31021	0.4
543.36694	85.8
544.36993	2.8
561.36420	0.6
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
53.03933	1.9
55.01860	15.9
55.05507	40.2
57.03428	26.4
57.07048	1.9
61.02911	4.9
62.80366	2.3
67.05495	65.4
69.07063	14.8
71.04977	3.7
73.02903	2.4
79.05472	60.7
79.05900	4.1
81.03398	14.6
81.07035	69.2
83.01329	14.6
83.04972	21.0
83.08606	25.3
85.02898	13.1
88.49654	2.0
89.30144	2.3
91.05468	33.4
93.07023	75.6
94.14368	2.2
95.04958	8.2
95.08582	49.6
97.02892	9.7
97.06498	9.7
97.10154	4.2
99.04398	3.0
105.07018	24.0
107.04932	10.3
107.08566	48.3
109.06493	9.4
109.10149	26.5
111.04418	3.4
117.07005	11.6
119.08539	22.5
121.10117	21.4
123.08038	9.4
125.09647	3.8
131.08556	14.4
133.10109	13.5
134.41312	2.4
135.08070	2.6
135.11673	21.5
136.05669	2.4
145.10109	26.0
147.11694	3.2
149.13243	3.8
159.11667	4.0
161.13290	2.9
163.11105	25.9
171.11302	2.1
173.09631	3.9
181.12195	3.3
209.11679	5.0
212.11391	2.0
227.12775	9.6
231.08478	2.3
261.22055	13.7
283.12225	4.0
283.15341	100.0
283.18320	4.3
299.23926	2.7
317.24725	2.6
335.25723	71.7
515.94647	2.5
543.36725	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
54.33986	2.1
55.01857	16.8
55.05500	37.8
57.03427	29.8
57.07054	3.0
61.02896	9.1
61.74274	2.2
64.10841	2.2
67.05486	74.0
67.69162	2.0
68.29523	2.2
69.03407	4.2
69.07054	18.5
71.04961	3.7
71.50347	2.9
72.85271	2.2
72.93288	2.4
73.02892	3.5
76.56754	2.3
79.05473	78.7
81.03391	17.3
81.07035	76.5
83.01316	12.5
83.04961	18.5
83.08613	24.1
85.02876	11.5
91.05460	41.9
93.07017	86.6
95.04944	19.4
95.08575	60.7
97.02855	10.6
97.06494	11.2
97.10146	3.9
102.44391	2.5
105.07009	28.6
105.81117	2.7
107.04933	9.9
107.08574	45.1
107.92310	2.3
109.06477	13.5
109.10144	19.2
111.08021	3.2
117.06970	21.3
119.08551	25.8
121.06458	4.8
121.10136	29.4
123.08041	13.7
123.11710	4.5
131.08517	24.0
133.10106	14.8
134.84155	2.5
135.11659	29.1
145.10115	30.3
149.13220	12.5
149.56435	2.3
153.12657	4.7
155.08505	3.0
159.11620	3.3
163.11143	28.6
166.10376	2.3
173.09531	2.8
173.13242	8.2
181.12199	4.1
191.10628	3.2
193.12190	3.0
209.11644	5.0
213.15805	2.4
243.21063	5.4
247.32964	2.6
261.22107	19.9
283.15338	94.7
294.35526	2.5
335.25702	100.0
431.27426	3.4
451.32297	3.0
525.35718	4.7
543.36719	78.0
561.37189	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	738.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
53.47313	0.5
54.81707	0.4
55.01861	0.5
55.05502	18.2
57.03218	0.4
57.03425	8.1
57.07054	1.2
59.79847	0.5
61.02887	0.7
63.43099	0.6
65.03925	0.9
67.05489	52.3
69.03403	1.2
69.07053	13.4
71.04945	1.9
73.06558	0.6
79.05472	57.9
81.03404	4.8
81.07035	45.4
83.04965	7.8
83.08591	4.7
84.85711	0.5
85.06509	0.9
90.36991	0.7
91.04882	0.8
91.05458	39.5
92.08993	4.8
93.07018	64.0
95.04941	12.3
95.08582	38.2
95.09201	1.2
97.02863	0.8
97.06486	4.3
97.10129	1.1
105.04516	0.9
105.07008	28.0
107.04969	3.8
107.08571	20.1
109.06494	4.9
109.10139	10.2
115.05446	0.8
117.06989	6.8
117.35449	0.5
119.08555	19.9
121.06458	1.3
121.10136	11.8
123.08028	3.5
123.11616	2.3
128.06212	1.1
129.06967	8.5
131.08540	6.3
133.10106	9.4
135.11653	7.4
143.08575	4.6
143.48647	0.5
145.10127	6.8
147.08095	0.7
147.11662	22.1
149.13240	2.6
156.09314	1.3
159.11667	2.6
160.59816	0.6
161.09592	2.3
161.13223	7.3
163.11118	0.6
171.11629	13.4
173.13280	2.4
175.14780	0.6
176.26190	0.6
187.14783	0.7
189.12695	3.7
207.13754	8.0
244.35396	0.6
261.22021	4.3
279.15900	0.8
281.17429	25.2
317.24789	0.9
326.81699	0.5
335.25732	39.3
541.38770	100.0
542.39160	1.3
559.39801	1.2
680.73047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
55.01851	0.4
55.05486	0.4
57.03426	3.5
57.07065	6.8
59.04713	0.4
59.04988	8.1
65.03922	1.4
67.05489	32.4
69.03413	57.4
69.07047	1.4
71.04973	26.0
73.06514	0.6
75.04459	0.4
79.05483	2.2
81.07012	2.6
83.04956	2.3
85.06524	28.3
86.06010	0.4
86.06863	0.4
87.04451	3.6
91.05462	1.5
92.08588	1.3
93.07008	2.0
95.04943	41.0
95.08575	1.6
97.06509	7.4
99.08085	0.6
101.05962	1.3
105.07005	3.2
107.04922	0.3
107.08558	2.6
109.10116	1.3
110.44318	0.4
111.04414	0.4
113.05983	100.0
114.06314	0.5
117.06975	0.4
119.08555	2.2
121.10120	1.3
125.05977	0.4
129.07007	1.4
131.08531	1.5
133.06407	0.3
133.10089	2.0
135.11649	0.7
143.08553	1.4
145.08575	29.8
145.10033	1.5
147.11682	2.7
149.13228	0.4
155.08571	0.7
157.10117	2.1
159.11632	3.0
161.13239	2.3
162.11198	0.6
163.07495	0.7
169.10095	0.7
171.11662	0.8
175.07561	2.0
175.14827	0.3
181.10081	0.4
183.11697	2.1
187.14787	0.4
189.09052	0.7
195.11632	0.5
197.13161	0.6
201.09003	0.4
203.10709	0.7
207.10222	0.4
209.13217	0.6
211.11058	0.5
213.16454	0.4
215.18008	0.8
223.14941	0.4
227.10669	1.7
229.12248	2.2
239.12749	0.6
241.12206	0.7
243.13686	0.7
253.19528	0.7
255.13773	0.5
257.13617	0.6
291.21066	1.6
301.19315	0.4
309.22189	0.8
319.20551	2.1
337.21561	14.0
355.22537	14.0
373.23645	25.2
374.24057	0.5
433.25748	15.5
501.48157	0.4
517.31720	0.6
638.30200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50858	0.2
52.80789	0.3
55.05506	0.6
57.03424	3.9
57.07064	5.8
59.04986	12.9
65.03925	1.6
66.73942	0.3
67.05488	25.7
69.03411	16.6
69.07057	0.6
71.04970	20.3
73.06538	0.5
75.04449	0.7
79.05466	1.8
80.74747	0.3
81.07033	2.7
83.04967	2.3
83.08591	0.5
85.06524	24.7
87.04449	6.1
91.05446	1.8
92.08755	1.4
92.09364	0.5
93.07042	2.1
95.04941	40.7
95.08587	0.8
97.06499	3.4
99.08118	0.3
101.05980	1.6
105.06997	2.4
107.08573	3.0
109.06519	0.4
109.10144	1.4
111.04380	0.3
112.07584	0.6
113.05981	100.0
117.06969	0.6
119.08537	1.8
121.06487	0.3
121.10116	1.6
127.07499	0.7
129.06975	0.7
131.08528	1.6
133.10106	1.9
135.07951	0.4
135.11673	1.4
143.08554	1.5
145.08571	33.2
145.10014	1.3
147.07971	0.6
147.11652	2.0
149.13211	0.6
155.08495	0.5
157.10088	1.6
159.11661	2.8
161.09662	0.3
161.13203	2.5
162.11179	3.1
169.10085	0.6
171.11642	1.4
173.13174	0.4
175.07414	2.5
175.14810	0.4
177.09048	0.3
181.10139	0.7
183.11679	1.7
185.13213	0.7
189.09071	0.6
195.11774	0.5
197.13206	1.5
199.11153	0.3
199.14809	0.7
203.65950	0.4
209.13150	0.7
210.25671	0.3
213.16408	0.4
215.10680	0.7
215.17921	1.4
221.13095	0.5
227.10605	2.0
229.12236	2.0
235.14571	0.3
241.12108	1.2
251.18047	0.4
253.19368	0.5
255.13736	1.6
269.21603	0.3
291.21008	1.5
309.21948	0.5
319.20566	2.1
337.21524	16.4
346.54517	0.3
355.22574	15.8
373.23624	26.6
374.23938	0.3
433.25745	15.3
434.26047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57923	0.5
55.01862	0.9
55.05495	0.9
57.03421	3.1
59.04979	0.5
65.03904	0.7
65.54676	0.5
67.05487	3.6
68.05788	0.7
69.03402	4.0
69.07034	1.0
69.80672	0.5
70.06590	0.9
72.12969	0.6
79.05476	3.3
81.03389	2.7
81.07016	4.7
82.03801	0.5
82.07339	0.7
83.04950	1.1
85.02896	4.5
87.04444	0.8
88.78249	0.6
89.03873	1.2
91.05457	10.8
92.09036	3.6
93.07011	3.1
94.04158	2.4
95.04948	3.5
95.08556	4.3
97.02866	3.3
97.06487	0.7
99.08052	0.7
103.05430	6.1
105.07004	6.3
107.04939	2.6
107.08572	2.2
109.02843	2.3
109.06500	2.9
109.10172	1.4
111.04448	0.8
111.08020	0.7
115.05417	2.3
117.03343	1.0
117.05473	4.8
117.06996	1.5
118.05762	0.7
119.04910	11.3
119.08532	2.2
119.78474	0.5
121.06494	1.3
121.10131	1.4
122.03645	5.7
123.04388	1.0
125.05972	1.1
127.03876	1.2
128.06192	1.4
129.06990	6.6
131.04883	9.2
131.08536	6.7
133.02812	8.5
133.06487	4.6
133.10117	0.6
135.04396	0.7
135.07996	0.9
137.05945	77.9
137.09596	2.8
138.06306	0.9
139.11136	0.6
141.06960	2.9
143.08514	0.9
144.05673	1.5
145.02811	6.4
145.06453	1.5
145.10098	0.9
147.04378	10.4
147.07968	0.7
149.05956	8.3
150.06712	0.7
151.03889	10.0
151.07518	8.6
153.05533	0.6
153.07002	2.3
155.08531	3.7
157.06483	3.7
158.07248	3.3
159.08018	8.5
159.11639	0.6
160.05092	0.8
161.05937	10.6
161.09534	3.2
162.06758	0.6
163.07495	5.4
165.05598	0.7
165.06902	2.0
165.09093	1.3
167.07043	8.3
167.08408	1.1
169.06407	2.6
170.07216	1.0
171.07907	4.1
171.11649	0.9
172.05161	1.3
172.08788	1.3
173.09634	2.4
174.06734	4.8
175.07498	6.4
175.11081	0.8
177.05397	10.6
179.07039	1.4
181.04912	2.4
181.06400	1.0
182.07201	2.9
183.08061	2.4
184.08849	0.7
185.05904	0.8
185.09552	5.0
186.06734	2.3
187.07495	7.7
187.11128	1.2
189.09106	8.0
191.06975	3.0
194.07249	1.2
195.08067	1.2
197.09561	4.5
198.06721	8.3
199.07452	6.5
200.08278	1.0
201.09038	6.8
203.08591	0.8
203.10605	0.9
205.08525	0.9
207.06592	1.0
210.06709	1.2
211.07512	3.3
212.08304	3.4
213.09044	16.2
215.08792	0.7
215.10535	6.2
217.08415	1.4
217.10231	1.0
219.08040	2.9
219.10152	9.7
225.09055	7.3
229.24492	0.6
231.07993	0.7
231.10100	0.8
237.08838	0.8
243.10094	17.4
245.09520	2.6
245.11784	1.0
247.07480	1.4
248.08110	0.9
255.10100	2.9
257.09521	0.6
259.07413	1.2
261.08829	0.9
261.11389	1.0
263.06842	0.6
271.07495	0.9
273.11176	28.6
275.10638	1.0
276.07657	0.9
277.08505	2.9
277.12112	1.0
285.09082	1.1
286.23343	0.7
289.08633	0.9
289.12045	1.3
290.09464	0.8
291.09946	5.0
293.11707	1.2
295.09561	0.9
303.10144	3.0
305.11591	2.7
307.09631	3.9
308.10077	0.9
309.10950	0.7
317.11600	3.3
319.09677	1.1
320.10480	0.7
321.11145	4.0
323.12741	1.0
333.10977	0.7
335.12845	4.3
337.14221	1.0
339.11859	0.7
341.13696	1.3
349.14120	4.6
353.13806	2.3
354.14514	3.2
361.14310	0.7
367.15344	16.2
379.15146	7.8
381.17020	0.7
383.14816	0.9
385.16623	0.9
397.16354	100.0
398.16867	2.9
405.28397	1.0
406.28592	1.4
415.17261	1.2
521.21191	0.8
540.81689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46168	1.7
62.44878	2.0
67.05484	2.7
69.39355	2.1
125.43053	2.3
147.26823	2.2
183.58116	2.9
393.15662	2.5
497.71844	2.4
608.30817	2.6
609.48718	3.0
690.08398	2.6
698.83539	3.0
717.51154	2.6
733.39441	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	733.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.6
53.03919	0.9
55.05493	1.2
56.68897	0.7
57.03416	1.5
57.77332	0.6
61.02906	8.2
64.33732	0.7
67.05495	6.7
69.03406	4.7
69.07039	1.8
70.99472	0.8
73.02892	4.7
79.05448	5.3
80.33096	0.7
80.75511	0.7
81.03415	1.0
81.07043	7.1
85.02892	7.3
91.03932	4.3
91.05438	2.8
93.07042	5.8
95.04951	1.0
95.08590	5.9
97.02882	6.5
99.04434	1.1
101.02349	1.3
105.07012	1.2
107.08585	3.5
109.02860	0.7
109.10149	4.7
115.23637	0.7
119.08639	0.8
121.10108	3.0
123.11711	1.0
131.08513	0.9
133.10158	1.4
135.11665	0.8
144.13866	0.9
145.10268	1.0
162.21451	0.8
194.22054	0.7
215.79761	0.7
220.83623	0.7
243.08357	3.0
455.18811	4.7
460.77191	0.8
519.29126	6.7
733.40857	100.0
734.41473	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	732.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	5.1
55.05502	36.1
57.03422	9.7
57.07055	6.2
57.81989	4.7
57.82266	5.7
61.02911	4.9
61.77594	4.1
67.05488	82.9
69.03406	36.9
69.07040	29.7
71.04965	6.1
72.36335	4.5
72.51358	4.7
74.20115	4.3
75.12260	4.5
78.87412	4.2
79.05466	70.9
79.36174	4.6
81.03387	56.3
81.07030	100.0
83.04957	18.8
83.08611	7.6
85.02877	39.9
91.05447	57.2
92.08574	9.3
93.07022	93.9
95.04948	19.0
95.08582	82.1
97.02868	26.2
97.10141	6.7
99.04398	8.4
105.07005	58.3
107.04939	6.4
107.08578	51.7
109.10133	27.7
110.44306	5.1
114.45327	5.4
117.07009	34.9
119.04919	7.5
119.08543	49.8
121.10106	36.4
123.11688	6.7
127.03836	9.0
129.06966	10.6
131.08492	36.3
133.06435	5.2
133.10100	42.8
135.11652	24.5
141.06985	8.0
143.08530	19.9
145.10097	28.5
147.04387	20.3
147.11694	26.2
149.13191	8.2
155.08528	7.7
157.10054	7.8
158.96477	5.0
159.11635	27.5
161.13284	10.1
171.11665	9.4
173.13243	22.1
175.11099	6.3
175.14693	5.6
183.11528	6.0
185.09541	6.1
185.13177	8.2
253.82939	4.9
261.22192	5.6
277.21487	5.4
301.21503	5.9
303.23059	19.1
327.23318	5.7
341.24728	7.9
351.23080	8.8
369.24280	37.3
387.25385	41.1
405.26306	47.8
413.70358	5.4
467.50156	5.1
711.46326	5.7
731.41833	8.3
732.42877	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	731.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09624	1.0
54.82013	1.0
55.05516	2.7
57.03434	1.5
60.71276	1.0
61.02913	8.3
67.05489	13.0
69.03412	2.6
69.07055	2.2
73.02904	5.5
79.05450	4.2
81.03392	1.4
81.07034	7.9
84.14609	1.1
85.02886	5.4
91.03934	2.7
91.05474	5.8
93.07034	6.7
95.08592	7.8
97.02894	5.3
105.06997	1.7
107.08585	3.0
108.87473	1.2
109.10210	1.8
112.40141	1.1
121.10181	1.9
133.10118	1.6
135.11708	2.0
149.13287	1.9
185.04140	1.1
235.13025	1.5
252.06775	1.2
448.83362	1.2
453.20981	4.9
519.29462	9.7
643.42560	1.4
731.43164	100.0
746.51904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05504	5.0
57.03423	3.3
59.04992	4.9
67.05495	7.6
69.03413	2.6
69.07053	3.2
71.04970	1.5
79.05473	7.3
81.03385	1.2
81.07038	17.3
83.04955	6.8
83.08616	3.2
85.02507	0.5
85.02888	25.7
85.06520	11.8
87.04451	70.4
91.05463	8.4
92.08666	0.7
92.10584	0.6
93.07027	13.4
95.04949	2.5
95.08582	14.1
97.02882	1.5
97.06496	2.3
97.10137	1.0
99.04444	4.2
103.53693	0.6
105.07013	20.4
107.04925	0.9
107.08577	19.8
109.06512	1.3
109.10136	9.0
111.04437	6.2
113.06015	1.5
115.07536	0.9
117.03374	1.4
117.07020	5.4
119.04918	0.7
119.08559	14.4
121.06551	0.6
121.10116	14.8
123.04403	0.8
123.08016	0.9
123.11684	2.9
125.05960	2.6
127.03922	0.9
129.05469	3.2
129.07004	3.1
131.08540	10.4
133.06477	0.8
133.10112	18.3
135.08034	2.6
135.11670	10.0
137.05975	3.4
137.09570	1.1
139.07605	0.8
141.06982	1.0
143.07048	3.1
143.08534	7.1
145.02800	3.7
145.06444	0.7
145.10104	20.0
147.08015	1.1
147.11670	21.1
149.05974	1.0
149.09610	2.6
149.13219	7.6
151.03894	8.1
151.05009	1.1
151.07550	1.3
151.11234	0.9
152.04198	1.0
153.05417	1.0
153.09189	0.9
155.07025	4.4
155.08586	0.8
157.10088	7.8
159.08055	0.8
159.11668	18.9
161.09616	1.5
161.13228	14.3
163.07521	1.1
163.11195	0.8
163.14838	1.2
165.09097	0.9
167.07056	2.6
169.10155	4.8
171.11642	5.9
173.13231	9.2
175.11021	1.2
175.14813	4.1
177.05464	4.7
177.09142	2.5
177.12672	0.8
181.10130	1.2
182.05263	0.7
183.11682	5.5
185.13222	8.5
187.14819	6.2
189.08987	0.8
189.12746	1.1
193.12268	0.8
195.11696	1.5
197.13179	6.4
199.14793	5.3
201.05447	0.9
201.12729	0.8
201.16357	3.0
203.10605	1.5
203.14265	0.7
205.12067	4.8
207.11823	0.8
207.13751	2.8
209.13239	2.9
211.14723	4.6
213.16374	3.4
215.14265	0.8
215.17918	1.3
219.13756	2.5
221.13309	1.1
223.14705	4.3
225.16374	2.7
227.14423	0.9
227.18024	0.8
229.12143	3.0
231.13750	3.9
233.15190	0.9
237.16360	3.0
239.14043	0.9
239.17953	1.0
243.13837	4.0
245.15266	2.5
249.16496	0.8
251.17928	3.1
253.19435	3.7
255.21021	25.3
257.15268	4.9
265.19470	0.9
273.21896	0.8
277.19553	5.9
279.21057	23.1
283.16873	2.9
283.24222	0.9
288.18277	0.9
293.22473	5.3
297.18460	1.2
297.21964	1.1
303.21027	3.3
311.23672	3.0
321.21979	7.9
329.24670	0.8
339.23126	100.0
340.23416	3.1
355.16470	0.7
355.22998	0.8
355.27841	0.7
357.24176	64.2
358.24554	1.3
375.25217	77.4
376.25476	1.3
481.15002	0.7
517.31421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11021	1.9
55.05490	8.3
56.57936	1.7
57.07064	51.0
58.40486	1.9
63.17755	1.8
69.07047	4.6
71.08619	37.6
73.02871	2.0
73.06518	4.9
83.08598	8.9
85.10170	17.0
87.04456	10.4
89.03920	2.2
89.06010	100.0
91.70940	2.2
92.08706	4.9
93.07013	3.3
95.08625	2.3
97.10162	2.7
98.70245	2.0
107.07061	2.5
117.09093	3.4
126.26350	2.3
130.87956	2.0
133.08560	30.8
161.01987	1.9
165.63104	2.1
177.11182	17.5
283.17395	2.4
299.29495	4.1
343.32193	4.0
460.31067	2.4
713.53711	11.8
730.56201	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	730.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.44084	0.4
55.01865	1.0
55.05507	9.5
57.03427	6.2
57.07070	0.8
57.36140	0.5
59.04992	8.2
61.02911	1.2
62.84279	0.5
67.05488	5.8
69.03420	8.1
69.07051	0.7
71.04976	7.6
71.59808	0.6
73.02897	1.0
73.06535	1.0
75.04454	1.1
77.06008	2.2
77.98019	0.5
79.05488	3.1
81.03406	2.9
81.07035	6.5
83.04965	24.2
83.08625	0.6
85.02890	59.2
85.06532	40.3
87.04451	100.0
87.83027	0.5
91.05441	4.2
92.09185	2.5
93.07015	4.0
95.04947	2.1
95.08571	4.8
97.02880	5.8
97.06504	2.0
99.04430	10.9
101.05978	2.3
105.07009	8.8
107.04911	0.7
107.08587	8.0
109.02873	2.6
109.06457	0.7
109.10155	2.9
111.03656	0.6
111.04430	18.9
113.05960	3.2
115.07547	5.2
117.05470	2.7
117.07002	2.9
118.33602	0.5
119.04934	0.8
119.08562	4.2
121.06480	2.7
121.10120	3.2
123.08112	0.6
125.05972	1.2
127.03872	4.2
129.05452	14.0
129.07016	2.6
130.78650	0.6
131.08551	5.0
133.10104	4.4
135.08215	0.6
135.11647	4.7
137.05974	0.8
137.09625	1.1
141.06996	0.9
142.07726	0.5
143.07016	11.3
143.08537	3.4
145.02888	0.7
145.04951	0.8
145.10083	6.4
147.04402	1.1
147.11652	4.5
149.05943	1.1
149.13252	1.3
151.07591	0.6
155.08548	2.8
157.10136	4.5
159.11671	7.0
161.08061	2.1
161.13252	0.9
163.11179	0.7
163.14896	0.8
165.09029	0.7
167.07002	3.0
167.08513	1.0
169.10059	2.2
171.11674	2.5
173.05908	0.7
173.13164	1.2
177.05493	2.8
177.09085	0.7
181.10106	2.3
183.11710	2.4
185.09521	0.7
185.13261	2.6
187.14775	1.1
189.16309	1.1
195.11694	1.3
197.13342	2.0
199.11263	0.7
199.14772	1.2
201.09074	0.7
203.10675	2.8
211.14778	1.0
213.16373	1.0
217.12172	1.2
219.10112	0.8
221.62198	0.5
225.16400	0.6
227.10591	4.4
229.12212	3.8
237.07550	1.0
237.12746	0.6
241.12399	0.7
243.13644	0.7
255.08624	1.1
255.13824	1.0
263.14508	0.6
269.15372	0.7
273.09604	2.1
277.19507	0.9
281.15314	0.8
291.21097	2.7
309.22012	1.2
319.20486	3.3
327.23056	0.6
331.19629	0.5
337.21539	23.7
338.21609	0.8
353.21039	0.8
355.22589	16.8
371.22083	2.9
373.23663	28.6
373.28397	0.9
389.23090	2.4
391.24692	44.8
472.40503	0.7
561.89343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05497	10.1
57.03423	12.2
57.07059	3.4
59.04993	14.8
61.02919	2.5
65.03913	3.2
66.70916	1.6
67.05493	44.4
67.41512	1.2
69.03415	29.8
69.07051	7.2
69.67991	1.3
69.81845	1.3
71.04975	28.2
76.55823	1.5
78.68564	1.5
79.05470	18.7
81.03389	8.8
81.07037	22.8
81.58079	1.6
83.04963	12.0
83.08617	3.7
84.20990	1.5
85.02885	28.9
85.06522	29.3
87.04448	20.2
91.05458	21.2
93.07022	26.4
95.04947	49.7
95.08587	18.0
97.02854	12.6
97.06486	12.6
99.04440	2.0
99.08082	2.0
101.05988	3.1
105.07014	39.0
107.04922	7.7
107.08569	41.2
109.02833	3.3
109.06526	2.3
109.10149	16.4
110.18129	1.7
111.04423	8.4
113.05201	3.6
113.05986	100.0
115.05450	2.1
117.03350	2.8
117.06982	13.5
119.08550	24.5
121.06476	7.4
121.10120	17.7
123.04429	3.4
123.08047	7.4
125.09643	1.9
127.03885	6.6
128.06200	3.1
129.05461	1.5
129.06963	8.2
130.07771	2.1
131.04865	1.7
131.08548	28.4
133.06509	2.2
133.10118	29.4
135.04439	2.0
135.08035	3.7
135.11671	13.0
137.05956	8.5
137.09587	8.6
139.03955	1.5
139.07474	2.3
141.05513	5.9
141.06937	3.1
143.08560	25.5
145.02846	7.7
145.05032	2.4
145.06468	3.2
145.08652	12.6
145.10094	44.2
147.04391	6.1
147.08029	12.3
147.11690	16.9
149.05942	3.1
149.09575	6.9
149.13254	9.3
151.03906	2.2
151.07507	2.5
151.11156	3.0
153.05507	2.1
155.08574	6.1
157.06497	1.7
157.10075	20.5
159.08003	6.9
159.11679	24.7
161.05888	2.7
161.09575	21.2
161.13213	3.5
163.03835	2.5
163.07430	3.0
163.11153	10.5
165.09119	2.7
167.07033	17.6
167.08328	2.6
169.10097	7.4
171.07994	12.9
171.11642	9.3
173.09557	13.1
173.13162	3.6
175.03967	2.2
175.11090	10.5
175.14799	1.8
177.05457	12.1
177.09079	8.3
177.12727	2.8
181.10074	6.6
183.11633	8.0
185.09647	6.6
185.13242	6.5
187.11011	2.9
189.09082	30.7
189.12729	2.5
191.10622	10.8
194.35510	1.5
195.11591	2.6
197.13335	5.3
199.11160	6.5
199.14784	2.3
201.09091	2.5
201.12567	1.5
203.10651	7.4
203.17822	2.0
205.08334	1.7
207.11786	1.8
209.13321	3.1
209.15390	1.6
211.10999	1.8
211.14806	2.3
213.08977	2.3
213.12743	1.9
213.16325	2.0
215.10442	1.5
227.10655	2.6
229.12202	1.8
231.10199	2.1
231.17357	2.4
233.11557	1.8
235.14725	2.3
243.13809	1.7
245.11613	1.9
249.16423	2.5
269.18948	5.7
269.64786	1.5
275.17892	2.8
281.15277	1.5
289.19550	2.8
291.20950	2.1
293.18872	3.1
307.16864	2.8
307.20502	20.2
309.22049	2.6
311.19922	2.3
317.18835	3.8
325.21533	10.5
335.19928	38.6
337.21216	1.8
353.21036	80.6
355.22580	7.4
357.21555	2.2
371.22092	99.5
372.22339	2.7
373.23672	44.8
383.27661	2.5
389.23145	66.9
391.24722	21.5
407.24167	94.0
730.22290	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	730.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
53.03949	1.0
55.01868	1.6
55.05501	1.1
57.03177	0.7
57.03430	13.3
59.04990	2.9
60.04517	3.6
60.62274	0.5
65.03925	1.0
66.55116	0.6
67.05477	0.9
69.03415	40.1
71.04944	1.1
74.08775	0.6
75.04475	1.1
75.42393	0.6
78.70432	0.7
79.05459	5.3
81.03401	16.6
81.07047	1.1
83.04970	1.6
84.04463	0.9
85.02892	31.8
85.06523	3.0
87.04451	23.9
89.06030	1.2
91.05449	5.8
92.08807	2.5
93.07021	1.1
95.04944	4.3
95.08578	0.9
97.02866	25.0
99.04444	1.1
103.05446	3.1
105.07024	5.0
107.04941	19.1
107.08578	2.8
109.02859	3.2
109.10155	1.7
111.04411	1.5
111.08128	0.7
115.03919	17.8
115.05431	9.2
117.06992	22.8
119.04953	0.9
119.08591	1.3
121.06484	1.2
121.10123	0.8
123.04417	4.3
124.05191	3.9
125.05978	1.4
126.05531	0.8
127.03916	5.1
128.06218	0.8
129.05338	0.6
129.07002	4.2
131.04919	1.5
131.08563	6.0
133.04942	15.6
133.06490	2.6
133.10123	0.9
135.08020	0.9
137.05986	3.6
137.09592	4.4
141.06938	1.1
144.05695	3.9
144.06651	1.0
145.02840	1.3
145.06470	59.7
145.10147	1.5
147.04398	1.7
147.08011	3.6
147.11639	0.9
149.05916	1.0
150.07613	2.8
151.03905	0.8
152.04709	1.1
153.05467	1.5
155.06015	7.6
156.05666	10.4
157.06477	3.8
159.08023	10.1
161.05952	5.6
162.07619	1.4
163.03934	3.2
163.11151	1.2
165.09113	1.3
167.07004	64.9
173.05946	94.2
175.03900	1.3
175.07518	4.3
177.05429	1.7
181.04903	8.7
181.08527	0.9
183.06522	1.2
184.05185	2.8
187.07497	10.6
189.05385	1.2
190.06212	58.0
191.07014	1.3
193.08548	2.8
199.07718	0.7
202.06216	7.1
203.07008	9.0
205.08563	100.0
206.09027	0.7
207.06456	1.2
207.10019	1.2
217.08557	54.3
218.07234	0.9
219.08110	2.0
219.10144	4.8
221.07977	1.0
223.09613	3.3
229.08495	1.1
231.08009	1.0
233.08116	3.1
235.07466	1.0
235.09604	29.2
247.07445	1.3
247.09628	6.0
248.08308	1.4
254.05742	0.8
259.07843	1.5
261.09283	0.8
262.09680	0.9
263.10767	0.9
264.07614	1.0
265.10654	57.0
267.06415	0.9
269.07950	1.5
271.09686	3.5
291.10022	1.1
293.08099	2.6
307.09460	1.4
308.10400	0.9
310.08475	0.9
315.08545	7.2
319.09372	1.0
323.12677	1.2
330.10846	8.5
331.11624	2.7
337.10605	0.8
339.12317	1.1
351.12167	1.7
353.10172	1.1
355.22495	1.0
368.12454	1.4
369.13339	0.9
371.14685	3.8
383.14783	13.0
391.24695	3.5
401.15851	23.4
417.15179	6.2
435.16473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61928	0.3
52.92713	0.4
53.03923	0.6
55.01851	2.5
57.03413	1.2
58.84360	0.4
61.02902	2.6
63.93746	0.5
64.33975	0.4
69.03414	6.7
71.04984	0.4
73.02906	0.6
78.04694	0.8
79.05476	6.7
81.03389	2.8
83.04917	0.6
85.02414	0.7
85.02886	13.8
86.36021	0.5
87.04424	0.6
89.03904	0.4
91.05463	10.4
93.07015	2.1
95.04962	2.7
97.02856	4.6
99.04437	0.6
103.05447	3.7
103.33832	0.4
104.06209	1.2
105.06362	0.8
105.07014	19.6
106.04097	0.8
107.04929	10.6
108.08893	0.7
109.02856	2.4
109.06519	0.9
109.10098	0.6
111.04432	0.5
115.05450	6.6
117.03356	0.9
117.07012	4.6
118.04127	0.7
119.04898	3.3
119.08549	10.1
121.02832	0.9
121.06468	2.3
123.04412	4.9
124.05163	3.4
125.05978	0.9
127.03921	2.0
128.06168	2.8
129.06970	9.9
131.04890	5.7
132.05695	7.8
133.05534	0.9
133.06468	18.8
133.10075	0.6
135.04431	1.0
135.08131	0.7
136.05197	0.7
137.05928	3.9
137.09554	0.8
141.06970	2.3
143.04919	1.1
143.05997	0.8
144.05696	0.8
145.02820	2.7
145.04958	1.8
145.06473	2.7
147.04379	2.7
147.08023	14.1
148.05141	0.8
149.05919	1.0
151.03909	0.8
151.07489	3.3
152.04657	2.5
153.05450	2.3
156.05612	0.6
157.06441	2.0
159.07994	4.1
160.05167	8.6
161.05948	21.8
162.07683	0.6
163.03836	1.9
163.07535	2.6
167.06998	100.0
169.06453	3.5
172.05107	1.2
173.05898	0.7
175.07504	89.9
176.04825	0.6
177.05447	6.3
178.06212	0.7
179.06982	4.2
180.08690	0.7
181.04912	2.1
181.08527	0.9
186.06758	0.6
187.07509	12.4
189.09048	3.2
191.06993	7.8
191.08463	0.8
193.08560	51.6
199.07526	6.9
201.09082	5.2
202.07788	0.9
203.08531	2.5
205.06560	0.7
205.08458	1.0
206.07205	0.9
209.07985	0.7
215.08560	0.7
217.06541	0.7
217.08548	1.2
218.07228	0.8
219.08017	2.0
220.08731	0.8
221.09538	3.7
223.07784	0.5
231.08058	0.9
232.08879	0.5
233.09564	3.1
234.06625	2.6
235.07449	1.0
243.08038	0.6
246.06712	0.8
248.08253	0.7
249.08977	3.8
250.06148	0.6
250.09845	0.6
251.06842	1.8
257.05887	0.6
260.08374	0.6
261.09058	3.1
262.06085	0.6
263.07013	2.2
263.10590	0.8
265.08551	1.1
275.07224	0.7
276.07709	0.6
277.08527	3.0
278.09351	1.0
279.06369	1.0
279.09915	0.8
281.11627	6.5
289.08548	4.3
290.09094	0.8
291.09970	1.2
293.08237	0.8
293.11514	2.0
295.09735	0.9
306.08679	0.7
307.09598	1.9
307.29303	0.5
308.10608	0.7
309.11127	6.4
311.09036	0.9
321.11255	4.5
326.11444	2.2
338.11609	0.6
339.11945	1.0
341.13770	22.7
343.15460	2.0
353.09396	0.9
353.13721	16.4
355.15329	15.8
359.14862	1.9
371.14764	6.1
533.20087	0.8
631.76337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
53.03949	1.0
55.01868	1.6
55.05501	1.1
57.03177	0.7
57.03430	13.3
59.04990	2.9
60.04517	3.6
60.62274	0.5
65.03925	1.0
66.55116	0.6
67.05477	0.9
69.03415	40.1
71.04944	1.1
74.08775	0.6
75.04475	1.1
75.42393	0.6
78.70432	0.7
79.05459	5.3
81.03401	16.6
81.07047	1.1
83.04970	1.6
84.04463	0.9
85.02892	31.8
85.06523	3.0
87.04451	23.9
89.06030	1.2
91.05449	5.8
92.08807	2.5
93.07021	1.1
95.04944	4.3
95.08578	0.9
97.02866	25.0
99.04444	1.1
103.05446	3.1
105.07024	5.0
107.04941	19.1
107.08578	2.8
109.02859	3.2
109.10155	1.7
111.04411	1.5
111.08128	0.7
115.03919	17.8
115.05431	9.2
117.06992	22.8
119.04953	0.9
119.08591	1.3
121.06484	1.2
121.10123	0.8
123.04417	4.3
124.05191	3.9
125.05978	1.4
126.05531	0.8
127.03916	5.1
128.06218	0.8
129.05338	0.6
129.07002	4.2
131.04919	1.5
131.08563	6.0
133.04942	15.6
133.06490	2.6
133.10123	0.9
135.08020	0.9
137.05986	3.6
137.09592	4.4
141.06938	1.1
144.05695	3.9
144.06651	1.0
145.02840	1.3
145.06470	59.7
145.10147	1.5
147.04398	1.7
147.08011	3.6
147.11639	0.9
149.05916	1.0
150.07613	2.8
151.03905	0.8
152.04709	1.1
153.05467	1.5
155.06015	7.6
156.05666	10.4
157.06477	3.8
159.08023	10.1
161.05952	5.6
162.07619	1.4
163.03934	3.2
163.11151	1.2
165.09113	1.3
167.07004	64.9
173.05946	94.2
175.03900	1.3
175.07518	4.3
177.05429	1.7
181.04903	8.7
181.08527	0.9
183.06522	1.2
184.05185	2.8
187.07497	10.6
189.05385	1.2
190.06212	58.0
191.07014	1.3
193.08548	2.8
199.07718	0.7
202.06216	7.1
203.07008	9.0
205.08563	100.0
206.09027	0.7
207.06456	1.2
207.10019	1.2
217.08557	54.3
218.07234	0.9
219.08110	2.0
219.10144	4.8
221.07977	1.0
223.09613	3.3
229.08495	1.1
231.08009	1.0
233.08116	3.1
235.07466	1.0
235.09604	29.2
247.07445	1.3
247.09628	6.0
248.08308	1.4
254.05742	0.8
259.07843	1.5
261.09283	0.8
262.09680	0.9
263.10767	0.9
264.07614	1.0
265.10654	57.0
267.06415	0.9
269.07950	1.5
271.09686	3.5
291.10022	1.1
293.08099	2.6
307.09460	1.4
308.10400	0.9
310.08475	0.9
315.08545	7.2
319.09372	1.0
323.12677	1.2
330.10846	8.5
331.11624	2.7
337.10605	0.8
339.12317	1.1
351.12167	1.7
353.10172	1.1
355.22495	1.0
368.12454	1.4
369.13339	0.9
371.14685	3.8
383.14783	13.0
391.24695	3.5
401.15851	23.4
417.15179	6.2
435.16473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18046	0.6
55.05499	1.4
56.89701	0.5
57.03425	3.3
57.25532	0.6
61.02912	3.8
62.88820	0.6
67.05491	4.3
69.03411	5.6
69.07062	1.0
71.04980	1.2
73.02900	1.6
79.05465	3.5
81.07044	4.4
83.04987	0.9
83.08609	1.1
85.02882	7.7
87.04440	0.8
91.03948	3.2
91.05437	4.9
92.36532	0.6
93.07030	3.8
95.04956	3.7
95.08586	2.6
97.02865	4.8
97.06515	0.7
97.10152	0.7
101.02375	2.6
105.07035	4.0
107.05009	0.8
107.08611	0.8
107.74677	0.8
109.10166	0.9
111.08083	1.0
113.05990	0.8
119.08585	3.5
121.10159	3.2
126.70870	0.7
127.03937	1.5
129.07024	0.8
131.08597	2.4
133.10153	2.8
139.48140	0.7
145.05080	0.7
147.11696	2.9
149.09650	2.7
157.10114	1.6
175.11148	0.9
193.12259	3.0
198.18588	0.9
225.15042	0.8
243.08450	3.6
265.67841	0.8
267.15994	0.9
283.15118	5.3
339.17813	1.1
469.20242	10.1
501.23013	12.4
539.61908	0.9
729.36572	100.0
730.37396	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	729.4177
Annotation	Avermectin A1b monosaccharide
Peak:m/z	Relative Intensity
55.05496	5.8
57.03403	1.6
61.02909	9.1
62.28909	1.5
67.05488	8.4
69.03413	3.4
69.07046	1.5
73.02892	3.2
79.05442	2.6
81.07043	7.5
85.02872	2.9
91.03933	2.1
93.07023	6.4
95.08598	3.0
97.02876	7.9
119.08541	1.7
121.10196	1.6
141.54556	1.4
213.91826	1.5
253.03772	1.6
304.73444	1.6
312.43192	1.8
346.58093	1.5
451.19568	5.7
519.29321	3.0
729.41681	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	728.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.05489	32.4
57.03426	25.5
57.07055	7.3
61.02917	5.4
63.36839	3.3
67.05486	75.4
69.07056	4.8
69.67126	3.3
71.04961	4.2
71.08632	3.2
71.50995	3.9
72.21505	3.7
79.05470	53.9
81.07040	86.6
82.28232	3.6
83.08602	8.1
83.87221	3.3
85.02912	3.7
86.34487	3.3
91.05464	27.1
91.69576	4.2
93.07016	61.4
95.04968	4.4
95.08582	56.5
97.06523	3.8
97.10130	5.1
105.06999	28.9
107.08575	41.4
107.89195	3.8
109.06469	4.5
109.10144	50.9
119.08568	15.9
121.10100	26.0
123.11677	17.9
131.08528	6.7
133.10103	20.3
135.11763	11.4
145.10156	5.8
147.11577	3.7
151.11160	19.9
173.13202	6.3
177.16457	4.2
215.12758	20.5
229.91397	3.9
243.21049	6.2
261.22107	15.6
271.15295	100.0
317.24722	4.7
335.25735	79.6
372.36874	4.0
531.36920	44.6
535.59247	4.4
549.37549	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	729.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01858	3.2
55.05506	5.7
57.03427	6.2
59.04985	4.7
61.02907	3.2
65.03930	7.0
67.05485	4.7
69.03408	10.2
69.07040	1.0
71.04980	3.9
77.06039	0.7
78.04697	3.9
79.05470	11.3
80.17740	0.6
81.03399	4.2
81.07021	6.3
82.04157	2.5
83.04967	14.5
83.08582	1.4
85.02893	42.7
85.06528	18.4
86.03231	1.2
86.06864	1.1
87.04452	46.4
87.04983	1.6
88.04783	3.1
91.05463	17.4
93.03403	2.7
93.07031	4.3
93.51840	0.7
95.04942	5.9
95.08588	5.3
96.08951	0.8
97.02884	6.8
97.06522	1.7
98.34435	0.7
99.04438	4.2
100.04800	0.8
103.05453	5.8
104.06330	0.6
105.07013	16.8
107.04941	13.2
107.08591	5.4
109.02868	1.7
109.06482	0.9
109.10154	1.7
110.03642	8.3
111.04424	20.4
113.05997	1.6
113.38754	0.7
115.05424	7.1
115.07559	3.4
117.07034	6.2
118.04134	1.3
119.04907	9.5
119.08569	11.3
120.08901	0.8
121.06471	1.6
121.10119	1.5
122.03615	1.7
123.04420	10.0
124.05199	4.1
125.05969	9.7
127.03912	1.7
128.06207	4.7
129.05481	8.9
129.06996	8.5
130.04143	1.3
131.04880	8.8
131.08557	5.0
132.05721	5.8
133.02823	2.9
133.06474	10.6
133.10100	4.6
135.11697	1.4
137.05975	12.4
141.06990	3.6
143.04945	0.8
143.07030	4.5
143.08548	3.6
144.05695	1.5
145.02829	1.6
145.04942	1.5
145.06461	4.4
145.10120	3.9
147.04411	8.8
147.08063	7.9
147.11665	3.3
148.12061	0.8
149.05937	3.4
149.13329	0.9
151.03873	1.7
151.07532	3.7
152.04675	3.3
152.06157	0.8
152.08549	0.9
153.05460	20.3
153.06725	1.1
155.04955	1.3
155.08548	1.1
156.05630	1.4
157.06447	1.5
157.10040	1.3
159.08044	9.1
159.11687	5.0
160.05200	4.2
160.11996	1.0
161.05943	7.6
161.09537	1.0
161.13234	1.1
163.03874	1.2
163.07526	5.5
165.05528	0.8
167.07010	100.0
168.07361	0.9
169.06447	3.1
171.04417	2.6
171.07986	1.3
172.05176	1.2
173.05995	3.0
173.09584	0.7
173.13292	1.1
175.07520	40.2
175.14787	9.2
176.04695	1.4
176.15150	1.6
177.05420	4.9
177.09076	3.0
178.07748	1.7
179.07021	7.8
179.08598	2.9
183.11740	1.0
184.05180	3.1
185.05978	2.8
186.06763	3.7
187.07516	19.1
189.05453	2.8
189.07048	1.5
189.09070	3.9
190.07768	4.6
191.07013	11.8
191.08607	3.0
192.09346	0.8
193.06740	1.1
193.08595	8.2
193.10075	1.4
195.08041	1.1
195.11668	1.0
199.07506	12.6
201.09138	3.2
202.07692	5.0
203.08574	6.1
203.10362	1.1
205.06493	3.0
206.07272	3.3
207.06346	1.2
207.08026	3.5
209.09544	1.1
214.06187	1.2
215.08595	2.9
216.07719	1.6
217.06511	0.9
218.07278	6.4
219.08038	12.0
220.08690	5.7
221.05942	1.3
221.09616	4.9
222.06885	0.9
225.09100	1.7
229.06497	1.2
229.08565	2.9
230.07213	1.4
231.08078	6.5
232.08871	3.2
233.05972	2.9
233.09587	5.5
234.06743	4.9
235.07545	6.9
236.08305	5.7
237.09131	2.6
241.12010	2.1
243.08075	1.1
245.05864	1.1
246.06708	3.4
247.07478	6.9
248.08237	7.4
249.05423	0.9
249.09047	8.6
249.11122	1.9
250.06108	1.3
250.09868	1.4
251.07025	2.6
251.10670	9.7
253.08527	1.1
253.12097	0.8
258.06689	1.0
259.07513	5.6
260.08273	1.5
261.05551	3.4
261.08997	7.4
262.06207	1.6
262.09778	1.0
263.07019	3.9
263.10681	1.5
264.07764	9.2
265.08603	13.4
265.11725	1.3
266.09525	1.1
271.07584	0.7
273.09225	2.8
274.06012	2.6
275.07025	4.6
276.07724	10.7
277.08539	8.4
278.09348	3.2
279.06747	1.7
279.10101	6.3
280.10916	1.1
281.08011	1.2
281.11661	3.9
283.09723	1.0
287.07126	0.8
288.07684	2.8
289.08514	6.4
290.05618	0.8
290.09265	2.8
291.06799	1.3
291.10159	7.4
292.07455	1.2
293.07971	5.1
293.11145	1.6
294.08798	1.0
295.09814	1.2
297.80930	0.7
301.08347	1.2
304.07233	4.3
305.08063	3.4
306.08719	2.8
307.09521	14.3
308.10306	6.8
309.11139	5.4
310.11868	0.8
311.09650	0.8
311.12784	4.6
319.09567	15.8
320.10391	2.8
321.11182	7.0
323.09189	1.1
323.12512	6.1
324.09793	1.2
325.14151	0.9
325.21851	0.8
335.20020	4.3
336.09827	1.0
336.20233	2.8
337.10635	2.4
339.12222	39.8
341.13773	11.2
351.12216	36.4
351.16516	1.2
353.13831	7.8
353.21091	7.9
354.21432	2.7
355.15475	0.8
369.13324	6.1
371.22104	3.1
372.22818	1.0
389.23151	52.8
390.23471	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.05500	25.8
56.62907	2.5
56.93237	3.1
57.03419	15.6
57.07065	3.0
60.54628	2.6
61.02917	6.8
64.20469	2.8
67.05494	79.1
69.03419	3.6
69.07056	19.2
69.87417	3.1
71.42516	2.5
76.57000	2.7
76.75157	2.8
79.05484	53.2
79.18395	2.4
81.07045	84.2
83.08609	17.7
85.02862	4.9
85.06535	7.4
87.04477	2.8
91.05462	29.8
92.09416	6.1
93.07032	57.3
95.04956	5.8
95.08588	56.6
97.02847	3.8
97.10152	3.6
100.61797	2.8
105.07013	27.4
107.08575	47.7
109.06531	3.8
109.10145	44.6
109.16825	2.8
117.06960	4.3
119.08547	21.0
121.10122	18.5
123.08085	3.5
123.11676	13.1
125.09505	3.6
131.08592	10.6
133.10104	20.4
135.11693	20.4
149.13231	5.7
151.11154	7.1
159.11597	4.7
163.14755	3.4
164.29697	3.2
173.13272	3.7
179.10626	4.0
215.12787	21.3
216.46329	3.1
243.21135	4.1
261.22174	24.3
271.15378	82.5
271.18460	5.0
335.25754	100.0
407.72574	3.6
531.36499	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
55.05500	14.1
57.03431	11.5
57.07047	2.1
58.37561	1.2
61.02889	2.0
61.07683	1.1
62.79496	1.1
65.33377	1.2
67.05493	60.4
69.03402	2.2
69.07058	12.5
71.04976	5.5
79.05473	23.8
81.03422	1.9
81.07040	53.2
83.04996	4.4
83.08601	6.2
85.02935	1.4
85.06522	5.9
91.05464	35.6
92.08719	2.9
93.07025	31.1
95.04934	5.3
95.08607	17.9
97.02886	1.4
97.06509	2.2
105.07014	31.1
107.08576	34.5
109.06501	6.4
109.10141	51.5
113.05982	1.9
117.06992	5.3
119.08569	10.1
121.04120	1.5
121.10123	8.9
123.08047	1.6
123.11694	7.3
128.08527	1.5
131.08566	9.8
133.10107	61.4
135.11650	6.0
143.08549	2.4
145.10123	3.0
147.11690	2.0
149.13274	2.4
151.11169	24.5
159.11655	1.8
161.06009	1.3
161.09531	1.8
169.12144	1.8
172.77744	1.4
173.13200	2.0
206.71446	1.4
215.12799	1.5
243.20993	1.5
253.14275	100.0
261.22183	5.0
271.15344	23.5
317.24765	1.6
335.25739	40.5
439.09143	1.5
487.51767	1.4
513.35791	6.9
531.36700	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	728.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01858	7.8
55.05498	11.7
57.03416	11.5
67.05490	57.7
69.03404	2.8
69.07059	14.7
71.04971	3.1
79.05466	31.4
81.03431	2.7
81.07034	63.2
83.04949	3.3
83.08604	6.7
83.94137	1.5
85.02908	2.5
85.06541	6.7
86.98384	1.4
88.91084	1.4
91.05464	43.6
93.07023	37.0
95.04953	6.4
95.08590	25.5
97.06522	3.1
97.10175	1.9
105.07011	32.7
107.08577	39.1
109.06513	2.7
109.10141	68.4
113.05940	2.4
117.06974	2.8
119.08545	3.2
119.47723	1.6
121.10101	7.6
123.11674	11.8
127.07518	2.1
131.08562	7.1
133.10103	75.1
135.08095	2.1
135.11691	6.8
145.10097	2.6
149.13249	2.9
151.11176	31.0
159.11685	2.5
169.12222	2.9
173.13319	1.7
177.40269	1.8
180.21979	1.5
180.82976	1.4
194.18706	1.8
211.72197	1.5
243.20992	2.0
253.14275	100.0
261.22189	10.8
271.15359	29.8
326.59763	1.5
335.25708	25.6
416.16641	1.6
449.82242	1.7
513.35675	8.4
531.36688	43.6
532.36597	1.8
698.18188	1.9
728.47131	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	728.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.07265	0.3
55.01859	1.5
55.05254	0.5
55.05500	7.0
57.03424	3.9
59.04985	4.7
61.02902	0.7
63.36372	0.3
63.57277	0.3
65.03911	1.6
66.92863	0.3
67.05487	3.9
67.21667	0.3
68.18002	0.3
69.03410	5.9
69.07038	0.7
69.86993	0.3
71.01318	0.6
71.04968	4.9
73.02897	0.4
73.06532	0.7
75.04447	0.5
77.06017	1.4
79.05465	3.9
81.03383	2.1
81.07036	6.5
82.04179	0.6
83.04454	0.5
83.04963	17.9
83.08592	1.8
85.02886	42.5
85.06524	24.2
87.04446	65.6
91.05446	7.9
93.03377	0.5
93.07011	6.0
95.04942	2.1
95.08587	5.8
97.02853	4.7
97.06505	2.1
99.04430	7.4
101.05984	0.6
102.03094	0.4
103.05450	1.5
105.07005	10.6
107.04929	2.2
107.08589	6.9
109.02859	1.8
109.06496	0.7
109.10118	2.2
110.03680	0.6
111.04418	15.5
111.08012	0.4
113.05981	1.7
115.05424	1.4
115.07552	3.3
117.05504	0.8
117.06982	3.3
119.04910	1.9
119.08553	9.9
121.06457	0.9
121.10132	3.0
123.04393	1.8
123.08070	0.5
123.32529	0.4
123.33479	0.4
124.05187	0.5
125.05956	0.9
125.09563	0.4
127.03907	3.2
128.06180	0.7
129.05453	9.4
129.06932	2.6
131.04895	1.6
131.08549	5.5
133.02776	0.4
133.06474	2.2
133.10121	6.4
135.08063	0.5
135.11665	3.2
137.05962	2.8
141.06949	1.9
142.07738	0.4
143.07018	6.8
143.08560	3.7
145.02812	2.0
145.04965	1.6
145.06435	1.5
145.10127	4.7
147.04404	2.1
147.08009	2.9
147.11690	5.8
149.05971	0.9
149.09616	0.5
149.13216	1.8
151.07513	0.7
153.05484	3.2
153.06641	0.4
155.08531	1.6
157.06488	0.6
157.10101	2.5
158.07129	0.4
159.08008	2.9
159.11635	6.9
160.05066	0.5
161.05969	1.6
161.08086	0.6
161.09598	1.6
161.13210	2.3
163.03813	0.6
163.07471	2.7
165.07054	0.5
166.07741	0.5
167.06998	15.5
167.08414	0.7
168.09203	0.5
169.06467	0.5
169.10103	2.1
171.08017	1.4
171.11670	2.1
173.09610	0.5
173.13235	2.8
175.07509	7.0
175.14792	12.7
175.83598	0.4
177.05450	2.6
177.09035	1.5
179.06960	1.8
181.10100	1.5
182.10912	0.4
183.10107	0.4
183.11688	2.2
184.05032	0.4
185.13280	0.8
187.07506	6.9
187.14838	0.4
189.05460	0.5
189.09068	6.1
191.07005	1.6
191.08560	0.5
193.08575	1.9
195.11621	1.5
197.13258	1.4
199.07518	2.0
199.11188	0.5
199.14771	0.5
201.09088	1.7
201.12611	0.4
203.08585	0.8
205.06604	0.5
209.09634	0.6
209.13214	0.6
211.11342	0.4
213.09096	1.6
215.10587	0.7
219.08089	1.5
219.11673	0.7
220.08743	0.5
221.13222	0.7
223.11171	0.5
225.09126	1.4
227.10712	1.8
229.12212	0.4
231.08020	0.6
232.08810	0.5
233.05824	0.5
233.09650	0.6
235.07483	0.8
236.08195	0.6
237.07411	0.5
237.18456	0.5
239.10541	0.4
241.12244	4.2
243.10051	0.5
247.07426	0.6
248.08282	0.5
249.08994	0.6
249.11243	0.8
249.16263	0.4
251.10675	0.6
253.08720	0.4
253.12036	0.8
255.08629	0.7
261.05280	0.4
261.09131	0.6
263.06973	0.6
264.07672	0.7
265.08530	1.4
273.09454	1.7
275.07028	0.5
276.07727	1.3
277.08615	0.5
278.09357	0.5
279.13721	0.8
281.11588	0.7
289.08429	0.6
290.09207	0.4
291.10077	0.7
293.08087	0.6
293.15308	0.5
295.09494	0.4
304.07196	0.5
307.09579	1.9
307.17001	0.5
307.20468	0.7
308.10123	0.5
309.11075	0.6
311.12842	0.4
319.09564	2.1
323.12628	0.5
325.21570	0.6
335.19965	9.6
337.10654	0.5
339.12155	5.2
341.13855	0.8
351.12192	5.2
353.14014	1.2
353.21008	6.8
369.13083	0.8
371.21973	5.8
374.23724	0.4
387.21689	0.5
388.21918	0.4
389.23129	100.0
390.23520	1.9
432.73642	0.4
504.96902	0.5
544.44666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58864	1.2
55.01838	1.8
57.03431	20.6
57.22045	1.1
59.04983	2.5
61.02902	6.6
64.04948	1.1
66.74043	1.2
69.03416	71.8
71.04933	1.3
73.02894	8.1
75.04451	3.0
81.03379	2.0
83.04915	2.1
85.02892	100.0
86.84633	1.1
87.03934	2.4
87.04447	51.9
90.00285	1.2
91.03918	2.4
97.02866	62.2
99.04430	2.3
103.03930	1.4
108.83504	1.4
109.02858	6.0
115.03913	75.2
117.03277	1.5
127.03897	21.2
133.04939	66.3
135.04382	5.5
145.04947	39.5
150.07573	7.6
163.03868	35.5
163.05917	14.0
193.10555	2.8
223.11696	20.6
241.06998	6.3
259.08069	13.0
263.51431	1.2
277.09027	2.0
295.10190	28.9
372.18643	5.4
453.79898	1.2
639.90271	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	726.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42468	1.3
53.00304	1.3
53.03928	3.1
55.01855	2.9
55.05305	1.4
55.05504	24.3
57.03421	20.5
57.07068	3.2
61.02892	3.7
65.03928	1.7
67.05140	3.0
67.05488	84.0
69.03410	2.4
69.07052	28.0
69.14657	1.6
71.04973	2.2
74.98366	1.5
77.10240	1.6
79.05053	2.6
79.05473	53.0
81.03403	2.6
81.07031	92.5
83.04960	2.8
83.08608	15.4
85.02882	3.6
85.06508	2.5
91.03960	2.3
91.05457	29.3
93.07019	77.4
95.04939	8.4
95.08575	41.3
97.02856	1.7
97.06510	8.8
97.10126	1.7
105.07003	16.1
107.08566	36.5
109.06461	2.1
109.10151	13.7
111.08051	4.0
117.06967	9.1
119.08579	11.9
121.10112	25.5
123.11675	2.5
127.33127	1.8
131.08530	14.7
133.10127	12.7
135.11642	13.9
145.10123	6.3
147.11647	6.7
149.13239	21.4
159.11661	8.1
163.14806	3.0
173.13190	2.0
195.13751	6.7
223.07964	2.0
261.22000	3.5
265.50391	1.8
269.17407	41.7
317.24606	3.1
331.91281	1.9
335.21890	2.9
335.25699	56.4
529.38776	100.0
725.44226	8.2
726.24750	2.0
726.44507	24.1
732.90381	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.1
53.03930	6.9
54.81734	1.6
54.81995	1.9
55.05505	28.0
56.46735	1.5
56.80485	1.4
57.03431	25.8
57.07067	2.2
61.02908	6.8
61.52413	1.6
65.03927	2.1
67.05491	70.7
69.03410	3.1
69.07060	16.5
71.04977	3.4
73.02886	1.6
78.73948	1.6
79.05469	49.3
81.03398	100.0
81.07037	67.7
83.04967	7.3
83.08607	22.6
85.02896	3.1
91.03930	2.9
91.05453	38.6
93.07020	61.3
95.04947	35.1
95.08581	49.7
97.02856	8.1
97.06478	2.6
97.10154	3.4
105.07007	31.4
107.04954	3.2
107.08576	32.8
109.06509	7.1
109.10114	15.6
111.08051	6.9
115.05412	2.7
117.06993	3.5
119.08550	28.1
121.06456	2.9
121.10120	24.3
123.11693	3.6
125.09614	3.3
129.07021	13.2
131.08542	19.9
133.06447	2.8
133.10097	13.1
135.08029	1.7
135.11705	12.5
137.09547	2.6
145.10101	7.6
147.08037	2.5
147.11682	10.7
149.09608	7.5
149.13211	7.1
157.10101	10.8
159.11696	3.3
163.14699	2.1
165.12669	2.7
173.13226	4.2
175.11148	8.3
181.47026	1.7
189.16440	1.8
193.12175	20.4
235.13295	1.7
243.21097	3.1
261.22101	13.1
267.15881	67.4
301.25275	2.6
335.25766	75.1
453.33560	4.2
527.37177	48.4
545.38287	17.9
569.38019	6.8
631.23718	2.0
663.91962	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	724.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39355	0.6
50.52933	0.6
50.72293	0.5
53.03933	3.6
55.01864	3.8
55.05501	15.1
57.03425	20.0
59.04987	1.2
61.02909	1.0
65.03922	0.8
67.05492	22.7
69.03415	4.0
69.07045	6.8
71.04970	4.1
71.16248	0.7
78.46141	0.8
79.05469	26.3
81.03396	100.0
81.07036	23.4
83.04961	13.4
83.08601	21.2
83.09089	0.9
85.02883	15.3
85.06548	1.4
91.05454	28.0
91.05996	1.3
93.07019	17.6
95.04945	32.0
95.08575	10.1
97.02876	4.2
97.06511	3.9
97.10143	6.0
103.09110	0.7
105.04540	0.7
105.07003	25.6
107.04929	8.6
107.08549	9.3
109.06502	6.2
109.10122	5.1
111.04440	3.1
111.08070	11.7
113.05987	0.9
117.07006	3.3
119.08544	20.7
121.06487	5.4
121.10106	10.3
123.04551	0.7
123.08062	3.3
123.11668	0.9
125.09623	3.6
128.06224	0.8
129.06984	16.4
131.04887	1.4
131.08534	12.4
132.44942	0.8
133.06477	4.4
133.10106	10.8
134.13145	0.6
135.08009	1.0
135.11623	0.6
137.09625	3.1
141.06927	0.8
142.07791	4.1
143.08588	0.9
145.06450	5.5
145.10112	3.4
147.04277	0.6
147.08008	4.7
147.11661	16.4
149.09584	8.2
155.08598	1.0
157.06529	1.2
157.10098	17.3
163.11191	2.9
165.12732	1.0
169.06464	0.8
171.08127	1.1
171.10228	0.7
171.11646	1.1
173.09639	0.7
175.11147	13.6
186.75481	0.7
193.12195	40.9
195.11659	2.5
197.13159	0.8
199.11270	0.8
211.11302	1.2
211.13226	14.3
227.14362	0.8
237.12611	1.4
249.14735	2.7
255.13708	1.6
267.15839	81.2
273.14780	4.9
285.16983	8.7
298.27792	0.7
341.20978	3.1
349.21521	3.0
367.22443	5.0
385.23676	9.6
403.24722	1.1
433.25781	11.1
441.26248	5.8
459.27301	61.6
477.28366	39.1
501.27963	0.8
519.29407	0.8
536.96381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01866	0.2
55.05509	0.1
55.10254	0.1
57.03432	0.9
60.04486	0.1
61.02908	0.2
65.03926	0.9
67.05484	0.3
67.26059	0.1
69.03064	0.2
69.03418	4.4
71.04975	0.5
73.02902	0.1
74.39362	0.1
75.30298	0.1
75.57955	0.1
79.05482	0.5
81.03400	7.7
81.07023	0.6
83.01339	0.1
83.04966	0.2
83.17294	0.1
85.02887	4.9
85.06524	0.2
87.04462	0.6
91.05448	0.2
93.07030	0.2
95.04948	5.5
95.08569	0.2
97.02870	6.9
98.97558	0.2
99.04428	1.1
99.08073	0.2
105.07032	0.2
106.62048	0.1
107.04911	0.2
107.08591	0.4
109.02864	3.9
109.10138	0.2
111.04417	1.4
115.03921	0.5
116.98605	0.2
119.08582	0.2
121.02843	100.0
121.10067	0.2
122.03144	0.2
125.69306	0.1
127.03886	2.6
127.07537	0.2
131.08604	0.1
133.04942	0.2
133.10101	0.2
135.08066	0.1
135.11674	0.2
139.03880	16.4
139.23795	0.1
143.00073	0.1
145.04962	0.7
145.10104	0.6
153.12735	0.1
159.11797	0.2
161.01198	0.2
163.03888	0.1
163.11194	0.2
173.09572	0.2
183.11819	0.1
219.01750	0.2
223.06071	0.2
237.02800	0.6
247.06023	0.8
265.07001	12.0
283.08069	21.0
284.08582	0.2
369.26089	0.1
397.11191	0.2
401.38727	0.1
413.49756	0.1
445.13110	0.2
449.19211	1.7
449.69424	1.1
490.83124	0.1
491.26553	0.2
510.45773	0.1
527.28058	0.2
591.54669	0.1
700.62738	0.1
717.27435	0.2
724.39636	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	724.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05468	0.9
55.19570	0.5
56.05031	5.3
57.03426	1.4
57.07040	0.5
67.05489	1.1
69.03425	4.3
70.03396	0.6
70.06560	2.6
74.06060	100.0
79.05495	0.6
79.93004	0.6
81.03392	3.5
81.07025	1.3
84.04481	3.0
85.02879	4.7
85.06556	0.7
86.06677	0.6
87.04460	0.5
91.05447	0.6
92.09055	3.1
93.06973	0.6
95.04938	0.9
95.08582	1.1
97.02859	6.0
98.06026	7.1
98.53342	0.6
99.04414	1.0
102.05521	6.9
105.06992	3.4
105.41303	0.6
107.08582	1.2
109.02879	5.9
109.10104	0.9
111.04426	0.6
114.05566	0.9
116.07072	45.9
119.04950	1.3
119.08536	0.7
120.05688	0.7
120.06556	19.1
121.06490	0.9
125.09637	0.6
127.03870	2.4
131.08615	0.8
133.10078	1.2
135.04401	0.7
135.11613	0.7
136.07475	0.9
137.05952	3.1
137.09622	2.4
143.08557	4.1
144.05426	1.3
144.06538	32.0
145.02777	1.1
145.10126	0.7
147.04366	4.4
149.05891	1.0
159.08063	1.2
162.07552	4.3
163.03873	3.9
163.07547	0.7
165.09076	0.7
167.06996	3.5
171.11565	0.7
175.03937	0.9
177.05440	2.9
177.09018	0.7
181.04991	0.9
185.13246	0.9
207.06505	0.8
221.05910	0.9
228.08932	0.6
233.15286	1.0
240.08699	0.8
246.09680	1.1
249.05342	1.4
253.26021	0.8
267.06400	0.8
270.09567	8.3
277.04630	0.8
288.10645	8.1
295.05951	3.3
306.11603	4.6
323.01956	0.7
323.05338	5.8
417.10107	0.7
664.28516	2.8
665.29810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05479	0.3
57.03425	0.3
69.03398	0.9
73.91397	0.2
83.04967	1.8
85.02860	1.0
92.08746	1.0
92.09356	0.4
92.77682	0.2
93.03381	0.3
95.04929	0.5
97.02859	0.3
109.02838	0.3
111.04429	2.1
118.73394	0.2
121.02813	0.4
123.04382	1.4
129.05443	0.4
131.04872	0.3
133.02791	1.2
135.04361	1.0
137.02298	0.9
137.05951	0.3
139.03864	1.0
141.09047	1.1
145.02798	0.9
147.04387	0.9
151.03784	0.3
159.04346	0.3
161.02281	0.9
162.03142	0.2
163.03867	7.1
165.01816	0.3
165.06946	2.6
167.08450	0.2
173.02284	2.3
175.03842	0.4
177.05505	0.2
177.06920	1.2
181.06476	0.4
183.08035	0.3
187.03880	1.9
190.80429	0.2
193.06467	3.6
195.08080	0.3
197.05952	1.1
203.03300	0.5
205.06474	2.0
207.06435	0.9
211.07471	2.1
221.05923	19.5
223.07527	1.4
225.05482	1.7
225.07396	0.3
230.89697	0.3
231.04510	0.3
233.05914	1.7
238.06065	0.3
239.06984	5.8
249.05405	30.8
250.06085	1.5
251.06908	1.5
253.04938	0.5
255.06462	0.5
259.03812	1.2
261.05322	0.5
266.05524	0.8
267.06448	7.7
277.04877	19.1
278.05508	0.9
279.06467	5.9
281.04352	0.5
295.05939	47.8
296.06216	1.0
297.07449	0.4
305.04343	5.9
313.47168	0.2
321.03790	0.4
323.05423	100.0
324.05679	1.2
325.07050	0.2
326.28577	0.2
341.06522	2.6
353.06454	1.3
355.10010	0.3
387.52042	0.3
497.10825	5.0
515.12000	1.7
738.96191	0.2
741.09192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	5.3
53.94319	4.0
54.82055	4.2
55.05495	24.8
57.03424	8.1
67.05490	87.4
69.07063	10.6
69.44764	5.5
79.05482	83.2
81.03397	4.6
81.07043	73.8
83.04972	11.3
83.08607	5.7
86.14371	5.5
91.05450	57.8
93.07028	86.1
95.04929	21.7
95.08574	47.6
105.07005	39.0
107.08584	27.5
109.10149	5.5
111.88352	5.2
117.07011	8.0
119.08559	31.3
123.11694	5.1
129.06966	11.0
133.10114	5.9
134.87534	4.8
147.11662	25.4
153.97736	5.1
158.45383	6.0
161.13298	6.8
171.11610	10.0
181.96492	5.2
281.17419	56.8
320.89862	5.3
335.25690	35.8
541.38757	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	723.195
Annotation	Unknow
Peak:m/z	Relative Intensity
92.09003	2.6
154.56247	0.3
216.04459	0.3
225.77455	0.3
226.30087	0.3
234.57956	0.3
261.02734	0.4
381.07855	100.0
386.99002	0.3
486.85706	0.3
582.08289	0.4
746.40979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
53.18163	1.6
53.87060	1.5
54.81659	1.7
55.01868	3.4
55.05491	11.1
57.03420	10.4
60.55288	1.6
61.02905	8.1
62.35092	1.7
64.00067	1.8
67.05493	36.8
69.03417	32.9
69.07053	33.3
71.04970	2.4
73.02889	2.2
75.98940	1.8
79.05470	16.9
81.03387	13.1
81.07039	45.8
83.04958	4.2
83.08577	2.7
85.02885	100.0
91.05443	17.1
93.07014	29.0
95.04932	7.6
95.08571	17.6
97.02862	33.7
97.06496	8.1
97.77016	1.8
99.04420	2.9
105.07011	37.1
107.08563	25.1
109.02862	7.6
109.06431	3.6
109.10137	38.4
109.53081	1.9
117.06973	8.4
119.08554	32.2
121.10119	16.4
121.59293	1.7
123.08055	3.0
123.11679	9.7
127.03886	18.9
129.06976	4.3
131.08527	22.4
133.10078	20.3
135.08063	1.8
135.11678	10.4
141.06984	2.5
142.07788	3.8
143.08540	17.2
145.04979	13.3
145.10081	28.9
147.11659	45.3
147.12740	2.8
149.09622	3.1
149.13239	3.3
151.11160	4.1
155.08516	10.6
156.09399	1.9
157.10095	39.9
159.11664	26.5
161.13231	8.9
163.05945	3.0
169.10132	7.6
171.11606	20.4
173.13258	8.9
182.10905	2.1
183.11626	12.7
185.13211	9.9
187.14806	3.6
195.11699	2.6
196.12187	2.1
197.13185	9.0
199.14854	2.7
209.13089	2.5
211.14700	13.6
213.16307	17.7
223.14743	2.4
227.17937	4.0
239.17836	3.6
253.19429	68.9
255.17319	6.6
257.18948	6.8
271.20544	6.9
311.23633	3.8
354.11288	2.0
361.28824	8.7
379.29892	42.3
397.30862	4.2
427.42654	1.9
453.78879	2.2
635.67865	2.1
679.87329	2.1
717.23645	1.9
720.36450	24.2
721.36487	46.5
737.81061	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	718.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.4
57.07062	53.5
67.05459	3.5
71.08608	34.6
71.77975	3.6
72.74873	3.9
73.06527	9.0
77.77353	3.5
81.07047	6.8
83.40720	3.4
85.10153	22.3
87.04440	7.1
89.06006	100.0
95.08474	4.3
99.11736	4.3
133.08562	34.2
161.05251	3.8
177.11191	18.4
214.90208	4.1
221.13936	5.5
243.23047	5.6
701.49152	4.8
718.52576	7.9
732.92047	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	719.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04855	0.2
62.07813	0.2
67.05494	0.5
69.03414	1.3
69.07043	0.4
81.07028	0.3
85.02893	0.6
85.06561	0.3
91.05467	0.4
95.04981	0.3
95.08560	0.4
97.02866	0.3
97.06523	0.2
107.08597	0.4
113.05978	0.5
119.08612	0.5
131.08624	0.4
133.10120	0.3
163.95673	0.3
210.97400	0.2
283.52173	0.3
314.46600	0.3
329.12030	2.0
347.13217	0.5
349.95447	0.3
413.22604	2.4
507.71619	0.3
557.30841	2.7
719.36023	100.0
720.36200	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	720.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.7
53.03930	1.9
55.05499	19.2
57.03428	26.5
57.07064	40.9
60.28572	1.4
61.02893	3.6
67.05492	31.8
68.74433	1.6
69.03385	3.0
69.07056	9.2
71.04959	4.3
71.08617	26.9
77.50759	1.8
79.05463	26.0
81.03402	51.9
81.07031	37.6
83.04960	15.8
83.08601	27.1
85.02886	28.7
85.10163	17.6
91.05456	29.7
93.07009	16.9
95.04939	25.4
95.08580	28.4
97.02896	2.1
97.06509	2.0
97.10149	8.1
105.07001	22.5
107.04948	3.6
107.08595	3.8
109.06506	2.8
109.10135	7.6
111.08078	10.5
113.05999	2.0
115.08252	1.7
117.18720	1.6
119.08562	19.6
121.10111	8.7
123.11715	3.4
129.06955	12.8
131.08578	9.8
133.10123	11.1
147.04449	1.8
147.11662	15.2
149.09637	7.0
157.10138	15.8
175.11157	10.8
193.12195	34.4
211.13246	39.7
267.15900	15.2
278.78192	2.0
285.16891	53.7
313.27277	61.4
505.38904	15.0
523.39801	100.0
581.12610	1.9
621.44055	1.8
655.39838	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63713	4.8
52.88146	4.2
55.01841	4.5
55.05500	21.7
57.03431	9.3
57.06865	4.1
57.07074	72.9
67.05485	32.6
68.25783	5.3
69.07046	20.4
71.08624	47.0
73.45035	4.5
79.05482	26.2
79.30502	4.3
81.07037	29.9
83.08591	12.3
85.10144	24.1
89.06000	30.4
90.79124	5.0
92.08707	11.9
92.09270	11.5
93.07010	43.3
95.08586	49.0
97.10202	5.9
102.81766	5.4
105.07038	5.5
107.04932	10.5
107.08569	32.2
109.10138	6.4
117.06983	9.7
119.08535	9.3
121.06476	7.7
121.10140	22.8
126.29667	5.7
135.11667	53.6
145.10147	41.8
163.11174	75.1
181.12218	9.4
224.78804	5.5
227.12738	75.5
253.73885	5.8
283.15356	84.6
313.27359	100.0
382.82693	5.8
405.37958	5.5
476.53238	6.5
496.43777	5.8
521.38324	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.9
57.07068	44.4
67.05492	2.2
67.59731	2.2
68.47742	2.1
69.07040	3.8
71.08617	34.9
73.06537	10.7
81.07030	4.9
83.08595	3.5
85.10178	15.7
85.29909	2.1
87.04438	4.6
89.06015	100.0
92.08672	9.8
97.10146	2.8
105.83493	2.4
107.07042	2.8
114.37281	2.2
115.45130	2.1
117.09104	4.3
120.39615	2.1
131.07082	2.9
133.08566	32.1
157.06546	2.1
163.20836	2.3
177.11179	14.4
216.64508	2.0
283.17581	2.8
285.27750	3.0
329.30347	2.7
339.83542	2.6
371.16422	2.7
534.43683	2.5
580.02051	2.7
625.54205	3.0
699.52026	10.0
716.54657	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	717.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01863	0.5
55.05509	1.8
57.03429	2.4
61.02918	5.9
67.05491	5.3
69.03418	3.7
69.07054	1.4
71.01319	0.5
71.04971	0.4
73.02898	3.9
79.05473	4.4
79.05890	0.4
81.03407	1.5
81.07038	4.6
83.04987	1.1
83.08599	0.5
85.02893	6.1
91.03934	2.9
91.05471	1.8
93.07021	5.0
95.04932	0.4
95.08594	3.6
97.02880	4.9
97.06523	0.4
97.10168	0.4
99.04428	0.5
101.02368	1.5
103.03953	0.3
105.07024	1.1
107.08578	3.1
109.02888	0.4
109.10159	1.4
115.03975	0.3
117.07029	0.4
119.08532	1.0
121.10124	1.5
123.11657	0.3
127.03916	1.6
131.08533	0.5
133.10141	0.5
134.11627	0.3
135.11649	2.7
135.49872	0.2
136.41803	0.3
145.04959	0.3
145.10133	0.5
147.11665	0.3
165.85785	0.3
173.13225	0.2
185.04166	0.4
194.37962	0.3
212.47246	0.2
221.11513	1.7
243.08287	1.9
335.25894	0.5
439.19305	4.8
519.29144	7.3
533.98260	0.3
555.36108	0.3
717.41705	100.0
718.41815	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	714.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60021	0.5
54.00103	0.5
55.05502	10.7
56.05031	5.4
56.64826	0.6
57.07061	2.8
58.06577	0.6
60.04510	1.3
67.05500	14.0
68.05016	1.2
69.03396	0.8
69.07051	10.8
70.06568	2.9
71.08606	1.4
72.33247	0.5
76.47236	0.6
79.05483	13.7
80.04991	3.1
81.05769	1.2
81.07044	15.2
82.06559	11.5
83.08605	5.7
84.08093	0.8
85.02866	3.1
85.10174	1.0
87.52489	0.5
88.99862	0.7
90.92430	0.5
91.05463	10.8
93.06493	0.7
93.07027	11.3
94.06551	24.5
95.04932	2.6
95.07331	9.7
95.08577	9.1
96.08115	7.2
97.10155	1.4
105.07030	6.8
107.08575	5.8
108.08089	5.0
109.10123	3.6
110.58730	0.6
119.08557	7.1
121.10146	7.7
122.09666	3.6
123.11686	0.9
133.10100	2.8
135.10422	1.0
135.11641	3.3
147.11649	0.8
150.86490	0.6
171.51974	0.6
184.56941	0.6
194.16705	0.6
233.22705	0.7
243.84734	0.6
245.22527	4.3
250.25261	7.8
262.25250	100.0
272.25778	3.1
280.26248	6.7
500.36362	0.6
504.47702	4.7
516.47668	28.2
518.49091	4.1
534.48743	19.3
627.74500	0.6
696.54022	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	716.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.1
53.03928	0.8
54.82092	0.2
55.01858	0.3
55.05502	0.2
57.03425	1.2
58.58363	0.1
60.53994	0.1
61.02907	0.3
65.03936	1.0
65.35982	0.1
67.05480	0.5
69.03415	4.6
69.07027	0.2
71.04975	0.6
73.02916	0.2
79.05465	0.9
81.03400	8.5
81.07035	1.5
83.04953	0.3
83.08603	0.2
85.02885	6.9
85.36995	0.1
86.03207	0.2
87.04439	0.9
91.05456	0.6
92.05717	0.2
92.09022	0.8
93.07019	0.7
94.07350	0.1
95.00533	0.1
95.04941	6.4
95.08563	1.0
97.02867	7.5
97.06518	0.2
99.04425	1.6
101.02369	0.2
105.07017	0.8
107.04920	0.3
107.08591	0.7
109.02856	4.5
109.10101	0.5
110.61547	0.1
111.04414	1.3
115.03905	0.5
119.08632	0.4
121.02838	100.0
121.10109	0.8
122.03197	0.3
125.05991	0.2
127.03893	3.1
130.59949	0.1
131.08556	0.3
131.42262	0.1
133.04976	0.3
133.10112	0.2
135.04369	0.2
135.07991	0.3
135.11650	0.3
137.05945	0.7
139.03876	16.5
145.02831	0.6
145.04927	1.1
145.10089	0.2
147.04315	0.2
147.11670	0.2
149.09587	0.3
153.05405	0.3
157.10165	0.2
159.11682	0.2
161.05901	0.2
163.03883	0.2
167.07037	0.3
175.14737	0.3
177.05408	0.7
181.04942	0.3
201.16426	0.2
219.10309	0.2
223.05836	0.2
247.05946	0.8
265.06998	13.2
266.43033	0.1
283.08054	22.1
321.46521	0.1
337.21484	0.2
338.22159	0.2
351.25235	0.6
355.22549	0.3
356.22864	0.8
369.26089	0.2
373.23593	0.8
374.24173	1.2
375.24246	0.5
397.11084	0.3
415.12024	0.1
421.41635	0.2
445.13025	0.2
515.16614	0.2
536.29388	0.5
537.29291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.551
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
52.10617	0.2
53.00285	0.4
53.03931	0.5
55.05499	7.0
56.05027	3.8
57.03424	0.4
57.07064	3.8
58.02919	0.3
58.06594	0.5
60.04501	1.8
61.02898	0.2
65.03908	0.7
67.04230	0.3
67.05139	0.5
67.05487	11.1
67.07359	0.3
68.05001	1.3
69.03401	1.2
69.07051	8.4
70.06559	2.2
71.08606	0.7
79.05470	10.3
80.04983	3.6
81.03394	0.4
81.05788	1.4
81.07030	11.8
82.06555	7.7
83.08594	5.4
85.02869	2.4
85.10154	0.6
86.06052	0.3
91.05445	10.2
93.05770	0.4
93.07021	9.5
94.06542	21.8
95.04923	1.5
95.07322	10.6
95.08575	9.6
96.08109	6.1
97.02851	1.2
97.06468	0.4
97.10145	2.4
99.04448	0.3
105.07009	7.6
107.08569	5.4
108.08088	3.2
109.10131	3.0
111.11655	0.4
119.08545	5.9
121.08840	0.5
121.09167	0.4
121.10098	6.2
122.09642	3.2
123.11678	1.5
124.11169	0.4
133.10091	4.3
135.10652	0.4
135.11636	3.7
136.11191	0.7
137.13188	1.1
140.38058	0.3
141.37354	0.3
147.11650	1.3
149.13235	0.6
153.87437	0.3
161.13177	1.3
163.14740	0.3
175.14711	0.5
182.18903	0.3
188.85396	0.4
193.19418	0.5
230.85880	0.4
233.22621	1.8
234.22163	0.6
245.22583	3.2
250.25246	8.9
254.24757	0.6
260.23642	0.4
262.25220	100.0
263.25592	0.6
272.25720	3.2
280.26218	7.8
282.23950	0.4
312.25458	0.3
385.15012	0.4
429.52570	0.4
432.91006	0.3
504.47720	5.1
516.47650	28.6
517.47913	1.4
518.49164	5.4
534.48718	20.0
686.25610	0.4
696.53870	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	714.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14590	0.4
52.18023	0.4
53.00298	0.5
53.03935	1.0
53.17369	0.4
55.01853	1.0
55.05500	10.3
57.03434	6.0
57.07061	0.8
59.04988	7.3
59.37381	0.4
61.02899	1.3
64.33100	0.5
67.05492	7.6
68.19449	0.5
69.03415	7.9
69.07052	2.9
70.80193	0.5
71.04971	8.2
73.06539	0.8
75.04491	0.6
77.06017	2.3
79.05499	4.5
81.03394	2.9
81.07040	9.0
83.04965	26.1
83.08600	2.7
85.02889	63.5
85.05995	0.8
85.06526	38.4
87.04449	100.0
89.06012	0.7
91.05450	7.3
93.07028	8.5
95.04951	5.8
95.08584	9.8
97.02872	6.1
97.06509	3.0
99.04433	10.4
101.05998	0.9
105.07002	10.4
106.07353	0.5
107.08578	10.8
109.02872	2.1
109.06460	1.7
109.10134	5.8
111.04419	22.6
113.05985	8.4
114.06346	0.6
115.07545	6.2
117.05470	2.8
117.07000	2.8
119.08537	7.0
121.06487	0.7
121.10143	7.3
123.08076	0.6
123.11724	0.7
125.05994	2.1
127.03895	3.1
128.06284	0.7
129.05453	16.2
129.07024	2.5
130.07809	0.9
131.08539	6.8
133.10092	8.1
135.08014	0.6
135.11652	10.1
137.05960	0.6
143.07010	12.6
143.08530	4.7
144.08881	0.6
145.04984	2.0
145.08562	1.1
145.10118	7.8
146.10504	0.7
147.08044	0.6
147.11670	6.9
149.13237	2.9
153.05490	0.8
154.00024	0.5
155.08551	0.7
157.10149	3.2
159.08011	0.8
159.11624	5.6
161.08098	1.2
161.09612	2.0
161.13225	6.0
162.09984	0.7
163.03876	0.6
163.07500	0.9
163.14723	0.5
169.10103	1.1
171.08018	1.2
171.11679	2.7
173.13258	2.1
175.07600	0.5
175.11169	0.6
175.14803	0.9
177.09100	2.6
181.08543	0.6
183.11684	2.8
185.13210	3.7
187.11270	0.7
187.14804	2.6
189.09048	4.2
189.12727	0.8
189.16364	0.8
190.09435	1.0
191.10779	0.8
193.12477	0.8
195.13519	0.6
197.13297	1.0
199.05972	0.7
199.14763	2.0
201.16447	0.7
205.12199	1.0
211.14900	0.8
213.12791	0.6
213.16327	1.1
215.17876	1.0
217.12218	0.9
223.14766	0.5
225.16304	0.8
229.12180	0.8
231.13789	3.0
237.07619	2.4
237.16389	0.8
239.14523	0.6
243.13707	1.1
245.15350	0.7
255.08641	2.2
257.15271	3.2
271.16693	0.6
273.09631	4.5
279.20871	1.3
283.16895	0.8
293.22531	4.7
311.23511	0.9
321.21957	5.1
337.21320	0.8
339.23099	35.9
354.21237	1.3
355.22427	1.2
355.28305	0.7
357.24164	47.4
371.22205	0.8
372.22623	2.3
373.23041	2.2
375.25223	29.7
389.23007	5.2
390.23508	7.6
391.23978	3.3
408.24374	0.7
411.12753	0.6
467.27945	0.9
517.31860	1.1
608.04132	0.6
616.53027	0.6
715.34088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00295	0.3
53.03917	0.6
55.01846	0.8
55.05494	1.7
57.03416	4.6
57.07066	3.8
58.98318	0.4
59.04986	11.7
62.97282	0.4
65.03904	1.1
67.05487	29.2
69.03407	18.4
69.07039	1.7
71.04608	0.8
71.04972	16.2
79.05463	18.3
81.03380	0.4
81.07024	8.3
83.04980	4.3
83.08581	0.8
85.02875	2.1
85.06528	14.5
87.04443	6.0
91.05450	11.0
92.08852	1.1
93.07018	11.6
95.04936	40.7
95.08573	11.1
97.02866	0.8
97.06486	2.3
99.08091	0.6
101.05955	1.9
103.05421	0.4
105.07001	26.1
107.04922	2.6
107.08566	81.5
108.08910	0.5
109.06488	2.6
109.10137	3.5
111.07990	0.6
113.05978	59.5
117.06986	8.9
119.08546	13.1
121.06462	2.4
121.10117	8.9
123.08034	1.9
123.11665	1.0
125.39154	0.4
127.03880	0.4
127.07523	0.5
129.06953	4.0
130.07733	1.1
131.04868	0.7
131.08531	35.8
133.06430	1.0
133.10089	12.8
133.31044	0.4
135.08035	2.8
135.11653	5.5
137.05893	0.7
137.09567	1.7
141.06958	2.0
142.07779	1.0
143.08531	12.7
144.09077	0.5
145.06447	1.1
145.08583	10.9
145.10089	59.3
147.08026	3.7
147.11655	23.0
149.05960	1.8
149.09573	6.7
149.13211	2.0
151.07530	0.6
151.11168	0.6
155.08516	4.2
157.10107	11.8
158.07195	0.9
159.08015	3.0
159.11653	19.9
161.09579	7.9
161.13164	3.6
163.07401	0.6
163.11148	3.3
165.12738	3.6
169.10112	5.4
171.08034	1.6
171.11641	8.5
173.09569	37.3
173.13165	3.8
175.07486	0.7
175.11125	12.7
177.09019	1.0
177.12733	5.2
179.08508	0.6
179.10675	0.6
181.10118	1.1
183.11655	3.3
184.12396	0.5
185.09567	2.1
185.13150	3.3
187.07524	0.5
187.11163	7.7
187.14757	2.2
189.09032	2.0
189.12711	3.9
191.10614	22.3
191.12427	0.8
191.14232	7.4
195.11646	2.2
197.09554	0.7
197.13176	2.6
199.11157	1.9
199.14838	2.1
201.12651	2.4
203.10632	2.8
203.14218	0.6
205.12099	1.3
209.13165	1.9
209.15370	2.5
211.11104	0.9
211.14848	1.8
213.12721	0.6
213.16309	0.6
215.10666	3.5
215.14215	0.6
221.13234	0.8
223.14732	0.5
225.12794	0.9
225.16315	0.8
227.10593	0.6
229.12016	1.4
233.11546	0.5
235.14697	2.0
237.12593	0.7
241.12213	0.7
243.13721	1.7
249.16325	0.6
251.17813	0.5
253.19435	23.5
261.14697	0.6
271.20499	16.7
277.19409	2.2
289.21597	4.4
291.21060	3.2
295.20480	2.1
301.19519	2.2
309.21960	4.5
311.23569	0.9
313.21494	0.6
319.20444	11.1
327.23032	1.0
337.21515	35.7
355.22574	43.2
373.23630	100.0
374.24149	1.9
389.23096	1.0
390.23376	1.1
391.24664	93.6
392.25092	1.7
409.25766	15.5
593.23096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40503	0.4
52.19238	0.3
53.00282	0.4
53.03939	1.0
55.01864	2.2
55.05501	1.6
57.03427	3.9
57.07067	4.3
57.62478	0.4
59.04987	6.2
61.02915	4.4
65.03902	0.5
67.05492	19.5
69.03413	100.0
69.07045	3.8
71.04601	0.9
71.04971	15.5
73.02900	0.9
73.06525	1.1
77.06032	0.9
77.29699	0.4
79.05468	5.4
81.03397	3.8
81.07031	8.2
83.04971	2.7
83.08610	1.9
85.02888	32.1
85.06526	18.2
87.04445	5.1
90.46223	0.4
90.91443	0.4
91.03937	2.3
91.05440	3.1
92.08943	0.4
93.07008	5.6
95.04944	38.3
95.08586	7.8
97.02866	8.8
97.06503	8.6
99.04458	2.2
101.05989	1.1
101.59538	0.4
105.03355	0.6
105.06994	5.6
107.08574	3.7
109.02835	3.2
109.06507	0.7
109.10142	4.3
111.04425	2.0
113.05984	68.7
115.03927	0.6
117.03302	0.4
117.06984	0.8
119.08562	3.9
121.06542	0.6
121.10130	3.8
123.11728	1.8
125.02339	0.6
125.05990	0.8
127.03873	6.9
129.06969	0.7
131.08554	1.8
133.06488	0.7
133.10065	3.3
134.04343	0.5
135.11694	3.8
137.05992	2.5
137.09544	0.6
137.13257	1.0
143.08536	0.9
145.02872	1.8
145.04945	8.9
145.08574	26.3
145.10060	2.1
147.04413	0.7
147.11650	3.1
149.05991	0.8
149.13255	2.9
151.03937	2.1
153.05447	0.9
157.10126	0.9
159.08028	0.6
159.11685	3.2
161.05916	0.7
161.13249	2.7
163.06007	2.6
163.07330	0.6
163.11232	0.5
167.07030	3.6
167.08278	0.4
168.07500	0.5
169.10077	0.8
173.13260	0.5
175.07539	0.5
175.14809	0.8
177.05501	2.9
181.04857	0.5
183.11754	0.8
185.13144	0.7
187.07480	0.5
189.07635	1.8
197.13243	0.6
199.15024	0.5
201.16295	0.5
202.09848	0.6
209.13254	0.6
215.17972	2.2
229.19566	0.7
263.12680	5.1
291.21082	0.7
311.19992	0.6
319.26566	1.7
337.21341	4.9
337.27460	1.7
350.16614	0.6
355.22577	18.4
355.28421	2.1
356.23053	0.7
373.23642	14.7
373.29086	0.7
409.25592	0.5
506.54672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05495	1.0
57.03430	5.4
57.07074	5.6
57.29202	0.8
59.04993	8.1
61.02915	1.7
62.72751	0.7
65.03924	1.4
67.05493	33.4
69.03416	26.5
69.07054	1.0
71.04980	22.9
73.02924	1.1
79.05472	14.4
81.03400	3.4
81.07052	5.5
83.04965	2.1
85.02888	25.0
85.06527	24.6
87.04456	4.6
91.03963	1.4
91.05444	9.1
93.07034	6.6
95.04950	43.6
95.08589	5.4
96.36941	1.0
97.02868	7.8
97.06502	8.4
99.04457	0.9
105.07013	21.6
107.04940	1.1
107.08576	63.1
109.02831	1.1
109.06501	1.6
109.10136	1.8
113.05991	100.0
116.82918	0.8
117.07018	6.4
119.08566	9.2
121.10127	5.7
127.03888	6.1
129.06941	1.9
131.08540	23.0
133.10120	10.3
135.08043	1.4
135.11650	3.1
143.08536	9.7
145.04948	4.4
145.08617	12.5
145.10127	44.7
145.11214	1.6
147.08011	1.3
147.11674	16.1
149.09612	5.5
149.13249	1.5
155.08521	1.7
157.10088	7.6
159.08083	1.8
159.11681	11.4
161.09584	6.7
161.13179	1.4
163.11206	3.4
165.12714	3.9
169.10121	4.5
169.86882	1.0
171.11690	5.7
173.09583	27.6
173.13205	3.2
175.11153	9.7
177.12758	6.0
181.10051	1.2
183.11696	2.1
185.09616	1.4
185.13148	1.3
187.11182	4.6
189.07529	1.4
189.09164	1.3
189.12772	3.4
191.10663	14.9
191.14322	4.9
197.13344	3.2
201.12689	1.5
209.13251	1.0
209.15274	1.2
211.11160	1.6
215.10651	1.8
230.16029	1.1
235.14650	1.0
249.16472	1.2
253.19469	17.7
271.20416	12.4
277.19382	1.0
289.21463	3.5
291.21078	1.5
301.19495	1.7
309.22049	1.9
319.20578	9.2
337.21567	24.9
355.22571	31.2
373.23657	63.4
391.24701	90.1
392.24933	1.0
409.25699	14.3
458.42743	1.0
522.88855	1.0
609.68774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01863	1.8
55.05500	3.8
57.03431	5.6
57.07071	5.6
59.04990	12.8
61.02914	1.9
65.03916	1.1
67.05137	1.0
67.05491	23.8
69.03416	25.9
69.07055	2.2
71.04607	0.7
71.04977	17.4
73.02888	0.6
73.06533	0.9
79.05483	5.1
81.03393	2.8
81.07043	8.5
83.04961	8.8
83.08605	1.0
85.02888	29.2
85.06526	30.3
87.04446	24.7
91.03934	0.6
91.05452	4.1
93.07016	8.6
95.04943	36.2
95.08575	6.2
97.02876	7.0
97.06515	6.9
99.04434	3.1
101.05962	1.6
104.98782	0.4
105.07005	6.8
107.04924	0.5
107.08582	6.4
109.02859	2.3
109.06513	2.4
109.10149	2.6
111.04426	6.5
113.05988	100.0
115.07555	1.1
117.06997	1.7
119.04936	2.1
119.08564	5.6
121.06460	0.8
121.10103	4.0
123.08039	0.7
123.11657	0.5
125.05961	5.4
127.03886	3.3
127.07507	1.0
129.05467	4.5
129.06973	0.5
131.08524	4.6
133.10092	6.2
135.11665	2.1
143.07031	1.7
143.08470	3.1
145.02779	0.5
145.04968	3.9
145.07463	0.9
145.08586	20.7
145.10098	5.6
147.11659	4.9
149.09586	0.7
149.13274	0.6
149.99718	0.5
153.05437	6.1
155.07018	4.0
155.08551	0.9
157.10146	2.4
159.11661	6.7
161.09631	1.0
161.13229	2.3
163.06029	0.6
163.11197	0.7
165.12700	0.5
167.07018	0.6
169.10117	0.6
171.11623	1.0
173.13306	2.0
175.07494	0.7
175.14772	12.0
177.05479	0.5
177.09077	0.9
181.10056	0.8
183.11708	1.7
185.13243	2.3
187.14638	0.6
189.07532	1.7
189.09067	0.7
189.16348	0.8
191.10695	0.6
195.11649	0.7
197.13226	0.9
199.14775	2.2
201.16315	5.1
203.10629	0.7
211.14748	0.5
213.16345	0.8
215.10657	0.7
215.17886	1.8
217.12254	0.7
223.14775	0.7
225.12823	0.8
227.10843	0.7
235.14912	0.6
239.08961	0.5
240.07838	0.4
253.19556	0.7
255.13770	0.6
277.19577	0.6
291.21088	2.6
309.22052	1.0
319.20288	0.8
337.21521	9.1
337.27563	0.5
339.23090	3.3
352.01068	0.4
355.22601	18.6
357.24182	9.4
373.23660	49.4
374.23743	0.7
375.25214	9.6
391.24704	8.8
517.31683	0.9
567.55243	0.5
645.63177	0.5
714.31793	0.6
715.32721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34908	0.3
53.03941	0.5
55.01872	0.7
55.05509	10.2
55.18726	0.4
57.03428	5.8
57.07062	0.8
59.04990	9.3
61.02912	1.8
63.72253	0.4
65.03948	0.6
67.05496	7.6
69.03414	9.2
69.07046	2.0
71.01347	0.4
71.04974	7.8
73.06531	1.0
75.04488	0.6
77.06029	0.9
77.69694	0.4
79.05472	4.9
81.03400	2.5
81.07040	10.4
83.04962	24.1
83.08595	0.8
85.02893	58.6
85.06528	39.4
87.04453	100.0
89.06006	0.9
91.05475	4.8
93.07021	8.2
95.04944	5.1
95.08585	7.8
97.02867	6.2
97.06512	2.7
99.04440	10.1
101.06007	2.0
103.03932	0.7
105.07026	9.0
107.04923	0.5
107.08585	10.8
108.08881	0.6
109.02867	0.8
109.06515	1.0
109.10139	5.2
111.04426	22.7
113.05992	10.0
114.06329	1.8
115.07557	6.2
117.05487	2.0
117.06998	2.2
119.08564	5.9
121.10130	7.5
123.04368	0.5
123.11699	1.1
125.05984	1.7
127.03864	3.6
127.07501	0.5
129.05463	13.4
129.06985	0.6
131.08563	5.7
132.08864	0.7
133.10097	7.6
135.11678	8.5
136.33423	0.5
137.13142	0.5
139.07545	0.6
142.07727	0.5
143.07010	10.1
143.08542	4.1
144.09123	0.4
145.04964	1.0
145.08624	3.0
145.10072	7.0
146.10512	0.6
147.04404	0.8
147.08017	1.0
147.11649	5.2
149.09601	0.9
149.13255	2.3
151.11157	0.6
157.10126	2.8
159.08041	0.8
159.11659	3.8
161.08128	0.7
161.09541	1.5
161.12004	0.4
161.13223	4.4
163.07550	1.0
163.11127	0.7
163.14754	0.6
165.12706	0.6
167.07011	0.4
169.10106	0.9
171.07938	0.8
171.11702	2.7
173.13243	0.8
175.07507	0.6
175.11182	0.7
175.14804	1.0
177.05565	0.9
177.09137	2.0
183.11713	2.1
185.13264	3.3
187.11339	0.6
187.14778	3.5
189.09087	3.1
189.16382	0.9
190.09453	0.7
191.10664	0.5
191.14142	0.5
197.13257	2.0
199.14835	2.4
201.16365	1.0
203.10641	0.6
205.12207	1.7
211.14835	1.9
213.12787	0.5
213.16360	1.1
215.17996	2.0
227.17754	0.5
229.12335	0.5
229.15869	0.5
231.13805	2.7
237.07588	2.6
237.16302	0.7
239.14365	0.5
255.08659	1.0
257.15402	2.5
273.09720	3.5
279.21008	1.0
283.17108	0.6
292.94205	0.5
293.22601	5.0
303.21063	0.6
311.23621	0.9
321.22015	6.4
323.13388	0.7
336.20255	0.6
337.27451	0.8
339.23126	34.9
345.34863	0.5
354.21317	2.1
355.22226	1.0
357.24176	43.6
371.22314	0.6
372.22647	2.1
373.23306	2.0
375.20435	0.8
375.25220	24.5
389.23328	4.0
390.23517	5.6
391.23859	2.0
445.69168	0.5
517.31451	0.7
540.65466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
53.68692	0.6
55.01855	3.9
55.05492	2.8
57.03431	5.3
57.28160	0.6
61.02901	5.2
65.03904	0.6
65.44624	0.7
67.05482	4.8
69.03069	0.9
69.03414	23.8
69.07045	1.2
70.06559	0.6
71.04613	1.0
71.04976	27.6
73.02893	3.1
75.93287	0.5
79.05476	10.4
81.03397	31.4
81.07028	11.6
83.01289	0.8
83.04955	5.5
83.08581	1.1
85.02885	50.9
85.06525	1.6
87.04427	1.6
89.06010	74.1
91.03943	0.8
91.05447	7.9
93.07033	10.2
95.04951	7.4
95.08573	6.7
97.02867	61.1
97.06496	1.4
99.04425	9.9
101.24949	0.7
103.05441	3.5
105.07007	9.1
107.04269	1.1
107.04938	16.1
107.05636	1.3
107.08592	9.3
108.04465	5.2
109.02134	1.0
109.02863	18.6
109.06506	3.3
109.10109	5.4
109.66079	0.6
111.04414	3.6
115.03891	1.1
115.05427	9.7
116.06187	0.7
117.06995	27.1
119.04903	1.2
119.08570	6.9
121.06492	1.6
121.10079	6.0
122.03586	0.8
123.04399	5.8
124.05180	4.7
125.05962	12.1
125.09533	0.8
127.03890	21.7
128.06194	1.6
129.05482	0.7
129.06964	8.8
131.04906	3.9
131.08551	11.0
133.06483	3.5
133.10066	5.6
135.04402	2.6
135.06520	2.9
135.08012	1.2
135.11690	2.6
137.05922	6.9
141.06981	3.9
143.04892	1.2
143.08534	3.8
144.04742	0.8
144.05627	5.2
145.02847	2.7
145.04945	13.7
145.06459	63.5
145.10132	6.8
147.04364	2.5
147.08081	1.2
147.11646	6.1
149.05917	1.3
149.13202	1.1
152.04662	3.7
153.05428	10.2
155.04900	1.0
155.05925	5.7
155.07027	4.6
155.33624	0.6
156.05663	11.0
157.06500	3.3
157.10109	4.2
159.08020	12.1
159.11633	7.1
161.05956	6.2
161.13187	2.9
163.03844	3.2
163.06024	0.9
163.07516	1.1
163.11142	1.1
165.07010	0.9
165.09065	1.0
167.07005	68.8
168.07390	0.7
169.06430	1.1
169.10080	2.9
171.06366	0.8
171.11658	2.6
172.05032	1.0
173.05943	92.7
173.13239	3.0
174.06377	1.3
175.03830	0.9
175.07501	3.9
175.11113	0.9
175.14781	4.4
177.05417	4.5
179.07005	1.1
181.04947	6.4
181.08549	0.8
181.10025	1.1
183.06512	1.1
183.11548	2.5
184.05154	4.3
185.05864	0.9
185.09669	1.0
185.13181	3.5
187.07507	10.6
187.14786	1.0
189.05383	1.2
189.09084	1.2
189.12839	0.7
189.16310	1.2
190.06216	61.5
191.06956	4.3
193.08562	2.9
195.11652	0.9
197.13220	1.1
199.14876	2.3
201.16400	5.3
202.06160	5.6
203.06981	9.3
203.08585	1.0
203.10631	1.0
205.08560	100.0
206.08818	1.1
207.06467	3.9
207.10211	0.9
211.14813	0.9
213.16411	1.3
215.07019	1.4
215.17856	1.4
217.08565	61.3
219.08092	2.2
219.10124	5.4
223.09486	0.9
225.12718	0.7
225.16345	0.8
227.10643	1.2
231.08154	0.9
231.10155	0.9
233.07843	4.8
235.07266	1.0
235.09599	23.4
237.09093	0.7
243.08641	0.8
247.07460	1.6
247.09584	9.0
248.08205	3.2
251.07114	1.0
251.10245	0.7
255.13676	1.7
256.07208	0.8
261.09485	4.7
263.10892	1.1
265.10660	43.6
265.13510	1.4
269.08035	2.5
271.09653	5.4
276.07672	1.2
277.08450	0.7
277.19626	0.9
278.09412	0.9
279.10086	3.3
281.15088	1.1
289.08585	1.1
290.09686	1.1
291.10095	2.7
291.20911	3.0
293.08087	1.1
296.10379	1.2
299.09058	1.0
307.09555	3.3
308.10425	1.0
309.21964	1.2
311.12643	0.9
315.08554	7.9
319.09647	1.2
323.12656	2.9
325.10764	1.0
330.10843	10.4
331.11563	3.9
336.09528	1.1
337.10345	1.3
337.21341	12.7
339.12106	1.0
351.12146	3.8
353.10147	1.2
355.22580	22.3
356.12241	0.9
368.12421	1.2
371.14828	3.2
373.23669	39.2
374.23819	1.2
383.14813	13.7
399.13721	0.9
401.15842	21.2
411.45099	0.8
417.15353	4.8
535.28937	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	712.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76752	2.3
55.05484	4.3
57.07056	2.4
67.05482	13.5
67.35278	2.4
69.07044	5.9
71.08594	2.9
79.05471	18.6
80.04983	2.5
81.07024	14.1
82.06577	4.6
83.08620	2.6
85.02889	3.4
91.05462	25.4
93.07027	17.1
94.06544	35.3
95.07333	5.6
95.08579	13.8
105.07014	14.9
106.06496	4.3
107.08585	4.3
108.08098	15.9
109.10143	3.6
117.07013	10.2
119.08569	11.6
120.08138	2.7
121.10175	2.9
122.09650	3.7
129.69699	2.8
131.08540	5.7
132.08020	3.9
133.10139	3.0
134.09642	10.5
145.10002	3.0
147.10435	3.6
148.11166	3.4
151.63998	3.0
159.11674	2.5
173.04482	2.5
204.28499	2.6
216.05872	2.8
231.21281	4.0
243.21040	5.0
248.23669	4.9
260.23666	100.0
278.24869	5.2
304.09207	3.0
393.88928	2.6
502.46085	4.1
514.45782	13.3
516.47821	3.5
532.47034	29.4
618.95697	3.6
694.52057	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	714.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95731	0.5
53.03942	5.7
55.01860	3.0
55.05496	1.3
57.03415	2.8
59.04964	0.5
61.02906	3.2
67.05477	1.2
69.03075	0.7
69.03416	19.8
69.07043	0.6
71.04604	1.2
71.04972	27.1
73.02904	1.5
78.04675	1.0
78.65193	0.6
79.05479	8.8
80.04973	0.7
81.03402	27.4
81.07027	4.8
83.04940	4.6
85.02888	29.5
85.06490	0.9
87.04471	1.0
89.06012	80.4
91.05464	6.4
92.08675	2.4
92.09272	1.7
93.07016	3.7
95.04933	4.4
95.08592	2.6
97.02872	57.5
97.06486	0.7
99.04439	6.9
103.05430	3.8
105.07037	4.8
107.04933	17.9
107.08565	3.8
108.04471	5.3
109.02864	15.5
109.06488	1.1
109.10120	1.4
111.04427	1.0
115.03864	0.9
115.05434	10.2
117.07001	28.5
119.04930	0.9
119.08530	3.1
121.06490	1.0
121.10127	1.3
123.04403	6.3
123.11742	0.8
124.05176	4.1
125.05974	5.7
126.05449	1.0
127.03887	19.1
128.06216	1.3
129.06985	5.8
131.04878	3.0
131.08539	6.8
133.06461	1.5
133.10043	0.7
135.04388	1.0
135.06490	2.6
135.11671	0.9
137.05968	4.8
137.09521	0.8
141.06924	2.3
143.08458	1.1
144.05653	5.4
145.02823	2.6
145.04964	11.9
145.06459	71.1
145.10097	1.3
147.04390	1.5
147.08037	1.3
147.11639	1.1
149.05904	0.9
151.03947	0.7
151.07547	1.1
152.04654	3.5
153.05435	3.8
155.06000	8.1
155.07063	2.5
155.08315	0.7
156.05658	12.7
157.06454	4.2
159.08046	12.4
159.11670	3.9
161.05974	6.5
163.03915	1.2
165.09146	0.7
167.07005	75.8
169.06380	1.0
171.11630	0.9
172.05182	0.9
173.05949	100.0
174.06470	1.3
175.07497	3.6
177.05417	3.4
177.07477	0.7
179.07010	1.4
181.04912	5.0
181.08551	1.2
181.09988	0.7
184.05127	3.7
187.07491	10.7
190.06212	63.4
191.06894	2.7
193.08517	3.0
202.06245	8.3
203.06956	8.8
205.08568	97.0
207.06517	1.1
207.10088	1.0
208.05252	0.8
211.07539	1.0
215.07016	1.1
217.08572	60.8
219.08109	1.8
219.10117	5.2
220.08691	0.8
221.05907	0.8
223.09650	3.1
231.08032	1.2
231.10124	1.2
233.07944	1.4
235.07237	0.9
235.09567	26.3
235.14883	0.7
245.09602	1.0
246.19423	0.6
247.07437	3.3
247.09598	8.0
248.08321	1.6
249.08775	0.8
259.07254	1.0
261.09540	5.1
262.09879	0.8
263.10809	1.9
264.07764	1.2
265.10669	47.4
269.08090	3.1
271.09546	4.3
271.12204	0.7
276.07822	1.0
279.10196	2.6
282.08813	0.7
287.09064	0.8
291.09973	2.7
293.08160	2.6
296.10178	0.8
299.09146	2.2
307.09766	2.3
315.08517	8.5
315.91425	0.8
319.09464	1.3
323.12680	1.3
325.10721	0.9
330.10950	11.7
331.11661	3.0
337.10400	0.7
337.21564	1.4
339.12207	2.7
343.11789	0.8
351.12128	4.3
355.22675	6.2
368.12601	1.1
371.14755	3.8
373.23627	9.4
383.14795	15.3
385.16132	1.4
401.15833	20.4
417.15265	2.6
535.28827	3.5
586.84015	0.6
681.24042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56710	0.6
53.00298	0.9
53.03930	4.5
54.81651	0.8
55.01618	1.0
55.01863	13.3
55.05502	28.1
55.06458	0.6
57.03426	29.8
57.07061	4.4
59.04980	0.8
61.02914	6.3
63.37614	0.7
65.03909	2.0
66.96325	0.7
67.05488	89.6
69.03408	1.1
69.07053	25.5
70.24249	0.8
71.01337	3.6
71.04964	6.2
79.05471	78.0
81.03397	4.8
81.07035	71.7
81.96358	0.8
83.04964	30.0
83.08606	11.5
85.02876	3.5
85.06522	5.2
91.03936	1.2
91.05453	30.4
93.07018	100.0
95.04937	7.7
95.08580	52.6
97.02866	1.8
97.06504	16.7
97.10141	12.8
99.08095	1.1
100.01742	0.8
105.06364	1.0
105.07009	18.8
107.04945	1.1
107.08573	55.9
109.06498	1.9
109.10125	21.9
109.10841	1.1
111.08054	5.5
111.11691	0.9
117.06982	10.3
119.08550	17.8
121.06468	1.1
121.10123	25.9
123.08001	1.0
123.11683	5.0
125.09631	3.0
131.08485	7.7
133.10110	12.1
135.08031	1.4
135.11659	65.0
137.09610	1.9
145.10100	16.3
147.11658	5.8
149.13197	6.3
153.12694	12.6
159.11670	4.5
161.13248	3.8
163.11136	6.3
163.14786	1.7
169.10239	1.0
173.13222	5.6
175.14760	1.3
181.12187	12.3
187.14757	1.4
189.11104	1.0
201.16486	1.1
227.12848	1.1
243.21048	2.0
253.14241	1.6
255.15842	90.2
256.16348	1.3
261.22061	7.9
274.13776	0.9
317.24704	1.8
335.25726	53.4
336.25998	1.1
423.32404	3.8
441.33246	1.4
515.37201	72.6
516.37231	3.2
533.37994	5.0
584.89313	0.9
626.61072	0.9
649.95050	1.1
695.80884	1.0
708.87256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04996	0.5
51.34670	0.4
53.03932	2.5
54.81960	0.6
55.01861	9.7
55.05499	23.7
57.03424	24.1
57.07048	3.2
59.04982	0.7
61.02909	5.0
65.03922	2.3
67.05486	77.3
67.15091	0.5
69.03408	1.0
69.07050	21.9
70.73765	0.5
71.01325	3.4
71.04971	5.5
79.05466	61.9
81.03408	4.1
81.07029	64.2
83.04953	19.0
83.08597	10.5
85.02888	4.0
85.06509	3.6
91.05450	28.9
92.09340	1.2
93.07014	84.6
95.04935	7.6
95.08575	46.6
95.09205	1.2
97.02844	1.2
97.06501	14.7
97.10144	8.9
99.04427	1.0
99.08057	2.2
101.78506	0.5
105.04475	0.6
105.07001	16.1
107.04919	1.3
107.08566	49.1
109.06478	2.9
109.10132	19.3
111.08052	4.5
113.09644	0.6
117.06988	7.8
119.08550	15.7
121.06447	0.8
121.10104	25.1
123.07993	0.9
123.11675	4.0
125.09578	1.2
130.07747	1.0
131.08514	9.4
133.10104	10.5
135.08011	1.3
135.11653	54.6
135.19014	0.6
137.09587	1.1
145.10086	15.9
147.11665	4.2
149.13213	6.2
153.12718	8.8
157.10098	0.7
159.11627	5.4
161.13210	3.5
163.11166	5.7
163.14738	1.3
173.13211	3.2
175.14738	2.3
181.12207	9.1
187.14740	2.1
199.13217	1.1
227.12831	0.9
227.58429	0.5
243.21031	2.9
250.41202	0.6
253.14250	0.8
255.15834	52.6
261.22049	8.9
317.24698	2.9
335.25708	58.4
423.32419	0.9
459.33826	0.6
515.37170	100.0
516.37494	2.9
533.38043	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	712.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.42286	0.3
55.01861	1.4
55.05501	8.5
57.03213	0.3
57.03431	5.6
57.07056	0.7
57.21337	0.3
59.04761	0.3
59.04989	5.7
61.02910	0.5
62.95007	0.3
65.03922	0.5
67.05485	7.6
69.00445	0.4
69.03053	0.5
69.03413	7.4
69.07044	0.9
69.43314	0.3
71.01353	0.4
71.04972	7.5
73.02882	0.7
73.06538	0.6
75.04439	0.6
77.06039	0.9
79.05471	3.7
81.03391	2.3
81.07033	9.9
83.04460	0.5
83.04960	19.3
83.08582	4.2
85.02886	48.3
85.05987	0.6
85.06525	31.5
87.04446	71.9
89.06027	0.5
91.05453	4.0
93.07021	5.0
94.26903	0.3
95.04927	3.9
95.08575	10.9
97.02851	4.0
97.06513	2.4
99.04428	7.4
101.05974	0.7
105.03391	0.5
105.07015	5.8
107.08583	4.9
109.02892	1.4
109.06483	0.6
109.10148	4.8
111.04427	12.9
113.05975	10.4
115.07536	4.3
117.05489	1.6
117.07001	1.9
119.08540	5.3
121.06498	0.8
121.10117	5.5
123.04445	0.4
123.08033	0.3
123.11713	0.7
125.05975	0.6
127.03899	2.3
127.75205	0.4
129.05441	9.7
129.06979	1.5
131.08539	4.0
133.06483	2.5
133.10104	3.1
135.08029	0.9
135.11678	4.6
137.05963	1.5
143.07018	7.6
143.08560	2.3
145.02850	1.5
145.04926	1.9
145.08627	1.3
145.10069	3.8
147.08011	0.8
147.11664	2.4
149.13254	1.5
151.07446	0.7
155.08560	0.7
157.10072	2.0
159.08047	0.7
159.11671	3.8
161.05922	1.4
161.08229	0.7
161.09552	1.2
161.13205	7.0
163.03963	0.5
163.07529	1.8
163.14816	0.7
167.07071	0.4
167.08580	0.4
169.10054	0.7
171.08054	0.6
171.11685	2.1
173.13203	1.3
175.07489	4.5
175.14731	3.2
177.05420	2.5
177.09126	1.6
177.16331	5.5
179.06990	15.6
180.07567	0.3
180.73506	0.4
181.10088	0.6
181.71814	0.4
183.11656	1.5
185.13242	0.6
187.07599	0.7
187.11195	0.6
187.14873	0.6
189.09024	3.6
193.08597	0.8
195.11681	0.8
197.13240	0.8
199.14825	0.7
201.09154	0.6
203.10655	0.4
203.18002	0.7
205.08723	0.5
211.14740	0.4
213.09126	0.7
213.16281	0.5
215.10623	2.0
217.15735	0.5
221.08086	2.6
223.14723	0.4
227.10645	1.9
229.12215	2.3
231.13873	0.7
232.18195	0.4
237.07396	0.6
239.51114	0.4
241.12132	1.4
243.13695	0.7
255.08511	0.5
255.13654	2.5
273.09665	1.7
273.14868	1.8
281.15207	0.6
309.21985	0.5
313.21417	0.5
319.20670	0.5
335.20441	0.6
337.21506	12.2
353.21075	0.7
355.22577	11.6
371.21991	0.9
373.23642	100.0
374.23834	0.8
389.23108	2.1
485.89066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88559	0.5
53.00301	0.6
53.03930	0.8
55.01858	2.6
55.05489	2.8
57.03426	6.9
57.07069	5.4
59.04995	7.3
61.02903	2.9
67.05495	27.7
69.03415	50.3
69.07049	2.8
71.04973	18.8
73.02895	1.0
73.06534	0.7
79.05475	5.8
80.58537	0.6
81.03381	3.8
81.07037	6.3
83.04958	3.5
83.08596	0.7
85.02888	29.1
85.06526	21.0
86.60810	0.6
87.04462	5.3
91.03922	0.8
91.05471	5.1
93.07030	6.3
95.04941	36.3
95.08560	5.1
97.02867	9.3
97.06498	11.5
101.05982	1.2
103.05496	1.1
105.03378	2.3
105.07014	10.1
106.06544	3.5
106.07241	0.8
107.08572	8.2
109.02870	3.3
109.06579	0.9
109.10126	4.4
109.71878	0.7
111.04417	1.2
113.05984	100.0
115.07549	0.9
117.07005	5.8
119.04968	0.7
119.08548	7.6
121.06493	1.0
121.10120	2.9
123.11645	0.9
127.03886	6.5
127.07652	0.6
129.06976	3.0
130.07713	0.6
131.04907	6.2
131.08513	7.0
133.10085	6.4
134.67790	0.6
135.11667	2.4
137.05983	1.6
143.08531	7.3
145.02815	0.9
145.04904	6.6
145.06496	1.1
145.08569	17.8
145.10056	6.2
147.04340	0.8
147.08000	1.2
147.11658	6.3
149.05934	0.7
149.09560	1.3
149.13254	1.4
155.08507	1.0
157.10115	4.0
159.08069	1.1
159.11670	6.8
161.09561	3.8
161.13252	1.4
163.03868	0.7
163.07510	1.4
165.12621	0.8
167.07079	1.1
167.08510	0.7
169.10117	1.2
171.08000	3.0
171.11682	0.9
173.09547	0.8
175.07507	0.8
175.11226	1.5
175.14767	2.7
177.05403	2.8
177.09015	1.0
177.12772	0.9
179.08543	0.8
183.11678	1.1
185.09639	0.8
189.07489	2.6
189.09085	9.1
190.08586	0.7
195.11624	0.8
197.09492	0.8
199.14893	0.7
201.08994	1.0
225.09137	1.0
227.10631	1.1
232.20680	0.7
275.11154	0.9
307.20517	4.2
317.19028	1.3
325.21524	1.3
335.19919	6.6
341.21082	1.0
353.21005	10.5
371.22110	23.0
389.23132	56.6
407.24158	0.8
441.57599	0.7
711.42456	0.7
712.41937	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	712.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04976	0.9
55.05500	10.9
57.03434	6.3
59.04984	7.8
60.05629	1.1
61.02917	1.4
67.05489	9.4
69.03409	14.3
69.07053	2.1
71.04958	9.4
75.31863	1.1
79.05470	2.9
81.03408	2.3
81.07035	11.2
83.04961	20.8
83.08624	1.6
85.02883	47.1
85.06524	28.9
87.04447	64.7
91.05458	6.3
92.09119	7.1
93.07003	8.4
95.04935	15.4
95.08595	9.8
96.05323	1.7
97.02872	7.2
97.06529	2.9
99.04457	5.2
105.06998	12.2
107.08589	15.4
109.02907	1.6
109.06481	2.0
109.10172	2.7
111.04414	15.6
113.05980	27.7
114.06327	1.8
115.07542	2.1
117.06982	1.6
119.08575	6.7
121.10133	9.4
121.36977	1.4
123.11680	2.3
125.05963	12.9
125.70497	1.1
127.03911	5.0
129.05443	10.3
131.08562	7.2
133.10123	8.1
135.11687	4.6
141.06984	1.2
143.07008	5.1
143.08536	2.7
145.04950	2.7
145.08577	2.7
145.10129	8.9
146.07056	1.2
147.08009	1.8
147.11705	8.0
153.05431	13.6
155.07060	5.7
155.08543	1.9
157.10049	2.4
159.11690	9.0
161.13185	2.8
167.08493	1.2
169.10091	1.8
170.10518	1.3
171.11705	1.9
173.13249	2.2
175.14798	6.9
177.05450	1.2
183.11636	1.4
185.13211	2.3
189.08932	1.6
195.40573	1.4
197.13206	1.7
199.14787	1.9
201.16325	7.2
211.14636	1.5
229.12251	1.7
273.09515	1.7
291.21030	1.6
309.21942	2.2
319.20505	4.6
319.24161	1.4
335.25897	1.9
337.21497	16.3
353.20874	2.1
353.26691	4.6
355.22672	30.2
373.23636	100.0
374.23834	2.3
387.21487	5.7
388.21747	5.2
389.22189	2.7
430.03043	1.5
488.27267	1.7
533.30670	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	712.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26999	0.6
53.03925	1.7
55.01855	1.6
55.05493	1.4
57.03422	4.0
57.07058	1.6
59.04981	4.5
60.28320	0.8
61.02904	5.6
67.05491	18.8
69.03413	100.0
71.04658	0.9
71.04977	13.6
72.08115	3.1
73.02892	1.6
74.09663	0.9
79.05468	6.4
81.03404	6.3
81.07030	6.0
83.04958	3.4
84.04510	0.8
85.02888	38.1
85.06525	17.7
87.04440	7.1
91.03902	1.7
91.05453	5.7
92.09283	1.0
93.07030	6.5
95.04946	28.9
95.08566	4.9
97.02861	12.7
97.06504	9.4
98.04920	0.8
99.04442	1.2
101.05993	1.6
103.05458	6.4
105.07001	8.3
107.08639	6.1
109.02882	6.1
109.10145	4.5
111.04420	1.4
113.05190	2.0
113.05986	51.0
117.06956	1.7
118.08662	1.0
119.04861	3.2
119.08535	5.3
121.06484	0.9
121.10114	2.0
127.03844	7.3
129.07019	1.3
131.04898	17.6
131.08524	2.1
133.06517	1.5
133.10155	3.0
135.11684	1.6
137.05939	5.6
137.09573	1.9
143.08543	4.2
145.02847	1.9
145.04944	7.8
145.06563	1.3
145.08566	19.1
145.10068	1.7
147.04361	3.6
147.08020	1.1
147.11656	5.3
151.03964	0.9
155.08466	0.9
157.10083	1.8
159.08031	0.8
159.11662	1.4
161.13187	1.3
163.03868	1.8
163.06049	1.7
163.07506	5.4
167.07018	3.6
173.06007	1.1
173.13129	1.1
175.03915	1.6
175.07492	3.2
175.14771	3.7
177.05463	3.4
181.10101	1.4
187.07492	1.7
189.07620	0.8
190.06152	3.1
191.03470	1.0
191.06972	0.9
195.11635	1.2
197.09546	1.1
197.13199	0.9
203.17989	1.1
207.06500	4.2
216.99681	0.9
221.08018	8.1
225.08965	1.7
227.10649	3.5
239.10594	1.3
241.12186	1.4
271.09726	1.9
335.19989	6.9
337.21356	1.1
353.21030	10.8
354.21310	0.9
371.22144	18.6
373.23584	4.0
389.23129	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
53.27564	0.4
54.06955	0.4
55.01857	0.7
55.05501	11.2
57.03426	6.4
57.07042	0.5
59.04985	8.0
61.02902	2.0
65.03907	0.8
67.05490	8.9
69.03074	0.5
69.03417	10.8
69.07056	0.5
71.01324	1.7
71.04968	10.9
73.02905	0.6
73.06528	1.0
75.04453	0.7
77.06012	1.0
79.05479	4.0
81.03389	3.1
81.07033	5.9
81.15453	0.6
82.04157	0.7
83.04965	23.7
83.08604	0.5
85.02886	67.1
85.06525	40.8
87.04446	92.0
89.05984	0.5
91.05466	3.3
93.07022	6.0
95.04944	10.9
95.08572	3.9
97.02877	6.0
97.06506	2.9
99.04423	8.7
101.05993	0.8
105.07013	6.8
105.33112	0.5
107.04942	0.5
107.08572	6.2
109.02840	0.9
109.06496	0.7
109.10115	2.0
111.04421	25.8
113.05989	19.4
114.06307	2.0
115.07556	6.2
117.05463	2.3
117.07014	1.1
119.08562	5.1
121.10135	4.1
125.05945	2.5
127.03900	3.8
129.05443	14.4
129.06958	1.0
131.08530	4.3
133.10085	5.4
135.07971	0.5
135.11656	0.6
143.07014	11.7
143.08554	1.1
145.04915	2.4
145.08560	1.9
145.10085	3.8
146.08875	0.5
147.08003	0.5
147.11688	4.8
149.09537	0.5
153.05417	0.7
157.10098	3.2
159.11685	4.1
161.08124	1.1
161.09616	0.7
161.13200	1.1
163.06143	0.6
169.10130	0.8
171.11632	2.0
173.09610	0.7
173.13242	2.4
175.14787	14.1
177.09102	0.5
181.97226	0.5
183.11650	0.8
185.13229	0.9
187.14812	0.5
189.09061	0.6
191.73157	0.5
197.13243	2.1
199.14688	0.7
203.10663	0.6
213.16345	0.5
227.17952	0.7
237.07513	0.7
255.08528	0.8
273.09583	0.8
306.15024	0.5
337.21442	3.7
355.22519	11.2
373.23642	100.0
374.23938	3.0
403.21069	3.6
404.21170	1.9
405.22479	2.4
412.88287	0.6
414.26517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01862	1.7
55.05497	0.6
57.03422	4.6
57.07064	5.4
59.04714	0.4
59.04989	7.5
61.02901	2.4
65.03922	1.7
67.05489	25.1
68.09969	0.3
69.03412	19.3
69.07045	1.5
71.04974	20.1
73.02901	0.9
73.06530	0.6
79.05471	3.6
81.03387	2.9
81.07036	3.4
83.04958	2.4
85.02885	17.2
85.06524	24.5
87.03990	0.5
87.04452	6.1
91.03900	0.7
91.05453	2.9
93.07023	3.5
95.04944	38.3
95.08574	2.4
97.02860	4.6
97.06509	8.7
99.04443	0.4
99.08080	0.6
101.05977	1.4
105.07014	5.5
107.04951	0.4
107.08579	3.5
109.02854	1.8
109.06509	1.5
109.10160	0.8
111.04427	0.6
113.05983	100.0
115.03883	0.4
117.07006	1.5
119.08561	3.3
121.06470	1.5
121.10090	1.5
125.05170	0.4
125.05949	3.7
127.03897	3.1
129.06969	0.8
131.08513	4.5
133.10188	2.5
135.08041	1.4
141.07016	0.4
143.08539	3.1
145.04919	4.3
145.06772	0.5
145.08583	19.3
145.10092	3.8
147.08037	0.5
147.11653	1.3
149.09633	0.5
153.05453	2.2
155.08527	1.5
157.10089	3.9
159.08054	0.5
159.11647	3.8
161.09616	0.8
163.06036	0.7
167.08678	0.7
169.10098	1.7
171.08073	0.4
171.11624	3.0
173.09541	0.5
173.13168	2.8
175.07614	0.6
175.11168	0.5
176.44621	0.5
177.09059	0.7
181.10085	1.9
183.11682	2.2
185.13206	1.6
187.11095	0.5
189.07503	0.7
189.09061	2.6
193.10179	0.4
194.87498	0.4
195.11664	1.7
197.13278	2.0
199.11148	1.7
199.14783	1.9
203.10606	0.6
207.11739	0.6
209.13348	0.6
211.03473	0.4
211.11212	0.4
211.14821	0.5
213.16325	0.6
217.12277	0.7
221.13177	1.3
223.14857	0.9
225.09003	0.5
225.12747	0.4
227.10594	1.4
227.14125	0.4
231.13716	0.6
233.13252	0.8
235.14664	0.5
241.12080	0.5
247.14656	0.6
249.16365	0.6
251.17870	0.6
255.13634	0.5
260.15631	0.5
265.19644	0.4
275.17844	0.8
279.13699	0.5
281.15247	0.4
283.16858	0.6
289.19495	2.1
293.18866	0.6
307.20514	2.2
311.19995	0.8
317.19003	2.1
325.21490	2.0
335.20038	8.4
353.20993	18.9
371.18411	0.4
371.22076	25.6
389.23141	35.6
407.24295	0.6
487.05142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25018	0.5
53.03933	0.7
55.01881	0.9
57.03434	4.9
57.07073	5.6
59.04989	7.4
60.74603	0.5
60.89718	0.5
61.02919	1.4
65.03927	1.1
65.20177	0.5
67.05490	28.1
69.03064	1.0
69.03416	20.5
69.07053	3.2
71.04976	19.7
79.05461	4.7
81.03401	2.5
81.07040	6.1
83.04987	2.7
83.08614	1.1
85.02440	0.6
85.02886	21.3
85.06530	22.7
85.70393	0.6
87.04443	10.3
91.05458	3.9
92.08832	3.3
93.07014	5.6
95.04947	34.8
95.08564	4.3
97.02869	5.7
97.06518	9.5
99.04437	2.4
101.05974	0.9
103.54115	0.6
105.07011	5.1
107.08571	4.2
109.02877	1.4
109.10139	3.9
111.04426	0.8
113.05986	100.0
115.03948	0.7
117.03432	0.6
117.06968	1.0
119.08532	4.3
121.10136	3.0
123.04401	0.9
123.11694	0.8
127.03899	3.3
127.07598	1.0
129.06949	1.0
131.08528	2.4
133.06528	0.8
133.10129	3.2
135.11668	1.0
137.05977	1.4
139.07645	0.6
143.07104	0.7
143.08539	2.6
145.02792	0.9
145.04933	4.0
145.08575	18.1
145.10126	2.2
147.08012	0.9
147.11652	3.7
157.10135	0.8
159.11688	4.0
161.05974	2.9
161.09581	1.0
161.13235	3.4
163.06119	0.8
163.07527	1.2
169.10027	1.4
173.09508	0.7
175.07529	1.3
175.14769	5.5
176.08257	5.7
177.05421	2.6
179.06973	0.8
181.08511	0.6
183.11655	0.8
185.13234	1.0
187.07567	0.9
189.07578	0.7
189.09100	2.6
199.14761	1.1
206.79311	0.6
207.10127	4.8
211.11217	0.8
215.10712	0.6
217.12280	0.7
241.12222	3.0
255.13829	0.6
257.09955	0.8
285.18661	0.6
335.19928	4.7
337.21579	4.0
353.20950	4.2
353.26917	1.0
355.22681	3.3
364.32083	0.7
371.22037	2.5
373.23648	8.3
389.23145	55.7
405.57181	0.6
453.22162	0.6
650.04187	0.7
712.42957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.01854	0.8
55.05262	0.5
55.05502	8.9
57.03426	6.4
59.04987	7.8
61.02909	1.5
62.83772	0.3
67.05482	3.8
69.03412	6.0
69.07042	0.7
71.01332	0.7
71.04971	6.1
73.06537	0.7
75.04446	0.8
77.06021	1.4
79.05454	3.8
81.03402	2.2
81.07028	5.1
82.04211	0.4
83.04455	0.7
83.04955	18.8
83.08588	0.6
85.02881	52.6
85.05994	0.8
85.06520	32.3
87.04445	84.3
91.05454	6.4
91.21683	0.3
92.08636	0.7
93.07011	5.8
95.04946	1.8
95.08581	4.0
97.02868	3.6
97.06492	1.6
99.04417	7.8
99.05021	0.5
101.05999	1.6
105.07005	7.4
107.04967	0.4
107.08556	7.6
109.02862	1.6
109.06510	0.5
109.10114	2.0
111.04415	15.4
113.05987	1.3
115.05418	0.4
115.07538	5.2
116.06216	0.5
117.05484	2.2
117.06989	2.0
119.08548	6.6
121.06410	0.4
121.10091	1.7
123.04430	0.6
123.08028	0.3
127.03882	2.8
129.05453	11.6
129.06920	3.6
131.08521	6.9
133.06462	0.7
133.10088	4.8
136.73074	0.3
137.05980	0.4
141.07043	0.4
143.07007	9.4
143.08510	2.1
145.04935	0.8
145.10068	2.4
147.08005	1.4
147.11659	4.5
149.13271	0.5
155.08499	0.5
157.06529	0.4
157.10086	2.2
159.11674	3.2
161.08044	1.9
161.13139	0.4
163.07529	0.6
167.08551	0.5
169.10103	0.8
171.08000	0.5
171.11595	1.4
173.09653	0.4
173.13199	1.7
175.07492	14.4
175.14774	18.1
177.09067	0.4
179.07001	1.9
179.14211	0.5
181.10103	0.4
183.11691	0.7
185.09497	0.4
185.13280	0.4
189.09041	1.4
193.12135	0.4
195.11635	0.6
211.14751	0.3
215.10757	0.6
228.57460	0.3
235.14771	0.5
237.07533	1.9
241.12134	1.4
253.12177	0.7
255.08525	1.4
273.09543	1.8
335.20035	4.1
353.20978	11.1
371.22067	100.0
372.22443	0.7
456.19751	0.3
477.28595	0.6
481.26920	0.3
652.98944	0.3
710.40326	0.5
723.72162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49585	2.0
55.05489	1.9
56.96554	20.0
67.05486	9.0
69.03422	2.5
71.95230	1.9
79.05476	4.4
81.03412	2.2
81.07047	8.7
83.04908	2.5
84.96018	12.6
86.18770	1.9
91.05456	3.5
92.63597	2.2
93.07023	8.4
94.21387	2.3
95.08585	3.0
98.97563	62.7
105.07032	3.1
107.08591	3.5
110.97568	2.9
116.98601	56.8
119.08585	3.9
121.10130	3.2
128.98582	16.5
134.99660	25.8
135.11655	2.5
143.00119	9.0
145.10043	3.9
146.99605	22.3
158.99660	13.0
161.01166	16.9
170.99660	10.8
177.00717	14.6
182.99632	2.5
183.92445	2.2
189.00705	13.4
201.00674	10.3
207.01711	4.1
219.01761	21.3
231.01691	4.7
237.02808	22.4
249.02696	4.3
255.03758	2.8
279.69952	2.2
283.15500	2.2
309.11270	2.1
331.06570	2.0
373.16821	2.6
380.68378	2.3
402.28790	2.1
415.21426	10.4
433.22598	9.0
437.21985	2.6
445.22519	3.9
457.22208	4.8
475.23438	8.8
493.27530	2.8
535.25763	31.9
649.28870	100.0
667.29852	3.0
709.30267	9.4
709.41064	3.3
728.09607	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	710.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30642	0.2
53.00291	0.4
53.03929	0.9
55.01853	1.1
55.05233	0.4
55.05500	10.7
57.03422	6.8
57.07055	0.3
59.04983	7.8
60.02124	0.4
61.02903	1.2
65.03925	0.2
65.25375	0.2
67.05482	3.3
68.06548	0.2
69.03413	5.7
69.07042	0.9
69.32030	0.2
71.01328	1.2
71.04970	6.3
72.54233	0.2
72.85310	0.2
73.02888	0.5
73.06532	0.8
75.04456	1.4
77.06016	1.7
79.05469	3.8
81.03398	3.1
81.07030	6.8
82.04178	0.5
83.04957	22.8
83.08605	1.1
85.02882	58.5
85.06520	38.9
86.03210	0.3
86.06048	0.2
87.04442	100.0
87.08100	0.3
89.06000	1.0
91.05450	7.3
91.92818	0.2
93.03405	0.2
93.07014	6.7
95.04933	2.4
95.08562	4.3
95.44003	0.2
97.02866	4.6
97.06493	2.0
99.04425	10.2
99.05859	0.2
100.52287	0.2
101.05987	1.2
103.03895	0.3
103.05486	0.3
105.03382	0.3
105.07010	7.6
107.04906	0.5
107.08562	7.8
109.02840	1.3
109.06483	0.5
109.10139	2.4
110.05988	0.4
111.04414	17.9
111.08006	0.2
113.05956	1.8
115.05434	0.3
115.07528	5.8
116.06224	0.4
117.05458	1.6
117.06947	1.7
119.08561	7.3
120.32600	0.2
121.06483	0.5
121.10120	2.1
123.08015	0.3
125.05989	0.4
127.03871	3.1
128.06175	0.3
129.05446	14.5
129.06897	2.9
130.07715	0.3
131.08543	7.3
131.09550	0.3
133.06468	1.0
133.10097	5.6
135.08041	1.0
135.11684	1.1
137.05916	0.4
141.06950	0.4
142.07787	0.4
143.07013	10.3
143.08537	2.1
145.04913	1.0
145.06454	0.4
145.08528	0.2
145.09032	0.2
145.10114	3.4
147.04352	0.2
147.08041	1.5
147.11658	5.5
149.09593	0.5
149.13242	0.4
151.07495	0.4
152.36308	0.2
153.05464	0.3
155.08488	1.6
157.10083	2.4
159.08069	0.9
159.11646	3.3
160.09711	0.3
161.08070	1.6
161.09508	0.8
161.13225	1.1
163.07500	1.2
167.08505	0.2
168.09352	0.3
169.10100	1.2
171.08018	0.3
171.11676	1.1
173.09604	0.3
173.13235	1.4
175.07495	17.7
175.11331	0.7
175.14774	21.3
177.09041	1.2
179.06989	1.9
179.08498	0.5
181.10097	1.1
183.11696	0.9
185.09518	0.3
185.13232	0.9
189.09036	2.1
193.10143	0.3
193.12151	0.9
195.11633	0.4
197.09578	0.3
197.13174	0.5
199.05930	0.4
199.11165	0.3
201.09129	0.9
201.16319	0.2
207.11725	0.3
209.13237	0.3
211.13187	0.4
213.12787	0.3
215.10582	0.5
219.11731	0.3
223.14772	0.2
225.09061	0.5
227.10634	0.9
233.13240	0.2
235.14651	0.3
237.07457	1.6
241.12221	1.5
243.09978	0.3
247.14786	0.3
249.16281	0.2
255.08597	1.5
267.15994	0.4
271.13165	0.2
273.09497	1.7
279.13748	0.5
279.20914	0.2
289.19278	0.3
307.20383	0.3
311.19919	0.2
325.21643	0.4
335.19977	3.9
351.18896	0.3
353.20999	12.0
355.22632	0.3
371.22055	97.7
372.22430	1.5
412.24927	0.5
459.27261	0.5
477.28137	1.0
503.08017	0.2
710.40546	0.4
744.66486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89881	0.7
52.33084	0.8
55.05494	3.8
56.96558	17.7
57.03430	1.5
67.05466	3.5
67.33125	0.7
69.03398	1.8
69.07047	1.7
71.04988	1.2
71.95228	0.8
79.05475	4.1
81.03384	3.7
81.07034	7.6
83.04942	1.1
83.08620	1.2
84.96021	4.2
85.02885	1.9
85.06518	4.9
91.05458	5.4
92.08863	7.4
93.07031	6.8
95.08575	4.8
98.97561	51.5
105.07005	7.1
107.08577	6.4
109.06511	1.0
109.10130	3.4
110.97573	6.5
112.99205	0.9
116.98595	45.9
119.08563	5.6
121.10135	3.8
123.08077	1.2
124.99054	0.9
128.98608	19.7
129.06969	1.7
131.00175	1.3
131.08556	4.3
131.19063	0.9
131.93147	0.9
133.10100	5.4
134.99643	21.3
135.11691	1.2
140.98602	1.1
143.00137	8.7
143.08525	1.5
145.02864	1.2
145.10088	5.6
146.99629	17.0
147.11678	5.1
149.01175	1.8
149.13197	4.3
152.62021	0.8
152.98567	2.1
153.00699	1.4
157.10136	3.3
158.99602	10.0
159.11671	4.0
161.01163	10.1
161.13239	9.9
162.99153	3.5
163.11133	1.4
165.00668	2.9
170.99661	6.5
171.11656	1.6
173.01219	3.8
173.13171	1.0
174.99100	0.9
175.14806	1.8
177.00688	16.5
179.02213	1.7
185.01118	1.0
185.13269	1.5
189.00661	10.4
191.02132	1.1
195.01714	1.9
199.14804	1.5
201.00633	6.3
207.01747	4.4
211.14871	1.2
213.00623	1.4
219.01724	20.1
222.80611	1.2
225.16330	1.2
231.01738	5.5
237.02773	31.9
249.02899	7.9
255.03799	2.1
260.04465	1.1
267.03833	4.3
281.22672	3.7
291.03748	4.7
348.11728	1.0
349.23645	1.2
391.21396	5.0
397.20309	1.1
409.22610	1.8
415.21457	8.5
433.22330	6.5
451.23590	1.7
517.24359	5.1
535.25708	24.2
553.26965	1.4
649.28815	100.0
690.32227	1.2
709.30634	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	708.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45057	1.5
53.03929	10.2
55.01872	15.5
55.05296	1.7
55.05507	24.9
57.03431	26.2
59.04988	2.3
61.02905	10.2
65.03926	2.8
67.05493	77.6
69.03417	9.7
69.07054	18.6
71.04977	9.2
73.02934	1.6
79.05477	69.0
81.03400	100.0
81.07037	67.7
83.04964	38.8
83.08602	28.2
85.02894	45.8
85.06536	3.5
87.04440	3.1
91.05460	61.6
93.07021	65.0
93.07622	2.5
95.01292	3.2
95.04945	58.9
95.08575	30.2
97.02858	10.4
97.06504	18.2
97.10154	3.9
99.04443	3.5
105.07014	42.1
107.04941	45.9
107.08578	40.4
107.09306	2.6
109.06487	9.7
109.10149	8.2
111.04429	28.5
111.08086	17.7
113.06018	6.8
115.05469	2.4
117.07001	18.7
119.08559	48.1
121.06455	7.1
121.10131	55.9
123.04413	2.4
123.08007	2.8
125.05904	1.6
125.09625	2.4
127.03870	2.6
129.06978	17.8
130.07739	1.7
131.04948	7.1
131.08533	35.4
133.06453	3.7
133.10115	18.5
135.08012	3.2
135.11671	41.9
135.12656	2.1
137.05943	2.1
137.09656	2.2
142.07774	2.1
143.08560	3.2
145.06471	10.5
145.10100	58.6
147.08051	9.6
147.11670	16.3
149.09616	15.5
153.12738	13.0
155.08553	18.1
157.10115	18.8
163.11150	51.3
165.12756	2.3
173.09581	37.0
175.11116	18.0
181.12196	15.4
191.10670	19.5
193.12221	44.8
209.11702	7.1
211.13251	50.4
211.15228	2.3
212.49339	1.7
227.12762	13.8
265.14279	81.8
266.14563	2.3
267.15845	18.8
283.15335	50.9
285.16904	35.3
301.16400	41.2
338.74149	1.9
355.22662	2.7
368.10873	1.6
368.15527	1.8
373.23639	6.2
419.73883	1.9
457.25641	16.5
475.26901	51.7
493.27863	72.1
494.28198	2.1
497.32932	1.8
511.28961	68.2
512.29132	2.5
708.40723	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	708.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21459	3.8
57.07067	57.1
93.84153	5.5
165.09084	4.7
167.26288	4.4
224.60185	4.5
251.04662	17.6
327.07776	100.0
383.13980	45.8
436.25146	5.9
439.20261	82.2
495.26495	94.7
551.32654	24.3
571.30493	5.7
607.38770	65.8
656.77429	5.2
663.45197	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35563	2.6
52.81529	3.1
53.03942	7.1
55.05503	43.6
55.19660	2.7
57.03431	28.5
57.05918	3.0
58.80127	3.2
67.05489	94.5
68.37934	3.1
69.03430	25.2
69.07052	25.2
69.81782	3.2
71.04978	3.3
72.18170	2.9
72.18996	4.0
79.05470	84.3
81.03397	100.0
81.07034	98.9
83.04543	4.4
83.04943	33.8
83.08604	31.7
85.02897	28.0
91.05454	66.9
92.08846	5.2
92.64076	4.6
93.07014	71.2
95.04936	40.2
95.08591	57.4
97.02861	18.9
97.06516	4.0
105.07012	50.7
107.04932	6.8
107.08588	35.6
109.02857	5.9
109.06446	4.3
109.10155	20.3
111.04406	5.7
111.08051	12.8
117.07021	14.1
119.08528	32.9
121.10122	31.9
123.08016	5.3
123.11687	5.7
129.07008	8.7
131.08537	18.8
133.06523	4.1
133.10121	19.6
135.11633	7.8
145.10074	16.2
147.11691	22.5
155.08527	6.1
157.10127	19.9
161.69223	3.8
163.11107	5.6
165.12733	3.5
175.11182	14.3
193.12195	38.1
206.58853	4.0
211.13258	50.9
261.22067	8.7
267.15936	5.7
285.17010	15.1
335.25674	74.8
429.21173	16.5
527.37305	8.7
545.38361	83.9
629.20917	4.2
689.42651	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05867	0.6
50.81003	0.7
81.06999	1.0
87.04462	1.8
91.47530	0.8
92.08749	4.5
92.09384	1.8
104.03419	0.8
259.86151	1.0
275.98044	0.9
707.37518	100.0
708.37561	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	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50201	3.0
53.03932	7.7
55.01860	6.1
55.05507	47.4
57.03415	22.9
67.05491	96.5
69.03431	29.0
69.03728	3.6
69.07041	26.4
71.04971	5.4
79.05472	78.3
81.03394	100.0
81.07042	85.8
83.04973	33.9
83.08613	31.3
84.31172	3.6
85.02878	26.0
91.05473	45.3
92.09339	9.5
93.07026	84.4
95.04949	42.9
95.08584	53.4
97.02840	17.2
97.06517	6.2
97.10144	4.2
98.44627	4.2
105.07011	49.2
107.04933	7.4
107.07936	3.8
107.08549	32.1
109.02913	5.9
109.06485	6.2
109.10150	17.5
111.04405	7.5
111.08054	7.5
117.06986	15.7
119.08588	37.5
121.10119	25.2
123.11718	6.3
129.06982	14.8
131.08527	33.9
133.06438	4.5
133.10074	21.5
135.11652	18.5
143.08514	4.4
144.23441	4.2
147.11659	10.5
149.09601	4.8
157.10110	21.5
159.11641	5.8
161.13126	5.5
175.11108	7.5
193.12138	36.3
211.13286	45.0
232.30241	4.3
285.16904	18.5
335.25784	53.3
367.22568	4.4
403.63275	5.5
429.21045	6.4
545.38324	71.0
653.39960	5.3
689.43048	29.5
698.37134	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	707.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
54.82785	0.5
55.01853	2.2
55.05500	4.9
57.03415	3.2
57.07063	0.9
61.02901	1.3
65.03914	0.6
67.05486	16.9
67.34760	0.5
68.25643	0.5
69.03412	12.4
69.06692	0.5
69.07034	4.3
71.04976	3.0
73.02892	1.0
78.59495	0.6
79.05467	12.4
81.03376	3.2
81.07034	19.0
83.04964	1.4
83.08601	3.7
85.02405	1.0
85.02881	14.8
85.06522	2.2
91.05453	16.6
91.39188	0.6
93.07015	20.9
95.04942	11.2
95.08578	12.7
97.02864	3.7
97.06484	4.2
98.97559	0.7
99.04436	1.1
105.07004	30.0
107.04890	0.7
107.08569	18.3
109.02827	2.1
109.06469	2.3
109.10137	8.7
111.04419	0.7
113.05980	15.0
115.05430	1.2
116.06174	0.6
116.98596	1.1
117.06991	10.0
119.04864	0.6
119.08547	19.6
121.06495	4.3
121.10123	11.3
123.04404	1.0
123.08016	1.1
123.11696	0.8
124.12703	0.6
125.05962	1.1
127.03867	2.7
128.06186	2.3
129.06969	11.2
131.08530	18.3
133.06477	1.4
133.10109	15.4
133.11110	0.6
135.08014	1.4
135.11641	9.3
137.05904	0.8
139.07532	1.2
141.05397	0.7
141.06978	2.9
141.63184	0.5
142.07703	3.0
143.08545	14.8
144.09241	0.8
145.04936	0.7
145.06482	0.7
145.10089	15.9
147.08014	4.0
147.11658	18.0
149.05937	0.8
149.09555	0.8
149.13246	5.5
149.14279	0.6
153.05519	0.8
155.08496	8.7
156.09380	0.8
157.06444	1.1
157.10083	14.1
158.10838	0.6
159.08031	2.5
159.11653	17.3
161.05957	1.2
161.09567	1.0
161.13220	19.1
163.07480	3.2
165.06937	0.9
167.08551	3.7
168.09334	2.4
169.10088	8.7
170.10794	0.6
171.08026	3.0
171.11613	8.7
173.09566	1.3
173.13197	5.4
175.07506	16.0
175.14760	3.5
177.09004	2.4
179.08499	1.0
180.09293	0.7
181.10107	6.8
182.10886	0.9
182.15346	0.6
183.11655	14.3
185.09612	3.2
185.13234	7.3
187.07520	2.2
187.11143	1.1
187.14777	2.7
189.09050	6.6
189.16440	1.0
191.10606	0.9
193.08565	1.1
193.10129	2.4
194.10855	0.7
195.11681	7.3
197.09518	0.9
197.13216	6.6
199.11061	1.1
199.14790	5.8
201.09091	3.1
201.12668	1.3
201.16336	2.3
203.10602	3.6
203.14209	0.7
209.09549	3.4
209.13158	6.7
211.11111	4.2
211.14714	4.4
213.09058	1.1
213.12587	1.1
213.16345	3.5
215.10664	0.9
215.14259	0.9
215.17905	5.0
217.12196	2.2
219.11739	0.7
221.13228	2.5
223.14723	2.4
225.12749	1.2
225.16327	1.3
227.10583	12.3
229.12169	14.5
231.13770	0.7
231.17368	1.0
235.14729	4.3
237.12639	2.5
237.16359	2.0
241.12253	5.7
243.13708	4.5
247.13109	2.1
249.16370	2.2
251.14095	0.7
251.17874	2.8
253.19475	6.2
255.13631	6.3
259.13196	0.7
263.18005	1.0
269.15421	1.0
271.16656	0.9
273.14655	0.8
277.19424	3.3
281.15268	3.2
281.22641	2.3
291.17685	0.9
291.20935	8.2
295.05923	0.7
295.16891	2.9
295.20316	0.7
301.19424	1.2
309.18918	0.8
309.22095	6.0
319.20465	9.5
327.23022	0.8
337.21524	82.3
338.21790	0.8
355.22568	76.1
356.22861	1.1
373.23630	100.0
374.23877	1.4
415.24350	0.9
430.03757	0.6
433.25839	6.9
462.74704	0.6
647.27527	0.9
707.38629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55684	0.3
52.20313	0.3
62.07543	0.3
63.12792	0.3
68.49468	0.3
78.45145	0.4
92.08929	0.9
119.01904	1.5
131.01883	0.5
143.01933	0.6
149.67870	0.3
155.02037	0.4
159.59140	0.3
161.02945	2.0
173.02913	2.3
185.02870	2.6
185.04231	16.8
197.02858	1.4
203.05244	47.8
203.88594	0.4
215.04005	0.8
216.03812	0.5
245.05005	8.6
246.05145	0.4
248.30354	0.4
257.05206	0.8
263.06097	0.9
305.06888	0.5
365.10471	100.0
366.10760	1.7
381.07895	0.5
425.11490	2.1
484.60074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90296	0.7
54.82018	1.0
55.01840	1.0
55.05499	5.2
57.03414	3.3
57.07032	1.0
67.05191	0.9
67.05495	15.2
69.03106	1.0
69.03417	13.8
69.07047	5.1
69.95637	0.7
71.04978	4.0
73.02888	0.7
79.05109	1.0
79.05480	15.0
81.03387	4.1
81.07038	20.3
83.04974	1.6
83.08607	3.8
85.02897	16.5
85.06519	1.4
91.05460	17.3
93.07017	21.7
95.04945	12.0
95.08581	13.9
97.02878	4.5
97.06518	3.6
105.07015	27.3
107.08574	21.2
109.02860	2.0
109.06458	1.5
109.10136	10.9
111.04455	1.0
111.08084	1.5
113.06001	15.1
114.59057	0.9
115.05429	1.5
116.06177	0.9
117.07002	9.6
119.08556	22.2
121.06474	3.6
121.10124	11.5
123.04324	1.4
125.09630	0.9
126.66772	0.9
127.03889	1.6
128.04837	0.9
128.06210	2.0
129.06960	9.3
131.08551	16.4
133.06476	1.4
133.10107	15.7
135.11652	11.6
137.05942	2.2
137.09474	1.0
141.06947	5.3
142.07765	1.8
143.08549	17.1
145.06509	1.9
145.10107	17.7
147.08029	4.8
147.11674	18.7
149.13243	7.3
155.07234	0.9
155.08507	8.0
157.06439	1.2
157.10114	14.0
158.10776	1.1
159.07997	1.0
159.11670	20.8
161.09525	2.1
161.13251	15.8
163.03894	4.1
163.07509	4.5
165.07043	1.3
167.06958	0.9
167.08516	1.7
168.09279	1.9
169.10123	7.4
171.11659	8.3
173.09573	1.7
173.13220	7.2
175.07516	16.8
175.11198	1.0
175.14742	4.0
177.09081	1.9
179.08418	1.1
181.10089	9.2
183.11661	12.8
185.09517	1.2
185.13177	6.5
187.07446	1.3
187.11140	1.0
187.14795	3.7
189.09102	6.4
191.10609	1.0
193.10117	1.8
195.11639	7.8
197.09642	1.2
197.13269	6.5
199.11116	1.1
199.14828	5.2
201.09076	1.6
201.16263	1.1
203.10654	4.4
207.11673	1.5
209.09587	1.7
209.13208	5.8
211.11127	4.1
211.14783	5.5
213.09021	1.2
213.16338	1.6
215.10677	3.7
215.17896	6.0
217.12186	1.6
219.11789	1.7
221.13258	4.4
223.14864	1.3
225.12720	1.7
225.16451	1.1
227.10600	13.4
227.14304	1.0
229.12222	15.4
231.17380	1.8
233.13145	1.0
235.14684	3.2
237.16217	1.0
241.12234	5.9
243.13786	5.2
247.13089	1.0
249.16476	1.6
251.17787	3.5
253.19414	4.3
255.13791	6.7
271.20422	1.2
277.16211	0.8
277.19455	4.7
281.15295	1.6
291.20953	7.3
293.22437	1.2
295.16885	1.2
301.19492	1.2
309.22150	5.4
319.20523	8.4
337.21552	74.4
338.21542	1.2
355.22610	75.7
356.22906	1.3
373.23660	100.0
374.24200	1.9
433.25906	8.1
443.96588	1.1
707.37402	4.4
711.91437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23005	0.8
51.23270	1.0
53.00291	2.2
53.03936	1.7
55.01847	5.0
55.05265	1.3
55.05501	24.9
57.03426	20.1
59.04988	1.8
61.02900	4.7
65.03893	1.0
67.05489	25.3
69.03407	4.7
69.07053	7.7
71.01323	1.1
71.04966	4.7
73.02895	2.4
73.30756	1.0
74.30182	0.9
76.56490	1.0
79.05474	28.5
81.03397	51.3
81.07033	31.2
83.04958	15.6
83.08604	27.3
85.02887	25.0
85.06520	1.3
89.94380	1.0
91.03906	1.2
91.05456	38.3
93.06422	1.0
93.07018	30.4
95.04945	25.3
95.08582	14.4
97.02869	9.7
97.06506	6.9
97.10159	4.6
99.00796	17.8
99.01851	1.1
99.04463	1.2
103.05459	2.3
105.03382	2.2
105.07007	31.6
106.07310	1.0
107.04932	13.2
107.08575	15.2
109.02851	8.7
109.06516	7.3
109.10145	10.2
111.04416	2.3
111.08047	11.9
113.05965	4.8
115.03873	1.3
117.06992	4.3
119.04817	1.1
119.08551	29.4
121.06519	8.8
121.10103	8.6
123.04430	1.7
123.08005	2.4
123.11655	4.1
124.15578	0.9
125.09602	1.7
127.03857	4.7
127.07530	1.0
128.06189	1.7
129.06985	7.6
131.08533	10.3
133.06439	6.0
133.10100	41.2
135.07985	1.7
135.11638	2.2
137.05940	2.0
137.09579	4.3
139.07515	1.7
142.07718	1.3
143.08521	5.4
145.10081	6.0
147.08038	5.2
147.11642	11.7
149.09592	7.1
151.11191	8.8
155.08578	1.3
157.10117	12.3
161.09569	19.3
163.11176	4.1
165.12709	1.3
171.08025	4.1
173.09633	1.6
175.11130	11.3
179.10596	10.6
183.11617	1.2
189.09035	7.9
193.12192	30.8
211.13261	35.8
225.11160	7.5
227.12680	1.8
267.15787	13.3
281.13727	1.4
285.16913	30.6
299.14828	43.6
345.20465	14.7
473.25134	1.5
491.26190	16.9
509.27347	100.0
510.27859	2.0
655.54089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51870	1.1
59.48550	1.1
71.41798	1.4
91.20710	1.2
146.90025	1.3
229.13455	1.7
315.25592	1.6
339.49045	1.4
340.14520	1.7
443.88663	1.4
541.33374	29.9
642.15759	1.4
653.87341	1.4
703.38672	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	704.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01858	2.1
55.05505	36.2
55.15068	0.4
57.03424	5.5
57.07084	0.5
59.04991	35.4
61.02904	4.1
67.05499	1.0
69.03416	33.6
69.07044	0.9
71.04981	4.5
73.02877	1.0
75.29389	0.4
79.05479	1.9
81.03402	21.0
81.07038	3.0
83.04965	100.0
83.08588	0.5
85.02889	48.1
87.04449	3.5
91.05463	0.7
92.09173	2.8
92.64145	0.6
93.07036	2.6
95.04940	3.3
95.08563	0.6
97.02872	52.4
97.06500	2.7
99.04433	9.7
101.05995	35.9
103.03936	2.0
105.07028	2.2
105.36135	0.4
107.04952	0.6
107.08585	2.2
109.02863	26.9
109.06509	2.2
109.10139	2.3
111.04417	1.2
115.03927	3.0
117.05531	0.5
117.07030	1.0
119.07033	13.0
119.08568	2.2
121.06503	2.0
123.04430	0.7
123.08101	0.5
123.70658	0.4
125.05988	2.5
127.03889	37.9
130.42229	0.5
131.08510	0.6
133.04906	1.8
133.06456	0.6
133.10155	0.7
135.08076	1.1
137.05965	3.7
143.07066	0.7
145.04942	28.4
145.10149	0.6
146.05142	0.5
147.04376	0.5
149.05959	1.1
151.07533	0.8
158.48604	0.5
159.11748	0.6
160.83606	0.5
163.07512	2.2
165.05363	0.7
167.06995	2.8
167.08304	0.6
169.26479	0.5
173.08081	0.8
177.05508	2.0
179.07018	0.9
185.08102	0.6
187.05952	3.6
191.07034	0.9
197.08113	0.7
205.07097	1.0
209.08046	6.8
227.09111	20.9
227.11270	0.9
241.07095	0.6
245.10152	70.5
246.10376	0.7
263.11179	20.8
290.48010	0.6
371.13293	2.9
374.10205	0.6
389.14294	2.0
407.15442	8.4
425.16461	10.2
513.34668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4023
Annotation	Voacamidine
Peak:m/z	Relative Intensity
52.33814	0.4
52.64447	0.4
52.98962	0.4
59.20781	0.4
67.05479	1.9
69.07058	0.6
81.07043	1.0
83.59972	0.4
89.19776	0.5
91.02734	0.5
115.61017	0.4
118.71545	0.4
121.56471	0.5
143.16959	0.5
178.56836	0.5
184.07286	0.6
185.04306	0.5
193.43007	0.5
201.86331	0.4
252.96986	0.5
347.09506	1.7
543.34930	26.3
555.94763	0.5
705.40161	100.0
706.40588	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	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21727	3.2
55.01863	4.0
55.05505	94.5
57.03414	23.9
61.02921	4.1
67.05493	81.0
68.63309	3.4
69.03434	6.8
69.07040	24.4
79.05473	69.7
81.07041	70.1
83.08600	58.0
85.06541	5.8
85.53732	3.5
91.05453	21.2
93.07011	52.2
95.04955	4.5
95.08578	56.4
97.10152	100.0
105.06985	18.8
107.08565	67.2
109.10163	27.1
111.08067	6.9
117.06979	7.7
119.08521	15.9
121.10104	19.6
125.09605	95.3
133.10110	5.6
135.08029	9.2
135.11658	8.0
138.18501	4.2
143.10617	4.5
153.08980	3.7
173.43570	3.6
189.11174	70.8
227.12744	69.1
227.19978	6.3
245.13774	87.4
261.22107	31.9
281.57437	4.1
335.25745	88.5
505.35138	69.4
674.98779	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	702.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.6
55.05504	83.0
57.03426	23.4
61.02921	3.6
67.05494	77.2
67.48763	2.6
69.03381	2.8
69.07054	22.0
79.05480	48.4
81.06606	3.5
81.07041	71.5
83.04910	4.8
83.08604	47.4
91.05457	15.6
93.07013	49.8
95.04959	3.6
95.08580	47.4
97.10141	100.0
105.07006	14.4
107.08601	38.8
109.10144	20.1
117.06991	3.7
119.08585	6.8
121.10103	19.0
123.11665	4.8
125.09612	97.6
131.08553	10.9
133.10109	4.8
135.08037	4.7
135.11682	15.2
145.10123	4.2
149.13214	4.4
161.13264	5.1
163.14729	3.3
173.13333	3.6
189.11195	62.7
227.12756	64.1
245.13802	85.5
261.22089	19.3
335.25735	63.2
343.33728	3.0
450.29565	3.2
482.98511	3.3
487.33475	3.0
505.35196	43.9
524.50507	3.3
553.74341	3.2
731.00574	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03595	0.8
50.54182	0.7
51.31573	0.8
53.00289	1.3
57.06826	1.1
57.07058	10.0
58.06582	4.0
60.88105	0.9
65.03931	5.1
68.52869	0.8
70.06572	25.2
71.08617	4.7
72.08133	1.0
84.08117	1.2
85.10141	1.1
88.07607	23.6
88.91255	0.9
92.08818	4.8
92.09370	1.3
96.07036	1.0
102.09159	13.8
110.79906	1.0
121.02846	1.9
132.10164	1.7
139.03880	4.0
146.11748	4.0
149.02319	100.0
149.03381	8.1
175.03938	1.7
177.05307	1.3
193.04924	41.1
193.06538	1.7
195.46176	0.9
214.55872	1.0
225.05403	1.5
237.07503	7.1
256.26276	45.0
263.91302	1.1
297.03873	1.4
300.28873	8.8
313.07156	1.6
336.33322	1.2
341.06470	7.0
359.07739	4.3
385.09070	16.8
403.10303	13.4
429.11746	27.7
473.14587	11.5
652.80811	1.2
702.38287	88.9
703.38251	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	700.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.6
55.01889	0.4
55.05506	10.8
57.03432	7.3
57.07067	64.9
61.02915	26.4
67.05489	16.6
67.71895	0.4
69.03405	2.6
69.07053	13.0
71.04969	0.8
71.08614	48.0
73.02898	8.8
75.04465	2.9
79.05485	0.6
81.03407	1.5
81.07037	27.3
83.08607	14.8
85.02888	25.9
85.06514	0.9
85.10166	31.0
87.04481	0.5
89.05988	1.5
91.03931	20.9
93.07018	1.7
95.08582	37.8
97.02874	11.2
97.10149	15.0
97.10754	0.9
99.04441	0.9
99.08004	0.4
99.11710	3.7
103.07552	0.7
107.08554	0.6
109.02858	0.8
109.10139	16.9
110.60242	0.4
111.11695	5.4
113.13261	0.7
115.03889	0.7
121.10064	0.6
123.11674	7.4
125.13274	1.6
126.02946	0.4
127.03884	5.8
127.14807	0.6
137.13223	2.8
145.04935	7.3
151.14778	0.6
163.05978	9.8
165.16260	0.6
176.02278	0.4
189.60504	0.4
193.19444	0.7
249.25819	1.6
257.30673	0.5
267.26764	18.7
285.27881	6.1
303.28964	0.5
341.30429	100.0
342.30887	1.7
359.31479	43.9
455.93018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20975	0.3
55.06163	0.4
56.46225	0.4
67.05517	0.7
69.03411	0.5
70.69423	0.4
72.52373	0.4
85.06539	0.7
86.15746	0.4
95.04924	1.5
97.02862	0.5
107.08614	0.5
113.06007	2.3
114.06317	0.9
117.07005	0.5
128.02765	0.4
131.32393	0.4
139.93340	0.4
185.89658	0.4
210.60461	0.4
308.24814	0.4
324.51810	0.5
329.11957	0.9
347.13110	1.0
433.77695	0.5
460.11728	0.5
539.29626	1.6
701.34930	100.0
702.35242	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	702.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
53.89464	0.8
54.20313	1.0
55.01858	4.1
55.05499	8.6
57.03411	2.5
57.07058	2.3
61.02896	1.0
65.03922	1.2
67.05487	15.3
69.03413	16.2
69.07044	13.3
70.06564	1.0
71.04955	5.2
73.02908	2.0
79.05476	27.1
81.03407	9.1
81.07034	41.2
83.04964	6.9
83.08595	6.4
85.02884	19.3
85.06519	4.9
87.04433	4.5
91.05447	16.7
93.07019	28.2
95.04961	12.1
95.08588	30.2
96.08805	1.0
97.02875	12.1
97.06497	5.1
97.10129	4.2
99.08058	2.3
104.82367	0.9
105.07010	33.0
107.04905	3.8
107.08574	100.0
109.02846	6.3
109.06501	6.5
109.10140	26.9
111.04414	1.2
111.08051	4.0
111.11678	1.7
112.03923	1.7
113.05946	1.4
115.03905	2.6
117.06985	10.6
119.08546	26.1
121.02838	2.6
121.06466	4.5
121.10131	15.8
122.10436	1.1
123.04343	1.2
123.08017	4.8
123.11702	11.3
125.09630	1.2
127.03843	7.6
129.07007	7.4
131.04874	1.5
131.08542	40.4
133.06439	1.7
133.10109	20.2
135.04344	4.9
135.08023	4.5
135.11667	11.4
137.05942	4.4
137.09607	13.1
137.13206	3.5
140.03383	1.3
141.06999	1.7
142.07739	1.5
143.08557	16.4
145.02800	5.0
145.04903	1.7
145.06415	2.2
145.10106	60.4
147.04330	3.4
147.07994	4.2
147.11656	26.9
149.05896	3.9
149.09598	9.0
149.13248	9.1
151.03867	1.2
151.07454	1.8
151.11104	2.0
153.12653	1.3
155.08516	4.4
157.10094	13.3
159.07985	5.0
159.11665	20.5
161.09630	8.9
161.13187	5.6
163.03859	21.1
163.07448	1.4
163.11145	5.4
163.14818	2.5
165.09073	6.0
165.12711	5.1
167.07034	1.6
169.10074	6.8
171.11653	7.2
173.09589	39.1
173.13200	7.0
175.07478	1.8
175.11163	12.7
175.14827	1.3
177.05461	6.6
177.12695	6.8
179.03363	6.4
181.04930	12.0
181.10074	2.2
181.12144	1.6
185.09598	1.6
185.13193	2.4
187.11099	8.3
187.14836	1.3
189.09105	2.6
189.12785	1.9
191.10614	18.1
191.14233	6.7
197.13226	1.7
199.14851	1.5
201.12691	2.2
203.10468	1.2
203.17905	1.3
209.13377	1.2
211.14845	1.3
215.10628	4.3
223.14706	1.2
229.12155	1.4
243.13577	1.3
249.11116	4.3
249.16342	1.2
253.19432	19.6
261.14798	1.4
271.20493	14.7
271.23907	2.0
277.19507	2.0
277.25348	1.4
289.21432	4.6
289.25119	4.8
291.20889	2.0
295.20407	1.5
307.26221	9.5
309.22034	4.5
311.23535	1.4
319.20465	9.4
325.27148	8.6
337.21552	31.2
343.28354	4.5
355.22595	32.6
361.29346	5.1
373.23642	72.7
374.24075	1.8
391.24652	68.1
409.25787	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	700.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.9
53.03941	1.4
53.87142	0.9
54.19398	1.1
55.00030	1.0
55.01860	2.6
55.05315	0.8
55.05502	15.3
56.56210	1.2
57.03424	32.9
57.07064	5.7
59.04981	8.0
61.02905	5.0
67.05486	14.3
69.03413	100.0
69.07054	9.6
71.04968	6.5
73.02872	2.6
74.93401	1.5
75.04448	2.2
79.05477	10.0
81.03397	5.9
81.07035	26.8
83.04971	27.5
83.08607	12.5
85.02886	79.7
85.06519	5.6
87.04449	57.9
91.05444	8.2
93.07020	20.1
95.04938	36.7
95.08577	20.3
97.02869	78.9
97.06515	11.8
97.07047	1.2
97.10162	2.6
99.04414	8.0
99.62038	1.3
101.05986	1.2
103.03925	1.9
105.07001	23.3
107.04973	1.2
107.08576	38.4
109.02853	2.7
109.06494	26.9
109.10141	38.8
111.04401	1.8
111.08052	11.8
114.32104	1.3
114.35918	1.3
115.03898	54.4
115.07589	1.5
117.06973	3.0
119.04837	1.2
119.08555	11.0
121.06471	1.3
121.10101	32.5
123.08050	10.7
123.11662	12.1
125.09597	25.9
127.03904	12.7
131.08553	15.7
133.04947	46.0
133.10100	60.4
135.07993	14.7
135.11649	8.1
137.05908	1.9
137.09540	4.4
137.13257	1.6
139.11150	6.7
144.09323	1.6
145.02837	1.5
145.04959	12.4
145.10085	8.0
147.04384	1.5
147.11621	11.7
148.07520	1.9
149.09601	23.3
149.13237	20.0
151.11194	14.8
153.09070	19.1
158.10875	7.3
163.05956	2.5
163.11275	1.7
163.14775	6.5
165.12698	8.5
167.10663	2.2
167.14275	10.0
171.10153	2.3
173.13196	34.1
175.14819	4.4
187.54686	1.2
191.14272	39.6
209.15321	95.6
227.16356	31.9
259.08084	5.2
295.10181	6.7
325.11011	1.6
341.19733	2.0
353.19736	2.1
371.20715	2.4
389.21503	4.8
495.87634	1.4
505.13275	1.5
521.39258	1.8
552.69727	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.3
54.81700	1.4
55.01845	2.1
55.05500	11.5
57.03424	20.7
57.07054	2.8
59.04983	7.4
61.02905	2.8
64.33415	1.4
67.05484	16.5
69.03065	2.4
69.03415	49.8
69.07057	14.0
71.01324	2.1
71.04975	6.9
75.04452	1.2
79.05482	14.4
81.03384	5.5
81.06590	2.2
81.07034	34.0
83.04962	24.4
83.08598	8.2
85.02890	46.3
85.06527	5.5
87.04446	25.3
90.29096	1.2
91.05456	14.1
92.36894	1.2
93.07014	23.5
95.04945	77.0
95.08586	15.8
97.02867	39.3
97.06514	18.2
99.04411	13.9
103.03902	1.5
105.07006	28.8
107.04941	1.7
107.08574	46.8
109.02855	1.6
109.06502	41.9
109.10136	47.3
109.10850	2.2
111.08076	9.4
113.09640	1.9
115.03926	19.7
115.07554	8.2
117.06996	2.3
119.08554	29.2
121.10126	35.5
123.04366	1.3
123.08042	11.3
123.11688	14.8
125.09603	8.1
127.03889	4.8
129.27629	1.3
131.08551	28.1
133.04944	16.7
133.10104	84.8
135.08032	18.8
135.11668	18.6
137.09596	1.8
139.11137	6.1
141.09088	2.1
143.08548	5.1
145.04938	8.6
145.10075	13.0
147.11662	20.4
149.09657	2.9
149.13234	28.9
151.11176	11.2
153.09088	24.5
158.10858	12.9
163.06056	1.8
163.14809	7.8
165.12700	3.2
167.14301	9.4
171.10117	1.5
173.13219	69.6
175.14767	27.3
191.14273	49.1
209.15329	100.0
227.16365	44.1
241.07193	1.4
326.23953	1.5
353.19507	5.7
371.20486	5.2
575.76593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01859	0.6
55.05273	0.2
55.05507	4.8
57.03423	1.3
59.04719	0.2
59.04994	4.8
61.02898	0.3
63.97417	0.2
67.05486	1.0
69.03065	0.3
69.03414	6.4
69.07046	0.3
71.04966	1.5
73.02892	0.4
79.05475	1.8
81.03401	5.8
81.07033	1.2
83.04967	10.8
85.02886	6.8
85.06523	0.4
87.04433	0.4
91.05447	2.6
92.09171	1.2
93.07036	1.1
95.04929	1.6
95.08556	1.1
97.02869	7.3
99.04436	1.2
100.22915	0.3
101.05971	2.0
103.05428	0.6
105.07011	3.4
107.04953	2.1
107.08562	2.6
109.02863	2.9
109.10143	0.4
111.04417	1.3
113.05979	1.7
115.03904	1.1
115.05437	1.7
116.06239	0.3
117.03361	0.5
117.06994	2.2
119.08536	0.9
121.06469	1.0
121.10112	0.6
123.04423	0.4
125.02289	0.4
127.03883	4.0
128.06187	2.4
129.06984	7.5
130.07765	0.5
131.04903	1.2
131.08542	9.7
132.05661	0.3
133.06493	1.7
133.10080	1.2
135.08044	0.3
137.05988	1.1
140.04630	0.4
141.06934	2.9
142.07793	0.4
143.08551	2.6
144.05682	3.1
145.02826	2.0
145.03973	0.3
145.04904	1.9
145.06450	4.2
145.10097	2.2
146.07262	1.0
147.04391	1.2
147.08011	0.5
147.11659	0.5
149.06056	0.3
149.13263	0.3
153.06966	1.0
155.04810	0.4
155.06024	0.6
155.08473	0.4
156.05620	0.6
157.06465	4.1
157.10069	0.4
158.07234	1.0
159.08025	16.0
160.05193	0.4
161.05978	1.4
161.09572	5.2
161.13219	0.3
167.07002	7.4
169.06335	0.4
169.07570	1.5
170.07257	2.9
171.07983	2.9
172.05148	1.4
173.05968	2.9
173.09576	2.3
174.06737	1.5
175.07469	2.7
175.11119	0.3
177.05432	3.5
178.06174	0.3
181.04926	0.9
181.08640	0.5
185.06052	0.3
186.03133	0.5
186.06703	0.5
187.06111	0.6
187.07506	12.5
187.64891	0.3
189.05432	0.5
189.09073	6.5
190.06218	0.5
191.06979	1.4
191.10669	0.4
192.07721	1.5
193.08609	0.6
198.06694	1.2
199.07504	1.7
201.05447	6.6
201.09016	2.2
203.06979	2.4
204.07771	7.8
205.08577	1.6
206.09334	0.4
207.08170	0.3
207.10135	0.5
213.05414	2.1
216.07698	2.0
217.08612	1.2
218.09326	1.0
219.08116	0.5
219.10080	3.6
221.08112	0.4
221.11710	2.8
231.06444	2.0
231.10056	3.8
233.11649	5.4
234.08765	0.4
235.07404	0.9
236.08023	0.3
237.11087	0.4
245.10144	1.1
246.06686	0.6
247.07484	0.4
249.11162	100.0
251.12708	1.6
261.09589	1.4
263.06918	1.2
264.07718	0.9
267.10043	0.3
267.12302	3.5
271.20547	0.4
275.06891	0.5
277.04926	0.4
289.05017	0.4
291.06512	1.1
292.07233	1.0
303.06509	2.2
304.07538	0.3
305.04263	1.0
305.07813	0.3
307.09607	1.0
320.06616	1.3
335.09045	4.3
337.10556	0.6
353.21021	0.5
355.11716	3.2
355.22659	0.4
367.11731	6.4
371.22345	0.5
373.23636	1.6
385.12619	2.9
389.23264	1.8
391.24670	1.2
398.15585	0.3
417.15451	0.5
471.68460	0.3
493.20364	0.3
547.17517	0.4
551.98077	0.3
717.85095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	2.0
57.03428	24.4
59.04981	2.2
60.04504	2.7
61.02906	1.6
67.05492	2.5
69.03413	64.5
69.11557	1.3
71.04984	3.1
75.04466	1.6
75.94429	1.5
79.05480	3.5
81.03407	9.9
81.07045	7.6
85.02885	46.0
85.03362	2.4
85.06493	1.5
86.69538	1.4
86.72974	1.3
87.04450	36.4
89.14541	1.4
91.04891	1.9
91.05460	45.1
93.03388	1.8
93.07008	3.8
95.04940	7.2
95.08619	2.1
95.17838	1.6
97.02869	43.4
103.05449	2.6
105.07006	9.7
107.04955	13.0
107.08580	2.9
109.02885	1.8
115.03917	32.3
115.05448	11.5
117.07006	15.5
119.04917	3.1
119.08539	1.8
121.10153	2.3
122.03633	3.8
123.04420	3.1
124.05166	1.9
125.05950	1.9
127.03900	3.3
128.06224	2.3
129.07011	8.1
131.04929	6.9
131.08543	2.6
133.04929	27.2
133.10126	3.3
137.05949	80.6
137.09518	2.9
141.07043	2.3
143.04901	8.6
144.05630	3.7
145.02827	7.4
145.05258	2.8
145.06458	39.0
147.04384	3.2
147.08052	3.6
147.11731	2.2
149.05939	2.7
150.07613	6.3
151.03937	1.8
155.06039	3.0
156.05731	2.2
157.06459	7.3
157.10110	2.6
159.08049	9.9
159.11682	2.4
160.05165	16.3
161.05951	6.2
163.07487	1.8
165.05408	2.2
167.07010	34.8
173.05956	55.7
174.06783	3.1
175.07500	100.0
177.05458	12.2
180.08569	2.2
181.04961	6.2
181.10193	1.9
184.05324	1.9
187.07498	42.8
189.09047	9.7
190.06190	27.6
198.12749	14.9
203.06985	7.3
205.08566	70.1
211.07529	1.6
217.08559	32.2
219.10138	2.9
235.09593	39.1
239.06992	1.7
243.53059	1.6
244.78230	2.2
247.09546	3.3
249.11330	2.0
261.09039	3.7
263.07147	1.8
265.10629	39.5
269.08218	2.1
277.08862	2.0
285.07578	7.2
293.11786	2.6
300.09799	3.8
321.11545	5.6
341.13828	5.9
353.13586	6.7
353.21381	2.0
371.14774	31.1
371.22058	3.6
389.23260	6.8
551.28302	6.6
704.64105	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	700.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	2.0
57.03428	24.4
59.04981	2.2
60.04504	2.7
61.02906	1.6
67.05492	2.5
69.03413	64.5
69.11557	1.3
71.04984	3.1
75.04466	1.6
75.94429	1.5
79.05480	3.5
81.03407	9.9
81.07045	7.6
85.02885	46.0
85.03362	2.4
85.06493	1.5
86.69538	1.4
86.72974	1.3
87.04450	36.4
89.14541	1.4
91.04891	1.9
91.05460	45.1
93.03388	1.8
93.07008	3.8
95.04940	7.2
95.08619	2.1
95.17838	1.6
97.02869	43.4
103.05449	2.6
105.07006	9.7
107.04955	13.0
107.08580	2.9
109.02885	1.8
115.03917	32.3
115.05448	11.5
117.07006	15.5
119.04917	3.1
119.08539	1.8
121.10153	2.3
122.03633	3.8
123.04420	3.1
124.05166	1.9
125.05950	1.9
127.03900	3.3
128.06224	2.3
129.07011	8.1
131.04929	6.9
131.08543	2.6
133.04929	27.2
133.10126	3.3
137.05949	80.6
137.09518	2.9
141.07043	2.3
143.04901	8.6
144.05630	3.7
145.02827	7.4
145.05258	2.8
145.06458	39.0
147.04384	3.2
147.08052	3.6
147.11731	2.2
149.05939	2.7
150.07613	6.3
151.03937	1.8
155.06039	3.0
156.05731	2.2
157.06459	7.3
157.10110	2.6
159.08049	9.9
159.11682	2.4
160.05165	16.3
161.05951	6.2
163.07487	1.8
165.05408	2.2
167.07010	34.8
173.05956	55.7
174.06783	3.1
175.07500	100.0
177.05458	12.2
180.08569	2.2
181.04961	6.2
181.10193	1.9
184.05324	1.9
187.07498	42.8
189.09047	9.7
190.06190	27.6
198.12749	14.9
203.06985	7.3
205.08566	70.1
211.07529	1.6
217.08559	32.2
219.10138	2.9
235.09593	39.1
239.06992	1.7
243.53059	1.6
244.78230	2.2
247.09546	3.3
249.11330	2.0
261.09039	3.7
263.07147	1.8
265.10629	39.5
269.08218	2.1
277.08862	2.0
285.07578	7.2
293.11786	2.6
300.09799	3.8
321.11545	5.6
341.13828	5.9
353.13586	6.7
353.21381	2.0
371.14774	31.1
371.22058	3.6
389.23260	6.8
551.28302	6.6
704.64105	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	698.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36824	1.1
51.78805	1.1
53.03928	1.3
54.31969	1.2
54.77250	1.1
55.01862	2.7
55.05504	25.3
57.03413	8.6
57.07068	22.4
57.44538	1.3
59.04971	8.3
59.31141	1.4
59.69536	1.4
61.02902	9.6
65.03900	1.5
67.05487	51.7
69.03412	80.8
69.07050	67.7
71.04970	24.3
71.08608	8.0
73.02872	2.0
73.06534	1.7
74.37055	1.3
75.96409	1.4
79.05473	15.9
81.03393	10.1
81.07036	86.6
83.04932	3.4
83.08596	51.8
85.02885	63.9
85.06526	33.6
85.10174	2.5
87.04436	5.9
91.03928	1.9
91.05444	7.0
93.07014	21.5
95.04412	1.7
95.04954	42.5
95.08581	100.0
97.02850	16.6
97.06516	20.6
97.10149	33.5
99.04418	5.7
101.05995	2.3
105.07028	20.5
107.08569	25.5
109.02841	5.4
109.06472	5.9
109.10136	59.8
110.38448	1.7
111.08037	2.3
111.11681	23.9
113.05192	3.1
113.05982	96.3
115.07533	7.4
119.08559	19.3
121.06469	3.5
121.10123	26.1
123.08022	6.4
123.11673	39.4
125.13244	9.8
127.03912	12.5
127.07511	6.6
129.09010	2.3
131.08514	6.4
133.10089	19.7
135.08086	2.4
135.11664	24.2
137.05894	2.6
137.09584	7.7
137.13223	23.0
139.14790	1.8
141.09093	2.2
143.08615	1.7
145.04935	9.6
145.08568	26.9
145.10059	8.1
147.11652	22.8
149.09595	6.0
149.13203	12.3
151.11124	7.2
151.14809	10.4
155.10597	5.8
156.85663	1.4
159.11659	7.7
161.13206	9.2
163.06007	2.0
163.11197	2.9
163.14764	3.5
165.12708	11.1
165.16309	2.7
167.10683	2.2
169.12259	6.9
173.13232	6.8
175.14792	6.8
177.12717	7.9
179.14302	2.6
179.17865	2.2
181.12268	3.1
183.13760	7.7
187.14728	5.6
189.07565	2.7
189.16362	2.3
191.14224	2.8
193.12215	1.5
193.15839	2.3
195.13794	14.7
197.15318	3.0
199.14902	2.1
201.16446	1.6
205.15877	1.6
205.19519	1.9
207.21085	3.0
209.15295	5.6
211.16924	2.2
215.17865	2.7
227.17953	1.7
229.19496	1.9
237.18513	5.5
239.19977	7.4
251.19972	6.3
257.15387	1.7
261.25580	2.6
265.21591	11.7
277.94754	1.4
285.25699	6.7
293.22427	1.6
303.26773	12.8
321.24243	2.6
321.27792	56.2
337.07730	1.5
339.23068	15.7
339.28873	51.0
355.22809	1.8
357.24344	3.3
357.29871	29.9
375.25131	15.5
469.20746	2.3
543.89001	1.6
600.39465	1.7
698.34119	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.9
53.03942	1.4
54.81479	0.7
55.01875	1.1
55.05505	51.0
57.03427	14.4
57.07065	30.7
61.02592	1.0
61.02914	51.3
67.05491	50.4
69.03418	6.5
69.07053	83.7
71.04971	4.6
71.08612	16.1
73.02895	18.5
75.04451	3.1
79.05474	21.5
81.03400	1.5
81.07037	66.4
83.08603	58.3
83.71596	0.8
85.02891	52.8
85.06525	5.2
85.10163	10.2
87.04477	1.0
91.03934	41.2
91.05458	1.8
93.07021	31.3
95.08582	80.3
97.02864	22.5
97.06522	10.8
97.10144	41.9
99.04423	3.4
99.08050	3.5
103.03975	1.1
107.08584	25.9
109.02877	1.3
109.10146	36.1
111.08067	9.4
111.11694	13.8
113.09660	1.1
115.03893	1.6
121.10118	48.6
123.11678	11.5
125.09615	4.9
125.13219	3.1
127.03883	10.8
128.23384	1.0
129.09097	0.8
135.11661	37.9
137.13266	4.5
139.11166	3.7
145.04930	13.0
149.13232	17.1
151.14838	5.1
153.12704	1.1
161.59663	0.8
163.05980	17.9
163.14795	8.3
165.16373	5.2
167.14285	1.2
172.06348	0.9
177.16327	3.5
181.15884	1.0
191.17964	2.0
195.17282	0.9
205.19527	1.5
247.24139	37.1
265.25211	82.6
283.26242	16.2
284.26541	1.4
339.28870	100.0
340.29199	1.1
357.29901	82.6
360.89047	1.0
501.34232	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	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	25.8
57.03432	2.4
57.07063	15.6
67.05491	25.7
69.03413	9.1
69.06673	2.1
69.07053	60.7
71.04963	2.9
71.08607	3.3
79.05479	9.9
81.03400	2.5
81.07036	76.8
83.04953	2.6
83.08605	46.3
85.02882	27.8
85.06538	6.8
87.00803	2.4
87.04437	2.5
91.05446	3.1
93.07034	19.7
95.04942	3.7
95.08579	82.3
95.20770	1.6
97.02851	17.7
97.06499	19.4
97.10159	26.2
98.52055	1.5
101.05982	1.8
105.06993	13.4
107.08568	23.6
109.02886	1.9
109.06491	12.0
109.10144	52.9
111.08098	2.1
111.11701	19.0
113.05986	7.5
115.07555	3.2
119.08582	14.9
121.06452	1.7
121.10147	19.8
123.08051	9.0
123.11676	32.4
125.13239	8.1
127.03909	3.6
127.07507	3.0
129.09105	2.7
131.08542	3.1
131.39011	1.6
133.10085	14.9
135.11690	18.8
137.09586	9.2
137.13232	27.4
141.09071	2.5
142.38350	1.7
145.10062	6.3
147.11653	16.0
149.13260	8.6
151.11185	6.4
151.14806	9.9
155.10658	2.9
159.11664	8.0
161.13223	9.0
163.14799	2.4
165.12744	10.8
165.16373	2.1
169.12207	3.2
173.13232	1.8
175.14766	6.9
176.15068	1.5
177.12715	3.1
179.14308	9.6
179.17899	2.5
181.12224	2.3
183.13811	7.5
187.14983	1.8
195.13823	7.6
197.15390	6.1
207.17554	2.1
207.21083	4.0
208.75928	1.6
209.15303	1.9
215.18019	1.8
217.96823	1.9
221.18987	3.2
225.18472	2.9
229.19455	2.0
239.20027	2.2
251.19987	2.0
261.25821	2.8
265.21475	2.2
285.25812	3.2
303.26819	6.9
317.24728	6.3
318.25043	3.5
321.27829	32.2
329.27325	1.6
339.28894	100.0
346.24753	1.9
357.29898	22.3
462.89133	1.7
698.33545	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	698.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87995	2.3
53.03949	2.7
53.63926	2.2
55.05501	15.0
57.03423	4.9
57.07068	2.4
61.02922	3.2
67.05486	20.4
69.03410	19.2
69.07046	18.3
69.49802	2.0
70.06569	3.0
71.04972	5.6
73.02901	2.6
75.04431	4.4
79.05479	18.1
81.03403	4.1
81.07033	54.6
83.04955	17.7
83.08612	5.7
83.38116	2.4
85.02889	42.8
85.06541	3.5
87.04446	2.8
90.09169	4.6
91.03970	2.8
91.05455	22.3
92.09154	12.7
93.07017	38.5
95.04958	13.7
95.08589	49.7
97.02853	22.5
97.06496	4.2
99.04423	3.0
99.08102	3.6
103.05431	4.4
105.07005	69.1
107.00185	2.4
107.08567	55.3
109.02874	4.7
109.06495	4.2
109.10138	33.7
111.08084	4.6
111.61572	2.3
117.06949	3.5
119.08556	48.7
121.06513	3.8
121.10110	39.1
123.08032	9.7
123.11703	27.3
125.09595	12.3
127.03911	9.9
129.07016	4.4
131.04912	14.9
131.08542	48.4
132.05226	2.4
132.53683	2.4
133.06400	3.4
133.10098	42.2
135.08026	12.1
135.11682	18.2
136.57643	2.4
137.05962	10.4
137.09566	4.5
139.11186	2.8
143.08545	16.5
144.06551	2.5
145.02844	14.6
145.04936	5.4
145.10104	73.2
147.04440	5.8
147.08038	2.4
147.11662	47.3
149.05945	3.8
149.09604	4.3
149.13237	11.7
151.03877	3.1
151.11157	4.9
156.09311	2.6
157.10072	24.0
159.07941	3.5
159.11655	65.9
161.05940	3.4
161.09619	3.9
161.13216	33.2
162.07593	3.5
163.14789	5.0
167.07033	6.1
169.10110	5.5
171.11629	37.4
173.13229	100.0
175.07526	3.8
175.11067	3.0
175.14778	43.4
177.05447	15.9
177.16339	33.9
180.08687	3.7
183.11671	4.3
185.13213	39.0
187.14792	96.2
189.16331	19.8
191.14336	6.2
193.12244	5.6
197.09831	2.9
197.13153	8.8
199.14761	31.6
201.16249	17.3
203.14319	11.3
205.15839	96.9
207.06548	4.5
207.13680	4.2
213.16391	10.9
215.17873	4.2
217.12308	2.9
217.15968	6.0
219.13835	23.5
219.17458	6.0
221.15388	5.9
223.16873	4.5
225.16417	3.8
231.13785	14.6
233.15324	25.7
237.88466	2.8
245.15375	10.0
258.47827	2.8
277.14441	4.1
303.22641	3.3
321.24173	4.8
347.26740	2.7
351.19742	2.8
359.87695	3.2
363.30634	2.7
373.23642	9.8
373.28751	10.0
379.29956	3.7
391.30035	27.3
407.29477	5.1
409.30939	6.1
419.29279	14.8
437.30457	45.5
453.30124	5.9
455.31549	4.4
458.48166	2.5
465.29880	27.7
473.32498	4.0
483.31030	59.9
501.32391	3.9
547.11249	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	698.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94130	0.1
53.00296	0.3
53.03937	0.5
55.01861	0.9
55.05497	0.8
57.03423	3.9
57.07063	4.8
57.67444	0.1
58.72683	0.1
59.04986	7.4
61.02909	2.3
62.11708	0.1
65.03922	1.2
67.05487	23.3
69.03410	17.8
69.07043	1.5
70.52445	0.1
71.04970	17.1
73.02903	1.0
73.06534	0.9
74.88315	0.1
75.82874	0.1
79.05464	2.8
81.03391	2.2
81.07035	3.4
83.01299	0.1
83.04961	1.9
83.08591	0.8
85.02883	15.6
85.06522	22.0
87.04443	4.8
90.04005	0.1
91.03902	1.0
91.05450	1.6
91.23900	0.1
92.09318	0.3
93.07023	3.3
95.04940	30.3
95.08580	3.5
97.02861	5.3
97.03478	0.2
97.06502	5.9
99.04425	0.9
99.08084	0.5
101.02344	0.2
101.05994	1.4
105.06995	2.6
107.04917	0.1
107.08572	3.1
109.02856	1.6
109.06504	0.6
109.10134	2.1
111.04397	1.3
111.08073	0.1
113.05980	100.0
114.06327	0.5
115.03867	0.1
117.07001	0.7
119.04985	0.1
119.08549	2.2
121.06513	0.2
121.10111	2.9
123.04404	0.2
123.08053	0.2
123.11701	0.2
125.05957	0.5
127.03884	3.5
127.07546	0.6
129.05402	0.2
129.06972	0.5
131.08534	1.9
133.06329	0.1
133.10101	2.0
134.88574	0.1
135.11670	4.1
137.05997	0.5
141.06920	0.1
143.08549	1.4
145.04926	4.8
145.08568	24.9
145.10054	2.0
147.08076	0.1
147.11638	1.9
149.05963	0.2
149.09650	0.2
149.13284	0.8
151.07576	0.2
155.07068	0.1
155.08517	0.6
157.10107	1.1
159.08034	0.2
159.11649	2.2
161.09573	0.1
161.13194	1.9
163.05977	0.9
163.07495	0.5
163.08740	0.1
163.14885	0.2
169.10051	0.5
171.11662	0.8
173.09698	0.1
173.13222	0.8
175.07521	0.2
175.11124	0.2
175.14734	0.5
177.09070	0.6
183.11652	0.9
185.13193	1.4
187.11218	0.1
187.14778	1.4
189.07529	1.7
189.09071	0.4
189.16370	0.3
191.10684	0.1
195.11662	0.2
197.13232	0.8
199.14824	1.0
201.12741	0.2
201.16266	0.8
203.10583	0.3
205.12187	0.8
211.14825	0.7
213.12730	0.3
213.16374	0.6
215.10561	0.2
215.17943	0.7
217.12210	0.2
219.13832	0.2
223.14787	0.6
227.17775	0.1
229.12215	0.7
231.13817	1.2
237.16290	0.3
239.08997	0.1
239.14124	0.2
239.17871	0.2
243.13727	0.7
245.15323	0.2
251.17795	0.1
253.19447	0.2
255.20984	0.2
257.10086	0.8
257.15305	1.4
271.16776	0.5
275.11118	0.3
277.19202	0.2
279.20959	1.1
283.16644	0.5
293.22595	2.2
295.24210	0.2
303.20920	0.2
311.23453	0.6
311.71164	0.1
321.22089	2.2
321.27515	0.4
339.23096	17.4
340.23260	0.2
357.24136	13.1
375.25198	17.8
469.20630	0.3
470.20520	0.7
501.32101	0.2
621.17804	0.1
697.34167	1.0
698.34125	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	698.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91286	1.3
53.03939	2.4
55.01863	2.2
55.05504	19.4
57.03422	21.9
57.07064	4.2
57.11423	1.6
59.04991	12.3
61.02935	2.4
67.05491	20.0
69.03072	2.7
69.03419	51.4
69.07060	16.0
71.04974	12.3
73.35184	1.8
75.04451	2.0
76.56487	1.6
79.05463	14.4
81.03413	12.4
81.07038	37.8
83.04967	42.9
83.08601	13.8
84.14024	1.5
85.02895	62.7
85.06527	18.9
87.04447	86.5
89.03883	6.9
91.05469	15.5
92.69640	1.7
93.07023	28.4
95.04947	71.2
95.08583	23.8
97.02868	34.7
97.06512	22.1
97.10162	2.2
99.04436	20.8
105.07013	31.7
107.04932	3.6
107.08567	45.9
109.02855	10.0
109.06497	35.5
109.10140	59.7
111.04420	9.9
111.08055	9.8
113.05957	2.4
113.09561	2.2
115.03915	20.8
115.07518	14.8
117.02643	2.0
117.03350	15.7
117.06908	2.4
118.72266	1.7
119.04879	4.0
119.08540	23.0
121.06483	2.4
121.10122	42.2
123.04405	3.6
123.08028	21.6
123.11633	14.7
125.05978	3.0
125.09587	7.1
127.03905	11.9
129.05434	7.2
131.04932	2.1
131.08546	22.0
133.04953	16.0
133.10103	90.4
135.04338	4.2
135.08058	15.0
135.11671	16.7
137.05943	9.6
137.09576	7.9
138.05409	2.1
139.11127	18.5
143.06947	2.3
143.08533	3.1
145.02829	61.6
145.04861	2.3
145.10150	12.4
147.04358	17.9
147.08058	2.5
147.11662	25.0
149.05969	6.3
149.09589	7.4
149.13225	27.1
151.11124	17.9
153.09088	21.2
158.10883	8.8
159.11649	2.0
161.13264	1.8
163.03838	26.9
163.11169	2.5
163.14806	8.4
165.09084	1.8
165.12737	2.1
167.07011	6.7
167.14270	15.5
168.84825	1.8
171.10188	2.4
171.11598	2.9
173.13223	54.4
175.07552	1.9
175.14784	13.7
177.05434	92.6
181.04935	8.0
181.08572	1.7
189.12744	3.6
191.14270	53.1
193.15767	2.4
207.13846	13.3
209.15320	100.0
210.84299	1.9
225.14781	16.7
227.16391	45.4
241.49686	1.7
243.08670	2.7
245.10657	1.7
259.08035	1.8
293.12219	2.7
295.10123	2.1
297.07642	3.5
321.09885	2.7
339.10657	2.3
339.21805	1.7
357.24243	2.3
369.22940	2.4
371.20502	3.7
390.02646	2.8
394.35260	2.0
616.77893	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
53.73395	1.7
54.39220	1.9
55.05504	29.4
57.03433	20.8
57.07047	3.7
61.24616	1.7
63.53303	1.9
63.77431	1.9
64.22735	1.9
65.03922	2.1
67.05493	72.0
69.07053	26.0
71.04987	3.3
79.05479	67.2
81.07037	100.0
83.04953	2.3
83.08617	11.2
86.89597	2.2
91.05466	48.0
92.09393	4.8
92.64034	2.5
93.07026	62.8
95.04950	9.4
95.08582	56.3
97.06474	3.7
97.10167	3.4
105.07008	47.0
107.08584	40.8
109.10147	17.2
117.07017	13.4
118.19588	2.1
119.08568	49.1
121.10151	21.4
123.11737	4.2
129.07010	4.3
131.08542	22.8
133.10077	20.0
135.11684	16.3
141.06937	2.4
143.08553	12.3
145.10123	20.9
147.11673	27.3
149.13254	11.1
157.10133	9.7
159.11685	12.6
161.13269	5.1
163.14801	2.8
165.12767	9.5
171.11644	4.6
173.13277	7.7
175.14871	4.8
185.13223	8.3
187.14783	3.9
239.16376	13.0
259.20465	3.4
267.21289	2.6
283.24323	2.2
335.25586	16.8
394.79578	2.7
425.34000	11.7
443.34943	2.9
499.37961	18.8
517.38879	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21896	0.2
53.03925	0.6
54.81861	0.3
55.01860	1.2
57.03419	0.5
58.20420	0.2
58.58462	0.2
64.13898	0.3
65.03910	0.4
67.05458	0.3
69.03409	2.6
77.03917	0.3
79.05473	3.0
79.39593	0.3
81.03421	0.5
81.07034	3.0
85.02881	2.9
87.04433	0.7
91.05464	6.6
91.79568	0.3
95.04950	2.4
97.02892	2.3
99.04415	0.4
103.05447	1.4
105.03342	0.5
105.06998	0.5
106.04115	0.4
107.04924	6.4
107.99845	0.3
109.06500	9.5
115.03910	0.6
115.05437	0.5
117.03342	0.4
119.04887	1.7
119.08566	0.5
121.06471	1.7
123.03560	0.4
123.04376	3.1
123.08070	2.6
127.03882	0.4
127.97310	0.3
131.04890	1.3
133.02834	2.5
133.04950	1.2
133.06468	1.5
135.04395	2.0
137.05952	17.0
140.04666	0.5
141.06949	0.3
145.02846	0.4
145.04909	0.4
147.04402	1.4
147.07957	0.5
149.05942	3.1
149.09645	0.3
151.07486	1.6
152.06171	0.7
153.05469	1.4
153.06947	2.8
154.06213	0.3
155.08635	1.0
157.06473	1.2
161.05963	4.5
163.03854	5.4
165.05434	8.1
165.06964	5.4
166.07747	0.6
167.06998	12.0
167.08397	0.9
167.25471	0.3
168.05635	2.1
169.06404	0.7
170.07092	0.3
175.07491	1.2
176.08287	9.6
177.05412	2.0
177.06783	0.3
177.08978	0.3
179.07018	1.1
179.08400	0.4
180.05652	0.3
180.07776	0.5
181.04944	0.9
181.06442	4.4
181.08517	0.6
182.05731	0.5
182.07233	2.5
183.06529	0.8
183.08034	5.2
185.05936	1.2
188.07674	0.3
191.07008	0.4
192.07875	0.7
193.04910	0.4
193.06413	0.7
195.04544	0.3
195.06561	2.2
195.08000	2.5
196.05153	2.0
197.05989	2.0
197.08072	6.5
197.09579	0.5
198.06671	1.7
199.07513	1.6
207.04500	0.5
207.06331	0.4
207.10115	9.2
207.13689	0.5
208.05188	0.3
209.05968	1.8
209.07904	0.3
210.06660	3.2
211.05774	0.5
211.07529	6.6
212.08269	2.0
213.05444	2.6
213.09087	1.6
214.06200	0.7
215.06938	0.4
221.05952	0.7
222.06682	0.6
223.07509	1.8
224.04713	0.4
225.05429	1.3
225.09062	3.6
225.14784	1.8
226.06201	1.5
227.07014	2.5
228.07738	3.0
229.08594	0.5
230.05751	0.6
237.05484	0.7
238.06172	2.9
239.07127	2.2
240.07797	1.4
241.04939	2.3
241.08647	1.6
243.06427	0.7
243.10059	2.4
245.08035	1.2
249.05243	0.5
251.06808	0.7
253.04865	0.6
253.08670	2.1
255.06482	1.9
255.10107	1.3
256.07230	3.0
257.07996	3.2
267.06381	0.6
267.09961	0.5
269.08020	1.3
271.06100	0.4
271.06625	0.4
271.09586	4.0
272.10342	1.4
273.07486	1.9
283.09525	0.6
284.06885	0.4
284.10226	0.4
285.07458	1.4
288.09814	1.9
299.08990	2.0
300.09842	2.1
302.11404	0.6
303.12234	0.7
315.12228	1.7
316.09351	1.6
316.12689	0.3
319.11426	0.7
325.10736	0.5
330.11038	0.6
331.11676	100.0
332.12103	1.4
335.17029	0.3
343.11688	19.4
361.12766	2.3
407.92426	0.3
512.38873	0.3
652.42004	0.3
700.65912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01870	1.8
55.05503	6.2
57.03428	6.6
59.04990	7.6
61.02900	5.1
67.05496	9.2
69.03415	16.2
69.07047	4.5
70.06582	1.6
71.04970	5.4
73.02887	1.1
79.05468	10.2
81.03411	7.6
81.07035	20.3
83.04948	5.7
83.08589	5.1
85.02891	55.4
85.06523	9.4
87.04451	57.0
91.05455	11.4
92.09061	3.6
93.07024	18.0
95.04922	3.9
95.08579	17.0
97.02863	12.3
97.06487	3.7
97.10119	1.4
99.04418	4.9
105.07008	20.4
107.04907	3.2
107.08577	17.5
109.02853	3.9
109.06488	1.3
109.10145	11.5
111.04430	6.2
117.03355	1.7
117.06961	5.9
119.04936	1.2
119.08551	13.4
121.06492	1.5
121.10112	10.6
123.04404	0.8
123.11680	1.1
125.05966	4.4
127.03886	7.3
128.06187	1.2
128.19135	0.9
129.05504	1.7
129.06967	6.1
131.08546	13.4
133.06494	1.4
133.10085	11.7
135.07990	4.5
135.11658	9.4
137.05936	3.5
139.07501	1.0
143.07028	1.4
143.08540	10.7
145.02820	6.2
145.04916	3.8
145.10104	15.5
147.04367	4.0
147.08009	3.3
147.11667	10.7
149.05925	1.6
149.09550	1.0
149.13222	11.3
153.05437	3.3
155.07065	1.7
155.08539	5.3
157.10107	8.1
159.07982	4.1
159.11656	11.9
161.13248	11.3
162.75589	1.0
163.03793	0.9
163.07516	4.1
163.14803	4.2
165.09119	1.3
167.07016	14.6
169.10069	3.7
171.07901	1.2
171.11604	6.6
173.09595	1.6
173.13239	5.3
175.07520	1.5
175.11177	1.6
175.14738	6.1
177.05432	7.3
177.09058	7.5
181.04877	4.3
181.08632	1.1
181.10100	1.7
183.11604	6.2
185.13300	6.2
187.07457	0.9
187.14764	5.2
189.09094	3.1
191.10698	1.0
193.08450	1.1
193.10228	1.3
195.11636	3.2
197.13217	6.2
199.14848	4.7
201.16315	8.1
203.10762	1.4
207.10085	3.2
209.13286	1.7
211.11052	1.0
211.14832	5.1
213.12811	1.7
213.16312	7.7
215.10648	1.5
215.17987	2.0
217.12239	4.7
223.14818	1.8
225.12950	1.1
225.16328	1.4
227.14120	1.1
227.17833	1.0
229.12318	6.0
231.13698	4.1
233.07895	1.1
235.09480	0.8
237.16312	1.7
239.14136	1.4
239.17850	0.9
242.80328	0.9
243.13789	5.0
245.15341	1.1
251.17992	1.4
255.20930	3.7
257.15286	7.3
279.20966	4.7
283.17023	1.1
293.22546	10.5
311.23679	3.7
321.21954	7.5
339.23145	66.8
357.24170	100.0
375.20911	1.3
375.25241	22.9
417.15240	4.2
435.16232	1.1
517.31427	2.1
519.29224	1.2
537.30096	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	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68476	0.4
54.81541	0.4
55.01860	0.6
55.05497	2.6
57.03426	2.9
57.07063	0.7
61.02910	4.6
64.62544	0.5
65.03890	0.5
65.62028	0.5
67.05492	4.4
68.78638	0.5
69.03422	6.7
69.07050	1.1
71.01352	0.6
71.04975	2.3
73.02896	3.3
79.05464	2.8
79.29152	0.5
81.03402	5.8
81.07024	5.6
83.04963	0.9
83.08612	2.3
85.02891	10.8
85.06521	2.2
87.04462	2.2
91.03944	2.7
91.05460	4.7
93.07010	3.3
95.04943	4.9
95.08589	3.5
97.02863	6.3
97.06524	0.6
101.02366	2.4
105.07013	5.1
107.04962	1.3
107.08616	4.1
109.02849	0.7
109.10164	0.6
111.08073	0.9
113.05988	7.2
115.03837	0.5
119.08576	4.1
120.08932	0.9
121.10102	2.2
123.11711	0.6
125.67461	0.6
127.03909	1.1
129.07018	0.6
131.08571	1.2
133.10117	3.3
137.09644	0.6
145.04953	0.6
145.08568	1.0
147.11682	2.3
148.12247	0.5
149.09673	0.6
157.10275	0.7
175.11179	2.3
193.12253	4.3
211.13239	1.2
243.08356	2.4
251.12527	1.9
285.17050	0.9
297.11557	0.6
307.15414	0.6
356.23215	0.6
464.29166	0.8
469.20313	16.1
590.84265	0.6
697.33911	100.0
698.34186	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	696.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01863	1.6
55.05498	21.8
57.03424	9.4
57.07060	12.3
58.11164	0.8
59.94884	0.7
61.02911	37.8
64.32813	0.9
65.03913	1.0
67.05486	84.5
67.23501	0.8
69.03403	5.3
69.07047	30.0
71.04971	1.8
71.08598	6.1
73.02894	13.2
74.62311	0.9
79.05468	22.6
81.03384	1.5
81.07033	100.0
83.04970	1.1
83.08601	19.0
85.02885	39.6
85.06519	2.2
85.10182	2.2
87.04432	1.0
91.03936	28.2
91.04514	1.7
91.05447	17.8
93.07016	31.6
95.04929	1.2
95.08579	89.4
97.02853	16.9
97.06502	6.3
97.10166	13.4
99.04424	1.3
99.08071	3.5
100.11887	1.0
105.07004	10.5
107.08567	18.9
107.67543	1.0
109.10137	41.6
111.08065	3.9
111.11672	2.0
113.09581	1.6
115.03925	1.6
119.08533	12.4
121.10107	23.0
123.11674	20.2
125.09596	1.5
125.55534	1.0
127.03898	5.9
130.76736	0.9
133.10100	14.5
135.11664	12.6
137.13235	8.5
141.12723	1.8
145.04942	8.4
147.11684	14.0
149.13208	11.1
151.11116	1.0
151.14822	3.3
155.14282	1.2
161.13234	18.3
163.05963	15.8
163.14778	10.3
165.16348	5.3
175.14754	9.2
177.16243	1.5
179.14288	1.1
179.17915	5.2
189.16341	3.9
203.17690	1.3
217.12712	0.9
217.19356	1.1
245.22580	49.3
263.23615	73.6
264.23871	1.1
265.25076	1.2
281.24881	1.2
295.03601	1.1
300.27246	1.0
337.27271	39.1
355.28284	10.5
499.32620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22417	0.5
55.05510	0.7
57.03425	4.3
57.07064	5.6
59.04989	12.0
59.86814	0.5
65.03914	2.5
67.05491	39.6
69.03414	28.5
70.56288	0.5
71.04607	1.1
71.04977	23.7
76.29652	0.6
79.05467	9.7
81.07037	5.3
83.04961	5.2
83.08612	0.7
85.02862	2.2
85.06528	26.7
87.04447	6.0
91.05459	4.9
93.07008	5.9
95.04946	54.6
95.08576	5.0
96.05310	0.8
96.28239	0.6
97.06503	3.7
101.05970	0.8
105.07008	13.4
107.08573	50.0
109.06499	1.1
109.10144	0.9
113.05986	100.0
113.10371	0.7
114.06320	4.6
117.07004	5.3
119.08554	7.7
121.06436	1.4
121.10141	4.3
129.06996	0.8
130.08675	0.9
131.08543	19.4
133.10106	4.9
135.11705	2.6
142.07690	0.7
143.08545	5.8
145.08580	18.4
145.10101	30.2
147.08028	1.4
147.11659	12.9
149.09618	5.5
149.13264	1.4
155.08531	1.4
157.10126	5.6
159.07996	1.5
159.11652	10.4
161.09581	5.2
161.13226	3.7
162.11244	2.6
163.11145	2.5
165.12772	1.5
169.10080	0.9
171.11668	4.0
173.09581	23.6
173.13203	3.0
175.11139	7.4
177.09039	0.8
177.12761	3.0
183.11565	0.6
185.09584	0.9
185.13197	1.3
187.11201	4.6
187.14862	0.7
189.09122	0.7
189.12570	2.2
191.10611	14.4
191.14252	3.0
195.11703	1.0
197.13231	1.4
198.00514	0.6
201.12901	0.7
203.10683	1.3
205.12193	0.7
207.13554	0.9
207.59689	0.6
209.13351	0.7
209.15358	1.2
215.10605	2.5
229.12300	0.9
235.14699	0.7
253.19412	16.1
271.20486	12.5
277.16367	0.7
277.19522	0.8
289.21454	2.7
291.20880	3.1
295.20203	0.8
301.19400	2.4
309.22098	4.0
319.20490	7.8
337.21548	26.4
355.22577	27.9
372.22455	1.0
373.23639	60.4
389.85544	0.7
391.24695	96.8
392.24933	2.5
398.49548	0.8
409.25778	19.8
500.50574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13943	0.2
53.00308	0.3
53.03926	0.2
55.01863	1.4
55.05509	1.0
56.38365	0.2
57.03428	4.1
57.07064	2.5
59.04995	3.5
61.02912	2.9
64.33171	0.2
65.03923	0.9
67.05489	17.0
69.03413	100.0
69.07045	1.5
70.03764	0.2
71.04974	12.4
73.02901	1.6
73.06543	1.9
77.06045	0.6
79.05470	2.6
81.03391	4.1
81.07039	3.6
83.04951	1.9
83.08591	1.3
85.02888	28.2
85.06527	15.3
87.04454	2.6
91.03912	1.7
91.05476	1.8
93.07033	1.6
94.02902	0.2
95.04945	34.1
95.08588	2.6
97.02869	7.5
97.06508	8.3
99.04413	1.5
99.08111	0.3
101.05984	2.0
105.07023	1.8
107.08601	1.9
109.02859	2.9
109.06506	0.5
109.10143	0.9
111.04420	1.1
113.05985	62.7
115.03912	0.3
119.08565	1.6
121.10125	1.7
127.03890	6.5
127.07524	0.4
131.08531	1.4
133.06436	0.9
133.10085	0.9
135.04379	0.3
135.08064	0.3
135.11693	1.1
137.05919	0.3
145.04932	8.3
145.08572	23.8
147.07948	0.3
147.11705	0.3
149.13203	0.3
157.10060	0.3
159.11647	0.8
161.09688	0.3
161.13223	1.6
163.05984	2.8
171.11615	0.3
175.07449	1.3
175.14783	0.4
177.16371	0.5
179.07045	2.3
185.13139	0.3
189.07492	2.4
189.08989	0.3
195.11813	0.3
227.10579	0.3
255.13617	0.4
257.10208	0.5
337.21503	2.9
338.48328	0.2
355.22601	4.2
373.23648	18.2
459.83182	0.3
481.29855	0.3
541.46552	0.3
729.98718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66655	0.4
53.03914	0.5
54.81722	0.4
55.01858	0.6
55.05490	0.4
56.94053	0.4
57.03425	4.8
57.07069	3.9
59.04986	6.5
61.02901	1.8
65.03925	1.5
67.05488	26.1
69.03413	18.0
69.07043	0.8
69.92192	0.4
71.04603	0.7
71.04972	15.9
73.02894	0.6
73.06535	0.6
79.05474	3.3
79.53180	0.4
81.03386	2.1
81.07030	4.1
83.04956	2.4
83.08609	0.7
85.02882	19.7
85.06525	23.6
87.04461	4.9
91.03925	0.9
91.05450	1.9
92.64277	0.4
93.07011	2.8
93.67062	0.4
95.04942	34.0
95.08575	2.6
97.02863	6.6
97.06509	7.8
99.04434	0.6
101.05965	1.4
105.07020	3.6
107.04923	0.4
107.08593	3.9
109.02869	1.4
109.06473	0.6
109.10134	0.6
111.04437	0.6
113.05983	100.0
114.06322	0.4
117.07010	1.4
119.08554	3.0
121.06494	0.7
121.10101	3.5
123.04405	0.4
125.05969	4.1
127.03889	3.7
131.08542	2.3
133.10115	1.9
135.11674	1.8
137.05988	0.5
143.08540	0.9
145.04941	4.5
145.08571	18.9
145.10062	1.7
147.11688	2.3
149.13254	0.5
153.05446	4.3
155.07021	2.2
155.08475	0.5
157.10088	0.7
159.11656	3.7
161.13229	2.5
163.05963	0.8
169.10020	0.5
171.11674	0.6
175.07561	0.8
175.14839	3.0
177.16339	0.6
179.07018	2.4
181.10143	0.7
183.11662	0.9
185.13162	0.8
189.07487	0.5
195.11670	0.8
199.14786	0.8
201.16405	2.2
213.16185	0.4
217.12285	0.5
234.49300	0.5
235.14749	0.4
247.13150	0.6
250.45052	0.4
255.13919	0.5
257.10242	0.5
269.97217	0.4
277.19391	0.6
281.15039	0.5
291.20883	0.7
309.22003	0.6
319.20773	0.5
337.21548	7.6
355.22601	11.6
373.23648	48.1
374.23938	0.9
431.55417	0.5
517.31592	4.5
655.54468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
57.03425	1.9
57.07060	5.9
58.90566	1.0
58.91985	1.0
59.04983	7.4
59.44676	1.0
61.27127	1.1
67.05491	21.3
69.03413	24.1
70.03725	1.1
71.04981	18.3
76.56786	1.3
79.05457	2.5
81.03384	1.8
81.07047	1.8
83.04957	1.9
85.02897	17.6
85.06525	22.2
87.04451	5.6
93.07028	1.4
93.54700	1.4
95.04940	32.7
95.08576	2.2
97.02857	6.9
97.06502	7.4
101.05955	1.3
105.06968	1.5
107.08602	1.9
109.02866	1.5
111.04406	2.4
113.05981	100.0
114.06341	1.6
118.40228	1.3
121.10069	1.6
127.03918	4.6
133.10135	1.4
145.04895	4.9
145.08574	20.2
148.52411	1.3
174.58788	1.0
175.14746	1.4
221.08162	1.1
240.64180	1.4
255.12498	1.2
264.90829	1.3
294.23688	1.3
355.22507	1.5
373.23648	29.0
380.85916	1.6
501.75583	1.4
520.69293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82661	0.3
53.03941	6.0
55.01864	0.9
55.05504	33.6
56.23576	0.3
57.03192	0.4
57.03428	5.3
59.04987	36.3
61.02912	4.3
64.33778	0.5
67.05487	0.7
69.03413	34.0
69.07040	0.4
70.06586	0.5
71.04982	3.6
73.02904	1.8
79.05449	1.9
81.03395	21.5
81.07016	2.0
83.01337	0.4
83.04961	100.0
83.08588	1.0
84.08932	0.4
85.02885	49.5
87.04440	3.5
89.03928	0.5
90.13141	0.4
90.14563	0.4
91.05453	1.0
92.08997	1.6
93.07015	2.0
95.04931	2.5
95.08572	0.8
97.02866	53.6
97.06509	1.7
99.04426	10.9
100.11231	4.4
101.05992	34.4
103.03957	0.6
105.06987	2.1
107.04947	1.7
107.08590	0.8
107.88586	0.4
109.02861	23.7
109.06490	1.0
111.04417	2.7
113.05975	0.7
114.37440	0.4
115.03923	3.7
117.03329	1.5
117.06997	0.8
119.04943	0.7
119.07030	12.9
119.08482	0.6
121.06454	1.0
123.04382	1.6
125.02345	0.5
125.05986	2.0
127.03888	38.5
131.08513	0.5
133.04926	1.9
133.06441	0.7
133.10106	1.0
135.08032	0.5
137.05951	3.1
141.05447	0.7
143.06982	0.5
145.02940	3.5
145.04933	25.4
145.10036	0.6
147.04408	1.7
147.07954	0.6
149.05939	2.2
161.05960	1.0
163.07530	0.5
167.06985	4.1
168.07321	0.6
169.04962	0.6
173.08205	0.8
175.07600	0.5
177.05414	3.2
178.05859	0.8
178.74677	0.4
179.07039	0.7
181.04854	1.7
182.15428	0.6
185.08046	0.5
187.05978	4.2
191.07034	1.8
197.08101	0.7
205.04977	0.5
209.08093	7.1
210.14856	1.7
226.14514	0.7
227.09093	19.8
227.11256	0.8
237.02759	0.5
241.06931	0.6
245.10136	74.9
263.11176	20.8
333.54941	0.5
341.11957	0.6
359.13266	0.5
371.13397	0.9
377.14371	0.5
389.14505	2.3
407.15378	8.3
425.16360	8.6
678.49646	0.5
695.50391	1.6
696.50244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.81734	0.3
55.01859	1.1
55.32168	0.2
57.03414	0.5
61.02898	0.2
65.03930	0.4
67.05482	0.3
67.92786	0.2
69.03410	2.6
79.05468	3.1
81.03384	0.6
81.07030	0.6
83.04955	0.3
85.02889	4.3
86.09679	0.5
90.76152	0.3
91.05456	5.4
94.04165	1.2
95.04930	1.7
95.08505	0.3
97.02856	2.0
103.05439	4.2
105.07001	1.7
107.04934	6.1
108.81931	0.3
108.91434	0.3
109.02838	0.3
109.06501	0.5
111.04437	0.6
117.03345	0.4
117.06994	0.5
119.04911	6.1
121.02845	0.4
121.06485	4.7
122.03624	5.6
123.04376	0.3
125.05959	0.6
127.03881	1.2
127.71351	0.3
131.04906	8.3
133.02802	1.5
133.06479	1.3
133.10056	0.3
134.03616	0.7
135.04390	4.6
135.07964	0.4
136.07558	0.6
137.05948	100.0
138.06230	0.5
141.06941	0.7
145.02782	0.4
145.04887	0.4
145.06436	0.5
146.03598	0.7
147.04384	8.2
147.08070	0.4
149.05960	7.3
150.06729	1.1
151.03893	0.4
151.07567	1.4
152.06180	0.4
153.05667	0.4
153.06944	4.4
154.07735	0.4
155.08542	2.6
161.05913	3.0
163.07494	10.0
164.04579	0.3
165.05537	1.0
165.06941	12.5
167.07001	5.0
167.08351	0.6
168.05704	0.6
169.06430	0.6
175.03954	0.3
175.07510	1.5
177.05489	2.5
177.06812	0.4
179.07002	1.8
179.08427	0.7
181.06427	4.0
182.07195	1.9
183.08002	7.9
185.06010	0.5
187.07477	0.5
191.07033	0.6
193.06343	4.9
194.07199	1.9
195.07928	0.6
196.05141	1.1
197.06068	0.4
198.06834	0.4
199.07570	0.6
200.08324	0.6
205.06482	0.6
207.04401	1.4
207.06415	1.1
207.10965	0.3
209.06004	0.3
209.09601	0.4
210.06699	1.8
211.07532	9.0
212.08293	0.5
213.05420	0.3
213.09081	0.7
221.05945	5.1
222.06673	0.6
223.05977	1.6
224.08344	0.4
225.09061	4.0
227.06950	0.7
228.07733	1.1
234.06760	0.4
235.07420	0.5
237.09047	2.3
238.06218	0.5
239.06863	2.1
240.07574	0.3
241.08502	1.6
242.09351	1.7
243.10132	1.2
244.93877	0.3
249.09076	1.3
250.06262	0.5
253.08466	3.5
254.09294	0.4
255.06554	0.4
257.11691	0.6
259.09613	0.4
265.08444	3.7
266.09348	0.3
267.10117	0.7
269.11584	0.4
270.08859	0.6
271.09570	39.2
273.11197	1.1
277.08551	0.7
282.08975	0.7
283.09579	1.4
285.11124	9.6
297.11142	6.4
299.12708	0.4
309.11139	1.8
311.13120	0.3
315.12207	5.5
327.12131	1.9
341.12314	0.4
369.11826	0.5
401.13870	0.6
421.16351	1.6
433.16382	1.6
451.17334	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01860	1.6
65.03911	0.5
69.03397	1.9
71.04958	0.5
71.38158	0.4
72.08143	0.7
79.05489	2.9
81.03395	0.6
81.07007	0.5
85.02872	2.2
86.09686	1.8
91.05463	6.3
92.08823	1.9
93.07022	0.5
94.04152	2.2
94.45227	0.4
95.04922	1.7
96.52971	0.4
97.02867	1.0
98.97540	0.4
103.05451	1.6
104.29849	0.4
105.06998	0.8
107.04935	5.5
111.04422	1.6
119.04913	9.0
121.06466	6.7
122.03605	5.3
123.04362	0.5
123.41483	0.4
125.05994	0.6
127.03901	0.5
131.04878	2.1
133.02794	2.9
133.06425	1.5
135.04398	2.9
136.07545	2.2
137.05948	100.0
141.06999	0.5
145.06451	0.7
147.03288	0.6
147.04375	7.4
149.05946	10.0
150.06778	0.7
151.07503	2.3
153.05820	0.6
153.06952	4.8
154.07666	0.7
155.08517	4.0
161.05991	3.5
162.06693	0.9
163.03824	0.5
163.07515	2.4
165.05481	1.9
165.06938	16.7
166.07710	0.6
167.07002	2.9
167.08363	0.6
168.05716	0.7
169.06410	0.4
174.65343	0.5
175.07515	0.9
177.05376	0.6
179.07008	2.5
179.08440	0.6
181.06436	5.8
182.07251	2.3
183.08009	12.7
187.07433	0.6
191.06978	1.0
193.06326	6.1
194.07224	2.2
195.08078	2.2
196.05194	1.5
197.09520	0.7
198.06682	0.7
199.07382	0.9
200.08348	0.7
205.06406	0.6
207.04378	1.9
209.05925	0.8
209.09642	0.5
210.06715	2.9
211.07507	13.1
212.08244	2.6
213.09065	2.0
221.05954	6.9
222.06776	1.6
225.09091	4.3
227.06873	0.5
228.07779	1.6
237.09099	2.5
239.07025	3.8
241.08571	2.1
242.09383	2.7
243.10075	1.7
253.08530	2.2
256.11066	0.5
259.09628	0.5
265.08493	4.7
267.10175	0.7
269.11548	0.6
270.08777	0.5
271.09573	73.9
272.10190	0.5
273.11166	3.7
277.08655	0.6
283.09564	2.9
285.11102	8.6
297.11179	8.1
309.11154	0.6
315.12158	3.7
327.12021	0.9
333.31598	0.5
401.85751	0.5
421.16269	2.3
433.16364	2.3
451.17380	2.8
463.17776	0.5
526.11475	0.4
568.12787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.5
53.03933	0.5
55.01871	0.9
57.03433	3.6
57.07071	3.8
59.04999	4.5
61.02911	3.3
64.97974	0.4
65.03924	0.5
67.05492	15.6
69.03416	100.0
69.07050	0.5
71.04976	12.8
73.02913	0.6
73.06540	1.2
74.06587	0.5
77.06009	0.6
79.05499	1.7
81.03419	2.1
81.07053	0.9
83.04976	1.1
85.02889	25.3
85.06527	15.9
87.04462	3.3
91.03944	1.1
91.05484	0.7
93.07030	1.0
94.02123	0.5
95.04948	32.8
96.12405	0.5
97.02875	8.0
97.06512	7.3
99.04456	2.3
101.05995	2.3
104.76444	0.6
105.07018	1.1
107.08561	0.6
109.02854	1.1
109.06514	0.6
113.05990	58.6
113.97484	0.4
127.03868	4.7
129.06952	0.7
131.08522	0.9
145.04961	8.3
145.08571	23.9
163.06046	2.7
175.07571	2.1
189.07632	2.1
257.30176	0.5
262.63892	0.6
335.20166	0.9
353.21185	0.8
355.11884	0.5
371.22089	6.7
513.32361	0.6
665.88647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31910	0.1
53.00306	0.3
53.03932	0.2
55.01860	1.2
55.05497	0.5
57.03424	3.9
57.07063	4.8
59.04986	9.0
61.02910	2.1
65.03931	1.1
67.05486	21.6
68.22343	0.1
69.03411	16.6
69.07050	0.7
71.04972	17.1
73.02905	1.0
73.06538	0.6
75.24852	0.1
79.05466	1.7
80.42464	0.1
81.03396	1.8
81.07026	1.0
83.01312	0.2
83.04966	1.7
83.08620	0.2
83.14637	0.1
85.02884	16.7
85.06522	23.8
87.04445	5.4
91.03936	0.8
91.05453	1.9
93.07025	1.0
95.04941	32.6
95.08595	0.9
96.05309	0.1
97.02863	4.5
97.06509	6.0
99.04421	1.0
99.08062	0.2
101.05981	1.1
103.03907	0.1
105.07008	1.8
107.08574	1.8
108.49442	0.1
109.02863	1.1
109.06518	0.5
109.10162	0.2
111.04418	0.5
113.05980	100.0
114.06309	0.5
116.06221	0.2
117.07019	0.5
119.08571	1.5
121.06522	0.2
121.10136	0.4
127.03883	3.8
127.07532	0.4
128.06187	0.2
129.06998	0.8
131.08537	1.9
132.86937	0.1
133.06450	0.2
133.10112	0.7
137.05904	0.1
141.06947	0.1
143.08528	0.5
145.04930	4.3
145.08569	19.9
147.07953	0.2
147.11674	0.6
155.08522	0.3
157.10124	0.5
159.08061	0.1
159.11685	0.6
161.13255	0.2
163.06087	0.8
163.07437	0.2
169.10028	0.3
171.08116	0.2
171.11671	0.2
173.13202	0.3
175.07513	4.9
175.14783	1.2
177.09015	0.2
179.06969	0.2
180.08559	0.2
181.10115	0.2
183.11757	0.2
189.07553	0.9
189.09064	0.4
190.02754	0.1
197.13235	0.2
201.09109	0.2
209.13069	0.1
227.10553	0.1
231.13463	0.1
241.12074	0.5
255.33105	0.1
257.10132	0.2
275.11292	0.1
335.20157	0.3
353.21054	1.4
355.22223	0.2
358.73068	0.1
371.22070	28.8
372.22440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85110	0.9
55.05489	1.3
57.03440	1.2
61.02913	7.7
67.05498	7.7
69.03413	4.2
69.07062	2.3
71.01181	1.0
73.02909	5.7
81.07050	5.1
83.08598	1.8
85.02895	2.3
93.06991	3.6
95.08593	4.6
95.24892	0.9
97.02871	6.3
105.18683	1.1
105.19362	1.4
109.10172	6.5
115.03976	1.7
119.58660	1.1
173.11685	1.5
243.08607	1.4
251.97966	1.1
275.64026	1.2
283.89478	1.1
336.33682	1.3
413.17725	2.3
460.40503	1.2
462.82349	1.1
521.30658	9.0
618.68469	1.0
693.41718	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	694.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.4
53.03931	0.5
55.01852	1.6
55.05497	0.4
55.82763	0.3
57.03429	4.8
57.07069	5.8
59.04990	9.1
60.32469	0.3
61.02906	2.4
65.03931	1.4
67.05491	25.0
67.05846	0.8
69.03413	18.3
69.07037	0.8
71.04974	17.1
71.83389	0.3
71.87759	0.4
73.02879	0.6
73.06535	0.8
79.05463	2.2
81.03387	2.1
81.07047	1.6
83.04971	2.6
85.02885	17.8
85.06527	23.1
87.04448	5.6
91.03924	0.5
91.05461	2.0
93.07014	2.2
93.13127	0.4
95.04946	32.9
95.08605	0.8
97.02863	4.8
97.06484	5.1
99.04435	0.7
99.08076	0.7
101.05989	1.9
105.07007	1.7
107.08583	2.0
108.51718	0.4
109.02870	2.0
111.32334	0.4
113.05985	100.0
113.18393	0.3
119.08547	1.7
121.10082	0.9
127.03885	3.1
127.07487	0.6
131.08594	1.5
133.10059	0.9
145.04951	4.8
145.08577	20.6
145.10072	1.4
147.11717	1.9
159.11668	0.7
161.13292	0.5
163.06007	0.6
169.10107	0.5
173.09660	0.5
173.13141	0.6
189.07541	0.7
237.02840	0.4
241.68460	0.4
301.06277	0.4
353.21118	0.8
355.33350	0.4
371.22086	35.3
372.22617	0.6
395.92038	0.4
450.35233	0.4
566.53784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2779
Annotation	Maytanbutacine
Peak:m/z	Relative Intensity
54.82138	1.1
56.96555	18.1
64.33968	1.4
67.91662	1.1
69.03422	1.9
69.07071	1.3
71.95256	1.3
72.08152	1.7
81.03406	1.8
81.07054	5.6
84.96008	2.3
85.02928	5.3
91.05456	2.5
93.06958	1.9
95.08611	2.4
97.96792	2.9
98.97563	100.0
101.02065	1.3
105.07024	2.7
107.08572	2.4
109.10171	2.2
110.97580	5.7
116.98595	90.0
119.08598	2.0
128.98627	13.7
131.08545	1.9
134.99631	56.8
135.00610	2.5
135.04417	1.7
137.05954	2.0
143.08659	1.3
145.02815	1.9
145.10164	1.9
146.99603	11.9
147.04369	1.9
147.11766	1.3
153.00728	7.5
153.05392	1.5
158.99608	18.5
161.68457	1.3
165.00752	2.8
171.08118	1.3
177.00677	49.7
177.05511	2.3
189.00772	1.6
189.09119	1.8
195.01791	2.5
207.06670	1.6
208.30760	1.5
215.02292	1.8
219.01694	10.2
237.02721	27.7
241.03905	8.0
257.35324	1.5
259.04971	1.7
261.02881	2.5
279.03830	5.5
347.15466	2.6
349.18341	2.3
365.16360	2.7
367.19147	2.1
381.16971	2.3
383.18289	1.5
385.20770	2.0
399.18271	1.4
411.18567	3.0
427.17596	2.2
429.19547	2.6
445.19006	1.8
447.20340	2.8
453.19568	5.9
463.20114	1.6
471.20511	16.5
487.19681	2.7
489.21576	7.6
513.21393	5.2
531.22858	2.0
561.23840	2.8
573.23132	1.7
633.25421	14.5
651.26526	27.2
669.27985	2.7
675.32324	1.3
693.27820	78.3
693.39832	2.6
710.94983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
54.36310	0.4
54.81891	0.4
55.05230	0.5
55.05502	22.7
57.03427	23.7
57.07045	0.6
59.04990	0.9
61.02911	5.7
65.03920	0.8
67.05488	31.7
69.03412	7.2
69.07050	9.9
71.01316	0.4
71.04974	7.2
73.02895	2.2
79.05473	37.8
79.60569	0.5
81.03397	100.0
81.07032	43.4
83.04962	28.6
83.08189	0.7
83.08600	34.9
85.02885	45.1
85.06516	3.9
87.04442	0.5
87.94169	0.4
89.79600	0.4
91.03926	2.6
91.05457	48.9
93.07018	26.0
95.04942	40.2
95.08578	16.2
97.02865	8.7
97.06502	5.6
97.10149	6.3
99.04460	0.7
99.08092	0.8
105.07008	35.4
107.04932	13.8
107.08568	11.1
109.06501	7.5
109.10114	3.7
111.04446	3.2
111.08062	15.3
113.05971	4.0
115.05433	2.6
116.06197	0.4
117.06998	2.4
119.04919	0.9
119.08556	32.0
121.06490	2.9
121.10122	12.3
123.08047	3.7
123.11678	2.6
125.09629	1.7
127.03886	0.5
127.07534	0.5
128.06223	0.7
129.06976	17.5
131.08534	19.2
133.06429	4.5
133.10103	17.9
135.11685	1.9
137.09598	2.7
142.07735	5.0
144.17397	0.5
145.10075	3.3
147.08046	6.6
147.11659	23.7
149.09604	10.1
151.11153	0.8
157.10098	23.9
157.11351	0.9
163.11177	2.4
165.12755	5.1
175.11140	23.1
176.22202	0.5
186.91302	0.5
193.12202	59.4
211.13251	66.8
211.57607	0.5
267.12988	1.1
267.15845	28.9
285.16895	64.8
367.22681	2.7
377.82629	0.5
385.23663	3.1
403.24875	1.0
427.63339	0.5
433.25851	1.8
441.26657	0.7
459.27335	23.4
477.28326	23.2
495.29407	67.3
522.77856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
54.81716	0.5
55.01852	2.2
55.05497	2.1
57.03432	5.2
60.05127	0.4
61.02910	10.1
62.58889	0.4
67.05499	4.1
67.05797	0.4
69.03413	18.6
69.07052	2.1
71.04968	2.7
71.61311	0.4
72.17351	0.4
73.00759	0.4
73.02908	3.7
79.05491	3.9
81.03394	7.9
81.07035	9.3
83.04966	2.0
83.08593	2.8
85.02888	100.0
85.06549	0.8
87.04463	4.4
89.02367	0.6
91.03952	3.6
91.05470	5.4
92.09187	1.2
93.07028	8.3
95.04899	0.6
95.08588	12.6
97.02869	24.2
97.06523	0.6
99.04421	4.8
101.02400	0.7
101.05990	0.9
103.03940	0.5
105.07002	9.2
106.85104	0.5
107.04977	0.5
107.08576	9.2
109.02853	10.3
109.10152	4.4
111.04401	1.0
113.06074	0.4
115.03833	0.5
117.07017	2.2
119.08559	6.1
121.10114	5.3
123.08070	1.0
123.11632	0.6
127.03883	22.3
129.06985	1.0
131.08528	6.4
133.10088	8.2
135.08041	1.9
135.11674	6.8
137.06017	1.1
143.08565	4.0
145.04935	25.6
145.10097	9.5
147.08020	0.7
147.11682	7.5
149.13246	3.9
151.11192	2.2
155.08566	1.2
157.10109	5.7
159.11684	9.5
161.13222	7.1
163.05988	12.0
163.11185	3.0
163.14803	0.8
167.06958	0.6
169.10150	3.1
171.11618	5.0
173.13295	3.3
175.11131	0.6
175.14851	2.2
177.05530	0.7
177.12653	0.7
183.11592	3.5
185.13249	5.3
187.11218	1.2
187.14828	2.9
193.04974	2.2
195.11673	1.2
197.13208	4.8
199.10947	0.5
199.14850	2.7
201.12766	0.9
203.14282	2.4
209.13242	2.4
211.14803	2.8
213.16368	0.7
215.14304	2.1
215.17969	1.0
223.14764	4.5
225.16425	2.4
227.17964	1.1
229.19672	0.7
233.15294	0.8
237.16444	2.1
239.17929	1.1
241.19502	0.9
251.17998	2.4
253.19482	1.2
255.20993	3.0
257.18991	2.9
267.21133	2.7
269.18997	0.8
269.22589	1.8
279.21021	22.1
289.14630	0.5
294.05313	0.5
297.22079	26.7
297.25424	1.0
315.23123	40.9
325.11115	4.3
333.24155	40.5
383.21353	0.5
392.18723	0.6
396.01752	0.6
445.39893	0.5
456.16895	0.6
469.31396	0.6
495.29321	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.3
53.03939	0.6
55.05493	1.3
57.03418	2.7
61.02912	5.3
61.60328	0.3
67.05492	9.9
69.03411	3.2
69.07039	0.5
71.04960	0.4
73.02897	4.7
79.05470	2.3
80.71717	0.3
81.03406	2.6
81.07034	3.5
83.08599	0.8
85.02878	5.5
87.04440	0.4
91.03934	3.5
91.05474	2.1
93.07019	2.7
95.08569	2.5
97.02868	4.5
99.04458	0.6
100.04408	0.3
101.02359	1.7
107.08593	1.5
109.02869	0.7
109.10131	8.1
119.08573	0.8
121.10158	0.5
127.03881	1.5
155.10677	0.6
173.11661	3.1
185.04303	0.5
195.09923	0.8
229.14360	0.8
243.08397	2.4
291.44949	0.4
413.17740	11.7
519.29120	4.3
691.40137	100.0
692.40363	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	692.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84110	1.3
53.00291	1.9
55.01858	8.1
55.05501	23.1
57.03427	23.3
57.07055	6.6
59.04976	9.7
61.02890	3.4
65.03915	1.8
67.05141	2.8
67.05486	70.1
69.03407	26.0
69.07047	15.9
71.04974	26.8
73.02872	1.6
79.05469	45.4
81.03394	89.2
81.07036	54.7
83.04962	37.1
83.08174	2.1
83.08602	35.6
85.02885	38.6
85.06520	26.6
87.04432	7.1
91.05461	60.6
93.07013	42.2
95.04943	99.3
95.08576	26.4
97.02853	7.4
97.06515	10.0
97.10121	8.1
98.97572	1.8
99.08028	2.1
105.07011	48.1
107.04910	12.9
107.08566	20.4
109.06509	16.2
109.10110	8.0
111.04413	7.0
111.08054	14.1
113.05984	100.0
115.05441	2.2
117.06971	7.2
119.08551	32.8
121.06460	3.3
121.10121	17.2
123.08028	6.3
123.11667	6.0
125.09595	6.3
129.06969	19.3
131.08549	22.4
133.06467	6.9
133.10097	28.9
135.08026	8.0
135.11668	4.9
137.09560	6.3
142.07747	6.9
143.08574	1.8
145.08571	20.2
145.10083	8.6
147.07997	8.2
147.11653	33.7
149.09642	12.5
151.11124	8.6
157.10132	26.8
159.11633	3.4
161.09563	1.5
161.13124	1.7
162.11250	2.5
165.12724	7.1
173.13278	2.1
175.11136	26.9
178.59709	1.4
185.13313	2.2
191.90317	1.5
193.12227	58.4
197.13290	2.3
211.13234	49.5
219.01682	1.4
267.15866	30.9
275.20093	2.1
285.16861	64.9
303.33466	1.6
333.18381	1.7
349.23511	7.8
350.24020	6.0
351.19592	1.9
385.23593	2.9
387.21591	65.1
459.27182	14.5
477.28394	52.3
495.29404	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
53.38087	0.4
55.01869	0.6
55.05502	0.9
57.03428	1.1
61.02918	6.8
67.05493	8.4
69.03408	3.9
69.07059	0.9
71.01334	0.5
73.02893	4.8
79.05486	2.6
81.03409	0.9
81.07043	4.6
85.02893	6.6
87.04461	0.4
91.03940	3.7
91.05463	2.1
93.07022	4.0
95.08596	3.4
97.02876	6.3
99.04451	1.0
101.02360	3.0
103.32383	0.5
107.08607	0.9
109.10146	6.0
109.25871	0.5
115.52531	0.5
119.08529	0.5
121.10162	0.9
127.03905	0.8
131.08582	0.8
135.11761	0.6
149.13286	0.5
173.11667	0.9
183.31824	0.5
185.04367	0.6
195.09895	0.5
206.28368	0.5
209.77162	0.5
229.14333	0.6
229.33319	0.4
243.08403	2.7
335.25937	0.8
380.09387	0.5
410.97589	0.5
413.17688	5.1
519.29242	7.9
691.40131	100.0
692.40399	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05510	5.4
56.96556	27.4
57.03424	2.1
67.05492	7.5
69.03413	1.7
69.07062	2.0
70.93254	1.0
71.95255	1.3
79.05481	6.7
81.03384	10.3
81.07055	5.4
83.04973	1.9
83.08598	1.7
85.02889	7.2
85.06517	1.5
85.25829	1.5
85.50169	1.5
91.05457	2.9
93.07036	6.7
95.04963	8.4
97.06543	2.1
98.97556	72.2
105.07008	6.4
107.08584	3.0
109.10126	1.6
113.05968	3.1
116.98598	89.1
119.00136	1.7
119.08559	6.1
121.10152	2.2
126.82727	1.1
129.06998	1.8
131.00060	1.3
131.08574	2.5
133.10110	2.3
134.99638	64.2
143.00143	11.1
145.10075	2.2
149.20955	1.2
153.00670	14.1
157.01712	1.4
157.10106	6.4
158.01294	2.0
159.11731	1.7
161.01164	19.2
169.01746	5.0
171.11765	1.6
174.45425	1.2
175.02794	5.0
185.01231	5.6
187.02768	6.1
189.04355	1.5
193.12195	1.7
201.04350	1.7
203.02249	10.3
211.13344	1.6
218.59981	1.2
229.03885	5.6
241.03809	2.9
243.05367	5.6
247.04933	2.0
255.58350	1.6
261.06528	8.5
267.08975	2.0
283.15286	2.1
303.12665	2.9
321.13684	2.9
345.17538	2.0
355.15039	1.4
363.14868	2.4
381.15598	8.7
382.16632	2.8
389.16580	2.7
391.17673	1.6
399.17920	2.1
409.16895	6.0
427.18066	2.2
445.19031	7.2
463.19974	3.1
469.18842	9.7
487.19952	17.6
493.27835	5.0
494.27948	2.8
505.20755	13.5
523.21997	1.5
547.22150	2.4
565.23303	13.7
631.27777	1.5
691.29822	100.0
692.29810	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35632	0.9
54.81706	1.0
55.05500	1.7
56.96282	1.6
56.96559	42.0
59.04999	1.1
60.97692	0.9
63.78092	0.9
66.34099	0.9
67.05490	1.5
69.03472	0.9
69.07037	1.7
69.97353	0.8
71.04997	1.1
74.97598	1.1
79.05472	2.1
81.07041	6.5
83.04935	1.0
84.96019	14.1
85.02891	4.2
85.06525	2.0
87.04449	9.1
91.05475	2.3
91.34454	1.0
93.07014	4.4
95.08588	5.4
98.96926	1.7
98.97569	47.3
102.97048	1.3
105.07034	4.1
107.08572	2.1
109.10170	2.1
110.97562	5.4
112.99141	2.1
116.98602	54.6
119.08614	1.6
121.10095	1.6
126.80843	0.9
127.00634	2.2
128.98604	7.2
131.00177	5.9
131.08636	1.7
133.10138	2.1
134.99643	42.4
135.11664	1.2
137.02823	0.9
143.00262	7.0
145.01740	5.6
145.10146	1.8
146.99652	10.1
147.11723	1.6
148.00449	1.1
149.01176	2.2
149.09692	0.9
151.07480	1.1
153.00664	7.5
155.00163	4.8
157.01764	4.7
157.10187	2.0
158.99628	2.3
159.03242	1.2
159.11688	1.6
161.01212	13.6
167.00177	6.5
169.04991	1.1
173.01213	19.8
175.02750	8.4
177.00743	1.6
177.05566	1.2
179.02303	4.9
185.01205	65.2
187.02763	4.2
191.02271	6.4
199.02811	2.2
203.02257	64.2
217.03874	6.0
221.03297	9.2
235.04955	5.5
240.03183	1.4
241.03862	8.3
253.06087	1.1
259.04889	4.1
277.05869	5.6
365.16565	4.8
383.17615	4.6
385.20465	1.2
401.20172	1.0
403.21811	1.4
411.18335	1.8
429.19592	5.9
447.20526	1.7
471.20432	7.3
489.21686	7.6
507.22986	1.3
649.28540	1.3
691.29846	100.0
691.39172	4.2
692.30762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60060	0.4
53.03916	0.6
53.65794	0.4
54.81721	0.4
55.01858	0.7
55.05499	4.4
57.03431	3.9
57.07050	0.5
59.04984	6.1
61.02906	1.1
67.05488	5.3
68.48668	0.4
69.03408	4.9
69.07043	2.4
71.04971	3.4
71.08634	0.4
73.02895	0.5
75.04464	0.5
77.06035	1.6
79.05470	3.8
81.03391	2.0
81.07034	8.2
83.04957	6.4
83.08607	2.9
85.02363	0.7
85.02886	41.7
85.06526	15.6
87.04447	100.0
87.17891	0.4
89.05986	0.5
91.05453	5.1
93.07022	8.2
95.04918	0.8
95.08578	8.2
97.02864	3.7
97.06514	2.5
99.04455	4.8
101.05993	2.4
103.05456	0.6
105.07010	9.9
107.08569	9.8
109.02863	0.5
109.06493	1.1
109.10135	7.1
111.04415	5.2
111.08028	0.5
115.07532	3.5
117.03327	0.4
117.05440	0.8
117.07005	4.3
119.04954	0.5
119.08549	9.2
121.06475	0.5
121.10117	7.7
123.08063	0.8
123.11700	0.9
127.03907	1.7
128.06111	0.7
129.05435	5.5
129.07002	2.2
131.08528	10.6
133.10103	22.3
135.08051	2.5
135.11655	8.2
137.05890	1.5
137.09593	0.8
141.06995	0.7
141.73653	0.6
143.07001	5.9
143.08549	5.7
145.02838	1.6
145.04950	1.6
145.10098	19.9
147.04457	1.7
147.11662	8.3
149.09734	0.7
149.13251	3.8
151.11151	17.0
155.08531	2.9
157.10080	6.4
159.11661	13.6
161.08139	0.7
161.13232	5.9
163.03889	1.6
163.06046	0.6
163.11153	18.3
165.12732	0.6
167.07095	0.7
167.08501	0.8
168.09160	0.5
169.10161	3.3
171.11642	5.6
173.13173	4.2
174.13536	0.5
175.11121	0.5
175.14819	1.9
177.05435	0.8
177.12733	0.6
181.10089	0.9
181.86032	0.5
183.11644	3.8
185.13254	5.8
187.11168	1.8
187.14830	3.0
189.12735	1.6
195.11679	2.3
195.13504	0.5
197.13174	4.7
199.14807	3.7
201.12714	1.1
201.16380	0.7
203.14279	0.8
207.06537	0.6
209.13222	2.4
211.14845	2.5
213.16386	2.0
215.14375	0.9
215.17953	2.0
223.14812	3.9
225.16341	1.8
227.17928	1.6
229.19475	0.6
237.16341	2.4
239.17924	3.3
241.15820	0.9
241.19472	2.6
251.17963	2.3
253.19470	2.4
255.17270	0.5
255.21049	5.5
257.18936	0.6
267.20932	3.0
269.19046	1.0
269.22595	3.8
273.22067	1.7
279.21008	15.5
281.22491	0.6
285.22235	0.9
295.20563	1.7
297.22049	21.0
299.23605	0.6
313.21643	2.5
315.23108	34.2
331.22415	3.5
333.24161	57.0
475.30328	0.7
690.33826	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	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.96013	0.4
55.01865	1.0
55.05499	1.9
57.03424	6.0
61.02914	7.3
67.05485	5.5
69.03415	20.3
69.07048	1.8
71.01347	0.5
71.04974	4.5
73.02890	3.1
79.05470	7.0
81.03401	7.6
81.07039	14.2
83.04977	0.9
83.08615	3.0
85.02889	100.0
85.06531	1.7
87.04442	2.3
91.03957	3.5
91.05457	6.3
91.12437	0.5
92.09071	2.9
93.07015	10.7
95.04946	0.7
95.08588	9.0
97.02874	25.5
97.06512	0.8
99.04422	4.6
103.03895	0.7
105.07021	11.6
107.08572	17.5
109.02856	9.5
109.06500	0.7
109.10144	7.0
110.83233	0.4
111.08078	0.7
115.03901	1.0
117.06989	2.6
119.04884	0.8
119.08568	8.8
121.06484	0.9
121.10110	10.4
123.04436	0.7
123.08041	1.8
123.11695	2.0
127.03896	19.6
129.06987	1.6
131.08539	5.2
133.06477	4.1
133.10109	10.3
135.08067	0.9
135.11658	10.1
137.05945	1.9
139.07513	1.7
141.06914	0.6
143.08559	3.1
145.02913	0.5
145.04939	22.7
145.10098	8.3
147.04376	0.7
147.08067	0.9
147.11671	11.0
149.05919	0.5
149.09586	1.9
149.13231	5.2
151.07533	6.6
151.11176	1.9
153.09094	0.5
153.12692	0.5
155.08572	0.9
157.10126	5.7
159.11646	11.8
161.09605	0.8
161.13228	14.2
163.03864	2.1
163.06006	9.1
163.07550	2.1
163.14816	1.1
165.09122	2.2
167.07022	0.9
169.10094	1.7
171.11707	3.6
173.09604	0.6
173.13210	5.7
175.11159	0.6
175.14799	6.6
177.05435	2.0
177.09100	2.4
177.12735	0.6
179.10654	1.6
181.04898	1.7
181.10031	0.7
183.11661	1.9
185.09587	0.9
185.13234	4.8
187.11177	0.9
187.14833	1.8
189.09131	1.7
189.12729	0.7
191.10628	0.9
193.12236	2.6
195.10156	5.3
195.11743	1.6
197.13306	2.4
199.11227	0.5
199.14864	2.5
201.12766	1.7
201.16302	0.9
203.10637	3.2
203.14284	0.5
205.12186	2.0
207.06419	0.7
209.13278	0.8
211.14807	2.2
213.12778	0.9
217.12152	1.9
219.13785	2.0
221.13272	0.6
225.16376	1.0
231.13689	3.3
235.13104	0.8
237.16557	0.6
239.14458	0.6
243.04079	0.5
249.14731	0.8
251.17909	2.1
253.19395	5.0
255.21127	2.8
257.22519	0.7
263.16437	0.6
267.18286	0.9
267.20984	10.6
271.08163	0.5
277.19504	1.9
285.22034	4.5
287.20047	0.7
295.20508	23.0
296.20786	0.5
303.23120	2.5
313.21545	37.0
325.11328	2.9
331.22607	51.0
332.23029	0.6
343.70654	0.5
349.23645	21.1
468.20193	0.5
690.30383	2.5
703.05640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01884	8.1
55.04721	0.9
55.05261	1.6
55.05504	23.5
57.03431	23.5
59.04981	1.6
60.14665	1.1
61.02900	5.9
67.05486	24.7
69.03407	2.7
69.07050	6.5
71.04978	4.8
72.22703	1.0
73.22649	1.1
76.22610	0.9
77.71697	1.1
79.05473	30.0
81.03401	58.5
81.07032	31.1
83.01327	8.1
83.04964	21.5
83.08597	24.9
85.02885	25.1
85.06555	1.3
91.03940	2.3
91.05460	31.9
93.07021	30.2
95.04940	27.7
95.08572	12.7
97.02853	7.9
97.06498	5.5
97.10148	5.8
99.04431	1.7
105.06342	1.8
105.07011	25.2
107.04961	11.6
107.08575	14.6
109.06511	9.2
109.10165	2.7
110.44688	1.1
111.04449	1.5
111.08071	7.3
113.05989	1.6
117.07008	5.8
119.08568	20.1
121.06477	5.4
121.10124	11.6
123.08040	6.9
125.09599	1.2
127.94308	1.1
129.06976	8.3
131.08565	13.3
133.06412	1.3
133.10120	11.9
135.11678	10.6
137.09633	2.3
137.29057	1.0
145.10112	11.3
147.08095	2.2
147.11670	12.5
149.09608	6.2
153.12708	1.3
157.10126	12.4
163.11133	17.6
165.12735	1.8
173.09645	1.6
175.11110	12.0
181.12202	1.3
193.12207	30.2
209.11656	1.8
211.13268	33.1
267.15836	7.9
269.81253	1.3
283.15314	42.2
285.16852	31.0
383.22195	1.4
475.26920	13.4
493.27875	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	688.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	19.2
57.03430	15.7
57.07068	2.7
58.53669	1.8
59.04981	3.5
61.02909	4.5
63.44732	1.9
66.56717	2.0
67.05492	100.0
69.07065	19.5
71.05015	3.0
79.05467	11.6
80.33081	1.7
81.07034	44.9
83.08629	16.9
85.02909	4.2
85.06528	2.4
91.05454	11.7
92.64151	2.3
93.07008	11.6
95.08579	34.7
95.74072	2.6
97.02845	2.9
97.10153	3.2
105.07024	4.7
107.08570	4.4
109.09398	3.2
109.10137	85.8
111.08039	4.0
119.08563	4.4
121.10130	3.9
123.11646	4.1
133.10114	4.4
137.09639	2.2
168.21957	2.4
173.11732	22.8
181.53511	2.1
218.07312	2.3
229.14310	44.7
265.23373	2.4
337.27261	57.9
387.42923	2.6
465.59149	2.6
491.37158	70.5
539.25507	2.3
658.46680	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	688.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.0
57.03418	16.2
57.07052	4.7
61.02900	5.0
64.66236	3.4
67.05487	100.0
69.07050	14.4
71.08625	3.4
78.79561	3.6
78.89069	2.8
79.05455	6.5
81.07027	42.7
83.08592	8.9
85.02890	4.9
85.80797	3.1
86.68537	2.9
89.09955	3.7
91.05466	7.2
93.07027	17.4
93.22320	3.7
94.97559	3.4
95.08571	34.1
99.87144	3.4
105.07023	4.3
107.08583	7.5
109.10142	76.3
119.08546	6.7
121.10204	3.6
173.11665	17.5
229.14297	58.6
267.23297	4.2
280.54434	3.9
336.29108	3.4
337.27356	41.3
434.32816	4.4
456.35071	4.8
491.37381	34.4
509.16098	4.2
573.48737	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	688.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.9
53.03941	1.3
53.54955	0.4
53.74479	0.5
55.01875	1.0
55.05506	22.1
57.03412	2.1
57.07066	20.1
59.04996	0.5
61.02901	3.5
65.03915	1.0
65.93174	0.5
67.05140	0.9
67.05495	26.1
68.04849	0.5
69.03419	8.7
69.07053	61.2
71.04974	3.8
71.08618	10.7
73.02917	1.3
73.06515	0.6
78.95927	0.6
79.05470	9.2
81.03391	3.7
81.07037	100.0
83.04979	1.2
83.08605	42.3
84.71636	0.5
85.02888	39.3
85.06532	9.1
85.10155	3.5
87.04424	2.6
91.05442	5.1
92.08684	0.8
93.07022	29.0
95.04935	3.5
95.08585	93.0
97.02879	10.6
97.06493	3.7
97.10149	25.4
99.04419	2.2
99.08087	5.9
103.45512	0.5
105.07012	3.5
106.36617	0.6
107.04930	0.8
107.08578	38.3
109.02865	3.4
109.06479	1.2
109.10140	69.9
110.10432	0.6
111.08047	6.6
111.11703	17.6
113.09626	2.8
115.03918	0.7
119.08553	3.1
121.02839	6.4
121.06507	0.8
121.10127	20.8
123.08009	0.9
123.11678	49.1
125.09593	2.9
125.13266	7.5
127.03903	8.3
127.11167	3.8
131.08559	1.3
133.10095	1.3
135.11664	15.6
137.13231	21.3
139.03883	0.8
139.11145	2.2
139.14799	1.0
141.12753	1.2
145.02890	2.5
145.04916	5.5
145.10109	2.4
147.11609	0.6
149.13239	42.1
151.14809	10.3
153.12709	3.5
154.80858	0.7
155.14288	2.7
157.10159	0.7
159.11644	0.7
163.05948	1.2
163.14787	14.4
165.16370	6.6
167.14249	8.7
169.15808	0.9
173.13214	0.7
177.05423	1.4
177.16364	4.8
179.17909	4.5
183.17459	0.7
191.17912	4.3
193.19492	5.5
197.19070	0.8
199.14584	0.9
205.19456	3.7
207.21094	0.9
211.20468	0.7
219.20987	5.1
237.22064	1.4
247.24191	1.1
249.25729	6.0
263.27380	1.3
265.07150	0.8
275.27258	22.9
281.28366	7.4
291.02667	0.6
293.28336	58.6
294.28662	0.9
311.29404	20.2
322.06702	0.6
325.11093	1.1
329.30426	38.9
330.30765	0.7
347.31497	2.2
455.33517	0.8
491.35388	1.1
688.35699	0.7
688.46234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08216	0.5
53.00301	0.8
53.03941	1.3
54.81285	0.5
55.01864	0.8
55.05503	22.6
57.03420	3.0
57.06066	0.6
57.06805	1.0
57.07064	17.5
59.04985	1.3
61.02910	3.9
67.05490	24.6
69.03414	6.6
69.07051	69.0
71.04975	4.7
71.08620	10.3
73.02917	1.0
79.05473	10.5
81.03408	5.3
81.07036	100.0
81.69567	0.5
83.04945	0.6
83.08602	36.6
85.02887	32.7
85.06522	10.0
85.10180	2.6
87.04421	1.0
91.05460	3.4
93.07025	16.2
95.04936	1.2
95.08582	93.6
97.02871	8.0
97.06521	3.4
97.10145	27.5
97.10740	1.1
99.04440	2.3
99.08065	9.1
105.07030	3.6
107.08570	19.4
109.02875	5.3
109.06522	1.1
109.10139	67.9
111.08053	5.2
111.11698	20.8
111.75753	0.6
113.09640	1.2
114.86993	0.6
115.92723	0.6
119.08594	2.3
121.02827	1.0
121.10110	13.3
123.11682	39.9
125.09605	1.4
125.13241	9.5
127.03909	6.2
127.11163	4.6
131.08510	0.9
133.10092	2.3
135.11658	11.9
137.05951	0.8
137.09602	1.1
137.13226	24.9
137.14215	1.1
139.11195	1.3
139.14809	1.4
141.12711	2.2
145.02864	0.6
145.04927	4.5
147.04366	1.1
147.11678	0.6
149.13239	16.9
151.14793	9.3
153.12715	0.7
159.11749	0.6
163.03860	1.0
163.05975	1.2
163.14787	9.9
165.09190	0.9
165.16312	4.8
167.14278	3.9
169.15898	1.2
173.13289	0.6
175.11316	0.5
177.05507	0.6
177.16391	3.3
179.17871	4.5
181.04913	3.0
191.17961	3.3
193.19545	3.8
197.18980	0.7
205.19548	2.5
207.21057	4.1
211.20485	0.7
219.21077	2.5
223.20512	0.7
237.22171	0.7
246.29318	0.6
263.27319	5.5
275.27322	9.6
281.28323	34.8
293.28323	36.6
299.29340	3.3
311.29373	40.8
312.29767	0.7
329.30444	28.6
329.33441	1.0
347.31366	2.3
373.44531	0.6
400.96899	0.6
419.31351	0.7
473.34399	0.8
491.35370	2.3
604.31421	0.7
689.36676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01863	1.8
55.05262	1.5
55.05505	22.3
57.03424	1.8
57.07067	19.2
61.02906	2.1
62.84583	0.8
63.72815	0.8
67.05492	24.0
69.03407	8.1
69.07053	62.2
71.04967	5.1
71.08626	8.1
71.19319	0.7
71.42683	0.7
73.02888	0.8
73.06524	1.1
79.05472	11.5
81.03401	3.7
81.07038	97.0
83.04955	1.6
83.08605	39.6
85.02421	1.7
85.02892	38.2
85.06535	10.7
85.10162	5.0
91.03936	1.0
91.05475	4.0
92.08986	8.0
93.07023	30.7
95.04964	1.8
95.08583	100.0
97.02874	7.8
97.06504	2.1
97.10146	25.0
98.41869	0.9
99.04482	1.3
99.08060	7.3
104.85916	1.0
105.07042	3.8
107.08582	38.5
109.02845	3.3
109.10139	66.3
111.08057	6.5
111.11703	18.3
113.09676	1.1
115.03905	1.0
119.08567	4.5
121.02812	1.6
121.10118	21.0
123.08136	0.9
123.11682	50.1
125.09605	4.5
125.13242	8.1
127.03851	6.6
127.11158	4.0
133.10139	1.8
135.11652	16.8
137.06001	1.0
137.13228	21.9
139.11156	1.7
139.14848	1.1
140.09662	0.9
145.04915	6.8
145.10089	1.5
147.11664	1.4
149.13240	39.8
151.14777	11.4
153.12721	1.6
155.14305	1.3
159.66180	0.9
163.03831	1.0
163.14809	13.3
165.16403	6.1
167.14293	10.8
169.15825	0.9
173.13348	1.0
177.05374	1.1
177.16374	4.8
179.17940	4.7
181.15845	1.1
191.17941	3.5
193.19525	4.2
205.19551	3.1
207.21060	1.4
219.21022	4.3
223.86960	0.9
237.22163	1.3
249.25679	5.7
263.27219	3.6
275.27286	20.7
281.28418	8.3
293.28317	58.6
296.61575	0.9
299.29156	1.3
311.29367	20.0
329.30414	44.5
455.33609	1.2
491.36285	1.1
688.45715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
54.81682	0.5
55.01854	2.1
55.05504	3.6
57.03418	4.2
57.07057	0.6
59.04968	0.6
60.35294	0.4
61.02912	7.5
62.73473	0.4
64.59627	0.5
67.05492	5.4
69.03416	16.1
69.07052	9.1
70.06569	0.7
70.07389	0.6
71.04973	3.7
73.02891	3.2
79.05485	6.0
80.67357	0.5
81.03405	7.8
81.07038	21.2
82.07365	2.3
83.04969	3.7
83.08601	3.1
85.02891	62.5
85.06522	4.1
87.04460	4.2
91.03922	2.6
91.05446	2.6
93.07028	9.1
94.07337	0.7
95.04937	3.4
95.08583	16.9
96.08917	1.0
97.02256	0.9
97.02869	21.4
97.06504	15.0
97.10139	1.2
99.04455	3.8
99.08042	2.0
101.02400	0.4
101.05981	1.0
105.07014	5.7
106.06538	1.0
107.04943	0.7
107.08578	11.4
108.08131	0.9
108.08890	0.9
109.02856	5.9
109.06503	14.5
109.10139	12.3
110.10491	1.1
111.04414	0.8
111.08033	2.4
111.11703	1.1
115.03897	0.9
115.05386	0.6
117.07001	1.2
119.08541	5.4
120.08907	0.5
121.06473	3.1
121.10133	8.8
122.10487	0.6
123.08046	6.9
123.11674	5.8
124.07535	2.0
124.12049	0.5
125.09589	0.8
127.03894	15.9
127.11186	0.6
131.04907	0.6
131.08534	3.6
133.10075	4.1
134.06013	0.9
135.08044	1.2
135.11656	4.4
135.14346	0.5
136.07555	0.6
137.05917	0.7
137.09593	2.5
137.13252	2.5
139.11163	3.2
141.06909	0.6
143.08521	3.8
145.04941	14.0
145.10136	5.5
147.04317	0.8
147.11607	3.9
149.09587	2.2
149.13228	4.0
150.13629	0.8
151.14885	0.7
152.07054	6.1
153.12808	0.6
155.08490	2.8
157.10069	3.8
159.07971	0.8
159.11668	5.2
161.09575	1.2
161.13199	1.0
163.06004	5.0
163.11197	1.0
163.14781	1.2
169.10051	4.1
170.08081	3.1
171.11636	2.9
173.09636	5.4
173.13231	2.9
175.11205	1.1
175.14729	0.8
177.05365	0.8
177.12692	0.9
177.16270	0.8
179.10593	0.6
181.10081	2.2
183.11667	2.2
185.13216	2.1
187.11208	1.0
187.14777	0.5
189.12758	0.6
192.55830	0.5
195.11693	2.2
197.13274	3.5
199.11160	1.2
199.14720	0.9
201.12740	0.6
205.12209	0.6
207.06502	0.5
207.11755	0.7
209.13248	2.1
210.65929	0.5
211.11206	0.9
211.14764	0.9
213.12752	2.0
215.14253	1.1
219.10121	0.6
225.12752	1.2
225.16315	0.9
227.14285	0.8
229.15944	0.7
233.15274	0.9
235.14767	0.7
237.12706	0.7
237.16338	1.1
239.14297	1.2
241.15695	0.6
243.17374	0.6
249.16431	1.1
251.14352	1.1
251.17915	2.0
253.15817	4.4
253.19609	0.8
255.17456	0.6
261.26010	0.5
265.15790	1.0
265.19351	1.0
267.17352	2.3
269.18945	4.3
271.16876	0.7
273.25580	0.6
275.17752	1.9
279.26715	0.8
281.18790	1.1
291.26776	3.7
292.27234	2.5
293.18884	8.2
305.24649	0.6
309.27777	3.9
310.28174	2.5
311.19977	14.4
325.11258	1.1
327.28796	5.2
328.29227	1.9
329.21045	100.0
330.21237	1.1
339.25388	0.6
347.21951	4.0
367.99869	0.6
410.90942	0.5
491.26251	5.4
508.24847	0.5
509.27127	1.2
526.26221	1.2
688.32318	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	687.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01859	1.3
55.05499	12.1
55.11188	0.8
57.03428	3.9
57.07062	9.3
61.02933	3.1
67.05493	22.8
69.03414	9.9
69.07050	44.3
71.04971	6.3
71.08606	2.1
73.02910	1.0
74.09689	1.5
79.05473	15.5
81.03396	4.8
81.07034	100.0
83.04945	1.4
83.08602	14.6
83.87798	1.1
85.02412	1.8
85.02888	32.5
85.06525	10.7
87.04462	0.9
89.06024	1.1
91.05457	6.5
93.06423	1.2
93.07020	37.5
95.04957	1.8
95.08581	73.7
97.02863	9.9
97.06510	4.0
97.10133	10.8
99.04432	1.9
99.08070	8.2
100.30105	1.0
105.07014	15.5
107.08572	43.1
109.02868	5.9
109.06474	3.9
109.10137	65.6
111.08070	6.3
111.11693	7.8
113.09621	1.0
115.95403	0.9
119.08549	13.6
121.06508	1.3
121.10120	30.4
121.70113	1.1
122.10477	1.2
123.04422	1.4
123.11687	33.2
125.09597	4.0
127.03845	6.9
127.11168	6.7
129.07036	1.4
131.08563	4.1
133.10117	12.0
135.11658	20.3
137.05980	5.1
137.09564	2.3
137.13220	14.4
139.11182	4.3
141.12666	0.9
145.02911	1.3
145.04919	4.4
145.06412	1.1
145.10110	5.4
147.11676	10.3
149.13220	27.2
151.11107	2.3
151.14772	5.0
153.12761	4.4
159.08049	1.4
159.11681	2.0
161.13229	8.0
163.14777	12.8
165.12743	1.6
165.16307	1.1
167.07008	4.8
167.14236	2.1
175.11118	1.0
175.14798	3.9
177.05466	1.5
177.16344	6.4
181.04726	1.1
189.09109	2.0
189.16383	4.2
190.09419	1.7
191.10658	1.3
191.17894	7.2
199.93463	1.1
203.17982	2.3
205.19402	7.2
209.19205	1.2
215.14398	1.2
217.19447	5.0
219.10172	6.1
220.10435	4.4
239.31879	1.1
247.24315	1.4
249.11244	4.7
250.11418	1.8
261.25790	1.6
273.25671	9.5
276.98813	1.0
279.26923	7.1
291.26782	25.1
297.27863	1.6
309.27811	44.9
327.28891	43.8
340.25696	1.3
345.20700	1.6
345.29871	6.1
417.29922	1.1
453.31900	1.5
460.90887	1.1
471.32867	1.3
489.33942	4.8
492.24475	1.3
509.32660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15772	0.6
53.03938	1.0
55.01860	0.8
55.05260	1.0
55.05502	14.2
57.03421	1.4
57.07065	7.9
59.04988	1.4
61.02914	1.6
64.83044	0.6
67.05491	19.2
68.85415	0.6
69.03413	4.8
69.07050	47.4
71.04970	4.6
71.08595	3.4
73.02880	0.7
79.05471	14.8
81.03403	2.9
81.07035	100.0
82.07371	0.9
83.04954	1.4
83.08605	15.2
85.02882	20.9
85.06512	8.4
86.09710	0.8
86.12358	0.8
89.53043	0.7
91.05466	4.3
92.08672	1.5
93.07023	36.1
95.04928	1.8
95.08579	79.9
97.02862	4.9
97.06496	6.8
97.10149	9.9
99.04419	1.2
99.08071	7.7
105.07008	12.1
107.04963	1.2
107.08571	33.8
109.02863	1.3
109.06499	1.5
109.10135	69.2
111.08060	8.1
111.11702	10.8
111.54394	0.7
113.09604	1.6
114.37338	0.8
119.08544	10.0
121.10114	28.3
123.08054	0.7
123.11674	34.9
125.09595	1.6
125.13205	1.3
127.03876	3.6
127.11156	6.1
131.08556	1.1
133.10103	8.0
133.48668	0.7
135.11652	22.4
137.05928	1.1
137.09590	0.9
137.13219	14.4
139.11118	6.8
141.12744	1.0
145.04945	2.9
145.10097	2.9
147.11632	7.6
149.13223	25.2
151.14793	5.0
153.12697	3.8
159.11674	1.2
161.13217	8.7
163.14774	14.1
165.12724	1.4
165.16394	3.0
167.07014	4.1
167.14253	0.9
175.14803	4.6
177.16371	6.9
179.14380	0.9
179.17940	1.0
181.05003	1.2
189.16302	3.1
191.17902	6.8
193.19518	0.8
203.17964	3.4
205.19495	10.2
209.18947	1.4
217.19495	3.9
219.20909	1.0
223.20547	6.0
226.18187	0.7
235.20486	1.1
241.21523	8.3
247.24136	2.7
261.25778	3.0
273.25711	7.0
279.26755	11.5
291.26767	23.9
297.27856	4.3
309.27802	38.9
320.42871	0.8
322.93585	0.8
327.28851	29.4
345.29904	40.3
363.31000	1.6
385.25681	0.9
491.19116	1.2
497.50592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01864	0.7
55.05505	12.7
57.03175	0.7
57.03431	15.0
57.07061	2.2
59.04978	3.7
61.02922	6.1
61.67062	0.4
65.03911	1.2
67.05493	100.0
69.03389	0.5
69.07055	8.1
69.61899	0.4
71.04964	2.7
79.05476	21.4
81.03425	0.8
81.07036	36.2
83.04986	0.6
83.08610	8.3
85.02889	4.5
85.06523	2.8
91.03947	1.1
91.05465	15.0
93.07024	25.5
95.04927	2.5
95.08587	22.3
97.02859	3.1
97.06509	0.6
97.10139	1.2
99.04385	0.8
105.06989	6.4
107.08573	13.7
109.02860	0.6
109.06487	0.9
109.10142	79.7
111.08056	2.7
117.06975	4.0
119.08559	9.6
121.10106	9.6
123.07941	0.6
123.11669	2.7
131.08530	3.9
132.94753	0.5
133.10103	4.5
135.11662	6.8
137.09557	2.3
138.19348	0.5
145.10138	3.3
147.11700	2.4
149.13220	2.2
155.10620	3.4
159.11694	1.1
161.13234	2.2
173.11737	16.5
173.13208	2.4
187.14766	1.0
202.24248	0.5
227.12720	2.4
229.14314	59.5
243.21071	3.0
257.33560	0.7
261.22058	10.5
317.24619	0.8
335.25739	43.3
471.34476	1.1
489.35660	29.0
507.36511	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	686.541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96947	2.0
55.05494	8.4
55.10273	2.0
57.06810	3.1
57.07064	55.7
59.05007	1.9
64.83130	2.0
67.05472	3.6
68.79519	1.8
69.07034	9.4
71.08611	41.1
73.06543	11.5
73.87946	2.3
74.15741	1.8
81.07027	9.5
83.08598	3.6
85.10178	20.0
87.04433	8.6
89.06011	100.0
95.08590	2.6
97.10152	3.9
107.07076	5.0
111.11664	3.1
117.09085	5.4
127.64931	2.1
133.08571	41.8
177.11220	14.2
183.73726	2.9
193.57822	2.5
274.77295	2.4
295.78867	2.5
299.29202	3.0
309.79901	2.1
343.32056	3.8
453.45569	2.8
559.39697	2.7
622.58789	2.6
669.50806	13.5
686.53772	4.0
687.46338	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	687.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	0.6
53.03923	1.5
55.01870	1.2
55.05503	16.3
55.70840	0.7
57.03424	3.4
57.07069	8.5
58.72096	0.6
59.04990	1.5
61.02909	1.8
66.69971	0.7
67.05495	24.4
69.03416	10.2
69.07051	42.1
71.04976	5.1
71.08618	0.8
73.02899	0.8
73.92962	0.7
74.22830	0.6
79.05472	13.5
81.03402	1.6
81.07037	100.0
82.07352	1.2
83.04954	1.3
83.08600	15.4
85.02885	21.5
85.03363	1.2
85.06536	13.3
87.04472	1.3
88.49734	0.8
91.05458	4.6
92.09112	7.0
93.07022	31.0
95.04948	3.6
95.08585	83.0
97.02872	7.6
97.06494	5.9
97.10139	10.5
99.04425	1.2
99.08056	9.1
105.07018	13.6
107.08572	40.0
109.02840	1.4
109.10140	67.3
111.08047	8.0
111.11674	6.3
115.03878	0.9
117.03365	1.8
119.08575	10.7
121.10112	28.0
123.08057	0.9
123.11678	40.9
124.11981	0.8
125.09605	3.0
125.13273	1.3
127.03875	2.8
127.11159	7.1
131.08539	0.9
132.18300	0.8
133.10104	9.0
135.08037	0.9
135.11664	19.6
137.05946	1.5
137.09599	1.4
137.13235	13.9
139.11134	9.4
141.12750	1.7
145.02811	7.4
145.04898	2.8
145.10120	3.3
147.11670	9.6
149.05893	1.1
149.13229	22.7
150.13591	0.9
151.11230	1.1
151.14743	6.8
153.12685	5.3
157.10182	1.0
157.38380	0.8
159.11769	1.1
161.13182	6.2
163.14790	11.2
165.12704	1.3
165.16330	1.5
167.07085	1.4
167.14323	1.9
171.13890	0.9
175.14815	3.9
177.05446	10.9
177.16379	8.6
179.14349	1.1
179.17972	1.4
189.16393	2.8
191.17937	5.9
203.17932	3.9
205.19481	10.6
217.19490	4.0
219.20930	1.1
221.19029	1.9
223.20512	3.3
230.84015	0.9
241.21567	3.1
245.09836	0.8
247.24303	1.4
249.31607	0.8
261.25726	4.1
273.25696	7.3
279.26749	12.6
291.26782	22.9
297.27808	13.7
309.27829	29.9
315.28818	1.1
327.28885	28.4
345.29956	25.6
516.97662	0.9
586.97375	0.8
687.47498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.0
55.05496	9.3
57.03425	8.6
57.07064	69.5
61.02597	0.9
61.02912	27.9
67.05491	18.1
67.80643	0.7
69.03404	3.7
69.07056	11.0
71.08614	52.8
73.02898	9.2
75.04447	1.5
79.05458	1.5
81.03414	1.2
81.06594	1.4
81.07033	27.5
83.08606	19.4
85.02424	1.5
85.02891	31.6
85.06531	1.2
85.10161	30.5
85.10653	1.5
89.06025	1.4
91.03928	17.0
93.07008	1.2
95.08581	39.2
97.02853	15.0
97.10148	14.6
98.64398	0.9
99.11713	1.6
109.10133	19.1
111.11687	3.5
115.03883	1.3
123.11672	8.8
124.27249	0.8
127.03870	5.6
137.13168	1.8
139.33734	0.8
145.04922	6.2
151.14810	1.6
151.56172	0.8
163.05984	10.2
175.49963	1.0
187.09003	0.8
193.04312	1.1
225.90671	0.9
234.64568	0.9
235.24249	1.6
253.25201	16.0
271.26273	5.2
311.77271	0.8
327.28873	100.0
328.29239	1.2
345.29907	47.1
472.69473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31701	1.3
53.06357	1.3
55.05501	3.8
57.03423	7.8
57.06809	3.0
57.07069	59.7
59.49747	1.3
61.02908	19.5
67.05193	1.6
67.05498	16.6
69.03418	3.2
69.07052	14.6
71.08617	48.2
73.02888	7.4
75.04466	1.8
76.16242	1.5
81.07037	24.8
83.08608	14.7
84.16617	1.8
85.02906	19.4
85.10169	27.5
87.87218	1.4
89.06018	2.5
89.86703	1.5
91.03926	15.3
95.08595	33.9
97.02881	9.1
97.10133	12.0
105.06986	1.8
109.10131	15.8
111.11721	2.2
115.03876	2.5
123.11663	4.0
127.03940	3.8
130.61615	1.7
142.78543	1.7
145.04955	3.1
149.02382	2.4
156.00081	1.7
163.06029	7.8
173.48405	1.8
185.85069	1.5
193.04834	2.5
235.24283	1.9
253.25188	18.9
269.84964	1.7
284.29468	2.1
327.28873	100.0
345.29907	39.4
414.99634	1.9
425.05695	1.9
555.29718	2.4
686.38452	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89177	0.5
55.01859	0.7
55.05503	13.1
57.03178	0.7
57.03429	16.7
57.07055	1.5
59.04982	3.4
61.02912	6.5
65.03918	1.0
67.05492	100.0
69.03412	1.3
69.07050	10.3
70.26646	0.6
70.57202	0.5
71.04958	3.0
73.02905	0.9
77.74922	0.7
79.05473	23.7
81.07039	39.1
83.04981	0.8
83.08597	6.8
85.02871	4.6
85.06535	2.5
91.03922	1.2
91.05453	15.2
93.07022	28.3
95.04904	1.5
95.08581	28.8
97.02848	2.6
97.06511	0.9
97.10127	1.1
105.07022	7.7
107.08569	12.6
109.06496	0.8
109.10138	75.3
111.08070	2.8
117.07018	2.8
119.08550	9.5
121.10123	9.8
123.11668	3.1
131.08565	4.9
133.10121	3.7
134.42995	0.6
135.11671	7.5
137.09586	3.5
145.10092	3.1
147.11668	3.0
149.13237	2.7
155.10643	3.4
159.11681	3.1
161.13216	2.3
163.14783	1.4
173.11742	14.0
173.13194	2.6
227.12849	1.5
229.14311	53.7
243.21053	3.5
261.22086	10.9
286.34280	0.7
317.24539	1.0
335.25720	58.8
393.49619	0.8
489.35648	50.4
490.35989	1.2
507.36533	5.0
507.69464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03422	0.7
53.00305	0.8
53.01452	0.8
53.03936	2.0
54.23857	0.8
54.32421	0.7
55.01846	1.4
55.05504	19.6
57.03424	5.0
57.07064	19.2
61.02902	5.2
65.03926	1.6
67.05492	42.0
69.03420	16.8
69.07054	45.9
71.04976	5.7
71.08615	10.6
73.02902	2.0
73.06546	2.2
79.05475	23.2
81.03396	18.3
81.07037	96.0
82.07352	1.3
83.04972	1.8
83.08604	25.4
85.02891	54.1
85.06530	3.8
85.10158	4.5
87.04446	1.5
89.03918	1.2
91.03952	1.0
91.05459	20.0
91.05992	1.2
92.09059	1.2
93.06423	1.2
93.07022	52.7
95.04964	6.9
95.08585	100.0
96.08887	1.3
97.02871	14.7
97.06487	3.8
97.10146	17.5
99.04435	4.1
99.08054	1.2
101.11494	1.0
105.07020	30.3
107.04908	1.1
107.08577	37.7
109.02853	12.0
109.06518	4.9
109.10141	81.1
110.10490	1.1
111.08081	2.1
111.11697	9.5
115.07482	1.2
117.07016	1.7
119.08562	24.4
121.10117	33.7
123.04376	1.2
123.08057	2.3
123.11684	27.4
125.09627	1.5
125.13193	1.3
127.03877	15.3
127.07431	1.1
127.11191	1.1
131.08543	1.8
133.10107	27.9
135.04382	7.1
135.11650	27.1
137.09592	47.6
137.13257	10.6
138.09895	1.8
139.11140	1.3
145.02823	6.6
145.04938	7.1
145.10095	1.5
147.04393	1.3
147.11668	26.4
149.05882	1.0
149.09590	1.3
149.13243	18.7
151.11069	2.1
151.14819	4.6
153.12854	1.1
155.10619	3.9
159.11661	1.0
161.13222	16.6
163.03874	34.1
163.05925	1.4
163.14761	14.5
165.09084	26.4
165.12695	7.3
165.16380	2.0
167.07042	1.3
175.14786	5.9
177.05467	1.0
177.16379	5.5
183.13748	1.5
189.16301	7.9
191.17920	4.7
203.17978	6.5
217.19479	10.4
221.19038	1.0
247.24068	4.2
261.25690	1.4
267.31982	0.9
273.25708	33.5
279.21747	0.9
279.26678	5.4
291.23514	1.4
291.26773	39.1
309.13239	1.8
309.27789	31.1
327.14359	3.7
327.28848	5.8
338.21692	0.9
345.29965	13.2
357.16577	1.0
375.49161	1.0
399.17801	1.1
441.20578	1.4
453.17215	1.8
471.17874	1.0
494.62344	1.2
612.95050	1.3
651.22290	4.7
687.36072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
54.81963	0.2
55.01846	1.1
55.05495	1.0
56.89273	0.2
57.03433	1.3
58.25002	0.2
60.35191	0.1
61.02684	0.1
61.02911	2.2
65.12595	0.1
67.05486	1.8
67.30501	0.1
69.03065	0.3
69.03406	5.4
69.07041	1.2
71.04962	1.2
73.02885	1.2
74.17490	0.2
79.05477	2.0
81.03402	2.7
81.07032	3.7
83.04961	4.6
83.08572	0.3
85.02885	17.5
85.06510	0.4
87.04442	1.5
91.03931	0.4
91.05438	1.5
93.07011	3.3
95.04957	1.5
95.08576	3.8
97.02873	5.3
97.06503	17.4
97.39488	0.2
99.04417	1.6
101.06016	0.3
105.07002	4.4
107.04943	0.5
107.08569	2.9
109.02876	1.8
109.06493	9.2
109.10120	1.3
111.04404	2.2
111.08019	0.3
113.05974	1.1
114.93375	0.2
115.03890	0.2
117.00883	0.2
117.06967	1.1
119.08543	3.4
121.06477	2.5
121.10088	1.4
123.08033	7.6
123.11685	0.8
125.05960	0.5
127.03889	3.7
128.06186	0.3
129.06989	1.3
131.08533	3.8
133.06456	0.5
133.10091	2.2
135.08031	1.3
135.11658	0.9
137.05981	0.2
137.09599	0.4
141.06924	0.3
142.07748	0.4
143.08527	3.5
145.04933	2.7
145.06480	0.3
145.10065	4.1
147.08023	1.3
147.11668	1.8
149.09610	1.8
149.13246	0.3
151.11107	0.8
154.07809	0.2
155.08490	2.3
156.09395	0.2
157.10086	5.2
159.08000	1.2
159.11639	2.5
161.09576	1.1
161.13214	0.3
163.05971	0.9
163.11142	0.9
165.09088	0.2
167.08507	0.5
169.10057	3.1
171.08043	0.4
171.11630	2.9
173.09586	2.9
173.13152	1.3
175.11147	1.5
175.14760	0.8
177.12749	1.1
179.08562	0.5
181.10063	1.5
183.11629	3.5
184.12405	0.2
185.09520	1.5
185.13193	2.5
187.11165	1.4
187.14775	0.7
189.12730	0.4
191.10681	0.2
193.10130	0.8
194.10890	0.3
195.11613	2.1
197.09642	0.6
197.13287	2.0
199.11095	1.7
199.14807	2.0
201.12715	1.2
201.16292	0.4
203.10561	0.3
203.14319	0.5
205.10127	0.3
205.12239	0.3
207.11650	1.7
208.12538	0.3
209.09581	0.3
209.13229	1.1
210.13947	0.2
211.11171	0.8
211.14758	2.0
213.12729	1.9
213.16304	0.8
215.14214	0.7
217.12146	0.3
219.11722	0.2
221.13184	1.2
221.15227	0.2
223.14763	3.1
225.12746	1.6
225.16286	0.4
227.14197	2.8
228.14960	1.1
229.12271	0.3
229.15811	6.3
231.13794	1.2
233.13223	0.4
235.14786	1.7
237.12654	0.4
237.16257	0.7
239.14262	1.1
239.17880	0.7
240.14865	0.2
241.15819	4.7
242.16595	1.0
243.17397	2.4
247.14798	0.7
249.12724	0.7
249.16385	1.1
251.14204	1.4
253.15761	0.9
253.19496	1.1
255.17313	0.4
258.13818	0.3
263.14386	0.4
263.17856	2.0
265.15848	0.9
266.16513	0.3
267.17264	1.6
269.15305	2.1
269.18613	0.4
271.20447	0.8
273.16309	0.8
276.15161	0.2
281.15729	0.4
281.18887	4.8
283.16782	0.3
285.18280	0.3
290.11905	0.2
291.17349	4.4
294.16177	0.3
299.16766	0.3
299.19907	2.1
309.18396	11.1
310.18979	0.2
312.17188	0.9
325.11221	0.3
327.19464	100.0
328.19797	1.8
344.29102	0.2
345.20456	3.3
471.23679	0.2
489.17758	0.3
489.24731	9.2
507.25772	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	686.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00679	0.3
53.03918	0.7
53.55111	0.3
53.97157	0.3
55.01842	1.5
55.05491	2.1
57.03414	2.4
57.07052	0.8
59.04982	0.9
61.02900	1.7
65.03932	0.5
65.70177	0.4
67.05487	5.1
69.03413	8.1
69.07056	3.9
71.04967	2.1
72.04391	0.3
73.02907	0.5
75.04463	0.3
79.05470	3.5
81.03396	5.2
81.06592	0.6
81.07034	11.4
82.07348	0.5
83.04967	4.0
83.08585	1.5
85.02885	18.6
85.06507	2.4
86.81122	0.4
87.04468	3.2
88.53996	0.4
89.03885	0.7
89.05977	0.3
91.03897	0.5
91.05427	3.7
93.07019	8.0
95.04926	2.8
95.08574	9.7
96.08952	0.5
97.02860	7.6
97.06500	10.6
97.10091	0.5
99.04397	1.8
99.08065	0.4
105.07000	6.2
106.07312	0.4
107.04926	0.8
107.08574	8.3
108.08888	0.4
109.02837	3.9
109.06501	7.4
109.10136	9.2
110.10487	0.5
111.08038	2.0
115.03905	1.8
115.05341	0.5
117.03342	3.5
117.06992	0.7
119.04915	0.9
119.08545	7.6
120.05074	0.5
121.06461	5.7
121.10120	6.3
123.04431	0.6
123.08040	5.8
123.11646	3.4
125.09615	0.7
127.03891	4.4
129.06970	1.7
131.04854	0.5
131.08525	4.9
133.04964	0.6
133.06422	2.1
133.10086	4.8
134.10402	0.7
135.04401	0.5
135.08034	0.9
135.11620	3.2
136.12041	0.4
137.05908	4.0
137.09572	6.6
137.13200	0.4
141.07027	0.6
142.07790	0.6
143.08571	3.7
145.02823	9.7
145.04929	2.9
145.06409	0.6
145.10094	4.9
147.04359	0.6
147.08025	1.9
147.11641	3.2
149.05942	2.1
149.09589	2.6
149.13214	2.7
150.13615	0.6
151.07498	2.3
151.11148	0.9
155.08528	1.9
155.10611	0.6
157.10097	3.9
159.08034	3.2
159.11678	4.5
161.05983	0.7
161.09579	2.5
161.13194	0.9
163.07486	0.8
163.11107	2.1
165.09088	3.8
167.06961	4.7
167.08298	0.6
169.10101	0.9
171.07968	0.9
171.11664	2.6
172.05278	0.6
173.05940	0.7
173.09593	2.3
173.13242	2.3
175.11171	2.8
175.14763	2.2
177.05426	15.9
177.06932	0.7
177.12703	2.6
179.07010	1.0
181.04857	0.4
181.10106	0.9
183.11591	1.4
185.09581	1.5
185.13223	2.3
187.07492	1.7
187.11078	0.8
187.14728	0.8
189.09102	0.8
189.12700	0.7
189.16316	0.5
195.11685	1.8
195.13644	0.5
197.13165	1.9
199.07471	0.4
199.11133	1.4
199.14700	1.3
201.05440	5.9
201.12698	0.9
203.08678	0.4
203.14285	0.4
204.07848	0.6
205.12245	0.6
207.11667	0.7
209.13237	1.8
211.11240	0.7
211.14836	0.9
211.16870	0.6
213.05440	0.9
213.12762	0.9
213.18513	0.5
219.10066	0.8
221.05946	0.4
221.11615	0.8
223.14780	3.9
225.12675	1.9
225.16377	0.8
229.15785	0.6
231.06480	1.4
231.13762	1.0
233.11548	0.6
234.06726	1.5
237.16331	0.5
239.14331	0.9
239.17845	0.8
241.15823	2.4
247.07486	0.5
249.08865	0.8
249.11183	13.7
251.17743	0.6
253.19537	1.6
262.06177	1.7
263.06876	0.8
263.17993	1.7
265.08591	0.6
265.15762	0.5
267.17441	0.9
269.18985	0.9
271.20682	1.6
271.24042	0.5
274.06241	0.5
275.07050	0.7
275.16525	0.4
277.08527	1.5
278.05807	0.5
281.18961	12.4
287.16312	0.8
290.05649	1.6
291.06332	0.5
291.17349	1.5
292.07248	0.7
295.09573	0.4
299.16568	0.9
299.19949	16.2
303.06470	1.8
305.04623	0.7
305.08008	3.4
307.09555	0.5
307.26324	0.9
309.18414	5.7
315.80103	0.4
321.24100	1.8
323.09106	0.6
325.10699	2.1
327.19421	7.1
335.09137	4.0
337.10593	2.8
339.10654	0.6
339.25110	1.6
343.28342	0.7
345.20526	100.0
346.20822	2.0
355.11600	4.6
367.11511	3.8
373.23672	2.4
374.23953	3.9
375.24026	1.5
385.12820	1.7
453.17511	0.5
507.25729	2.9
556.70624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71392	0.3
51.02373	0.3
53.03918	1.8
55.01847	0.6
55.05492	2.4
55.26276	0.3
57.03423	2.5
57.07053	0.7
59.04995	6.1
60.40331	0.6
61.02899	2.4
67.05491	3.8
69.03417	9.9
69.07049	4.0
71.04972	2.2
73.02883	1.5
78.41756	0.3
79.05461	2.3
81.03403	5.3
81.07038	9.5
83.04942	2.7
83.08602	0.8
85.02886	19.3
85.06518	2.0
87.04452	6.6
91.05450	4.5
93.07027	7.8
95.04928	2.1
95.08581	6.5
96.08894	0.6
97.02262	0.5
97.02869	13.1
97.06496	5.7
99.04440	2.5
99.08082	0.6
102.35567	0.4
103.05408	0.5
105.05482	0.8
105.07010	5.9
105.46088	0.3
107.04929	2.6
107.08570	5.9
109.02848	3.4
109.06490	5.4
109.10119	5.6
110.10456	0.4
111.04413	0.5
111.08054	0.8
115.03902	2.3
115.05406	1.7
117.06978	2.2
119.04910	0.5
119.08562	5.5
121.06501	5.0
121.10120	5.2
122.03574	0.5
123.04356	0.4
123.08051	4.4
123.11678	2.5
127.03887	8.4
127.11113	0.5
128.06187	2.5
129.06996	7.3
131.08531	11.0
133.04919	1.5
133.06465	2.7
133.10098	5.1
135.04405	0.4
135.08025	2.0
135.11681	2.5
136.12000	0.6
137.05972	3.6
137.09590	4.4
137.13246	0.5
141.06985	2.5
142.07738	0.7
143.08513	3.9
144.05630	2.9
144.09346	0.5
145.02840	2.0
145.04893	3.8
145.06433	3.5
145.10091	3.4
146.07278	0.7
147.04379	0.9
147.08012	2.0
147.11658	2.0
149.06021	0.4
149.09581	2.3
149.13235	1.6
151.07509	0.6
151.11122	0.8
153.06961	0.7
155.08514	0.8
156.05638	0.6
157.06459	4.8
157.10091	2.6
158.07246	0.7
158.95605	0.4
159.08017	16.3
159.11630	3.2
159.96481	0.3
160.05083	0.5
161.05977	1.6
161.09567	5.4
161.13206	0.7
163.07491	0.5
163.11104	1.4
163.14700	0.4
165.09026	0.9
167.06992	4.2
169.06404	1.2
169.07628	0.7
169.10081	0.5
170.07201	2.5
171.07942	3.2
171.11641	2.6
172.05118	1.9
173.05966	2.8
173.09560	2.0
173.13222	1.8
174.06711	0.8
175.07512	1.9
175.11128	1.5
175.14777	1.5
176.15131	0.8
177.05447	3.2
177.12720	1.7
177.16342	1.5
178.06163	0.8
183.11595	1.2
185.09532	0.5
185.13208	1.7
187.07501	12.2
187.14752	0.4
188.08279	0.5
189.05463	0.6
189.09064	5.9
189.12729	0.6
190.06192	1.3
191.06929	1.3
191.10617	0.6
192.07782	0.7
195.11676	1.3
197.13263	0.5
198.06729	0.7
199.07512	0.8
201.05359	4.1
201.09167	1.7
201.16350	0.5
203.07024	2.3
203.14293	0.4
204.07756	6.2
205.08488	0.7
206.09334	0.6
209.13208	0.6
211.14938	0.5
211.16853	0.5
213.05505	0.6
213.12817	0.6
216.07762	1.8
217.08543	1.4
218.09268	0.6
219.10106	4.3
221.08063	0.4
221.11684	2.1
223.14798	2.9
225.12718	0.6
225.16428	0.4
227.14261	0.4
229.15916	0.4
231.10306	3.5
231.13754	0.6
233.05951	0.4
233.11627	4.6
234.06683	0.5
237.11168	0.4
239.14247	0.7
239.71300	0.4
241.15768	0.7
247.07617	0.4
249.11160	100.0
250.11557	2.0
251.12726	1.6
251.17792	0.4
253.19597	0.5
262.06229	0.5
263.17905	1.7
264.07889	0.4
267.12308	3.2
267.17392	0.6
269.19080	0.6
277.08588	0.9
281.18973	7.1
290.05606	2.0
291.17331	0.5
293.08163	0.5
299.19962	10.8
303.23083	0.6
305.08029	2.1
307.09573	0.9
307.26086	0.6
309.18298	3.8
321.24036	1.7
325.10571	2.0
325.27414	0.6
327.19418	3.4
335.09030	1.6
337.10727	2.9
339.25186	1.6
345.20529	61.5
346.20627	0.6
355.11792	2.7
357.19003	0.6
357.26041	0.6
367.11664	0.8
373.23590	0.6
374.23846	1.3
375.24197	0.6
385.12720	0.5
406.31256	0.4
507.25851	1.9
534.31122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.8
57.07060	1.8
67.05486	13.0
69.07050	19.0
79.05468	11.2
81.06588	1.9
81.07035	36.3
83.08598	8.1
91.05436	10.5
93.07013	41.3
95.04977	1.9
95.08578	57.9
95.09186	1.9
95.91970	1.1
97.10138	5.1
105.07011	27.6
107.08567	55.2
109.10128	33.4
111.08060	2.4
111.11729	1.5
117.06995	7.3
119.08548	47.0
121.10108	43.7
123.08037	1.3
123.11693	14.2
125.09592	1.7
126.63822	1.1
129.06982	3.9
131.08525	19.6
133.10088	32.4
133.11020	1.6
135.11650	32.5
137.13260	6.2
139.07530	1.2
141.07018	1.5
143.08534	8.4
145.10094	27.6
147.11659	25.0
149.13240	16.2
151.11195	1.0
151.14813	1.7
155.08485	2.1
157.10086	14.2
159.11647	29.6
160.12392	1.2
161.13213	31.0
163.14783	38.2
165.12686	1.2
169.10037	6.7
171.11603	16.7
173.13228	25.4
175.14780	18.2
177.16348	6.3
179.14288	2.5
183.11644	5.7
185.13193	11.3
187.14795	18.6
189.16339	12.2
191.17847	4.6
197.13277	4.2
199.14778	10.7
201.16385	16.4
203.17892	10.9
205.12267	1.3
207.17345	1.3
211.14760	5.8
213.16483	7.8
215.17894	45.3
215.19954	1.6
216.18272	1.6
217.19492	2.1
219.13631	1.1
223.14772	1.7
225.16367	2.1
227.17868	10.7
229.19437	29.7
229.21466	1.8
231.13649	1.2
233.15205	1.2
239.17903	6.7
241.19421	19.3
242.19885	1.2
243.21062	5.9
247.16855	2.1
253.19444	6.9
255.20972	12.8
257.22485	1.9
261.18375	17.0
267.20975	5.5
269.22583	8.4
271.24103	1.2
273.18481	2.1
275.20065	6.4
281.22595	2.1
283.24380	1.2
285.18469	1.2
287.20041	13.8
293.22552	1.5
295.24197	4.2
299.19922	5.5
301.21619	7.3
313.21542	6.0
315.23077	5.2
321.25674	1.2
327.23083	1.8
339.23111	1.3
343.26196	2.0
348.19604	1.0
389.31812	5.9
391.33444	13.6
407.32849	4.1
409.29480	1.3
409.34464	29.5
419.32828	5.0
435.32526	7.5
437.33994	45.0
453.33432	19.7
454.33820	1.6
455.35046	100.0
472.35013	4.6
473.35263	2.0
669.09186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.4
53.03954	2.5
55.01867	2.4
55.05504	33.8
57.03423	6.1
57.07073	17.2
58.72264	1.2
59.05000	1.7
60.77115	1.4
61.02904	2.9
67.05489	23.7
69.03424	30.4
69.07056	95.8
71.04979	6.7
71.08614	7.5
72.46816	1.6
73.02922	1.6
73.06538	1.8
79.05470	19.5
81.03401	9.2
81.07040	100.0
83.04971	26.9
83.08610	35.8
85.02894	59.3
85.06548	8.0
87.04462	6.8
87.88703	1.3
91.05466	12.8
93.07019	38.7
95.04948	7.3
95.08585	77.2
97.02866	18.9
97.06522	24.7
97.10149	22.7
99.04478	2.5
99.08061	6.6
105.07011	24.9
107.08580	50.1
108.00294	1.5
109.02879	6.2
109.06510	6.5
109.09393	2.1
109.10143	59.3
109.10844	3.2
111.08078	3.4
111.11716	11.2
113.05997	2.4
115.03947	2.2
115.07583	1.5
117.07008	1.8
119.08561	17.9
121.06474	2.6
121.10128	36.8
123.08044	8.1
123.11684	25.3
125.05985	6.3
125.09593	2.7
125.13243	2.0
127.03873	12.2
127.11205	3.0
131.08583	7.5
133.10100	12.6
134.98630	1.6
135.08023	3.3
135.11684	31.2
137.09595	5.8
137.13231	7.6
139.11192	5.5
145.03984	1.4
145.04886	12.0
145.10092	12.2
147.11653	17.9
148.12051	1.7
149.09587	5.8
149.13252	26.0
151.11166	2.4
151.14754	2.1
153.09085	2.1
153.12791	2.6
157.10077	2.0
159.11642	12.0
161.13246	14.0
163.11098	5.6
163.14827	8.9
165.12711	3.5
167.10667	3.2
173.13223	6.5
175.11177	2.2
175.14853	7.1
177.05496	2.6
177.12653	2.0
177.16360	3.2
179.14275	1.8
179.17871	1.7
187.14828	3.6
189.16394	2.4
191.17952	9.6
193.12227	2.9
201.16367	1.6
203.17950	2.9
205.19513	7.9
209.19113	2.4
211.43542	1.6
215.17894	6.1
245.22635	3.3
259.24347	1.6
261.25772	1.8
271.24176	18.0
277.25131	1.6
289.25259	34.2
307.26242	55.1
319.26151	8.9
325.27325	69.1
326.27603	2.9
337.27267	9.7
353.26532	2.4
354.27051	5.5
355.28354	11.8
373.29480	11.0
385.65805	1.5
451.29599	1.5
469.31345	2.2
487.32495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.2
55.05504	51.7
57.03421	13.4
57.07072	27.7
61.02911	48.0
61.16289	1.9
67.05490	59.1
69.03417	4.7
69.07052	89.0
71.04977	3.4
71.08605	14.8
73.02910	17.5
75.04440	2.9
77.40811	2.5
79.05481	32.3
81.07039	87.5
83.08601	58.2
85.02884	49.7
85.10172	4.6
91.03938	40.5
93.07020	45.5
95.08584	82.0
97.02906	17.8
97.06514	16.4
97.10143	43.2
107.08584	35.2
109.10147	32.1
111.08074	11.0
111.11705	15.0
121.10115	62.1
123.11696	14.7
123.69386	2.4
125.07776	2.3
127.03885	5.7
135.11670	48.3
137.13216	3.6
137.22530	3.2
139.11145	2.7
145.04913	5.6
149.13245	25.4
151.14830	4.1
163.06018	15.0
163.14804	3.8
169.71458	2.7
177.16400	3.1
193.29262	2.6
195.43102	2.5
201.95457	2.8
233.22513	41.5
251.21208	5.2
251.23651	88.8
259.87637	2.8
269.24808	18.8
325.27319	100.0
343.28421	73.9
377.08963	2.6
508.68289	2.7
542.68726	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	684.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.0
53.03949	0.6
55.01861	2.4
55.05503	4.0
57.03429	22.4
57.07060	0.6
59.04995	5.3
60.04510	1.2
61.02911	5.0
67.05502	6.9
69.03416	69.8
69.07052	3.5
71.04988	2.6
73.02900	2.6
75.04462	3.2
79.05476	8.2
81.03409	6.3
81.07037	16.5
83.04958	2.7
83.08600	2.5
85.02890	87.7
85.06512	0.7
87.04453	34.0
91.03932	1.3
91.05450	8.1
92.09322	1.0
93.07029	15.0
95.04956	3.3
95.08587	12.1
97.02872	61.1
97.06518	4.0
99.04446	4.3
101.98325	0.6
103.03964	0.8
105.07012	14.9
106.04159	0.6
107.04966	1.2
107.08571	15.5
107.53243	0.6
109.02876	5.7
109.06489	4.8
109.10142	8.3
111.04440	13.1
111.08092	0.9
115.03912	42.6
115.07576	0.6
117.07014	3.6
119.08566	12.6
120.80962	0.6
121.06444	0.7
121.10118	6.6
123.04434	0.9
123.08052	2.4
123.11703	2.2
125.05975	2.4
127.03894	11.5
127.90011	0.6
129.07001	1.0
131.08545	8.4
132.98363	0.6
133.04942	30.7
133.10109	17.9
135.04414	0.7
135.08054	1.4
135.11691	6.7
137.05972	1.0
137.09618	3.1
141.56929	0.6
142.07831	0.7
143.08586	3.1
144.09248	0.6
145.04950	11.5
145.10104	8.5
147.11679	8.4
149.09576	0.7
149.13219	3.6
150.07610	2.7
153.05495	1.2
155.08534	1.2
157.10078	3.6
159.07991	0.9
159.11676	8.5
161.09595	1.0
161.13266	3.1
163.03877	0.9
163.05968	3.8
163.11154	0.8
165.05525	0.6
168.09262	0.8
169.04947	1.3
169.10107	2.3
171.11665	3.0
173.09528	1.0
173.13255	2.8
175.11240	1.0
175.14790	37.4
177.05418	0.9
177.09088	2.5
181.08560	0.9
181.10057	1.0
183.11722	2.8
185.13232	4.4
187.14793	0.9
189.09122	1.4
193.15828	5.9
197.13188	1.4
199.14784	0.9
201.16391	0.9
205.06750	0.6
209.13318	0.9
211.14899	0.9
211.16890	15.7
215.17920	0.6
225.16328	0.8
229.07066	0.8
241.07069	1.0
243.13713	1.0
255.13850	0.9
259.08054	2.6
269.87991	0.7
277.09137	1.3
277.19281	0.7
291.20816	0.9
295.10361	4.3
309.21951	1.3
325.11176	2.3
337.21515	9.7
355.22604	30.9
356.22974	0.8
371.22427	0.7
373.23657	100.0
374.23877	2.3
434.09067	0.6
518.87750	0.7
576.84821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18380	0.3
51.35505	0.3
53.00289	0.9
53.03921	1.5
53.12043	0.3
55.01848	1.7
55.05489	2.1
57.03170	0.6
57.03425	11.7
59.04982	3.4
60.04492	1.5
61.02919	2.9
65.03925	0.4
67.05487	5.8
69.03412	39.1
69.07034	2.5
69.59377	0.3
71.04961	1.6
73.02893	1.7
75.04449	1.9
79.05474	8.3
80.22697	0.4
81.03387	5.4
81.07032	20.6
83.04938	1.7
83.08588	2.6
85.02885	49.7
87.04443	21.0
91.03928	0.9
91.05453	8.6
93.07019	16.7
95.04945	3.2
95.07996	0.6
95.08577	12.3
95.59905	0.4
97.02865	45.7
97.06521	2.7
97.10122	0.5
99.04404	2.1
99.79103	0.3
103.03905	0.8
105.07005	17.2
107.04928	2.0
107.08569	15.5
109.02834	3.5
109.06510	5.4
109.10145	5.6
111.04403	2.4
111.08060	0.6
115.03902	23.1
117.06999	5.6
119.08553	12.3
121.06454	1.7
121.10117	11.9
123.04408	0.4
123.08052	0.9
123.11669	0.8
125.05959	29.6
125.09576	1.6
127.03870	6.5
128.06178	0.5
129.06970	3.6
131.08539	10.7
133.04936	15.6
133.10094	11.3
135.04384	0.5
135.08008	0.9
135.11659	6.4
137.05939	1.5
137.09595	1.8
139.03873	1.6
139.07487	0.5
141.06940	1.8
142.07747	0.7
143.08546	7.3
145.04935	5.7
145.06010	0.5
145.06477	0.6
145.10091	14.4
147.08009	2.1
147.11664	11.1
149.09567	0.5
149.13225	2.6
150.07596	3.3
151.11203	0.5
153.05434	27.7
155.06999	13.9
155.08505	4.7
157.10091	6.9
159.08041	1.8
159.11650	20.9
159.12932	0.8
161.09598	1.7
161.13219	5.8
163.06068	0.6
163.07539	1.9
163.14815	0.5
165.07085	0.4
167.06987	1.8
167.08534	1.9
169.04857	0.8
169.10086	4.7
171.07986	0.6
171.11655	5.5
173.09604	0.9
173.13248	4.3
175.07555	0.6
175.11166	1.6
175.14775	12.3
177.09102	2.0
179.07039	0.8
181.08627	0.7
181.10098	3.0
183.11636	6.0
185.09566	0.6
185.13185	8.4
187.07533	0.8
187.11028	0.7
187.14761	5.7
189.09102	2.2
189.16286	4.8
191.10704	0.4
193.08546	0.5
193.10115	0.8
195.11574	4.2
197.13155	4.3
199.11142	0.6
199.14766	6.6
201.09148	0.6
201.12688	1.5
201.16336	17.5
203.10634	2.0
203.17883	2.0
205.08572	0.7
205.12312	0.5
207.11732	0.8
209.09511	0.7
209.13203	4.5
211.11226	0.9
211.14792	3.7
211.16678	0.5
213.12753	1.4
213.16376	2.0
215.10628	1.5
215.17899	4.0
217.12143	2.2
221.13161	2.0
223.11273	0.5
223.14738	2.6
225.12823	0.5
225.16315	2.4
227.10587	1.6
227.14249	0.8
227.17981	0.8
229.12186	2.7
235.14934	3.8
237.16307	1.7
239.17847	0.6
241.12236	1.9
243.13734	2.1
245.84718	0.4
247.12988	0.6
249.12917	0.4
249.16243	2.6
250.17133	0.5
251.17860	1.7
253.19463	1.9
255.13719	3.5
257.15247	0.6
259.08054	0.6
261.14392	0.4
263.14160	0.8
263.17905	0.9
267.14011	0.5
267.20834	0.5
273.14832	0.9
275.17838	0.7
277.09149	0.5
277.16492	0.8
277.19412	4.7
281.15439	2.6
281.22638	0.8
291.21027	7.2
293.22617	0.8
295.10226	1.9
295.16904	0.8
295.20370	1.7
309.18552	1.4
309.22058	5.0
311.23401	0.5
319.20404	6.1
327.23212	0.9
337.21521	32.2
338.21750	0.6
355.22571	63.1
356.22964	0.5
373.23636	100.0
374.23938	1.8
534.25098	0.4
535.28912	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	684.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
53.03925	0.9
55.01859	1.4
55.05494	2.9
57.03428	11.6
59.04978	1.0
60.04506	0.6
61.02912	5.8
67.05480	4.7
69.03414	39.7
69.07050	2.6
71.04967	3.3
73.02895	3.3
75.04448	1.0
79.05475	8.6
81.03394	8.1
81.07036	19.0
83.08582	4.6
85.02889	59.8
87.04448	18.1
91.03960	2.3
91.05461	8.5
92.09229	0.7
93.07019	17.6
95.04942	2.9
95.08585	12.6
97.02872	52.1
97.06505	1.4
97.32758	0.7
99.04433	2.4
105.07021	13.6
107.04921	3.1
107.08570	15.1
109.02866	4.8
109.06516	4.4
109.10139	7.2
111.04436	2.8
111.08050	1.0
115.03908	16.0
116.95269	0.5
117.06998	3.5
119.08558	15.0
121.06449	1.1
121.10108	8.9
123.11761	2.0
125.05972	28.7
127.03889	9.0
129.06970	2.7
131.08540	10.0
133.04924	9.6
133.06456	0.9
133.10088	12.1
134.12605	0.7
135.08029	2.9
135.11664	4.7
137.05975	2.5
137.09613	2.7
139.03891	4.0
141.06949	1.3
143.08557	7.3
145.04956	8.7
145.10088	12.6
147.04385	2.3
147.08072	0.9
147.11671	9.9
149.09589	0.8
149.13232	3.8
150.07581	1.1
153.05444	29.9
153.09082	0.8
155.07028	13.3
155.08510	3.5
157.10114	9.2
159.11650	15.5
161.05898	0.9
161.09506	1.1
161.13243	5.6
163.06036	1.0
163.07526	2.8
163.11166	0.9
163.14796	0.7
165.09029	1.0
166.30304	0.6
167.07056	1.2
167.08546	2.4
169.10098	4.7
171.07985	0.7
171.11667	5.4
173.13216	5.2
175.07518	2.5
175.11159	1.0
175.14790	14.2
177.09071	1.1
179.07007	2.7
181.08600	0.7
181.10097	3.4
183.11655	5.5
185.09616	1.0
185.13223	7.6
187.11165	1.2
187.14722	4.7
189.09065	1.1
189.16383	5.9
191.10629	1.0
193.08524	1.0
193.10138	0.7
195.11671	6.3
197.13194	5.3
199.11203	1.1
199.14798	5.7
201.09001	0.6
201.12834	1.0
201.16362	20.3
203.10623	1.1
203.17920	6.3
207.11671	1.0
209.13220	5.7
211.14844	4.2
213.09077	0.7
213.12625	1.0
213.16382	2.8
215.10643	1.0
215.17874	5.3
221.13284	2.8
223.05917	0.6
223.14772	1.5
225.16289	1.0
227.10799	1.1
227.14252	2.7
227.17955	1.1
229.12259	2.3
231.13806	0.7
235.14757	3.4
237.12714	1.1
237.16228	1.0
239.17839	0.9
241.12230	1.4
243.13879	0.8
249.16359	2.7
250.42142	0.7
251.18037	2.6
253.19511	2.9
255.13744	7.1
257.15436	1.0
259.13300	1.0
263.17892	1.0
267.13766	1.0
269.15311	2.4
273.14734	6.2
277.19461	3.9
281.15323	3.2
281.22568	1.2
282.15781	0.7
287.16483	1.3
291.21060	5.9
293.22467	1.1
295.16934	1.2
295.20557	0.8
299.16235	5.7
301.19269	0.7
307.26123	0.7
309.18481	1.3
309.22061	5.8
319.20355	4.7
329.24304	0.9
337.21521	33.9
355.22589	100.0
356.22815	1.1
373.23651	91.5
374.23956	1.2
391.88998	0.7
451.78955	0.7
535.28906	51.9
536.29266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05509	4.9
56.40852	0.4
56.92020	0.4
57.03434	3.3
57.07075	2.1
59.04990	2.8
60.26657	0.4
61.02908	0.7
67.05490	11.8
69.03414	13.4
69.07054	12.2
71.04986	4.1
71.08616	0.7
71.48062	0.5
76.36091	0.4
76.56198	0.5
79.05488	2.5
81.03398	2.3
81.07037	14.9
81.07475	0.8
83.04966	9.5
83.08599	6.4
83.84848	0.5
85.02888	12.5
85.06525	3.9
87.04462	4.9
91.05454	3.4
93.07020	9.6
95.04940	2.5
95.08587	32.1
97.02877	8.5
97.06501	1.1
97.10152	2.5
99.04424	1.0
99.08071	3.9
105.07008	6.8
107.07859	0.9
107.08581	21.9
108.08907	0.6
109.02892	2.4
109.06502	10.4
109.10143	100.0
111.04451	0.7
111.08085	4.0
113.09663	2.1
115.03905	4.8
117.07011	0.9
119.08560	34.0
121.10127	13.1
123.08051	12.5
123.11681	8.3
125.09606	1.1
127.03899	3.0
127.11165	0.7
131.08493	0.7
133.04962	3.6
133.10107	25.8
133.84563	0.5
134.10452	1.1
135.11671	95.6
137.06042	0.7
137.09605	20.0
139.11179	1.9
145.02853	1.2
145.04968	3.2
145.10072	1.0
147.04443	0.8
147.11668	3.2
149.13248	7.5
151.11166	9.3
151.14798	11.6
153.12715	2.6
155.10652	0.5
162.05516	0.5
163.03877	1.9
163.05991	0.5
165.09042	1.0
165.16351	3.4
167.06973	0.8
173.13127	0.6
175.14786	38.3
177.05498	2.1
191.14268	0.6
193.15849	54.7
211.16902	97.0
250.06027	0.5
295.10339	0.7
321.17633	0.5
325.11139	0.6
337.23676	0.7
345.19760	0.5
373.22119	19.3
460.07181	0.6
489.20441	0.6
523.87781	0.6
601.24445	0.6
616.45404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.5
55.01858	1.7
55.05495	1.3
57.03415	5.6
59.04985	45.1
60.29461	1.0
61.02911	1.9
67.05485	2.6
69.03059	2.5
69.03408	30.6
69.07046	2.5
71.04978	3.0
73.02896	2.2
79.05464	6.6
81.03387	32.1
81.07018	6.0
85.02883	34.8
87.04444	35.6
91.05444	2.8
92.08673	1.4
92.09177	6.4
93.07024	3.1
95.04941	7.3
95.08590	3.1
97.02863	60.7
99.04418	6.3
103.05477	1.4
105.05488	8.9
105.07004	5.4
107.04948	12.5
107.08549	2.3
108.04451	2.8
109.02850	16.0
109.10136	5.4
115.03860	1.4
115.05418	8.8
117.06996	20.9
119.08569	2.6
121.10127	2.7
123.04398	5.6
124.05200	2.1
127.03886	35.3
128.06226	1.7
129.06966	5.2
131.04916	1.7
131.08556	6.5
133.06442	2.5
137.05943	5.4
137.09717	1.4
141.06966	2.9
143.04871	1.9
144.05659	2.4
145.04947	16.2
145.06462	60.2
145.07576	2.4
145.10089	1.4
147.04291	1.7
147.08046	1.8
152.04646	2.3
155.06003	8.6
156.05626	9.4
157.06429	2.0
159.08031	10.5
160.05162	1.5
161.05952	5.8
167.06982	56.9
173.05934	95.4
175.07527	2.6
177.05368	2.0
181.04912	2.2
184.05196	1.5
187.07533	8.4
190.06195	55.8
191.06898	2.5
193.08507	1.7
202.06245	8.5
203.07011	8.0
205.08551	100.0
207.06537	1.9
217.08556	60.7
219.08057	2.1
219.10182	5.0
223.09583	2.2
231.08527	8.7
235.07480	2.5
235.09561	31.3
242.28127	1.3
247.07402	1.9
247.09639	6.9
248.08205	1.4
263.10873	1.6
265.07993	1.8
265.10626	38.4
271.09659	1.7
273.84821	1.4
291.10010	2.0
293.07971	2.2
307.09518	1.9
315.08551	8.0
319.26758	1.3
330.10843	6.7
331.11664	1.4
337.23663	2.2
343.11920	1.7
351.12006	2.0
355.24826	2.4
383.14886	14.2
401.15945	19.4
491.81161	1.4
589.13922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20879	1.5
55.05490	7.0
57.07040	3.0
62.17764	1.6
67.05499	13.5
67.08310	1.5
69.07037	11.5
79.05469	13.8
81.07033	29.9
83.08589	3.5
91.05447	12.0
93.07020	26.7
95.04987	2.2
95.08585	42.9
97.10132	2.0
101.37824	1.8
105.07008	29.9
107.08568	37.8
109.10134	28.3
117.06956	7.1
119.08555	40.7
121.10119	24.5
123.11692	10.8
125.09653	2.1
129.06947	3.6
131.08571	20.9
133.10112	28.2
135.11682	22.0
137.13220	2.5
143.08533	9.4
145.10104	27.1
147.11668	21.3
149.13182	12.7
151.11145	2.0
155.08557	2.2
157.10083	15.2
159.11652	22.7
161.11926	2.7
161.13226	44.8
163.14755	15.1
169.10017	2.1
171.11685	16.2
173.13220	22.5
175.14842	12.8
177.12599	2.4
177.16370	2.5
179.14284	3.0
181.12155	4.0
183.11658	7.7
185.13240	13.0
187.14795	21.9
189.16351	13.4
190.83188	2.2
193.15913	2.5
197.13177	7.6
199.14806	14.2
201.16396	20.2
211.14865	1.9
213.16341	13.0
215.17868	22.0
219.17432	3.0
227.17926	7.9
229.19414	16.5
231.17422	2.3
233.15195	2.4
237.16277	1.9
239.17900	9.4
241.19427	21.4
243.17343	2.1
243.21017	3.0
245.18747	2.6
247.20329	2.2
253.19510	9.5
255.17529	2.9
255.20966	10.9
257.18930	3.2
261.18375	4.4
265.19321	2.7
267.21045	2.4
269.22571	7.0
273.18472	2.7
275.20020	4.2
287.19995	9.6
299.19931	2.3
301.21555	2.7
349.28790	7.8
389.31989	3.6
395.29089	16.5
407.33035	26.3
423.32425	7.4
425.33926	15.8
435.32492	19.0
453.33545	35.0
471.34589	100.0
492.97644	2.0
497.80457	1.9
558.18030	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	682.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01848	1.4
55.05498	5.3
57.03424	4.8
57.07061	1.9
57.77361	0.8
67.05493	13.3
69.03411	12.5
69.07056	18.4
71.04980	2.2
76.56054	0.9
79.05455	6.9
81.03384	2.1
81.07038	44.5
83.04966	5.2
83.08621	4.5
85.02882	8.8
85.06544	7.8
85.59647	1.1
87.04434	4.0
91.05458	11.3
93.07023	23.9
95.04949	5.6
95.08578	20.2
97.02876	8.4
97.06494	6.2
99.04422	5.6
105.07012	18.7
107.08574	37.0
107.09289	1.4
109.06490	14.3
109.10136	62.3
111.04414	1.1
111.08082	1.6
111.11700	2.0
113.06004	7.1
115.03899	4.5
116.69779	1.0
119.08552	10.0
121.06492	1.4
121.10119	19.8
123.08060	5.1
123.11670	17.5
125.09560	1.2
127.03895	1.1
127.07527	13.0
131.08537	1.5
133.04982	1.6
133.10103	53.2
135.08034	1.5
135.11673	7.9
137.09578	1.4
137.13231	2.2
139.11160	1.3
143.08601	1.6
145.04961	1.2
145.10118	5.3
147.11667	15.4
149.09607	2.4
149.13252	5.8
151.11160	96.7
159.11647	2.2
161.09737	1.2
161.13257	4.3
163.11137	3.6
163.14827	1.5
165.12758	6.9
169.12186	12.0
173.13206	1.5
175.14780	1.6
177.16362	4.1
179.10617	16.4
181.12190	2.2
189.16438	2.1
193.05003	1.3
193.12241	5.2
201.16269	1.6
203.17912	2.5
215.12643	11.4
235.35307	1.3
317.24750	9.1
335.25723	100.0
353.26755	20.6
411.32587	1.3
456.97946	1.3
511.92969	1.1
580.31171	1.2
623.41656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.5
57.03422	7.5
57.07069	4.0
59.04984	2.6
67.05495	19.2
69.03423	22.2
69.07052	39.5
71.04972	2.7
72.19273	1.5
79.05479	9.4
79.07508	1.8
81.03391	1.5
81.07035	52.8
83.04972	7.5
83.08601	9.2
85.02885	18.8
85.06549	3.2
87.04459	9.1
91.05450	7.3
93.07022	19.8
95.04963	3.0
95.08588	26.1
96.03284	1.5
97.02888	13.0
97.06516	8.4
99.04446	7.8
105.06992	28.2
107.08566	31.9
109.02856	2.3
109.06516	8.9
109.10142	62.3
111.08040	1.6
111.11737	2.4
113.05955	1.9
115.03929	9.0
119.08565	15.0
121.06478	1.7
121.10100	22.8
123.08083	7.5
123.11678	37.9
127.03869	1.6
127.07552	7.1
127.11147	18.3
131.08546	3.0
133.04941	6.2
133.10086	26.0
135.07967	2.0
135.11642	11.9
137.09511	1.7
144.54807	2.0
145.10117	9.2
147.11668	50.8
149.09592	6.7
149.13237	8.6
151.11163	35.9
153.12753	9.6
159.11670	3.2
161.13297	6.5
163.11168	7.8
165.12708	24.5
169.12210	3.8
171.11734	1.8
173.13217	1.8
175.11096	3.9
178.91208	1.6
179.10611	8.6
181.12265	6.2
191.10710	2.4
193.12233	26.8
200.65643	1.7
229.14235	12.9
241.13327	1.6
292.86627	1.5
317.24750	8.4
335.25739	38.8
353.26816	47.2
357.33261	1.8
370.59882	1.7
371.27841	100.0
500.99930	1.7
577.78064	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	682.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08640	0.2
51.04132	0.2
52.16380	0.2
53.03929	0.3
55.01846	0.2
55.05496	1.3
57.03416	1.6
59.04980	0.4
61.02910	0.4
65.03905	0.3
67.05491	3.5
69.03069	0.3
69.03413	7.5
69.07057	1.8
71.04950	0.5
79.05468	3.3
81.03381	0.5
81.07036	6.8
83.04957	0.5
83.08598	1.6
85.02883	5.6
85.06503	0.6
87.04456	2.3
91.05460	9.3
92.08661	0.8
92.45425	0.3
93.07022	5.1
95.04926	1.3
95.08583	5.2
96.94392	0.3
97.02868	4.1
97.06491	1.3
97.10109	0.3
99.04459	0.3
105.01495	0.3
105.07003	5.6
107.04907	0.3
107.08579	8.1
109.02886	0.4
109.06487	1.1
109.10142	5.0
113.05974	2.6
115.03893	2.2
115.05338	0.4
116.06200	1.9
117.06988	2.6
119.04916	0.3
119.07721	0.3
119.08562	7.7
121.06459	0.4
121.10131	2.4
123.08016	0.6
123.11699	1.6
125.09654	0.3
127.03869	0.5
127.07511	0.4
128.06183	0.2
129.06981	4.2
131.07018	0.6
131.08539	12.4
133.04938	0.9
133.06459	0.4
133.10109	6.0
135.08011	0.6
135.11703	2.5
142.07753	1.0
143.08510	3.0
144.09332	0.2
145.02834	1.9
145.04878	0.5
145.06459	0.5
145.10103	3.1
145.54459	0.2
147.04298	0.3
147.08060	1.2
147.11653	3.1
149.05959	0.4
149.09619	0.5
149.13202	0.6
151.07437	0.2
151.11143	4.0
155.08496	1.4
156.09302	0.4
157.10101	1.5
159.08012	0.6
159.11670	3.4
161.09628	1.0
161.13220	1.7
163.07497	0.5
165.12689	0.5
169.10066	1.7
169.12144	0.3
171.08023	0.3
171.11639	1.2
173.09572	0.4
173.13239	1.3
175.07506	45.8
175.14766	5.5
177.05444	1.9
177.09079	1.9
177.12727	0.4
177.16316	0.3
179.07019	0.9
179.10622	0.4
179.14279	2.2
181.10062	0.5
182.10956	0.4
183.08070	0.4
183.11702	0.6
185.09653	0.3
185.13242	1.5
187.07570	1.1
187.14838	0.3
189.09053	2.7
193.10103	0.3
193.12225	0.4
195.11664	1.1
197.09625	0.5
197.13225	0.5
201.09100	1.5
203.10733	0.3
207.11758	0.4
209.13269	0.5
211.11142	0.4
211.14915	0.3
213.09023	0.4
215.10703	0.9
225.09100	1.4
227.10869	0.7
231.13808	0.6
233.13098	0.3
239.10582	0.5
241.12192	4.2
243.10135	0.3
243.13762	0.4
253.12126	1.2
257.11661	0.3
262.19199	0.3
267.13788	0.3
271.13107	0.3
279.13757	0.4
296.76956	0.3
307.16718	0.3
307.20526	0.5
317.18997	0.3
317.24719	0.9
335.19931	4.0
335.25635	4.9
353.21115	3.1
353.26709	1.4
371.22076	100.0
372.22476	1.4
442.94781	0.3
455.56656	0.3
467.31558	0.3
711.62323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.3
53.03940	0.3
54.82120	0.2
55.01858	0.8
55.05499	1.0
55.40474	0.2
57.03428	6.8
57.24347	0.2
59.04975	0.9
60.04504	0.8
61.02913	1.4
67.05174	0.2
67.05487	2.8
69.03413	22.2
69.07040	1.1
71.01320	0.2
71.04958	0.4
73.02876	0.9
73.50103	0.2
75.04451	0.9
77.32209	0.2
79.05466	3.9
81.03397	2.3
81.06587	0.3
81.07034	6.8
81.07524	0.2
81.91563	0.2
83.04961	0.3
83.08597	0.8
85.02886	28.4
87.04446	9.6
91.05459	8.4
92.08751	0.3
92.09255	0.2
93.07022	6.9
95.04958	1.3
95.08582	3.8
97.02865	18.1
99.04421	1.1
103.03937	0.3
103.05447	0.3
105.03345	0.9
105.07011	8.1
107.04910	0.4
107.07852	0.4
107.08569	7.5
109.02869	2.6
109.06480	0.4
109.10139	1.9
115.03909	12.7
115.05419	0.3
116.06190	0.8
117.06991	2.4
119.08562	7.0
121.06480	0.8
121.10126	1.5
123.04375	0.5
123.08057	0.4
125.05930	0.2
127.03881	3.5
128.06161	0.3
129.06984	3.3
131.08543	7.7
133.04936	8.1
133.06493	1.1
133.10101	5.3
135.08046	0.8
135.11655	1.4
137.05978	0.3
141.06963	0.4
142.07700	0.3
143.08527	2.8
144.09300	0.3
145.04956	3.0
145.06419	0.3
145.10086	2.9
147.04413	0.3
147.08075	1.6
147.11647	3.9
149.09590	0.2
149.13213	0.5
150.07605	1.8
151.07487	0.3
155.08525	1.5
157.06448	0.3
157.10081	2.4
159.07999	0.4
159.11668	4.0
161.05945	0.2
161.09607	0.3
161.13223	1.2
163.06015	1.1
163.07521	1.0
165.12692	0.2
167.08565	0.4
169.04915	0.2
169.10091	1.4
171.08009	0.7
171.11569	1.5
173.09627	0.3
173.13216	1.9
175.07503	17.3
175.11134	0.4
175.14778	18.0
177.05414	0.2
177.09061	1.1
179.05563	0.2
179.06992	1.5
179.08440	0.3
179.14265	0.7
181.10022	1.0
182.10889	0.3
183.11626	1.2
184.75574	0.2
185.09595	0.4
185.13123	0.5
187.07501	0.4
189.09074	2.1
189.12755	0.2
195.11668	0.9
197.13205	0.8
201.09137	1.2
201.12695	0.3
203.10678	0.3
209.13202	0.4
210.70613	0.2
211.11217	0.3
213.09125	0.4
215.10658	0.4
223.14835	0.3
225.09094	0.8
225.12717	0.3
227.10579	0.8
229.12215	0.4
231.10155	0.2
235.14699	0.3
239.10719	0.3
241.07005	0.3
241.12170	2.0
247.14977	0.2
253.12120	0.5
259.07840	0.2
275.17828	0.3
289.19278	0.2
295.10263	0.4
307.20407	0.2
316.94897	0.2
325.21643	0.4
335.19943	4.7
353.21008	14.6
371.22079	100.0
372.22491	2.2
475.33865	0.2
704.83197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93399	0.3
53.00300	0.3
53.03911	0.4
54.81623	0.3
55.05494	1.6
57.03419	2.0
57.07051	0.4
59.04963	0.3
65.03915	0.4
67.05487	1.2
69.03063	0.7
69.03404	9.3
69.07042	2.0
71.04957	0.3
72.22234	0.3
72.61451	0.3
75.04437	0.3
79.05470	2.6
81.03377	0.8
81.07032	5.4
82.55979	0.3
83.04962	1.9
83.08592	0.6
85.02882	6.9
87.04440	4.8
91.05451	2.2
93.07025	2.4
95.04934	1.4
95.08589	1.6
97.02857	9.5
97.06463	0.4
99.04482	0.3
99.08075	0.4
105.06984	3.7
107.04943	1.6
107.08568	15.0
109.02876	0.5
109.06485	5.8
109.10134	5.1
111.74554	0.3
115.03915	4.4
115.05428	0.4
117.03329	0.5
117.06982	1.7
119.08553	2.1
121.06486	0.7
121.10117	11.0
122.07264	2.0
123.04376	0.4
123.08054	0.8
123.11622	0.5
125.09631	0.4
127.03920	0.8
131.08528	2.8
133.04938	3.2
133.10095	100.0
134.10469	0.4
135.04379	0.4
135.08015	14.2
135.11664	0.8
137.05948	2.5
137.09581	58.1
140.04718	0.4
143.08546	0.4
145.02814	1.4
145.04906	0.6
145.10081	1.5
147.04378	0.8
147.11600	2.7
149.09557	0.5
149.13222	14.1
149.25887	0.4
151.11163	3.6
153.05388	0.4
158.10887	1.3
163.03870	0.7
163.14735	2.1
167.07007	1.3
173.13185	6.4
177.05444	2.1
181.04898	2.3
182.05316	0.3
191.14262	33.8
197.08087	0.4
209.08351	0.4
209.15312	38.5
225.07544	0.4
340.33582	0.4
353.19635	0.5
371.20428	5.6
378.48856	0.4
460.57492	0.4
578.18622	0.4
600.29578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.3
53.03923	0.4
54.11219	0.2
55.01839	0.4
55.05501	2.2
57.03415	1.0
57.07056	0.3
59.04989	0.6
59.07243	0.2
60.74131	0.3
67.05479	1.6
69.03416	9.3
69.07050	2.1
71.04937	1.1
73.02900	0.5
73.88078	0.3
75.05403	0.3
79.05471	2.9
81.03399	1.3
81.07044	5.5
82.69477	0.3
83.04958	1.2
83.08615	0.6
85.02893	7.2
87.04449	3.3
91.03863	0.4
91.05456	3.0
93.07023	2.0
95.04969	1.4
95.08583	1.5
97.02872	5.6
99.04405	0.3
105.07011	4.2
107.04927	3.2
107.08579	16.7
109.02854	1.3
109.06504	6.1
109.10149	4.6
115.03926	2.6
115.05436	1.1
117.03330	1.2
117.06992	1.4
119.04906	0.6
119.08562	2.4
121.06470	1.2
121.10130	10.8
122.07262	1.9
123.08036	1.2
127.03874	1.5
131.04973	0.4
131.08536	2.2
133.04955	2.0
133.10107	100.0
134.10429	1.2
135.08032	12.8
135.11674	1.2
137.05995	2.4
137.09596	63.7
138.09967	0.3
139.11180	0.4
143.08519	0.5
143.10622	1.0
145.02818	4.8
145.04935	1.8
145.10118	1.4
146.03197	1.2
146.47635	0.3
147.04402	1.6
147.11658	1.8
149.05962	0.6
149.09572	0.4
149.13240	14.2
151.11150	0.5
155.43164	0.3
158.10890	1.3
159.11742	0.5
163.03874	0.4
163.06009	0.4
163.14769	2.2
167.07011	1.4
173.13231	8.4
175.16695	0.3
177.05446	8.6
178.05748	2.7
179.05931	0.5
181.04897	1.1
181.08603	0.3
191.14276	39.2
209.15340	28.9
323.18280	0.3
325.11209	0.3
353.19614	1.5
371.20538	3.4
682.30963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.6
54.81815	1.2
55.01841	2.1
55.05267	1.8
55.05503	28.5
57.03419	3.1
59.04986	25.2
61.02890	2.8
65.05186	1.2
65.35194	1.2
66.56714	1.3
68.38999	1.2
69.03130	1.2
69.03422	21.0
71.04956	1.5
79.05465	1.4
81.03384	22.9
83.01326	2.0
83.04960	80.2
85.02417	2.0
85.02892	34.7
91.05456	2.0
92.09317	3.0
95.01238	1.6
95.04938	2.7
97.02862	50.2
99.04417	3.7
101.05981	21.5
103.05419	3.3
105.06997	40.1
105.11724	1.7
108.04473	1.5
109.02857	17.5
111.04411	1.4
115.05439	6.6
119.07017	3.6
123.04411	3.3
127.03893	29.3
131.04842	3.2
133.06453	52.8
133.67288	1.4
135.04337	1.7
143.06029	2.5
145.04916	9.4
145.06435	7.4
147.04295	2.3
153.05418	2.7
155.06961	2.1
155.09726	1.6
157.06400	2.3
161.05936	100.0
163.03844	16.9
167.06987	31.3
173.05977	3.1
175.03818	3.6
175.07469	2.7
183.06630	1.5
185.38565	1.5
187.05981	2.1
187.07481	2.2
189.05426	3.2
191.07066	2.9
192.07845	3.1
193.08545	53.8
201.05388	3.3
203.06976	3.0
205.08568	7.5
207.06444	9.8
209.08047	1.9
219.06532	3.5
221.08105	2.4
227.09138	6.0
229.04822	2.7
231.06528	6.6
233.04355	3.3
233.07993	6.7
245.10156	24.0
249.07520	2.5
251.09151	14.9
257.08279	2.1
259.05823	2.7
261.07513	9.7
263.11145	2.2
268.87601	1.6
275.09094	8.0
289.06921	8.8
305.10220	2.3
307.07886	11.0
319.08038	1.9
367.10147	13.5
385.11206	49.3
569.20764	1.5
611.19391	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	682.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01857	0.2
57.03427	0.6
59.15740	0.1
61.02924	0.1
62.62929	0.1
67.05489	0.2
69.03418	1.8
70.06593	0.2
71.04979	0.3
73.02904	0.2
79.05475	0.3
81.03397	5.2
81.07046	0.3
83.04983	0.2
85.02893	2.7
87.04431	0.2
89.03894	3.1
90.07561	0.1
91.05441	1.3
93.07028	0.5
95.05016	0.1
95.08586	0.3
97.02866	1.2
99.04437	0.6
100.49557	0.1
103.05442	0.6
105.06997	0.3
107.04978	0.1
107.08604	0.5
109.02876	2.0
109.06524	0.2
109.10146	0.3
111.04417	0.2
115.03949	0.1
115.05407	0.2
117.03356	15.1
119.04922	1.8
119.08565	0.5
121.02922	0.2
121.06502	0.3
121.10122	0.3
122.03632	0.2
123.08024	0.2
124.05204	0.1
127.03922	0.5
128.95349	0.1
131.04916	0.6
131.08549	0.2
133.06448	0.2
133.10118	0.3
134.03572	1.0
135.04384	1.5
135.08110	0.2
137.05951	3.2
138.06265	0.3
139.07523	0.2
141.77737	0.1
143.04926	0.2
145.02826	57.2
145.10127	0.2
146.03172	0.2
147.04387	5.4
147.08049	0.2
148.04710	0.3
149.05963	6.1
159.08063	0.2
161.05930	0.6
162.02983	0.2
163.03870	1.4
163.07521	0.7
165.05489	0.2
167.07005	0.6
175.03885	0.2
175.07416	0.3
177.05431	100.0
178.05782	0.8
181.04913	0.3
186.05527	0.2
187.07408	0.2
188.43629	0.1
191.06943	0.3
191.08589	0.2
193.05096	0.1
194.28745	0.1
195.06493	1.7
200.09454	1.1
201.05453	0.2
207.08136	0.1
209.15311	0.2
219.07930	0.2
229.13300	2.2
230.13565	0.6
247.07274	0.2
249.11047	0.5
257.12772	1.2
258.13287	0.5
261.09003	0.2
263.06644	0.3
264.07483	0.1
274.06229	0.2
275.13779	0.7
277.08463	0.3
305.08160	0.1
307.09683	0.5
321.09515	3.8
322.11603	0.3
323.12576	0.2
328.12543	0.2
335.22137	0.2
339.10638	8.6
340.12100	0.2
341.13757	0.2
357.13199	0.6
358.13306	0.2
472.35229	0.1
681.26672	0.6
682.26801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46745	0.4
51.59471	0.3
53.00275	0.3
55.05497	0.5
56.61529	0.3
57.03423	3.4
57.07061	5.4
59.04712	0.5
59.04984	11.3
60.32120	0.3
65.03919	0.4
67.05485	25.3
69.03409	14.1
69.07016	0.5
71.04967	17.2
75.04457	0.7
79.05448	1.6
81.07025	2.1
83.04965	1.7
85.06519	23.1
87.04443	7.4
91.05473	0.7
93.07005	2.4
95.04937	41.7
95.08578	1.7
97.06495	4.0
101.05978	1.9
105.06997	1.6
107.04960	0.4
107.08568	2.5
109.10131	0.5
113.05975	100.0
114.06290	0.4
114.14917	0.4
119.08527	1.6
121.10110	1.4
121.61037	0.3
129.06995	0.4
129.69133	0.4
130.08656	0.6
131.08525	1.6
133.10089	1.6
135.11688	3.0
143.08562	0.6
145.08562	37.0
145.10016	1.4
147.11685	1.3
149.13246	0.7
157.10095	0.8
159.11633	1.4
161.13220	2.0
162.11183	3.3
171.11697	0.5
175.58447	0.3
177.09087	0.7
183.11778	0.3
185.13217	0.5
187.14790	1.5
189.16351	0.4
195.70863	0.4
197.13228	0.7
199.14688	1.2
205.12177	0.5
211.14853	0.4
213.16257	0.7
213.71964	0.3
217.12035	0.4
219.13684	0.3
231.13803	1.5
243.13686	0.4
257.15311	1.6
279.20990	0.4
293.22568	2.6
321.22067	1.9
339.23129	16.2
357.24026	5.3
375.25180	27.6
501.32224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01865	2.7
55.05504	21.3
57.03427	2.9
58.28122	1.3
59.04988	37.3
61.02914	2.9
64.33473	1.2
65.03950	1.5
67.05463	1.8
69.03410	28.1
69.07058	1.9
71.04981	6.0
71.63507	1.5
74.52965	1.3
79.05477	7.3
81.03397	37.7
81.07045	8.8
83.04967	38.5
83.08625	2.0
85.02885	32.6
91.05448	8.1
93.07053	3.1
95.04947	9.0
95.08598	2.2
97.02872	51.0
99.04407	3.5
100.11222	2.6
101.05992	23.0
103.05460	3.0
105.07012	9.1
107.04935	18.2
107.08550	2.9
109.02841	14.2
109.06532	1.8
109.10132	2.5
111.04456	2.7
115.03919	1.4
115.05441	12.8
117.06992	26.1
119.07041	3.6
119.08566	2.1
121.06501	1.8
121.10137	2.2
123.04398	8.1
124.05183	3.5
125.05960	1.9
127.03882	17.2
129.07001	7.1
131.08553	8.4
132.05659	2.0
133.06503	2.8
133.10042	1.6
137.05920	5.5
137.09569	2.0
141.06949	1.8
143.08580	2.1
144.05722	3.1
145.02823	6.0
145.05035	11.6
145.06464	63.0
147.08037	2.9
152.04633	3.1
155.06024	3.5
156.05695	13.5
157.06429	2.3
159.07970	10.5
161.05931	10.9
163.03954	2.4
167.07002	100.0
173.05956	81.0
175.07532	3.6
177.05478	7.2
181.04956	5.8
181.08504	2.0
182.15411	1.7
184.05164	2.6
187.06039	3.3
187.07533	9.4
190.06207	45.4
193.04887	2.8
193.08630	2.4
202.06235	6.5
203.06952	11.7
205.08559	80.9
207.06549	2.1
207.66750	1.6
217.08557	52.9
219.08105	2.9
219.10228	7.5
227.08885	1.8
235.07553	2.4
235.09637	22.0
245.10220	10.4
247.07425	2.0
247.09666	8.3
248.08235	2.0
250.92215	1.7
261.08997	1.7
263.10852	1.6
264.07941	2.1
265.08340	1.7
265.10666	19.4
269.08020	2.3
271.09613	3.3
276.07730	2.3
279.09976	2.1
291.10117	3.1
293.08066	1.4
299.49887	1.6
307.09344	2.1
315.08597	9.4
330.10950	11.3
331.11865	2.1
339.11734	1.8
343.11774	1.7
350.12131	1.7
351.12439	2.6
355.11676	1.9
383.14862	17.3
385.16180	5.5
401.15884	12.9
411.14096	2.8
461.18576	1.8
535.37750	1.6
681.51379	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	680.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.3
53.03942	2.3
55.05508	15.7
57.03417	11.2
57.07061	3.9
61.02915	46.9
67.05145	3.4
67.05492	93.0
69.03412	6.8
69.07056	16.8
73.02907	16.6
73.26318	1.8
79.05477	57.2
80.00697	1.3
81.03403	2.1
81.07039	98.1
83.08587	9.4
83.15417	1.6
85.02892	42.6
85.06512	2.6
85.66635	1.5
87.13471	1.5
91.03929	32.9
91.05464	31.8
93.07026	73.8
94.51000	1.7
95.04957	3.9
95.08587	100.0
97.02887	18.7
97.06513	3.6
97.10119	2.5
99.04442	2.3
99.08051	1.7
101.14366	1.7
105.07013	28.5
107.08573	58.3
109.06484	3.6
109.09469	2.9
109.10143	43.0
111.08047	3.0
111.90536	1.4
112.03038	1.6
117.06994	10.3
119.08571	26.5
121.10123	53.6
123.11665	15.2
127.03894	8.5
129.80492	1.6
131.08557	26.1
133.10117	15.4
135.11691	35.9
137.13222	2.6
145.04951	10.8
145.10083	22.2
147.11691	16.3
149.13228	25.0
151.11156	2.4
153.12607	2.2
159.11681	22.3
161.13191	7.2
163.06004	12.2
163.14757	10.0
173.13287	14.6
187.14793	3.9
201.16327	3.9
229.19470	34.5
247.20540	80.9
263.19955	1.9
284.20355	1.6
321.24188	25.1
339.21234	2.9
339.25238	56.7
483.29382	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	680.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.7
53.03943	1.6
55.01868	1.6
57.03430	11.0
59.04985	1.3
59.39114	0.6
61.02914	8.7
69.03418	32.5
69.07053	8.2
70.06602	0.8
71.04976	1.7
73.02896	7.6
75.04472	1.8
75.28917	0.9
77.90097	0.9
81.03386	6.8
85.02892	100.0
87.04449	21.2
87.08112	4.0
91.03959	4.2
92.08681	0.8
92.36864	0.7
93.93966	0.8
97.02870	41.3
98.97538	0.9
99.04443	4.1
102.13964	0.8
109.02882	6.3
115.03921	22.7
123.99998	0.8
127.03901	24.1
129.66049	0.7
133.04956	23.1
133.08525	1.2
145.04944	34.9
150.07576	1.6
163.03876	4.0
163.05989	13.0
174.05501	4.6
180.08563	1.0
192.06604	1.1
215.68658	0.7
237.13322	4.5
248.75005	0.8
259.08179	4.3
264.59387	0.8
295.10229	8.4
295.13855	14.5
312.16458	4.4
323.88861	0.8
354.11978	0.9
482.40036	0.9
568.47388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83336	0.3
53.03934	0.6
57.03408	0.3
67.05477	1.8
69.03407	3.6
69.07040	0.5
70.06574	0.3
71.04961	0.7
73.64708	0.3
73.81115	0.3
79.05452	0.4
81.03392	4.7
85.02897	3.0
85.06538	0.5
87.04432	0.4
89.03915	2.5
89.67905	0.3
95.04955	3.6
95.08563	0.4
97.02843	0.6
97.06487	0.6
99.04398	0.5
103.05415	0.4
105.07004	0.6
107.08556	0.3
109.02858	2.0
109.06528	0.3
109.75989	0.3
113.05959	1.6
117.03357	13.2
119.08569	0.5
127.03889	1.2
132.10983	0.3
133.06476	0.7
134.03645	0.5
135.04367	1.6
137.05957	1.3
145.02823	59.9
146.03195	0.5
149.05963	5.8
151.03818	0.4
158.10464	0.3
161.05928	0.4
163.03867	1.9
167.06914	0.6
177.05426	100.0
178.05792	0.6
181.04936	0.7
195.06433	2.3
204.33929	0.3
207.06297	0.4
289.10529	0.4
321.09601	4.2
339.10678	10.2
370.17953	0.3
403.99286	0.4
457.16946	0.3
501.15555	0.4
700.57465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01875	0.3
55.05506	0.8
57.03433	1.2
59.04995	0.4
60.04489	0.2
61.02912	0.4
63.02354	0.3
67.05499	1.2
69.03417	5.9
69.03799	0.2
69.07066	1.4
71.04967	0.9
73.02933	0.3
75.04460	0.2
79.05479	0.8
81.03401	4.6
81.07057	0.3
83.04964	1.1
83.08610	0.2
85.02892	4.7
85.06509	0.7
87.04460	1.6
88.02883	0.2
89.03886	2.6
91.05465	1.1
93.07027	0.5
93.90139	0.2
95.01259	0.2
95.04957	2.9
95.08593	1.3
97.02865	3.9
97.06502	0.9
99.04418	0.8
103.05457	0.3
105.07024	2.6
105.07675	0.3
106.10995	0.2
107.04909	0.2
107.08574	1.0
109.02877	2.0
109.06484	0.3
109.10143	0.5
111.04386	0.3
113.05984	1.9
115.03922	2.1
115.05393	0.3
117.03358	12.6
119.04935	0.4
119.08574	3.1
121.02876	0.2
121.06492	0.3
121.10109	1.5
122.03638	0.4
123.08041	0.4
124.51701	0.2
125.05991	0.3
127.03880	1.2
133.04945	1.9
133.06465	1.4
133.09193	0.2
133.10115	3.5
134.03606	0.8
135.04382	1.6
135.07990	0.4
137.05960	5.2
137.09572	0.3
138.06287	1.4
145.02827	58.3
145.10091	0.3
146.03259	0.3
147.04353	1.5
147.08040	0.2
147.11674	1.6
149.05957	6.2
150.07626	0.4
151.03857	0.3
153.05447	0.4
159.11760	0.3
161.05927	2.0
161.13210	0.5
162.03166	0.3
162.98853	0.2
163.03856	1.7
163.07561	0.3
167.07004	1.0
173.13216	0.4
175.14795	4.4
176.15585	0.4
177.05435	100.0
178.05791	1.1
179.06906	0.3
181.04942	2.6
186.05467	0.2
187.92287	0.2
193.08501	1.0
193.15933	0.3
195.06474	1.5
215.05510	0.4
229.06946	0.5
271.11667	0.8
297.11090	0.2
321.09659	3.2
339.10684	8.0
351.17957	4.4
520.36230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24273	0.3
56.28943	0.3
61.25662	0.3
67.05508	0.6
69.03416	0.6
71.04971	0.5
77.00903	1.9
79.05471	0.5
81.07022	1.0
85.02888	0.4
92.60394	0.4
95.01942	0.6
95.04950	0.8
105.06986	0.5
113.06000	2.7
159.11722	0.6
185.06642	1.5
201.09793	0.5
213.09612	0.4
215.11314	3.8
227.11264	0.6
233.12415	2.0
238.12933	0.4
239.11470	0.5
241.12894	1.6
243.14297	2.9
253.12830	4.3
257.12421	0.6
271.13824	5.4
315.17972	0.6
333.18997	4.6
338.13330	0.5
342.93668	0.5
351.21347	100.0
352.21652	0.8
369.21249	3.3
543.35956	0.5
679.43127	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	679.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.9
53.03920	1.0
55.01862	1.0
55.05503	25.0
57.03423	10.6
57.07076	8.3
61.02912	18.8
65.03908	0.9
67.05492	88.5
69.03410	1.9
69.06711	1.4
69.07057	27.8
69.79547	0.9
71.04973	1.3
71.08595	3.9
73.02901	7.0
79.05049	1.4
79.05473	26.3
81.07039	100.0
83.04972	1.8
83.08601	23.3
85.02884	20.0
85.06519	1.5
85.10175	1.5
86.97893	0.8
91.03934	18.8
91.05473	16.7
93.07029	26.2
95.04959	1.5
95.08585	85.0
97.02872	8.5
97.06512	7.4
97.10146	10.7
99.08064	2.0
105.07018	14.3
107.08575	17.7
109.10141	40.5
111.08068	4.2
111.11711	1.4
113.09686	1.2
115.03916	1.1
119.08549	15.3
121.10120	24.3
123.07990	0.9
123.11679	14.0
125.04324	0.8
125.09612	1.1
127.03878	5.4
131.08546	1.0
133.10101	18.0
135.11670	11.9
137.13229	7.1
139.11089	1.0
141.12733	1.1
145.04944	4.2
147.11641	9.8
149.13231	8.3
151.14795	5.1
161.13203	12.0
163.05984	4.7
163.14799	8.1
165.12668	1.2
165.16379	5.2
175.14767	9.1
177.16382	1.3
179.17923	3.5
189.16365	3.8
193.15868	1.2
203.17929	1.5
207.17462	1.1
245.22589	39.4
251.50616	0.8
263.23636	57.2
265.25394	0.9
337.27277	43.1
346.42886	0.9
355.28400	6.8
371.56000	0.9
481.30869	1.0
499.32336	5.7
527.30603	0.9
652.68188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.6
53.03933	0.9
55.01865	1.1
55.05497	0.7
57.03432	6.1
57.06836	0.4
57.07069	6.2
59.04991	5.1
61.02903	2.7
62.36771	0.4
65.03893	1.5
67.05495	28.3
69.03418	24.6
69.07037	1.9
71.04604	0.8
71.04978	19.9
79.05475	5.4
81.03402	2.7
81.07037	8.0
83.04967	2.8
83.08571	0.5
85.02893	19.7
85.06528	22.0
87.04474	3.5
91.05460	4.0
92.09341	1.0
93.07027	7.3
95.04949	38.6
95.08569	4.2
97.02877	4.7
97.06506	8.9
99.04401	0.9
101.05963	0.4
105.07015	5.9
106.75928	0.4
107.08575	6.1
108.57038	0.4
109.02887	1.7
109.06508	1.9
109.10142	2.2
111.04397	0.6
113.05990	100.0
116.97281	0.4
117.07033	0.8
119.08553	4.6
121.10112	5.0
123.11669	0.4
125.05981	10.3
127.03880	4.2
129.07028	0.7
131.05014	0.4
131.08531	4.1
133.06392	0.4
133.10104	4.6
135.08049	0.5
135.11697	2.6
136.73981	0.4
137.05933	0.9
139.03856	0.9
143.08560	1.9
145.04938	3.5
145.08597	12.0
145.10033	5.3
147.07983	0.5
147.11647	4.5
149.13239	1.0
153.05444	10.1
155.07042	5.6
155.08371	0.7
157.10081	2.5
159.11679	7.9
161.09641	0.6
161.13237	2.7
163.06133	0.5
163.07541	0.5
169.10133	1.0
171.08270	0.4
171.11678	2.6
173.13293	1.0
175.14793	4.5
181.10086	0.8
183.11655	2.3
185.13234	2.5
187.14850	1.9
189.12798	0.5
195.11647	0.6
197.13184	1.8
199.14835	2.3
201.12880	0.6
201.16354	7.4
209.13319	1.8
211.14854	0.8
213.16357	0.7
215.17979	1.0
217.12242	0.8
221.13203	0.6
227.17928	0.5
229.12138	0.9
235.14944	0.8
237.16431	0.6
241.12366	0.5
243.13908	0.7
249.16437	0.6
251.17940	0.6
253.19366	0.7
257.10129	0.7
263.13995	0.7
277.19406	0.7
291.21069	2.9
309.22061	2.4
315.24347	0.5
319.20483	2.3
337.21582	11.7
355.22610	25.2
373.23669	50.7
396.19400	0.5
408.46323	0.5
517.31512	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	678.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38611	0.2
51.18941	0.2
51.56787	0.2
53.00315	0.3
55.05510	0.4
57.03427	3.7
57.07064	5.2
59.04991	7.9
63.54606	0.2
65.03918	1.5
67.05494	26.9
69.03415	22.9
69.07057	0.3
71.04975	17.8
73.06535	0.5
75.04479	0.4
79.05478	1.2
81.07034	2.0
83.04973	2.2
85.06530	20.5
87.04447	4.1
91.05481	0.5
93.07037	1.5
95.04949	41.0
95.08584	1.4
97.06511	1.6
101.06006	0.6
105.07005	1.7
107.08575	1.0
109.06482	0.4
113.05989	100.0
114.06342	0.4
119.08530	1.1
121.06583	0.3
121.10130	1.4
124.16096	0.3
125.05952	2.8
130.08611	1.1
131.08572	1.2
133.10135	1.2
135.11722	0.5
139.03874	0.3
145.08578	27.4
145.10040	1.1
147.11671	1.3
153.05452	3.4
155.07036	1.3
157.10117	0.6
159.11681	1.6
161.13219	0.5
162.11195	3.0
169.10126	0.5
173.13196	0.3
175.14792	1.3
185.13193	0.4
187.14832	0.4
189.09018	0.4
189.16382	0.5
197.13268	0.4
199.14771	0.3
201.16367	2.1
211.14822	0.3
213.16455	0.4
243.13916	0.3
277.19690	0.5
291.21048	0.4
309.21945	0.4
319.20392	0.6
337.21536	4.2
355.22632	7.9
373.23669	26.9
374.24203	0.4
517.31427	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05502	0.3
57.03428	3.2
57.06806	0.3
57.07066	5.4
59.04989	11.5
63.34449	0.2
65.03922	1.3
65.41753	0.2
66.69217	0.2
67.05490	24.7
67.76941	0.2
69.03416	15.3
69.07049	0.4
71.04975	17.3
73.06538	0.8
75.04465	0.7
79.05476	1.0
81.07040	0.5
83.04958	2.7
83.08587	0.2
85.02896	0.9
85.06528	21.0
87.04449	6.4
91.05467	0.2
93.07013	0.9
95.04945	41.8
95.08566	0.3
96.05301	0.2
97.06501	4.0
99.08067	0.3
101.05994	1.3
101.23544	0.2
105.07001	0.8
105.93793	0.2
107.08566	1.0
109.06443	0.2
111.04431	2.9
112.07617	0.3
113.05988	100.0
114.06305	0.4
119.08558	0.4
121.10099	0.4
127.07560	0.4
130.08623	0.8
131.08571	0.3
133.10138	0.4
135.08105	0.3
139.25357	0.2
143.08516	0.2
145.08577	32.0
146.87283	0.2
147.11690	0.4
157.10066	0.2
159.11664	0.4
162.11241	2.9
173.13203	0.2
175.14777	1.5
204.71579	0.2
212.42232	0.2
271.53149	0.2
337.21408	0.3
347.66757	0.2
355.22546	1.1
373.23645	32.6
374.23944	0.4
440.50342	0.2
445.38968	0.3
508.15894	0.2
640.23358	0.2
661.55231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64148	0.8
53.00284	1.2
53.03925	4.7
54.56266	0.8
55.01873	1.2
55.05500	19.0
57.03431	7.3
57.07053	6.7
59.92109	0.8
61.02911	37.3
65.03917	2.0
67.05490	91.2
69.03403	5.4
69.07049	19.1
71.04968	2.2
71.08594	1.6
73.02892	16.0
75.04446	1.5
79.05468	61.4
81.03394	4.1
81.07034	100.0
82.17477	1.0
83.04944	3.8
83.08600	11.8
85.02885	43.3
85.06519	2.0
88.23876	0.9
91.03928	35.3
91.05460	32.5
93.07019	85.2
95.04914	4.7
95.08577	85.6
97.02865	16.7
97.06507	6.5
97.10159	1.7
99.04402	1.8
99.08051	1.5
103.03902	1.1
105.06361	1.4
105.07020	31.1
105.07721	1.2
107.08569	56.7
109.10143	33.1
111.07997	1.4
115.03858	1.3
117.06989	12.1
119.08552	21.7
121.10112	45.8
123.08023	1.5
123.11701	16.5
127.03877	8.8
129.06990	1.3
130.07747	1.1
131.08536	31.8
133.09174	1.4
133.10101	17.7
135.11664	35.6
137.09491	1.3
137.13229	5.0
139.11176	1.2
145.04929	11.6
145.10110	21.3
147.11661	15.0
149.12108	1.9
149.13225	25.5
151.11043	1.3
151.14893	1.3
158.71935	0.9
159.11670	18.0
161.13240	12.5
163.05981	12.9
163.11171	1.2
163.14812	11.4
168.29330	1.0
173.13240	17.8
175.14807	4.5
177.12654	1.2
177.16296	7.0
179.14328	1.5
187.14758	9.3
191.14294	1.6
193.80299	1.1
201.16391	4.4
233.22604	2.3
243.21040	27.6
261.22067	85.1
311.81116	1.1
335.25797	18.1
353.26782	36.7
402.65390	1.0
445.95932	1.2
497.30698	4.5
498.73270	1.1
527.46783	1.2
547.02252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01858	1.1
55.05505	16.1
57.03428	8.1
57.07053	3.3
61.02911	22.5
65.03913	1.4
67.05489	94.5
69.03402	4.0
69.07052	18.3
71.04961	2.9
71.08614	0.9
73.02894	8.1
75.04416	0.7
79.05472	56.5
81.03403	1.4
81.07034	100.0
83.08592	8.5
85.02412	1.3
85.02888	22.8
85.06509	3.4
90.16270	0.6
91.03928	18.6
91.05453	27.0
93.07020	71.0
95.04943	3.8
95.08582	77.9
97.02889	9.9
97.06509	4.0
97.10135	1.8
99.08062	1.3
103.03927	0.8
105.07014	23.2
107.08576	40.3
107.64723	0.7
108.09538	0.7
109.06498	1.5
109.10138	33.5
111.08060	3.1
114.44734	0.7
115.03947	0.8
117.07004	11.8
119.08553	17.2
121.10117	39.1
123.08031	1.6
123.11662	14.8
125.09578	1.1
127.03878	3.1
131.08542	21.6
133.10100	15.4
135.11670	28.0
137.09604	1.0
137.13208	5.8
139.11128	1.0
145.04971	7.1
145.10097	16.9
147.11664	11.0
149.13240	19.3
151.11189	0.9
151.14873	1.0
159.11668	11.8
161.13248	8.6
163.06042	7.5
163.14789	12.4
165.12648	1.3
173.13205	14.8
175.14787	3.1
177.12746	1.0
177.16331	4.6
177.32138	0.8
179.14281	1.1
187.14792	7.3
201.16325	3.1
205.15840	1.0
221.14958	0.8
233.22592	1.3
243.21034	24.1
261.22064	66.4
279.23077	4.1
335.25735	24.4
338.46692	0.8
353.26785	27.1
497.30954	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	676.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47850	0.1
53.06395	0.1
55.01862	0.4
55.05511	0.2
57.03430	3.3
57.07066	4.8
59.04990	11.5
65.03934	1.3
67.05492	26.3
69.03414	15.2
69.03797	0.4
69.07023	0.2
71.04975	16.4
73.06533	0.8
75.04476	0.4
79.05467	1.4
79.18033	0.2
81.07039	0.8
83.04968	2.3
85.06525	20.3
87.03931	0.3
87.04447	6.7
91.05453	1.2
93.07037	0.8
95.04945	43.1
95.08585	0.3
97.06507	4.2
99.08081	0.2
101.05985	1.8
105.07008	0.9
107.04953	0.4
107.08571	1.4
112.07622	0.4
113.05986	100.0
114.06350	0.3
117.06970	0.3
119.08567	1.1
125.08166	0.2
127.07535	1.0
129.06982	0.2
130.08604	0.8
131.08549	1.3
133.10110	0.8
143.08546	0.2
145.08574	30.7
147.07983	0.3
147.11693	0.8
152.44682	0.2
157.10143	0.2
159.11688	0.3
161.13249	0.2
162.11209	2.5
163.07594	0.3
175.07509	4.4
175.14772	3.5
177.09018	0.3
179.06995	0.2
189.09167	0.3
195.11758	0.2
303.28452	0.2
335.19931	0.3
353.20999	2.2
371.22073	32.2
372.22415	0.4
388.30469	0.2
639.71802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02761	0.4
53.00283	0.4
57.03428	3.3
57.07065	9.2
57.18346	0.5
59.04984	7.5
64.33022	0.7
65.03921	0.8
66.45407	0.5
67.05491	31.2
69.03413	42.5
69.07053	1.0
71.04973	30.2
73.06535	1.3
79.05457	2.5
81.07037	1.1
83.04975	2.2
85.06525	35.9
85.37587	0.7
87.04469	1.3
91.05459	0.5
93.07024	0.7
95.04940	29.1
95.08604	0.6
97.06512	7.0
99.08051	0.6
105.07036	0.7
107.08581	0.6
109.06528	0.5
111.04379	0.6
113.05987	100.0
127.07520	0.9
130.08586	0.7
145.08575	38.0
162.11273	1.3
175.14836	0.9
353.21225	0.9
371.22040	6.2
391.06485	0.6
462.28458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01853	3.5
55.05497	4.0
57.03429	6.2
59.04975	0.7
61.02912	9.5
67.05486	10.3
69.03414	24.2
69.07059	4.8
71.04973	2.8
73.02885	3.0
79.05474	11.5
79.05905	1.0
81.03391	9.5
81.07037	30.7
82.07349	0.6
83.08609	4.4
83.24777	0.6
84.04440	0.6
85.02888	99.7
85.06551	0.6
86.03193	1.0
86.10957	0.6
87.04449	3.3
89.03929	0.6
91.03933	5.0
91.05448	12.2
93.07017	36.5
95.04939	2.7
95.08579	20.7
97.02875	25.1
97.06496	0.9
97.10139	1.0
99.04422	4.2
105.07011	25.6
107.08568	28.9
108.20458	0.7
109.02862	10.0
109.06519	1.0
109.10135	17.0
115.03883	0.9
117.03363	5.0
117.06986	7.5
119.04886	0.6
119.08557	19.7
121.10110	16.8
123.11674	3.6
127.03894	18.7
129.06996	4.2
130.07761	0.7
131.08542	19.7
133.10101	23.8
135.08032	2.7
135.11650	11.2
137.05943	9.8
137.09558	0.9
137.13225	1.4
141.06956	1.1
142.07707	1.2
142.08687	0.8
143.08536	10.4
144.09282	1.4
145.02829	12.2
145.04930	23.8
145.10095	37.1
147.04341	0.9
147.11659	28.9
149.05968	1.4
149.09619	1.1
149.13226	24.2
155.08524	3.2
156.09367	1.1
157.10101	15.9
159.11659	47.1
161.13217	32.9
163.03909	0.8
163.05975	9.3
163.07356	0.9
163.11098	1.5
163.14781	1.0
167.06985	1.1
168.09329	0.8
169.10075	4.3
170.74028	0.6
171.11670	17.4
173.13232	22.5
175.11101	1.1
175.14729	5.6
177.05432	23.1
181.09991	0.9
183.11583	5.8
185.13202	12.8
187.14771	6.3
189.12685	0.8
197.13234	4.8
199.14781	14.2
201.16273	2.4
203.14287	0.9
210.13939	0.8
211.14812	9.5
213.16385	8.6
215.17888	1.4
217.15765	1.0
225.16312	9.2
226.17058	0.8
227.17903	3.8
228.29608	0.7
237.16371	1.0
238.17009	0.8
239.17867	5.5
241.19560	1.0
251.17807	0.7
252.18616	0.9
253.19514	2.5
255.21014	100.0
281.22583	80.0
281.25815	1.3
298.22461	0.7
299.23605	49.3
317.24664	28.2
325.11249	3.4
339.10635	1.0
367.22614	0.8
461.29050	0.9
634.08832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01853	3.5
55.05497	4.0
57.03429	6.2
59.04975	0.7
61.02912	9.5
67.05486	10.3
69.03414	24.2
69.07059	4.8
71.04973	2.8
73.02885	3.0
79.05474	11.5
79.05905	1.0
81.03391	9.5
81.07037	30.7
82.07349	0.6
83.08609	4.4
83.24777	0.6
84.04440	0.6
85.02888	99.7
85.06551	0.6
86.03193	1.0
86.10957	0.6
87.04449	3.3
89.03929	0.6
91.03933	5.0
91.05448	12.2
93.07017	36.5
95.04939	2.7
95.08579	20.7
97.02875	25.1
97.06496	0.9
97.10139	1.0
99.04422	4.2
105.07011	25.6
107.08568	28.9
108.20458	0.7
109.02862	10.0
109.06519	1.0
109.10135	17.0
115.03883	0.9
117.03363	5.0
117.06986	7.5
119.04886	0.6
119.08557	19.7
121.10110	16.8
123.11674	3.6
127.03894	18.7
129.06996	4.2
130.07761	0.7
131.08542	19.7
133.10101	23.8
135.08032	2.7
135.11650	11.2
137.05943	9.8
137.09558	0.9
137.13225	1.4
141.06956	1.1
142.07707	1.2
142.08687	0.8
143.08536	10.4
144.09282	1.4
145.02829	12.2
145.04930	23.8
145.10095	37.1
147.04341	0.9
147.11659	28.9
149.05968	1.4
149.09619	1.1
149.13226	24.2
155.08524	3.2
156.09367	1.1
157.10101	15.9
159.11659	47.1
161.13217	32.9
163.03909	0.8
163.05975	9.3
163.07356	0.9
163.11098	1.5
163.14781	1.0
167.06985	1.1
168.09329	0.8
169.10075	4.3
170.74028	0.6
171.11670	17.4
173.13232	22.5
175.11101	1.1
175.14729	5.6
177.05432	23.1
181.09991	0.9
183.11583	5.8
185.13202	12.8
187.14771	6.3
189.12685	0.8
197.13234	4.8
199.14781	14.2
201.16273	2.4
203.14287	0.9
210.13939	0.8
211.14812	9.5
213.16385	8.6
215.17888	1.4
217.15765	1.0
225.16312	9.2
226.17058	0.8
227.17903	3.8
228.29608	0.7
237.16371	1.0
238.17009	0.8
239.17867	5.5
241.19560	1.0
251.17807	0.7
252.18616	0.9
253.19514	2.5
255.21014	100.0
281.22583	80.0
281.25815	1.3
298.22461	0.7
299.23605	49.3
317.24664	28.2
325.11249	3.4
339.10635	1.0
367.22614	0.8
461.29050	0.9
634.08832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
53.83553	0.4
55.01856	2.4
55.05495	2.2
57.03434	6.0
57.26693	0.4
61.02687	0.5
61.02922	7.8
67.05482	3.0
69.03065	0.8
69.03413	18.4
69.07043	2.0
70.06561	0.5
71.01315	0.6
71.04980	3.0
71.53303	0.5
73.02889	2.9
79.05473	6.2
81.03396	6.7
81.07029	8.8
83.01307	0.7
83.04959	0.9
83.08591	2.4
85.02885	100.0
85.06525	11.7
86.03216	0.5
87.04441	2.6
91.03920	3.2
91.05443	4.7
93.07022	8.2
95.04945	0.7
95.08578	11.4
97.02862	25.7
97.06499	0.6
97.10196	0.6
99.04424	4.4
101.02360	0.5
103.03955	0.6
105.07004	8.6
105.07632	0.6
107.08582	13.7
109.02852	10.6
109.10133	6.1
111.08025	0.7
113.09595	0.8
115.03912	0.9
117.03378	1.2
117.06992	2.5
119.08553	9.3
121.10119	8.2
123.08015	0.5
123.11674	2.2
123.27171	0.5
127.03882	19.4
129.06996	1.1
131.08530	9.0
133.10089	9.7
135.11646	6.3
136.20282	0.6
137.05991	0.7
137.09557	2.5
142.07751	0.4
143.08488	4.4
145.02933	4.1
145.04930	26.1
145.10110	14.5
147.04395	0.7
147.11646	11.6
148.04733	0.6
149.13255	4.7
151.11172	2.4
155.08479	0.5
156.09276	0.6
157.10094	5.9
159.11650	14.0
160.12082	0.5
161.13214	11.5
161.77228	0.5
163.05972	12.6
163.11194	2.5
163.14867	0.6
165.09123	3.1
165.12733	3.1
167.07101	0.6
169.10143	2.1
171.11642	5.3
173.13220	7.3
175.14774	4.4
177.05446	7.6
177.12727	0.8
177.16420	1.0
178.05736	0.5
179.14307	0.7
180.61377	0.5
183.11612	1.9
185.13177	5.5
187.14771	6.9
189.12711	3.0
191.14253	0.8
193.15811	0.6
197.13200	4.6
199.14793	6.8
201.16365	2.0
203.14291	0.5
205.15871	2.2
211.14766	5.6
213.16356	1.1
215.17920	1.0
217.15823	0.9
221.02361	0.5
225.16309	6.0
239.17947	2.4
241.19508	2.7
243.17473	0.6
246.57506	0.6
253.19484	8.4
255.21104	3.5
271.08304	0.7
271.20499	9.9
281.19470	1.2
281.22562	39.1
281.59293	0.6
289.09094	1.0
297.22046	0.7
298.22540	1.0
299.23618	59.2
316.23160	0.7
317.24673	64.6
318.24829	0.8
325.11157	4.8
335.25797	1.0
362.34775	0.5
461.28546	0.7
479.29999	5.5
479.47940	0.5
676.35767	0.9
677.36658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30132	0.3
53.03928	1.8
55.01853	0.9
55.05502	9.9
57.03427	5.9
57.07052	0.9
59.04994	6.7
61.02903	1.8
64.54566	0.3
67.05481	5.7
69.03419	8.0
69.07043	2.0
71.01321	0.9
71.04977	6.0
73.02899	1.0
73.06532	0.7
75.04455	0.9
76.04118	0.4
77.06013	1.9
78.50596	0.4
79.05460	4.4
81.03423	3.0
81.07038	9.4
83.04963	26.5
83.08614	2.8
84.04500	1.8
85.02888	62.1
85.06528	38.5
85.87663	0.4
87.04448	100.0
89.06006	0.7
89.55056	0.4
91.05464	3.8
93.07021	9.6
95.04965	1.8
95.08573	9.0
97.02875	6.4
97.06515	2.1
97.10133	0.6
99.04433	8.4
101.06020	0.7
101.65195	0.4
102.05498	2.0
102.88106	0.4
103.03899	0.4
105.07022	7.2
107.08565	8.9
109.02861	2.5
109.10149	6.3
111.03648	0.7
111.04421	21.9
111.08060	1.0
113.05978	0.9
115.07538	7.6
117.03365	0.6
117.05476	2.0
117.06985	1.6
119.04910	0.6
119.08551	6.2
121.06455	1.9
121.10111	7.6
122.92119	0.4
123.11694	1.8
125.05988	0.4
127.03892	4.7
129.05453	15.4
131.08511	3.4
133.10117	5.6
135.11662	9.5
137.05974	0.9
137.09616	2.2
139.07520	1.8
143.07013	12.5
143.08234	0.7
143.08612	0.8
145.02817	2.7
145.04930	3.0
145.06287	0.4
145.10088	7.3
147.11659	9.9
149.06001	0.7
149.13269	3.6
151.07628	0.4
151.11177	0.9
153.09108	0.4
157.10104	2.1
159.11670	5.3
161.05899	0.5
161.08076	1.7
161.13205	11.4
163.06160	0.5
163.11140	2.6
163.14792	0.6
165.09087	5.7
166.09389	0.7
167.07040	0.8
168.78928	0.4
171.11678	0.9
173.09619	0.9
173.13213	5.2
175.11226	0.5
175.14790	2.3
177.05452	2.9
181.04970	0.5
183.11737	1.8
185.13283	1.7
187.14839	0.9
188.90198	0.4
189.12654	0.5
191.10658	2.5
193.12267	0.6
199.05838	0.5
199.14841	2.6
199.49869	0.4
201.12709	1.9
205.12083	1.2
209.13211	1.0
211.14842	0.5
213.16258	0.7
219.13760	3.8
219.65097	0.6
233.15228	0.5
237.02734	0.5
237.07538	3.7
237.16312	0.4
245.15279	1.5
255.08583	3.1
255.18361	0.5
255.21014	17.0
265.19449	4.8
273.09567	5.0
273.22134	2.6
281.22693	0.9
283.20532	9.1
297.22150	0.6
299.23621	2.3
301.21564	57.4
302.21957	0.5
316.23489	0.6
317.24658	2.9
319.22632	12.5
323.13474	0.6
335.25922	0.8
347.22217	0.7
420.28848	2.4
438.29965	1.7
443.27417	0.6
461.28876	3.3
479.29715	0.9
480.30978	2.2
498.31824	6.6
579.61414	0.4
640.78186	0.5
658.39301	2.6
676.40588	9.6
677.38190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01841	1.1
55.05505	34.2
57.03430	5.6
59.04988	35.1
60.77341	0.6
61.02895	4.5
64.82311	0.7
67.05481	5.0
69.03412	34.5
69.07043	3.9
70.06547	1.2
70.81985	0.6
71.04975	5.5
73.02898	1.7
79.05469	3.4
81.03392	23.6
81.07048	8.3
83.04961	100.0
83.08620	1.1
85.02887	57.5
86.09695	1.4
87.04441	5.0
91.03950	1.0
91.05441	3.0
92.08867	4.5
93.07030	6.4
95.04915	4.3
95.08578	5.2
97.02864	55.2
97.06504	1.6
97.10133	1.8
99.04418	10.2
101.05320	1.1
101.05989	31.9
103.03917	1.5
105.07005	5.2
107.08561	5.2
109.02853	23.2
109.06493	1.7
109.10141	5.0
110.43970	0.7
111.04393	1.9
113.05959	1.2
115.03899	3.8
117.06951	0.9
119.04906	1.1
119.07033	11.6
119.08541	1.5
121.06464	1.2
121.10131	3.2
125.05972	3.7
125.09634	1.2
127.02950	1.6
127.03886	38.6
131.08499	4.1
132.76334	0.9
133.04926	1.3
133.10068	1.8
135.04382	1.1
135.11653	1.7
137.02309	1.2
137.05930	3.8
137.09601	1.4
143.08595	1.2
145.02824	3.5
145.04936	28.3
145.06146	1.5
145.10072	5.4
146.05991	1.4
147.04381	1.9
147.11641	4.3
151.07556	0.9
155.07050	0.9
157.10103	3.8
159.11638	4.9
161.13223	1.6
163.03773	1.3
163.07468	1.1
165.09074	1.3
167.07025	6.3
169.04871	1.2
171.11684	1.3
173.13225	1.1
177.05457	5.9
179.06996	1.0
187.05994	1.9
191.06995	1.3
193.04935	6.6
195.11792	0.9
197.13181	1.4
207.06465	1.1
209.08118	6.5
219.08249	1.0
227.09108	17.9
245.10135	65.0
255.21025	1.4
263.11169	19.0
278.56287	0.8
281.22559	6.3
298.22437	0.9
299.23685	6.7
333.24020	0.9
351.25183	1.4
352.25656	0.9
371.13184	1.6
389.14270	1.3
407.15320	8.4
425.16391	8.0
486.36414	1.0
675.35016	1.7
676.25446	1.0
676.36169	3.2
708.25177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27541	0.7
55.01860	1.7
55.05500	3.8
57.03390	12.4
57.07069	1.1
59.04993	0.8
59.97557	0.6
61.02911	8.3
67.05493	8.3
69.03420	26.7
69.07034	1.0
70.06548	0.8
71.01295	0.7
71.04965	3.3
73.02888	4.6
74.00687	0.7
79.05476	12.7
81.03400	12.7
81.07034	17.6
83.04954	1.4
83.08616	1.0
85.02891	64.1
85.06538	1.4
87.04449	5.3
91.03950	3.0
91.05457	12.3
93.07028	18.2
95.04952	4.1
95.08592	15.4
97.02875	24.1
97.06474	1.0
99.04431	4.1
105.06345	1.5
105.07016	24.7
107.04916	1.1
107.08578	27.8
108.60659	0.8
109.02867	6.6
109.06503	3.5
109.10139	11.5
111.04407	0.8
111.08031	1.0
115.03907	1.3
115.05392	0.9
117.07010	7.3
119.08559	20.6
121.06480	1.3
121.10123	10.6
123.08032	1.9
123.11688	3.7
127.03902	14.7
129.06979	5.0
131.08543	16.3
132.44931	1.0
133.10107	16.0
135.08035	3.4
135.11684	7.9
137.09573	3.0
141.06956	0.9
142.07773	1.1
143.08569	15.1
145.04971	6.4
145.06384	0.8
145.10100	25.4
147.08038	1.2
147.11674	23.1
149.09570	1.1
149.13228	3.6
150.05516	1.0
151.11151	3.4
155.08537	4.2
156.09259	1.3
157.10129	15.5
158.12764	0.8
159.07980	1.1
159.11658	22.6
161.09615	1.5
161.13232	10.6
163.03831	1.3
163.11183	1.3
167.07025	1.4
169.10059	6.6
171.11641	17.1
173.13194	8.2
175.11140	3.8
175.14798	3.9
177.05420	1.5
179.08334	0.9
183.11688	7.9
185.13274	11.4
187.11197	4.6
187.14761	5.3
189.12718	5.4
189.16467	0.9
191.14340	1.0
195.11594	1.8
197.13231	7.5
199.14812	6.2
201.12772	1.7
203.14342	6.4
203.34863	0.8
209.13188	3.7
211.14786	4.8
213.16364	5.0
215.14255	3.1
223.14806	3.9
225.16385	1.7
227.14194	0.9
237.16364	1.5
239.17860	11.6
249.60374	0.9
251.17845	1.7
253.19398	12.9
255.20885	2.8
257.18896	1.5
267.21042	1.0
269.22635	4.9
271.20441	2.7
279.21017	18.2
285.22092	1.3
297.22095	34.5
315.23083	15.5
333.24149	3.2
459.26923	1.4
477.28448	19.8
495.29459	43.1
513.30505	100.0
557.86682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57351	0.6
53.03931	2.9
55.01860	1.5
55.05495	2.4
57.03427	7.7
58.82671	0.6
59.04979	1.5
59.69865	0.5
61.02905	8.9
61.30298	0.5
67.05490	5.7
69.03411	31.3
69.07050	2.6
70.06538	0.7
71.04966	3.8
71.13187	0.5
73.02886	3.4
76.55907	0.9
79.05463	7.8
81.03391	13.2
81.07036	8.7
83.04964	1.3
83.08594	1.2
85.02885	100.0
85.06494	0.9
87.04446	3.9
91.03931	3.2
91.05458	12.3
92.08933	2.9
93.07009	12.8
95.04949	2.5
95.08582	9.3
97.02255	1.4
97.02867	32.4
97.06509	1.2
97.10149	0.7
98.03185	0.8
99.04430	6.1
103.03875	1.2
105.06997	14.4
107.04900	0.7
107.08569	17.1
109.02849	12.4
109.06476	1.2
109.10151	6.9
111.08099	0.7
115.03943	0.9
117.07009	4.3
119.08554	11.6
121.06473	1.1
121.10101	5.8
127.03887	26.1
129.06976	3.7
131.08543	9.6
133.06465	1.2
133.10083	9.7
135.08061	3.7
135.11684	5.7
137.05936	4.1
137.09549	1.6
141.06937	1.0
142.07695	0.9
143.08531	8.7
145.02887	1.3
145.04938	16.7
145.10103	14.3
147.04395	0.9
147.08040	1.0
147.11668	12.8
149.09563	0.8
149.13242	1.6
151.07454	0.8
151.11160	0.8
155.08524	3.0
156.09338	0.8
157.10104	9.2
159.11659	11.9
161.09654	0.8
161.13216	6.6
163.05998	3.5
163.11160	1.1
167.06998	1.1
169.10075	3.6
171.11618	8.4
173.09570	1.2
173.13213	5.1
175.11098	1.3
175.14799	1.4
177.05444	4.5
177.12711	1.6
181.10034	1.0
183.11667	5.3
185.13208	5.9
187.11130	2.9
187.14784	2.7
189.09021	1.2
189.12660	2.7
192.44398	0.7
195.11729	1.0
197.13251	4.5
198.13867	0.9
199.14806	1.2
201.12715	1.6
203.14282	4.1
209.13217	1.1
211.14697	2.8
213.16399	2.6
215.14180	0.8
223.14845	1.3
237.16351	1.3
239.17931	6.2
251.17883	0.8
253.19476	5.6
255.20995	1.4
257.18900	3.2
269.18939	0.7
269.22559	2.8
271.20511	4.7
279.21008	9.8
285.21994	2.5
287.20004	1.0
287.23575	0.9
297.22025	24.2
315.23111	24.8
333.24164	29.4
345.20447	0.8
351.25204	29.5
495.29260	2.9
513.30371	0.8
626.68604	0.8
639.33435	2.6
675.35602	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	675.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01860	1.7
55.05503	13.1
57.03425	5.6
58.32899	0.8
59.04980	4.9
61.02903	5.0
61.88480	0.9
67.05490	11.9
69.03403	13.4
69.07055	4.8
70.06595	1.4
71.04978	5.9
73.02879	1.1
79.05463	14.1
80.75020	0.9
81.03384	4.2
81.07033	27.5
83.04964	23.5
83.08585	4.4
85.02885	63.7
85.06525	29.4
86.03215	2.5
87.04445	76.8
87.19105	0.9
91.03928	1.8
91.05452	17.7
93.07020	22.7
94.49053	1.1
95.04964	2.5
95.08576	20.1
97.02858	12.7
97.06532	2.2
97.10110	1.2
99.04424	8.8
105.07014	23.9
107.08572	25.3
108.08921	1.1
109.02854	5.6
109.06519	2.1
109.10138	13.2
111.04409	14.8
111.08035	2.3
115.07536	5.4
117.05472	1.0
117.06993	16.6
119.08561	20.3
120.12032	1.0
121.06477	1.3
121.10116	19.8
123.08041	1.5
123.11673	2.4
127.03906	9.4
129.05429	10.0
129.06998	5.3
131.08519	20.2
133.10106	24.5
135.11667	17.9
137.09576	2.3
141.06938	1.3
143.06996	7.9
143.08527	10.2
144.09186	1.0
145.02783	1.8
145.04951	6.2
145.10094	89.2
146.10399	1.1
147.04367	1.5
147.08028	1.6
147.11679	24.4
147.80139	1.1
148.11996	1.5
149.06052	1.1
149.09599	1.3
149.13220	8.9
150.13620	1.1
151.07492	1.7
151.11169	9.5
155.08505	1.7
157.10110	15.1
159.11653	45.8
161.08144	1.2
161.09488	2.3
161.13252	12.8
163.05945	1.9
163.11143	79.8
165.09082	5.2
167.08490	1.5
169.10127	6.9
171.11649	14.0
173.09676	1.2
173.13240	13.8
175.14781	2.0
177.12749	2.2
179.10629	1.5
181.10013	1.1
183.11658	8.2
184.12117	1.2
185.13185	8.5
187.11179	2.2
187.14896	2.3
189.09055	3.9
191.10638	7.5
195.11652	4.3
197.13223	14.9
199.14815	6.5
201.12733	1.9
201.16275	8.0
203.10867	3.3
205.12241	2.5
209.13210	1.7
211.14780	6.5
213.16341	10.4
215.17995	4.9
217.12184	4.3
221.13232	1.4
223.14847	2.4
225.16319	6.4
227.17802	1.9
229.12161	1.3
240.18175	1.1
243.13763	4.2
253.19456	52.3
254.19980	1.3
255.21053	9.5
257.15268	2.2
263.17862	4.7
271.20486	27.3
273.09601	2.1
279.21002	10.6
280.21429	6.0
281.18976	18.9
289.21420	1.4
297.22006	15.8
298.22482	9.3
299.19980	100.0
301.11731	1.4
301.21548	13.8
315.23206	7.3
316.23343	4.6
317.21036	93.2
318.21161	1.5
333.24188	7.5
334.24643	1.6
335.22095	71.6
337.08301	1.1
351.25134	1.7
427.24561	1.8
479.69327	1.1
513.30664	1.7
674.33417	1.5
675.35297	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	675.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73059	0.4
56.96558	23.9
60.75763	0.5
61.98692	0.5
67.05482	2.3
69.03389	1.8
69.07039	0.5
70.00630	0.4
71.04972	0.7
71.95237	0.8
79.05477	0.8
80.35009	0.5
81.07030	3.1
84.96030	0.7
85.06535	0.8
89.22353	0.4
91.05470	1.2
93.07002	2.6
95.04958	3.0
95.08594	1.8
98.97559	77.8
100.99125	0.7
105.07005	2.6
107.08580	2.2
109.10138	1.0
112.99130	0.5
113.05978	3.2
113.19659	0.5
116.98596	100.0
119.08559	1.1
121.10153	0.6
124.99107	0.8
131.08534	2.3
133.10158	0.8
133.60432	0.5
134.99634	70.0
135.11713	0.9
140.00145	1.1
143.00145	14.1
143.08521	0.6
145.10106	1.0
147.11684	0.8
149.01187	0.9
153.00682	15.8
157.01711	2.3
157.10121	0.5
158.01241	1.9
159.11722	0.7
161.01170	17.4
169.01646	4.8
171.03296	0.8
175.02754	3.1
179.02330	2.3
183.11780	0.6
185.01183	8.7
187.02734	7.1
189.04300	1.9
197.01350	0.6
199.02785	0.8
201.04269	1.0
203.02238	14.7
205.03784	1.1
211.02754	2.6
215.17928	1.2
215.37154	0.5
219.05408	1.9
223.02788	0.7
229.03870	5.4
234.07793	0.6
239.05997	0.7
240.03026	3.8
241.03786	13.4
243.01717	2.2
243.05328	4.4
247.04855	2.7
258.04013	0.6
259.04941	4.1
260.29385	0.5
261.03506	1.0
261.06378	8.0
265.17767	0.5
323.15292	1.0
331.87863	0.5
337.21542	0.8
339.15662	0.6
351.14807	0.6
357.17419	3.2
365.16275	7.1
366.17154	2.6
367.19537	2.3
373.16849	0.6
375.18250	3.8
381.17508	1.0
383.17432	6.5
383.28488	0.6
384.17999	0.9
385.20480	1.2
393.17258	1.2
399.18112	1.1
401.15897	4.9
401.21014	0.6
403.21545	2.3
409.16611	0.8
411.18436	5.2
417.19482	1.0
419.17209	1.2
427.17099	0.9
427.21954	2.1
429.19507	7.8
445.22845	1.2
447.20810	2.8
453.19522	2.3
471.20425	11.2
487.19998	0.6
489.21521	15.7
507.22604	3.2
531.22485	3.6
549.23615	13.2
615.28943	1.2
633.29382	2.2
675.30371	84.7
676.30499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	26.6
59.04995	9.8
67.05490	7.4
69.03419	15.7
71.04977	2.3
79.05473	2.1
79.83802	0.8
81.03399	0.9
81.07043	1.8
83.08595	1.2
84.96031	1.1
85.06520	2.1
87.04462	3.9
87.74583	0.8
91.05447	1.9
93.07041	2.0
95.04935	14.5
95.08595	1.7
98.97557	61.2
100.99162	1.4
105.07028	1.9
107.08593	1.9
109.10159	1.0
113.05991	10.0
116.98593	75.2
119.00189	1.2
119.08508	1.3
121.10101	1.4
124.99113	1.7
127.07484	1.0
131.08586	1.2
133.10126	1.7
134.99626	52.6
143.00137	20.7
145.08513	1.2
145.10143	2.1
147.11641	1.9
148.00400	2.2
153.00687	12.0
158.01128	1.1
159.11682	1.3
161.01176	25.9
169.01775	4.2
179.02271	4.5
183.45258	0.9
185.01248	5.3
187.02756	9.6
203.02296	7.4
229.03868	4.1
240.03145	1.7
241.03835	4.7
243.05391	4.8
261.06427	5.2
327.16367	1.1
353.13623	1.1
365.17294	1.5
367.19464	5.7
381.17432	3.6
383.18909	4.0
385.20441	5.6
393.17188	4.7
399.18475	1.2
403.21658	2.2
407.11157	1.1
411.18292	7.5
417.19498	1.5
427.17868	5.5
429.19354	12.4
429.52670	1.1
445.18396	1.6
447.20493	8.6
453.19180	2.1
471.20447	14.3
489.21536	14.7
507.22757	5.2
531.22534	4.1
549.23651	17.2
615.28082	15.8
675.30341	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	674.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88184	2.4
55.05487	11.2
57.07067	43.0
59.39457	2.3
62.96487	2.3
66.65833	2.2
71.08607	23.7
73.06524	5.7
79.05466	5.9
81.07007	4.0
83.08595	2.8
85.10152	18.7
87.04443	6.7
89.06015	100.0
90.45186	2.8
92.08861	12.5
93.06996	5.0
95.08629	3.5
97.10156	5.6
107.08553	5.0
117.09143	3.9
133.08588	28.7
177.11192	14.4
195.88496	2.6
217.14209	3.1
243.23030	4.2
287.25732	4.6
477.35434	4.3
657.47363	6.3
674.49927	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	675.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97215	1.3
53.31293	1.6
56.96557	24.4
59.04977	7.5
67.05482	6.9
69.03419	16.0
81.07015	2.3
83.16878	1.5
85.06527	1.8
87.04453	2.6
95.04939	11.2
95.08575	2.3
97.69085	1.6
98.97561	57.4
99.02823	1.8
99.76861	1.8
105.06987	1.9
107.08605	2.1
113.05997	9.3
116.98600	60.8
119.08556	3.2
131.08568	2.6
134.98619	2.0
134.99637	52.0
135.07339	1.5
143.00105	15.4
153.00723	12.0
161.01196	28.5
166.79185	1.6
179.02251	2.5
185.01216	6.0
187.02834	8.5
203.02293	8.1
229.03894	2.5
261.06378	2.7
365.17679	2.2
367.19861	2.3
383.18652	2.0
385.20538	6.7
401.83640	1.7
403.21942	2.1
411.18774	7.7
427.17795	2.4
428.44260	2.1
429.19281	13.0
445.19342	2.0
447.20703	6.3
454.20380	1.8
471.20334	10.8
489.21689	11.0
507.23071	2.7
531.22791	3.1
549.23523	16.5
615.28711	3.7
675.30389	100.0
676.30872	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	674.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97064	3.1
54.81845	4.3
55.01847	3.0
55.05500	66.8
57.03410	14.7
57.07065	44.6
67.05486	70.8
69.07047	20.4
71.08616	24.6
73.06523	14.5
79.05115	3.2
79.05471	52.2
81.07031	65.6
83.04990	5.9
83.08597	21.2
85.10152	20.8
87.04469	6.7
87.24918	3.2
89.06010	100.0
90.30693	3.3
91.05431	19.0
93.07009	43.9
94.10021	3.8
95.04930	3.8
95.08583	46.2
97.10143	44.8
105.06982	15.6
107.08575	41.5
109.10126	20.5
119.08562	8.3
121.10110	24.4
125.09568	22.4
131.08466	3.4
133.08546	31.0
133.10101	5.0
135.11641	16.1
144.72078	3.6
145.10094	5.9
147.11641	4.1
147.29218	4.1
149.13177	6.1
157.38506	3.7
161.80949	3.2
173.13263	12.5
177.11168	16.5
182.57860	3.5
217.14311	47.7
243.21053	3.7
243.23148	4.4
261.22012	19.1
287.25513	4.4
335.25732	61.4
395.63058	3.9
403.31900	7.5
477.35510	44.6
657.47192	8.1
674.50330	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	674.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01859	2.2
55.05498	5.7
57.03432	6.7
57.03662	0.8
57.58256	0.7
60.65720	0.8
61.02910	9.4
67.05495	11.9
69.03413	21.9
69.07043	9.0
70.06559	1.1
71.04967	5.5
73.02893	4.8
79.05466	6.8
81.03396	12.4
81.07037	26.5
82.06539	2.1
83.04959	1.7
83.08607	5.7
84.92237	0.9
85.02884	100.0
85.06526	18.4
87.04456	4.6
91.03925	4.3
91.05447	6.8
92.09245	1.3
93.07018	15.1
95.04948	2.3
95.08573	22.6
96.08916	1.0
97.02868	23.4
97.06524	1.2
97.10155	1.5
98.97520	1.4
99.04436	5.1
103.03918	0.9
105.07017	18.3
107.08562	15.4
108.08916	1.0
109.02863	10.8
109.06472	1.1
109.10138	16.8
111.08047	1.4
115.03888	1.5
117.07009	5.0
119.08540	10.3
121.10115	9.4
122.10429	1.2
123.08043	1.3
123.11677	5.5
125.09566	1.8
127.03886	18.9
129.06992	4.3
131.08530	12.0
133.04898	1.0
133.10112	14.1
135.11655	6.3
137.09573	12.2
137.13161	1.4
142.08607	11.9
143.08560	7.5
144.09303	1.1
145.02797	1.1
145.04932	20.6
145.10100	19.1
147.08092	1.5
147.11668	14.1
149.13338	2.0
151.03865	4.0
151.11174	2.1
155.08549	8.1
157.10103	19.1
158.10472	1.1
159.11659	30.8
161.13202	7.0
163.05930	7.9
163.11067	1.3
165.09048	8.8
167.07004	1.3
169.10098	5.8
171.11659	10.5
173.13229	6.2
175.14775	1.2
177.05424	4.8
177.12695	1.7
179.14192	0.9
181.04955	1.0
181.10023	1.6
183.11636	7.6
185.13307	7.1
187.11119	1.9
187.14722	1.8
189.12715	1.7
190.54001	1.1
195.11671	4.7
197.11630	1.1
197.13159	9.8
199.14737	2.0
201.12724	1.0
207.11894	1.1
209.13156	6.6
211.14734	3.5
213.12805	1.2
213.16341	4.8
215.12495	1.0
215.14236	7.1
217.15874	1.2
223.14821	10.2
227.17928	1.3
229.15840	1.9
231.17615	1.5
237.16396	3.5
239.17882	4.6
241.15848	2.2
251.17868	2.0
253.19444	5.7
255.17351	3.3
255.21007	1.9
279.21066	19.2
291.26639	1.3
297.22040	91.8
307.26761	1.0
308.26593	1.7
315.23093	26.5
325.11179	1.9
331.22250	1.9
332.22916	1.7
333.24203	1.6
402.33472	1.0
458.75833	1.2
477.28735	1.4
512.29626	1.2
530.30762	1.1
673.34351	1.7
674.34045	8.1
675.35187	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.0
54.05983	0.6
55.01853	3.7
55.05500	4.2
56.76588	0.6
57.03430	6.4
59.04979	1.2
61.02911	10.8
65.22772	0.9
66.08867	0.7
67.05492	7.8
67.51505	0.7
69.03410	19.3
69.07040	5.6
71.04965	3.5
72.80387	0.9
73.02883	4.2
74.28954	0.9
76.56052	0.8
79.05473	7.0
80.66599	0.8
81.03387	8.0
81.07038	19.3
82.07365	1.3
83.04962	4.2
83.08588	3.4
84.88225	0.9
85.02888	100.0
85.06538	7.3
87.04449	12.0
91.03912	4.6
91.05447	5.3
92.09211	0.9
93.07013	11.2
95.04939	1.9
95.08585	13.9
96.08939	0.8
97.02869	28.6
97.06520	2.0
98.97549	1.2
99.04443	6.3
99.08062	1.1
101.02368	1.1
105.07014	14.6
107.08578	13.5
109.02857	9.8
109.06496	1.5
109.10132	10.7
110.10464	1.1
111.04385	1.3
111.08069	1.8
115.03907	1.7
115.07567	1.1
117.06997	3.2
119.04948	1.1
119.08553	13.0
120.08871	0.9
121.06545	0.9
121.10129	8.4
123.07992	1.3
123.11697	2.0
124.87224	0.8
125.09566	1.3
127.03897	20.4
129.05429	1.1
129.06952	1.2
131.08502	9.5
133.10103	13.8
135.08043	1.2
135.11674	7.0
137.09572	7.1
142.08621	3.2
143.08534	5.9
145.02783	1.5
145.04942	25.1
145.10117	16.4
146.06052	5.9
147.11665	18.4
149.05948	1.1
149.09564	1.0
149.13156	1.3
151.11166	4.4
155.08536	3.3
157.10063	7.1
159.11655	19.4
161.09508	1.3
161.13242	8.5
163.03900	2.0
163.06000	9.4
163.11128	6.0
165.09045	3.7
167.07001	2.8
169.10063	4.7
171.11674	5.8
173.09509	1.4
173.13242	6.6
174.05484	3.4
175.11145	1.2
175.14789	1.1
177.05420	3.2
181.06505	0.8
183.11612	3.2
185.13231	6.0
187.11128	5.4
187.14771	3.9
189.12801	1.9
195.11615	1.6
197.13213	4.3
199.14816	3.8
201.12671	1.2
201.16364	3.4
205.15765	1.4
209.13252	1.5
213.16313	4.3
215.14217	1.2
223.14803	3.6
227.17924	3.6
237.16351	1.1
239.17894	1.9
251.18053	1.3
253.19464	5.7
254.20085	1.5
255.17300	1.5
255.20938	5.0
269.22516	1.0
279.16757	1.0
279.20981	11.1
279.72760	1.0
294.19308	1.4
297.22061	40.3
299.07074	1.1
299.20001	4.7
300.08417	1.1
313.21176	1.3
315.19638	1.7
315.23096	29.5
317.21036	6.5
325.11295	3.7
330.21118	1.3
331.21951	1.7
332.22690	1.6
333.24191	4.0
335.09369	1.5
349.23608	2.0
350.24051	1.3
363.21548	1.0
365.10550	1.0
411.29645	0.9
673.33881	2.0
674.34119	4.9
675.29645	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	674.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01860	3.5
55.05499	5.2
56.96518	0.7
57.03432	8.0
57.07065	1.8
59.04980	3.4
61.02914	7.9
62.67284	0.7
66.65349	0.8
67.05489	15.3
69.03411	22.3
69.07057	9.6
71.04971	10.0
73.02877	3.3
79.05475	6.3
81.03402	11.8
81.07037	24.2
82.07350	1.4
83.04971	2.0
83.08610	6.8
85.02889	100.0
85.06528	18.1
85.81247	0.8
86.03218	0.9
87.04460	6.1
91.03928	4.7
91.05473	5.0
93.07021	12.8
95.04936	9.0
95.08584	27.8
97.02875	27.6
97.06506	5.6
97.10163	2.0
99.04415	4.0
99.08048	1.0
102.57475	0.8
103.03911	0.9
105.07016	11.4
107.08582	14.4
109.02859	10.5
109.06493	3.5
109.10145	14.1
111.08037	1.1
111.11681	0.9
113.05983	17.2
117.07014	4.0
119.08549	10.9
121.06534	1.0
121.10126	10.6
123.08022	5.0
123.11706	7.4
127.03890	21.0
129.06989	3.0
131.08554	10.7
133.10110	14.5
135.11673	7.9
137.09612	6.5
137.13182	0.9
142.08638	3.3
142.68498	0.8
143.08549	5.1
145.02864	3.2
145.04936	20.5
145.08640	7.0
145.10066	14.7
147.04414	1.8
147.11674	8.2
149.13214	5.3
150.13611	1.0
151.07469	1.0
151.11180	4.8
155.08492	5.7
157.10088	9.4
159.11656	23.9
161.13257	5.8
163.03867	1.3
163.05968	6.5
163.11176	5.0
163.14717	1.1
165.09076	1.9
167.07030	1.3
169.10052	5.1
171.11626	9.5
173.13251	11.0
175.11093	3.7
175.14775	1.5
177.05415	4.6
177.12694	1.4
181.04883	0.8
181.10147	1.3
183.11679	9.2
185.13197	5.9
187.11186	1.4
187.14807	4.1
189.12727	5.2
195.11670	1.7
197.13243	6.9
199.14874	6.4
201.12694	4.0
201.16360	1.6
203.14261	5.6
209.13266	6.3
211.14851	4.1
213.16356	5.5
215.14268	4.8
223.14784	12.7
227.17848	4.6
229.15826	1.4
231.17412	1.4
237.16400	1.3
239.17902	4.2
241.15753	3.4
251.17821	1.4
253.19397	7.5
255.17455	1.0
255.18338	1.0
255.21045	8.4
269.19244	1.1
269.19687	1.2
269.22607	12.3
271.20523	1.3
273.21979	0.9
279.21017	26.0
297.22064	73.6
298.22220	1.2
315.23114	60.6
325.11282	3.7
327.25601	1.2
333.24155	65.9
334.24240	0.8
674.32599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21742	0.8
57.03432	1.1
57.03696	0.7
67.05479	1.9
70.06563	1.0
70.77509	0.9
74.23067	0.9
79.05470	1.5
81.07034	4.2
83.04967	5.4
84.45393	1.1
91.05458	1.7
92.08699	1.9
93.07043	4.0
95.08566	1.8
97.06503	10.1
98.30567	0.9
105.07016	4.4
107.08582	5.7
109.06509	2.1
109.10100	1.0
119.08556	8.0
121.10160	1.7
123.08051	2.2
128.06215	1.4
131.08539	10.2
133.06503	1.1
133.10136	5.7
135.08035	4.6
137.09634	1.3
141.06915	0.9
143.08556	9.0
145.10095	4.5
147.08018	6.2
149.09573	4.6
155.08566	2.3
157.10130	4.5
158.07297	1.2
159.08044	4.7
159.11658	1.8
161.09641	8.5
162.10367	1.1
163.11154	1.5
169.10118	4.5
171.08011	3.8
171.11624	1.8
173.09590	18.3
175.11192	2.1
177.12717	1.5
181.10114	1.8
183.11667	1.4
187.11177	5.2
191.10631	2.2
193.10057	1.7
195.11694	1.8
196.05435	0.9
197.13152	0.9
199.11218	1.4
201.53221	1.0
205.09950	1.0
206.10699	1.0
207.11642	2.2
209.13263	2.0
213.12642	1.1
219.11679	4.8
223.14848	1.9
225.12663	1.7
233.13174	1.5
239.14369	1.2
249.16463	3.8
251.14230	6.2
253.15807	1.5
257.24265	1.0
265.15933	1.7
266.16693	1.4
267.17389	5.5
275.17969	2.2
277.33743	1.0
278.16806	1.9
291.17291	4.3
293.18958	12.0
309.18362	14.5
311.19986	12.7
327.19482	100.0
329.21112	11.4
400.78189	1.0
424.74127	1.0
555.15100	1.0
655.39539	1.3
672.37079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35942	0.4
51.82555	0.4
53.03937	1.2
55.01860	0.9
55.05501	3.2
56.45040	0.4
56.75372	0.4
57.03428	6.8
59.04969	1.8
61.02915	10.3
64.33525	0.4
64.77286	0.5
65.57177	0.4
66.80138	0.5
67.05491	6.9
69.03415	21.4
69.07047	3.3
70.24697	0.5
71.04982	4.7
73.02905	3.8
79.05470	5.8
81.03400	8.5
81.07029	12.8
82.07372	0.7
83.01343	0.5
83.04969	0.6
83.08594	1.2
85.02891	100.0
85.06527	7.8
86.03201	0.5
87.04452	3.6
91.03933	3.2
91.05439	6.5
93.07027	9.2
95.04956	0.9
95.08588	12.9
96.08905	0.5
97.02872	28.7
97.06506	0.9
97.10131	1.1
99.04437	4.6
99.08082	0.8
103.03927	0.8
105.07017	13.2
107.08585	12.2
109.02859	11.0
109.06470	1.1
109.10146	10.7
110.10464	0.6
111.08054	0.9
111.11779	0.8
113.69017	0.5
115.03908	1.1
117.06998	5.6
119.08570	8.6
120.23505	0.5
121.10108	5.8
123.08052	2.2
123.11691	2.3
125.09585	0.7
127.03896	20.0
129.06976	5.5
131.08542	10.8
133.10097	8.6
135.11691	3.8
137.09607	2.7
137.13197	0.6
141.06953	2.1
142.07787	1.1
143.08527	6.0
144.09352	1.0
145.04942	24.1
145.10100	16.8
146.10385	0.5
147.11667	18.1
149.09642	0.7
149.13257	1.2
151.11172	3.0
153.06999	0.6
155.08522	7.9
157.10104	13.7
159.11662	37.3
161.09572	0.8
161.13223	4.9
163.05989	10.5
163.11195	2.1
165.09041	0.6
169.10112	4.3
171.11667	8.4
171.13019	0.7
173.13213	6.6
175.11177	1.2
177.12781	1.1
181.10107	1.0
183.11652	6.1
184.12531	0.6
185.13246	6.5
187.11189	2.3
187.14882	2.1
189.12766	0.5
195.11647	4.8
197.13205	5.9
199.14857	3.7
201.16432	0.6
209.13193	4.7
211.14850	3.4
213.16347	2.6
215.14304	3.4
223.14796	11.7
225.16283	0.9
227.17960	2.9
237.16362	4.1
239.17897	4.0
241.15924	1.0
251.18027	2.1
253.19475	5.5
255.17430	2.6
255.21114	2.8
269.18942	0.9
269.22635	0.9
279.21021	23.1
297.22070	83.0
298.22528	0.8
307.26395	0.9
315.23102	24.0
325.11426	3.8
333.24295	6.2
449.03180	0.6
674.34796	1.0
675.29480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
57.03427	4.6
57.07050	1.1
59.04989	4.7
60.87647	0.6
61.02923	1.2
65.34113	0.7
67.05499	6.9
69.03402	3.8
69.07052	3.5
70.38834	0.6
71.04973	5.4
75.04465	0.7
79.05477	4.8
81.07043	23.4
83.04963	15.4
83.08616	3.0
85.02895	34.9
85.06534	40.6
87.04451	59.7
91.05468	4.3
92.09204	1.2
93.07030	8.2
95.08590	13.8
97.02878	3.6
97.06489	1.4
97.20686	0.8
99.04446	3.4
105.07022	12.5
107.08587	9.2
109.10154	7.8
111.04428	8.1
115.07556	1.8
117.07005	2.9
119.08558	7.4
121.10124	7.3
123.11692	1.7
127.03911	3.2
129.05478	6.2
129.06973	1.6
131.08553	10.9
133.10115	9.5
135.11681	3.6
137.09641	0.8
137.13248	0.8
142.07817	1.6
143.07034	7.2
143.08542	6.1
145.02858	1.3
145.10120	12.3
147.11633	9.3
151.11195	1.6
155.08531	5.4
157.10107	21.5
159.11668	27.0
159.12953	1.5
161.13229	3.4
169.10110	4.5
171.11633	8.7
173.13261	4.4
175.14809	5.2
177.05447	6.3
177.12718	1.0
181.10136	3.2
183.11624	10.8
185.13242	5.1
186.87373	0.8
187.14795	0.8
189.12737	1.7
195.11603	5.2
197.13315	8.6
199.14809	3.9
201.12871	0.8
203.17966	8.2
209.13199	11.0
211.14835	3.4
213.16396	4.6
215.14314	4.9
217.15800	1.6
223.14810	11.5
227.17885	3.0
237.07576	1.0
237.16327	3.2
239.18111	2.6
241.15872	1.1
251.17905	7.9
253.19514	4.8
255.08685	0.9
255.17346	3.0
271.20508	0.9
273.09656	1.4
279.21042	26.0
295.20444	3.9
297.22083	100.0
298.22537	1.1
315.23126	20.1
380.80618	0.9
447.39191	0.9
449.41766	0.8
457.29443	1.0
459.88110	0.7
464.69717	0.9
465.99185	0.7
524.28064	0.9
646.87274	0.8
647.78510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07425	0.6
51.10091	0.5
53.03934	1.1
54.43112	0.5
54.50751	0.6
54.81804	0.7
55.01854	1.0
55.05509	6.1
55.25115	0.6
57.03431	5.4
57.07056	1.6
59.04998	0.6
61.02907	3.2
64.33495	0.7
67.05476	7.8
69.03417	10.1
69.07044	9.4
71.04985	3.2
73.02898	0.7
77.10471	0.6
79.05456	6.2
81.03402	3.8
81.07036	19.4
82.06569	0.7
83.04951	3.2
83.08590	3.1
85.02884	32.0
85.06490	1.0
87.04455	1.6
87.64001	0.6
91.05441	6.7
92.09006	5.1
92.09444	1.1
93.07015	11.9
95.04944	3.8
95.08585	19.2
96.08929	0.7
97.02863	10.1
97.06509	8.0
97.10152	1.5
99.04424	1.6
99.08059	1.6
105.06349	1.2
105.07003	15.5
107.04932	1.3
107.08583	11.6
109.02899	1.0
109.06496	19.9
109.10147	13.7
110.10468	1.0
111.08041	1.6
111.11682	0.7
117.06992	2.8
119.04913	1.0
119.08562	22.9
121.06495	1.6
121.10114	8.2
123.08056	7.0
123.11688	7.0
127.03869	5.8
129.06920	1.4
131.08562	5.3
132.00313	0.8
133.06517	2.4
133.10100	19.4
134.10481	0.7
135.08047	4.1
135.11652	5.4
137.05980	0.8
137.09612	3.0
137.13278	2.7
139.11201	0.8
142.08615	1.3
143.08527	5.3
145.02832	3.4
145.04929	4.4
145.06395	0.9
145.10110	11.4
146.03265	0.8
147.04337	0.9
147.08089	2.9
147.11630	8.2
149.09612	4.1
149.13245	4.3
151.11275	0.7
155.08560	3.0
156.09311	2.9
157.10101	4.2
159.11633	10.4
161.09581	5.7
161.13251	5.8
163.11159	3.6
169.10107	4.5
171.07928	0.8
171.11650	32.9
173.09619	1.2
173.13240	9.3
175.03947	1.1
175.11169	3.4
175.14789	5.7
177.05432	3.9
177.12747	1.5
177.16405	0.7
181.10057	1.3
183.11630	4.9
185.13223	5.2
187.11119	1.3
187.14780	3.9
189.12695	5.2
195.11656	1.6
197.13214	5.4
199.11162	1.1
199.14815	3.6
201.12737	1.4
203.14360	1.0
207.06396	1.1
207.11674	1.6
208.06844	1.1
209.13293	1.0
211.14769	3.9
213.12793	1.0
213.16354	4.4
215.14291	3.1
217.15849	1.7
221.13194	1.7
225.12845	1.1
227.14365	1.1
235.14722	1.4
237.16324	6.3
239.14343	1.5
239.17685	1.5
248.15565	1.3
251.17839	1.3
252.18663	1.2
253.19420	10.4
255.17413	4.7
257.18921	3.0
267.20975	1.1
271.20486	8.4
271.23215	0.7
277.19452	8.7
289.25165	3.1
295.20477	36.1
307.26205	5.0
313.21548	90.2
314.22076	1.1
325.27280	4.1
331.22604	100.0
332.22910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	24.3
57.07063	23.8
64.45200	2.3
67.05486	12.6
79.05473	3.0
81.07043	12.3
83.04961	100.0
83.08601	2.7
88.44265	2.9
91.05473	5.4
93.07018	4.0
95.08578	16.7
97.10217	2.3
98.98431	3.5
107.08563	4.3
109.10162	5.2
114.80640	3.2
116.18432	2.5
119.08566	3.8
121.10102	2.5
128.06200	10.3
128.61206	2.6
129.06976	12.2
133.10161	2.9
141.06981	4.3
147.08038	10.6
147.11653	21.0
175.01521	56.0
181.02574	80.1
210.55481	3.4
227.04659	24.8
239.04845	5.3
243.85242	2.9
244.97556	2.8
257.05740	10.3
283.10864	9.6
313.11920	63.5
334.44540	2.6
369.18195	13.8
475.33859	4.0
487.12555	5.9
512.37103	2.8
543.18750	17.1
599.25238	59.3
655.21179	4.2
655.31494	69.5
669.02551	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	672.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01852	0.6
55.05496	0.5
56.18312	0.2
57.03426	4.0
59.04973	0.5
60.04484	0.3
61.02890	0.3
66.44809	0.2
67.05485	0.4
69.03410	9.7
69.07032	0.3
71.04975	0.4
71.51044	0.2
75.04453	0.4
79.05466	1.0
81.03391	1.5
81.07014	2.1
83.04935	0.3
85.02885	9.1
85.06516	0.4
86.38300	0.2
87.04449	5.8
91.05460	2.0
92.09218	1.1
93.07009	1.1
95.04942	1.2
95.08591	1.3
97.02870	6.8
97.06487	0.4
99.04398	0.5
103.05418	0.5
105.07005	1.1
107.04897	0.4
107.08555	1.1
109.02856	1.3
109.10120	1.5
114.68557	0.3
115.03908	5.0
115.05405	1.2
117.06978	0.6
119.04919	0.5
119.08542	0.6
121.06480	0.3
121.10104	1.6
123.08061	0.4
123.11624	0.3
127.03857	1.0
128.06187	1.5
129.06969	7.3
131.04912	3.0
131.08546	8.2
133.04951	3.6
133.10097	0.5
135.11670	0.3
137.05948	11.1
137.09589	0.4
137.65123	0.2
141.06970	5.4
143.04921	0.5
143.08578	1.1
144.05669	1.0
145.02780	0.6
145.04933	1.0
145.06465	1.1
145.10106	1.0
146.07373	0.4
147.04417	1.9
147.11604	0.3
148.05214	0.3
151.03882	0.4
151.07516	1.5
153.05544	0.3
157.06453	7.1
158.07253	4.1
159.08022	9.4
160.05147	0.5
161.05910	0.6
161.09592	0.5
162.06720	0.4
163.03859	0.4
163.07524	1.5
163.11096	0.3
165.09073	0.3
167.07042	0.6
169.06413	4.5
169.07645	0.4
170.07217	1.4
171.07997	1.6
173.05978	0.3
173.09593	1.2
174.06715	17.9
175.07500	5.6
175.11156	0.5
176.08022	0.2
177.05458	1.5
177.09048	0.4
181.04933	1.9
181.08644	0.4
181.12169	0.5
186.06721	5.2
187.07552	0.9
187.11201	0.3
188.08266	1.1
189.09059	34.7
190.09557	0.4
191.06963	0.5
191.10724	2.6
201.09071	13.5
203.10591	3.0
207.10144	0.4
217.08612	0.3
219.10120	100.0
220.10390	0.6
221.11739	1.3
230.09915	0.3
237.11162	1.3
267.17352	0.4
294.19217	0.3
312.20319	0.3
370.42404	0.3
439.54083	0.3
449.24786	0.3
618.55402	0.3
671.71356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01865	0.8
55.05504	24.1
57.03420	2.6
57.07067	19.6
59.04988	1.0
61.02905	2.6
67.05494	25.6
69.03422	8.5
69.07056	71.0
71.04976	4.3
71.08618	8.3
73.02886	1.1
74.01042	0.5
79.05468	8.8
81.03395	2.7
81.07040	100.0
83.08607	39.5
83.08997	0.6
85.02892	31.1
85.06532	9.4
85.10169	2.5
87.04439	0.8
91.03924	0.7
91.05454	2.6
93.07029	15.8
95.04917	0.7
95.08588	98.5
97.02875	7.9
97.06517	1.4
97.10149	25.2
99.04459	1.2
99.08073	11.2
105.07024	2.5
107.08580	18.6
109.02860	3.8
109.10146	61.6
111.08080	5.4
111.11707	19.6
113.09629	2.3
119.08553	2.1
120.28970	0.6
121.10129	12.7
123.11687	37.4
125.09610	2.6
125.13246	9.5
127.03873	4.9
127.11169	3.6
133.10117	1.2
135.11681	8.1
137.13237	24.4
139.11168	0.8
139.14850	2.7
141.12778	1.0
145.04968	3.6
145.10110	1.0
147.11720	0.7
149.13246	13.2
151.14822	9.3
153.12740	1.2
155.14238	0.8
161.13364	0.6
163.05954	1.3
163.14793	7.6
165.16347	5.6
167.14314	3.6
167.86694	0.6
169.15874	1.2
177.16371	2.5
179.17906	5.3
181.04889	2.9
191.17909	3.4
193.19496	4.6
205.19511	3.4
207.21097	5.2
211.20605	2.2
219.21033	3.1
223.20515	0.8
237.22183	1.0
263.27267	6.3
275.27289	10.6
278.23709	0.6
281.25186	0.9
281.28351	31.4
293.28345	37.4
294.28494	0.7
311.29388	29.2
329.30420	11.1
455.33630	1.0
460.29868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01854	3.1
55.05503	22.8
57.03420	4.8
57.07066	21.0
58.96333	0.8
59.05008	1.3
61.02913	1.9
65.03911	0.9
67.05489	28.9
69.00620	0.8
69.03414	12.5
69.07053	74.0
71.04984	3.5
71.08614	7.8
73.02901	1.1
77.03838	0.9
79.05472	15.7
81.03398	5.8
81.07037	100.0
82.07363	2.0
83.04968	3.9
83.08601	32.7
85.02888	33.4
85.06516	10.8
85.10159	1.1
87.04465	1.3
91.05445	7.3
93.07018	28.6
95.04961	4.5
95.08583	99.2
96.08948	1.6
97.02856	10.9
97.06506	4.7
97.10147	19.9
99.04437	3.3
99.08083	6.8
105.07014	9.0
107.08575	36.7
109.02853	6.5
109.06506	3.4
109.10139	73.7
110.10474	4.2
111.08053	7.5
111.11692	18.9
113.09588	1.2
115.03928	1.6
119.04922	1.3
119.08551	9.2
121.10120	22.4
122.10427	1.0
123.08067	1.3
123.11683	45.6
125.05987	1.2
125.09600	3.6
125.13262	8.8
127.03907	6.3
127.11176	3.8
131.08566	3.9
133.04980	1.3
133.10118	6.8
134.10420	1.2
135.08011	2.1
135.11667	14.4
136.12053	1.2
137.05946	3.9
137.09618	7.2
137.13231	21.4
138.10011	1.1
139.11148	3.1
139.14836	1.4
141.12761	1.1
143.08543	1.4
145.04985	6.2
145.10066	5.4
147.04381	5.0
147.11655	4.4
149.13228	36.2
151.11226	1.1
151.14789	9.6
153.12700	1.4
155.10674	3.6
155.14313	3.1
157.10095	2.0
159.11671	3.6
161.13271	1.7
163.06007	3.2
163.14806	9.8
165.09100	4.0
165.16399	4.7
167.06949	1.0
167.14276	8.9
169.15758	1.9
169.92030	0.9
173.13243	1.9
175.14796	1.9
177.05431	1.0
177.16345	4.4
179.17944	5.6
183.11783	1.2
185.13304	1.1
193.19537	3.2
201.16342	1.2
205.19389	1.6
219.21053	3.2
237.22240	1.1
249.25761	3.2
275.27243	12.6
281.28226	6.1
293.28314	46.0
294.28558	1.0
305.24850	1.6
306.25085	1.7
311.29376	22.2
323.25903	1.9
324.26074	3.7
325.11108	1.6
329.30399	3.9
341.26788	1.6
359.27960	1.3
410.30991	1.1
427.32138	1.6
428.32321	4.5
446.33426	1.3
473.34396	1.3
671.30920	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	671.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36972	3.0
55.05481	3.9
66.63469	3.0
67.05515	5.8
69.07047	6.3
72.58334	3.5
72.94495	3.4
79.05473	6.2
81.07047	21.1
84.54686	3.9
86.00875	3.0
91.05470	6.5
93.06998	8.2
95.08584	24.0
102.12508	3.4
105.07022	7.6
107.08589	28.2
109.10150	8.1
119.08582	16.2
121.10143	16.3
123.11626	4.7
131.08551	5.4
133.10109	7.4
135.11690	7.7
145.10153	16.1
147.11694	6.9
149.13257	4.3
159.11652	7.5
161.13199	7.6
163.14746	5.4
171.11684	6.3
173.13164	8.2
175.14896	4.0
187.14886	4.3
199.14897	5.3
201.16428	7.9
215.17943	20.2
217.04695	90.5
229.19518	7.8
231.19351	3.6
239.18094	3.6
241.19469	6.4
255.21123	3.8
409.34256	4.0
434.61310	4.0
439.53165	3.8
477.33313	100.0
671.38824	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	671.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27837	0.5
53.00297	0.8
53.03931	1.1
55.01843	0.8
55.05502	23.0
57.03423	1.2
57.06820	0.8
57.07067	18.7
59.04988	0.7
59.54854	0.5
61.02902	1.0
67.05492	24.9
69.03400	3.7
69.07053	80.6
71.04965	3.6
71.08614	9.6
73.06548	2.4
76.76231	0.5
79.05481	9.8
81.03387	3.0
81.07038	100.0
81.94650	0.6
83.08604	43.5
85.02414	1.3
85.02887	20.1
85.06526	7.8
85.10149	3.8
87.04435	1.0
91.05467	2.7
93.07022	14.4
95.04947	0.8
95.08581	99.6
97.02862	5.0
97.06510	3.0
97.10145	28.5
99.08071	9.8
104.52734	0.6
105.06997	1.5
107.08579	16.7
109.02847	2.5
109.10137	68.2
111.08031	4.2
111.11698	21.4
113.09626	3.4
115.04035	0.7
119.08534	1.0
121.10119	13.1
123.11678	42.5
125.09651	1.4
125.13249	11.7
127.03844	2.6
127.11155	1.0
135.11665	11.4
137.13231	21.4
137.14217	1.1
139.11140	0.9
139.14812	1.2
141.12587	0.7
145.04912	1.5
149.13231	14.8
151.14795	12.9
163.14789	7.1
165.16367	4.8
167.14250	1.4
177.16302	5.0
179.17911	5.8
191.17929	4.2
193.19502	4.3
196.70306	0.7
205.19514	4.2
207.21098	7.0
219.21056	2.4
223.20512	4.4
237.22173	1.6
239.23631	0.9
263.27335	5.7
275.27246	9.6
281.28323	27.8
282.44025	0.7
293.28320	40.4
299.29410	17.3
311.29382	19.9
315.35474	0.6
329.30414	20.6
401.30374	0.9
461.34012	0.9
506.30664	0.8
535.28516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
53.12305	1.1
55.05505	39.8
57.03427	11.9
57.07068	30.1
59.04964	1.3
61.02633	1.9
61.02915	36.2
62.28284	1.0
64.69494	1.2
66.36755	1.0
67.05491	16.9
67.06071	1.0
69.03400	2.1
69.07055	70.3
71.08614	18.3
73.02890	10.0
75.04446	2.9
79.05480	12.0
81.07041	30.9
83.04980	1.5
83.08607	52.6
84.10588	1.1
85.02896	32.2
85.10170	6.9
91.03938	25.2
91.05466	2.5
93.07024	23.7
95.08584	28.3
97.02883	16.3
97.06507	8.1
97.10145	53.3
99.04446	2.2
105.07017	1.5
107.08597	17.7
109.10133	12.8
111.08077	6.3
111.11697	14.9
119.08568	2.9
121.10118	31.6
123.11665	6.6
125.09583	4.8
125.13246	2.7
127.03887	5.4
129.09044	1.4
131.08609	1.5
133.10107	3.0
135.11670	23.1
137.13257	5.4
139.11188	2.0
145.04927	8.8
145.10075	2.5
149.13231	14.1
153.12723	2.3
159.11681	1.7
163.05994	7.7
163.14822	8.4
171.11685	1.3
177.16338	5.1
201.16544	1.5
215.17813	3.1
219.21034	24.1
229.19380	2.1
237.22060	26.7
245.23367	1.2
255.20836	1.7
255.23149	21.7
279.98483	1.6
311.25745	100.0
329.26846	42.8
409.34506	2.1
437.34033	2.7
455.35120	12.1
473.30872	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	671.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.7
53.03944	2.7
55.01868	4.6
55.05505	10.1
57.03426	11.9
57.07065	2.0
59.04980	1.3
60.69707	1.0
61.02918	7.8
67.05489	20.5
69.03415	25.4
69.07056	20.0
71.04985	7.4
73.02909	1.4
79.05481	15.2
79.92472	1.0
81.03405	12.0
81.07037	43.5
82.07417	1.2
83.04966	5.7
83.08594	7.8
85.02890	58.0
85.06529	5.1
87.04469	5.7
91.05451	17.0
93.07027	27.4
94.07348	2.1
95.04944	8.7
95.08584	43.7
96.08918	1.8
97.02869	19.6
97.06510	5.6
97.10159	4.5
98.97637	1.0
99.04458	4.6
99.08061	2.1
105.07006	32.1
105.07652	1.7
107.04936	2.1
107.08586	23.3
109.02863	10.8
109.06516	12.3
109.10133	17.5
110.10482	1.5
111.08037	2.3
111.11751	1.6
113.05986	2.3
115.03887	2.5
117.07005	9.1
119.04911	1.3
119.08560	16.3
121.06499	6.2
121.10131	27.6
122.10432	1.8
123.08055	22.8
123.11682	10.9
124.12050	1.8
125.09617	4.3
127.03930	10.8
128.06152	1.3
129.06985	5.6
130.07756	4.5
131.08543	17.2
133.02847	1.9
133.04927	2.3
133.06503	2.4
133.10115	15.9
135.08022	4.7
135.11713	4.8
137.05981	2.4
137.09599	5.4
137.13228	4.8
139.11186	1.1
141.06970	2.3
142.07790	4.5
143.08556	14.5
145.02844	2.4
145.04984	7.5
145.10109	91.0
147.07993	9.7
147.11685	8.3
149.05995	2.0
149.09610	6.4
149.13280	4.9
151.07512	14.4
151.11194	2.1
152.27731	1.1
153.06969	1.5
155.08511	9.9
157.06459	1.9
157.10103	17.2
159.08032	6.9
159.11671	23.2
161.09601	7.9
161.13277	5.5
163.06087	1.4
163.11171	2.3
165.09070	5.2
167.07121	1.5
167.08511	2.1
167.10651	2.0
168.09390	1.6
169.10077	11.0
171.08040	4.5
171.11691	7.0
173.09613	6.7
173.13278	1.8
175.11221	4.3
177.05481	4.6
178.02617	1.4
179.08505	2.1
180.09306	1.8
181.10094	7.5
182.10838	1.5
183.07870	1.2
183.11626	13.7
185.09618	5.9
185.13275	6.0
187.11215	5.1
187.14726	1.4
191.08623	1.1
193.04942	15.8
193.10133	4.6
194.10873	2.0
195.08083	1.5
195.11627	10.7
197.09538	4.5
197.13240	7.5
199.11169	5.2
199.14848	5.0
201.12741	2.5
207.06456	1.6
207.11702	2.5
209.13231	8.5
210.13945	1.5
211.11174	2.7
211.14775	2.3
213.12790	4.8
219.11774	2.2
220.12335	1.3
221.13245	4.2
223.14780	5.2
225.12755	5.8
225.16344	2.3
227.14314	4.7
227.17819	1.2
231.13837	1.3
233.13083	1.3
235.14719	5.3
237.12767	6.4
237.16310	1.6
238.13503	1.7
239.14244	2.6
239.17979	1.8
249.16542	1.6
251.14322	5.3
251.17868	7.1
253.15871	6.9
255.17360	11.2
265.19504	5.5
267.17386	4.6
269.15448	4.1
269.18954	5.9
271.16858	4.3
273.18405	2.5
278.16397	1.9
283.20590	6.4
285.18472	2.0
287.19995	4.9
287.23361	1.8
293.18903	20.3
293.24564	1.7
293.28226	1.9
294.19382	4.6
299.16330	1.7
301.21533	1.7
303.19601	2.0
305.24677	6.9
306.24814	2.0
311.20007	34.8
311.29376	1.3
312.20300	3.8
323.25677	9.2
324.26093	4.3
329.21048	100.0
330.21341	6.6
341.26379	1.4
347.22083	13.3
473.24866	1.2
491.26215	9.8
668.71216	1.3
671.32288	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	670.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.7
53.03939	0.3
54.45776	0.2
54.81688	0.3
55.01868	0.8
57.03429	10.7
59.04984	1.7
60.04516	1.3
61.87698	0.3
65.03924	0.6
67.05475	0.4
69.03419	29.4
69.07050	0.4
71.04972	0.8
71.25666	0.3
73.02898	0.6
75.04459	2.3
75.27781	0.3
81.03414	2.5
81.03822	0.3
81.07046	2.1
83.04967	0.6
85.02892	19.3
85.06540	0.4
87.04454	17.5
89.03889	0.4
89.69038	0.3
91.05453	1.4
92.08878	1.4
93.03400	0.7
93.07036	0.7
94.04160	0.7
95.04964	0.4
95.08598	0.7
97.02871	20.5
97.06503	0.4
99.04461	0.5
103.05450	0.7
105.07029	0.6
107.04909	0.3
107.08571	1.8
109.02837	0.5
109.06509	1.8
109.10139	1.8
111.04445	0.8
115.03910	14.2
115.05411	5.9
117.03378	0.3
117.06988	1.9
119.04917	0.7
119.08553	1.2
121.10113	1.2
122.03632	3.1
125.06012	1.3
127.03867	0.7
128.06201	1.3
129.07005	6.4
131.04907	3.7
133.04944	12.0
135.11681	0.7
136.12012	0.3
137.05960	82.8
138.06284	0.6
143.04921	10.0
143.10660	0.4
144.05614	0.7
145.02864	1.4
145.04994	1.3
145.06474	2.8
145.10056	0.5
146.03514	0.4
147.04427	1.3
147.07996	0.6
147.11678	0.4
149.05959	0.5
150.07579	1.8
151.03899	1.4
151.07521	0.6
153.05460	2.3
157.06477	6.7
160.05174	17.8
161.05966	2.3
163.07582	2.6
163.08826	0.4
169.04938	0.4
172.05136	2.5
174.06754	2.4
175.07515	100.0
176.07866	0.6
177.05429	3.1
177.08986	0.4
185.05934	0.6
187.07515	37.2
189.09070	7.4
191.08514	0.5
196.05199	0.4
203.08527	1.4
205.08563	13.5
211.07486	1.6
211.16945	0.4
217.08592	2.9
219.07986	2.2
231.08026	2.5
233.09740	0.4
235.09613	23.6
239.06917	1.4
240.07684	0.6
247.07458	0.6
248.08382	1.2
251.10503	0.6
255.06451	1.6
259.07629	0.7
263.10522	1.9
266.31195	0.4
270.08722	1.7
271.09570	3.0
276.07709	0.6
279.10153	2.4
283.09802	0.5
291.10153	4.4
295.10086	0.4
311.12662	1.8
321.24454	0.5
323.12671	4.5
341.13776	7.6
469.35117	0.4
499.18826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23996	1.0
54.03566	0.9
55.05506	1.6
61.97827	1.0
67.05508	5.4
69.07065	1.2
79.05489	4.8
81.07048	5.6
93.07017	2.6
95.08597	5.2
95.96812	1.2
108.90685	1.3
109.10151	1.3
137.05962	2.7
166.48337	1.3
266.96432	1.2
277.17801	1.6
333.20319	11.6
389.22943	1.9
667.45337	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	669.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.1
53.03934	1.5
53.11536	0.7
55.01870	1.3
55.05501	24.8
57.03429	5.2
57.07066	24.6
57.94265	0.6
58.25204	0.7
61.02919	1.9
65.03894	0.8
67.05491	35.8
68.59961	0.6
69.03416	13.5
69.07054	51.7
71.04975	6.7
71.08614	14.3
79.05472	25.8
81.03403	4.3
81.07035	99.3
83.04961	15.1
83.08599	27.5
84.36022	0.7
85.02888	39.4
85.06525	3.2
85.10170	4.7
87.04454	1.6
91.05450	16.2
91.98430	0.7
92.00174	0.8
93.07018	43.7
95.04938	10.8
95.08581	100.0
96.74483	0.7
97.02870	12.6
97.06515	6.0
97.10146	14.1
99.04436	3.2
100.11245	1.9
101.06046	0.8
105.06442	0.8
105.07011	35.9
107.08571	40.1
109.02856	5.2
109.06497	5.4
109.10136	61.6
111.08064	3.6
111.11688	10.8
113.05993	6.9
113.09676	0.9
115.03887	1.4
117.07034	0.8
119.08549	26.8
121.06422	0.8
121.10115	33.4
123.08050	4.7
123.11679	28.4
125.09604	1.4
125.13240	3.0
127.03866	5.7
129.06894	0.8
131.08548	1.9
133.04953	1.7
133.10112	24.8
135.11668	25.6
137.09616	4.4
137.13219	10.3
139.11200	1.2
145.04872	5.4
145.10133	3.2
147.11649	25.1
149.13229	15.5
151.11172	1.6
151.14798	5.2
153.12744	0.9
154.52455	0.7
155.10678	3.2
161.09529	0.7
161.13232	13.6
163.05901	1.2
163.14771	8.4
165.12671	5.4
165.16324	1.9
170.15337	1.0
173.13211	0.8
175.14789	7.5
177.05518	0.9
177.16386	7.7
179.14236	1.0
179.17915	1.8
189.16302	6.7
191.17905	4.0
193.19537	1.2
198.14877	0.8
203.17926	4.1
205.19429	1.0
210.14871	3.4
211.20537	1.4
217.19504	6.3
217.68352	0.8
231.21216	1.0
245.22630	0.8
247.24106	3.9
261.25769	3.0
273.25708	26.3
279.26849	1.9
281.28314	0.8
291.26776	24.2
297.27808	1.3
309.27774	32.4
309.31299	1.4
327.28867	15.1
345.29892	8.0
668.48950	1.1
669.49341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3304
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
55.05502	0.7
60.40221	0.3
61.62605	0.4
66.84666	0.4
67.00234	0.4
67.05474	0.7
67.24748	0.3
69.03423	1.7
69.07043	0.4
74.06062	0.8
81.03408	0.9
81.07048	1.0
83.04947	0.5
84.08138	0.5
85.02907	1.1
91.05430	0.5
93.07056	0.6
95.04941	0.9
95.08605	2.0
97.02872	0.7
105.07018	0.8
107.04932	0.5
107.08601	2.2
109.06524	0.4
109.10161	4.1
116.07085	0.5
119.04939	0.6
119.08598	1.0
119.22970	0.4
120.06552	0.5
121.10145	1.0
123.08102	0.6
133.10106	5.5
134.10478	0.8
135.08098	0.6
135.11658	3.2
137.06030	0.6
137.09599	3.0
138.09988	0.6
139.07527	0.5
145.02846	2.0
145.10094	0.6
147.04414	0.7
147.11723	0.4
149.13292	0.5
163.03928	2.7
164.06941	0.5
167.07092	0.6
173.13245	0.6
175.14893	0.8
177.05479	2.5
191.14336	0.7
193.15977	0.6
209.15363	1.0
211.16933	2.0
335.09531	2.1
342.49408	0.5
411.79013	0.5
570.75024	0.5
604.41705	0.5
667.32922	100.0
668.33124	3.2
668.57416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.81777	0.4
55.01874	0.8
55.05493	6.6
57.03419	3.2
57.07060	2.7
59.04985	2.7
61.02908	0.9
63.86909	0.5
67.05492	13.3
69.03065	0.8
69.03412	15.4
69.07050	13.6
71.04975	3.2
71.08614	0.7
73.02899	0.7
79.05468	2.0
81.03400	1.8
81.07030	17.7
83.04958	8.6
83.08605	8.5
85.02880	15.0
85.06537	4.4
87.04454	4.9
91.05450	3.0
93.07018	8.8
95.04961	2.2
95.08576	32.9
97.02863	8.0
97.06506	0.9
97.10154	1.9
99.04429	0.8
99.08076	4.2
105.06988	7.1
107.08574	24.0
109.02889	0.8
109.06507	9.7
109.10134	95.8
111.08043	3.3
113.09648	1.1
115.03890	5.0
117.07050	0.7
119.04899	0.8
119.08553	35.6
121.10117	11.8
123.08036	14.1
123.11681	9.5
125.09598	2.0
127.03890	2.3
127.11130	1.0
133.04950	3.0
133.10103	24.3
135.04413	0.6
135.11664	100.0
137.05965	3.1
137.09584	16.7
137.10567	0.9
138.06288	0.8
139.11174	3.3
145.02840	2.6
145.04915	1.9
147.04387	5.7
147.11676	1.9
149.13220	7.8
151.11148	9.8
151.14783	13.9
153.12708	2.3
163.03867	2.6
165.12665	0.7
165.16354	2.7
167.07042	0.5
168.98560	0.5
175.07582	0.8
175.14780	41.4
177.05426	2.3
189.16231	0.5
193.15839	55.9
211.16891	89.0
212.17163	0.8
263.61163	0.4
373.22113	7.1
461.78821	0.5
487.12466	0.6
578.95599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
53.09251	0.4
55.01838	0.6
55.05499	6.3
56.31902	0.5
57.03427	6.2
57.07050	3.0
59.04979	3.0
62.91125	0.4
67.05487	10.7
69.03066	0.9
69.03413	17.3
69.07050	11.9
71.04963	3.5
75.04409	0.8
78.02927	0.5
79.05467	2.8
81.03378	2.6
81.07037	15.3
81.72146	0.6
83.04952	7.3
83.08600	8.5
85.02886	14.2
85.06521	3.3
87.04449	6.8
87.08070	0.6
91.05450	3.0
92.08943	1.1
93.07028	9.8
95.04943	2.5
95.08582	31.5
97.02857	13.7
97.06507	2.5
97.10126	1.2
99.08057	3.9
105.07017	6.1
105.14811	0.5
107.08570	22.1
109.02833	0.9
109.06503	11.0
109.10139	100.0
111.04414	0.6
111.08071	3.1
113.09588	1.3
115.03923	7.0
117.03323	1.0
119.08559	30.3
121.10108	11.3
123.08023	12.5
123.11690	8.1
125.09613	0.9
127.03905	1.0
131.04881	0.8
133.04947	5.8
133.10101	22.6
135.11668	92.0
137.09592	17.7
139.11136	1.4
143.10591	0.6
145.02837	7.2
145.04855	0.7
145.10110	1.3
147.04401	2.4
147.11678	1.4
149.06004	1.3
149.13243	7.6
151.11154	10.1
151.14799	13.9
153.12724	2.7
165.12650	0.7
165.16380	3.3
167.07004	2.0
173.13036	0.7
175.14783	37.3
177.05420	11.1
181.04958	1.2
193.14037	0.9
193.15851	51.1
211.16896	88.4
212.17252	0.6
373.22256	5.8
448.08612	0.8
667.31873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33234	1.6
55.01865	6.9
55.05495	8.2
55.48356	1.2
57.03442	2.4
63.90157	1.6
67.05490	17.5
69.07047	7.7
69.53770	1.6
76.01989	1.9
79.05466	8.9
81.07043	38.2
83.08605	3.8
83.69136	1.5
87.22723	1.7
90.73136	1.6
91.05451	2.9
92.09391	3.4
93.07030	7.1
95.08582	11.3
97.10139	1.5
107.08564	8.5
109.06502	16.3
109.10112	3.3
111.04429	15.2
114.39366	1.6
119.08545	2.8
121.10162	2.9
122.82188	1.5
123.11687	2.7
125.05934	2.2
133.10086	3.4
135.11688	2.4
137.05959	100.0
147.11678	3.5
149.09671	2.4
161.09595	3.8
163.11221	1.8
165.09117	2.3
203.17917	2.8
231.17378	3.5
249.18527	1.9
277.17944	18.3
295.18997	6.9
337.27335	14.1
351.21573	11.2
526.72882	2.0
613.44446	42.4
631.44989	2.8
666.42566	2.1
667.44800	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	666.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
57.03436	1.2
57.07065	2.0
57.69304	0.9
67.05492	15.3
69.07054	17.0
69.49149	0.8
78.08848	0.9
79.05465	14.2
81.07037	35.9
83.08591	9.4
85.06534	1.4
85.88414	0.8
91.05464	10.6
93.06475	1.9
93.07020	32.9
95.04951	1.4
95.08578	53.6
97.06479	1.5
97.10159	5.0
105.07008	29.3
107.08572	53.8
109.06497	1.9
109.10136	33.0
111.08050	0.8
117.03368	1.7
117.06998	6.9
119.08550	57.2
121.10114	41.0
123.08057	1.5
123.11668	19.0
129.06973	1.9
131.08533	22.0
133.10097	34.1
134.18138	0.9
135.11667	28.3
137.13268	8.2
143.08487	7.0
145.02840	4.1
145.10100	30.9
147.11655	29.7
149.12123	1.5
149.13226	18.2
151.11160	0.9
151.14799	0.9
153.09129	1.5
155.08572	1.3
157.10106	12.7
159.11650	31.1
161.13213	31.3
163.13399	1.4
163.14767	32.6
169.10133	4.6
171.11623	15.9
173.09746	1.1
173.13210	26.9
175.14786	18.9
177.05415	4.0
177.09062	1.5
177.16393	4.6
179.14282	1.3
183.11707	6.0
185.13231	13.7
187.14772	16.4
189.16336	14.6
191.17972	3.8
197.13252	3.8
198.72415	1.0
199.14801	11.6
201.16347	21.0
203.17892	12.1
207.13719	1.6
209.13319	1.1
211.14761	4.0
213.16286	7.5
215.17905	44.6
217.19470	4.5
225.16339	1.5
227.17838	10.9
229.19429	25.3
231.13635	1.0
233.15285	1.1
239.17870	11.7
241.19463	20.4
243.21082	7.3
245.15152	1.2
247.16895	1.8
253.19469	5.8
255.20996	12.1
257.22552	1.9
259.20532	1.3
261.18390	14.6
267.21008	5.7
269.22678	8.7
273.18466	3.4
273.21664	1.3
275.20001	7.0
283.24097	1.4
284.10263	0.9
285.18338	3.2
287.20029	11.6
295.24237	4.9
299.20120	1.6
301.21527	5.3
313.21582	4.3
315.23001	4.7
327.23044	1.9
391.33514	16.4
409.34552	30.1
419.33005	6.2
437.34009	66.1
455.35098	100.0
456.35428	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	666.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40718	0.1
50.69138	0.1
53.03939	0.2
53.28229	0.1
55.01859	0.2
56.15829	0.1
57.03420	0.6
61.02914	0.9
65.03932	0.1
67.05463	0.1
69.03414	2.8
70.23127	0.1
71.04976	0.2
73.02890	0.2
76.65342	0.1
79.05480	0.2
81.03391	0.9
83.04986	0.2
85.02889	7.7
87.04451	0.6
89.03896	2.4
89.04394	0.2
91.03931	0.5
91.05339	0.1
92.08850	0.2
92.64854	0.1
95.04939	0.1
97.02257	0.2
97.02872	5.0
98.89423	0.1
99.04442	0.4
100.11213	0.4
107.04955	1.2
109.02844	0.7
111.04366	0.1
115.03913	0.6
117.03363	4.7
119.96836	0.1
123.04439	0.1
127.03878	1.4
129.06963	0.2
135.04395	12.2
145.02827	11.2
145.04726	1.2
157.06512	0.1
161.05928	0.2
163.03871	100.0
164.04224	0.3
167.03394	0.1
175.03891	0.7
193.05145	0.2
201.05391	0.1
227.17436	0.1
231.06549	0.3
259.06006	0.3
277.07007	0.5
288.86462	0.1
325.09097	8.4
355.10089	0.7
373.82080	0.1
428.54993	0.1
457.13480	0.4
459.92142	0.1
481.57605	0.1
517.15564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.7
57.03425	3.9
57.07067	3.2
58.38322	0.7
59.04970	0.8
65.38091	0.7
67.05486	6.7
67.76287	0.7
69.03407	12.8
69.07054	28.9
71.04974	1.8
73.06506	0.7
79.05475	4.7
81.07034	24.5
83.04974	7.0
83.08586	6.0
85.02892	8.3
85.06522	4.0
87.04437	3.6
90.05524	1.2
90.17904	0.8
91.05463	4.9
93.07032	16.5
95.04966	3.6
95.08580	14.5
97.02865	6.7
97.06506	3.7
97.10143	0.9
99.04446	0.9
105.06367	0.8
105.07011	23.2
105.07722	0.7
107.08576	18.4
109.06501	4.8
109.10139	15.8
111.08092	1.7
111.11669	6.2
113.05992	5.6
115.03891	1.8
119.08538	9.2
121.10116	10.8
123.08054	1.5
123.11676	15.9
127.07559	1.4
131.08557	1.4
133.04922	1.3
133.10126	6.2
135.11687	8.9
137.13257	4.4
145.10060	0.8
147.11665	59.6
149.09560	3.4
149.13228	16.4
151.11180	4.6
153.12724	10.3
157.10074	1.4
161.13275	1.0
163.14754	0.8
165.12726	27.3
168.60193	0.7
171.11552	0.8
175.11122	8.0
177.16417	1.0
193.12202	34.9
205.30064	0.9
229.14334	12.1
234.98894	0.8
291.26804	1.1
319.26205	12.5
337.23584	1.5
337.27304	25.4
355.28342	100.0
356.28516	1.2
373.23724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.1
55.01849	0.5
55.05479	0.2
57.03415	0.8
61.02897	0.8
65.03916	0.2
66.50029	0.1
66.74015	0.1
69.03069	0.1
69.03416	3.1
70.35069	0.1
71.04955	0.2
73.02887	0.5
79.05461	0.5
81.03402	1.0
83.04967	0.2
85.02887	7.7
87.04433	0.7
89.03892	2.6
91.03925	0.6
92.08929	0.5
95.01286	0.1
95.04955	0.2
97.02872	5.1
99.04419	0.5
100.11232	0.9
104.35752	0.1
107.04939	1.3
109.02837	0.9
115.03922	0.7
117.03358	3.7
118.79882	0.1
123.04499	0.1
127.03879	1.3
133.04913	0.1
135.04387	12.2
138.09100	0.6
143.62875	0.1
145.02826	10.6
145.04715	1.3
147.04396	0.2
151.64333	0.1
161.05948	0.2
163.03868	100.0
164.04166	0.9
175.03922	0.6
175.07468	0.3
185.06036	0.2
193.04900	0.1
227.17438	0.3
259.05829	0.3
277.07031	0.2
325.09097	9.8
355.10138	1.0
457.13315	0.2
517.14996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01869	2.3
55.05495	4.2
57.03418	1.8
61.02890	2.2
65.03919	1.1
67.05474	8.8
69.03406	7.8
69.07052	4.6
71.04958	2.2
79.05472	28.4
81.03393	2.5
81.07043	16.4
83.04949	3.8
84.16412	1.0
85.02879	15.5
85.06527	1.7
87.04489	1.3
90.45163	1.1
91.05456	16.4
91.58382	1.1
91.63783	1.0
93.07016	19.1
95.04949	8.1
95.08584	16.9
97.02877	5.6
97.06511	11.0
99.04446	1.2
105.07010	37.6
107.04921	1.4
107.08570	91.5
109.06488	5.2
109.10172	9.7
111.08053	1.0
113.05969	6.4
117.07000	13.6
119.08555	20.6
121.06522	1.5
121.10120	11.8
123.07996	1.3
123.11685	1.5
127.03886	4.1
128.06161	1.6
128.93753	1.2
129.06975	6.3
130.07721	2.1
131.08539	40.0
133.10089	16.1
135.08058	2.1
135.11644	6.8
137.05974	1.4
140.35388	1.0
141.07025	1.3
142.07774	1.2
143.08539	18.0
145.04964	1.7
145.06479	2.3
145.10100	65.5
147.08034	2.6
147.11670	20.7
149.05946	1.8
149.09595	8.0
149.13235	5.5
155.08488	3.7
157.10104	12.7
158.07217	1.5
159.08020	4.3
159.11650	17.9
161.09615	9.9
161.13254	6.3
163.07454	1.3
163.11153	6.0
165.12775	5.9
167.08464	1.1
169.10088	6.4
170.54755	1.1
171.11638	7.3
173.09583	38.0
173.13248	6.8
175.11154	10.6
175.14790	2.0
177.05315	1.2
177.09175	1.4
177.12740	4.6
181.10130	1.9
183.11661	2.6
185.09610	1.4
185.13234	5.6
187.11191	6.1
187.14850	1.2
189.09183	1.8
189.12769	2.4
191.10645	17.0
191.14259	5.5
195.11618	2.3
197.13155	2.4
199.14816	4.6
201.12718	2.1
203.10597	1.5
209.13104	1.6
211.14835	1.1
215.10646	4.2
215.17995	1.7
221.13297	1.5
223.14821	1.1
235.14616	2.1
239.31181	1.3
253.19446	18.6
271.20438	18.3
289.21634	6.8
291.20981	1.9
295.20428	1.5
301.19177	1.3
309.22025	2.4
319.20520	6.4
337.21555	29.5
355.22568	59.5
373.23639	100.0
374.23996	1.5
380.42337	1.1
391.24640	28.6
409.25833	4.8
677.77368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91584	0.2
53.00284	0.2
53.03932	0.4
55.05503	1.6
56.96563	0.3
57.03429	3.8
57.07064	0.3
59.04983	1.1
59.24285	0.2
61.02919	0.4
62.34445	0.2
63.89026	0.2
65.00365	0.2
65.03931	0.3
67.05489	2.6
67.71548	0.2
69.03411	14.4
69.07047	2.1
71.04967	0.9
72.08125	0.2
73.02905	0.4
74.31702	0.2
79.05471	3.1
81.03413	1.5
81.07034	6.6
83.04962	1.4
83.08607	0.6
85.02888	9.3
87.04452	5.1
91.05457	4.0
93.07024	3.2
95.04945	1.2
95.08588	3.6
97.02867	11.3
97.06487	0.5
98.97571	3.0
99.04459	0.4
105.07009	4.8
107.04906	1.9
107.08574	18.9
109.02879	0.4
109.06511	6.9
109.10141	6.1
111.08138	0.3
115.03905	5.0
115.05428	0.5
116.98607	1.4
117.06969	2.4
119.04857	0.3
119.08571	2.6
121.06480	1.0
121.10115	14.5
122.07257	2.9
123.04374	0.5
123.08045	2.1
123.11607	0.3
125.09599	0.4
127.03875	1.0
128.98682	0.3
131.08563	2.2
133.04944	5.2
133.10103	100.0
134.10411	0.6
134.99591	0.3
135.08026	15.3
135.11642	1.8
137.09589	64.5
138.09990	0.3
143.08495	0.5
145.02876	0.4
145.04913	1.2
145.10080	1.9
147.04416	0.9
147.11615	2.6
148.59935	0.2
149.05951	0.4
149.09587	2.2
149.13240	15.0
151.11165	4.4
158.10794	0.5
159.11638	0.6
161.01158	0.9
161.09489	0.3
163.03812	0.2
163.11157	0.3
163.14783	2.8
164.07060	0.4
165.07463	0.3
165.12712	5.0
171.11684	0.4
173.13222	6.8
177.00630	0.6
177.05435	0.6
181.04987	0.3
186.18523	0.3
191.14273	38.1
197.13124	0.3
201.00612	0.4
207.01717	0.3
209.15329	36.6
219.01700	0.4
226.95744	0.2
227.15187	0.3
237.02675	0.5
249.02631	0.4
256.21344	0.3
267.03885	0.3
269.10617	0.3
279.20901	0.3
297.22003	0.9
315.23074	1.1
316.81470	0.2
333.14859	0.3
333.23926	0.3
371.20538	1.9
390.20450	0.3
466.53479	0.3
510.75287	0.3
517.30109	0.3
530.71277	0.3
551.24817	0.3
574.25073	0.3
646.80359	0.4
665.27972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80150	0.2
52.60542	0.2
53.03930	0.4
55.05482	2.0
57.03424	3.2
57.07058	0.6
59.04955	0.4
61.02907	0.4
64.94067	0.3
67.05493	2.3
69.03074	0.5
69.03413	10.5
69.07063	2.3
70.22668	0.3
71.04951	0.7
73.02888	0.4
75.04442	0.4
79.05468	3.3
81.03377	1.4
81.07033	7.7
83.04936	1.4
83.08577	0.5
84.08146	0.3
84.74590	0.3
85.02422	0.5
85.02888	8.8
87.04460	3.2
91.05468	3.8
92.09135	1.6
93.07015	2.6
95.04935	1.2
95.07783	0.3
95.08557	2.0
97.02866	8.7
97.06480	0.5
99.04461	0.6
105.07013	4.4
107.04922	1.5
107.08573	18.7
109.02852	0.6
109.06485	6.8
109.10139	6.0
115.03911	4.4
115.05470	1.2
117.06974	1.8
119.04891	0.4
119.08555	2.5
121.06429	1.5
121.10114	11.3
122.07278	2.8
123.08028	1.2
123.11594	0.4
127.03872	2.0
131.08537	2.1
133.04941	4.6
133.10103	100.0
134.10403	0.5
135.04387	0.3
135.08018	14.0
135.11659	1.1
137.05988	2.2
137.09593	63.4
138.05463	1.5
138.09921	0.4
145.02852	1.3
145.04892	0.7
145.10110	0.4
147.04414	2.6
147.11636	2.0
149.05884	0.3
149.09598	0.5
149.13229	12.0
151.11157	1.9
158.10910	0.6
163.03920	1.2
163.14777	2.6
165.12717	1.2
166.04942	0.8
167.07028	0.5
173.13217	7.4
177.05441	1.4
181.04942	0.8
191.14273	36.8
209.15327	30.0
278.72287	0.3
295.09958	0.3
371.14801	0.4
371.20712	1.5
449.18411	0.3
561.05377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19551	0.3
52.25145	0.4
53.00285	1.9
53.03920	0.9
55.01852	1.7
55.05489	2.7
57.03426	16.6
59.04990	3.6
61.02895	2.9
61.11493	0.4
62.89946	0.4
67.05484	2.2
69.03413	50.1
69.07053	11.3
71.01324	0.5
71.04963	1.1
73.02876	1.8
75.04446	2.8
79.05479	4.0
81.03400	5.6
81.07038	4.8
83.04943	1.8
83.08586	1.1
85.02886	56.4
87.04448	24.0
91.05466	3.7
91.64645	0.4
93.07027	6.1
95.04950	5.7
95.08576	5.0
97.02869	34.7
97.05960	0.4
97.06499	4.0
99.04417	2.0
103.03908	0.6
105.06991	5.0
106.24702	0.5
107.08555	7.4
107.57397	0.5
109.02853	3.5
109.06486	5.0
109.10130	2.9
110.06009	0.5
111.04412	0.8
111.08018	0.5
115.03904	24.6
117.07001	1.1
119.08557	6.2
121.06474	5.3
121.10142	4.1
122.07250	7.5
123.08042	32.2
123.11629	0.9
127.03868	6.7
131.08560	3.0
133.04936	19.1
133.10078	7.8
135.08029	30.9
135.11638	4.3
136.08641	0.7
137.09576	3.0
143.08578	0.7
145.02827	2.1
145.04944	6.3
145.10063	1.0
147.11650	2.6
148.08801	2.3
149.09567	2.6
149.13231	2.4
159.06458	0.5
159.11685	0.6
161.09581	1.7
163.03894	0.9
163.05960	2.2
165.12701	11.2
167.07022	0.8
173.13239	2.2
175.11163	0.7
175.14735	3.9
176.11932	10.3
177.05374	1.9
189.07504	0.6
191.14268	100.0
193.15851	12.6
198.67331	0.5
209.15352	6.8
259.07892	0.7
277.08929	0.6
295.10202	1.1
327.49817	0.5
341.19522	4.1
353.19604	2.0
371.20676	5.2
503.24496	1.0
603.34735	0.6
665.29993	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23621	3.5
55.05509	37.2
57.03420	21.3
67.05495	93.8
67.89584	3.8
69.07050	29.4
79.05479	46.0
81.02718	3.9
81.07038	100.0
83.08596	20.0
83.11101	4.4
87.65176	4.3
91.05466	49.6
93.07015	47.5
95.04939	6.4
95.08584	56.6
97.06506	6.7
105.07034	28.9
107.08576	17.4
109.10148	21.5
111.08038	4.4
113.94276	4.0
117.06976	9.0
119.08578	20.4
121.10097	24.4
123.11707	5.0
126.72284	4.0
129.06979	7.6
131.08580	17.6
133.10141	24.1
135.11691	7.9
143.08539	6.5
145.10152	10.9
149.09590	4.6
149.13191	5.9
185.13177	5.7
275.19827	6.8
337.27335	59.7
349.23672	8.2
459.90436	5.4
517.38342	6.1
531.40155	20.6
571.43042	23.8
575.01135	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	665.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91584	0.2
53.00284	0.2
53.03932	0.4
55.05503	1.6
56.96563	0.3
57.03429	3.8
57.07064	0.3
59.04983	1.1
59.24285	0.2
61.02919	0.4
62.34445	0.2
63.89026	0.2
65.00365	0.2
65.03931	0.3
67.05489	2.6
67.71548	0.2
69.03411	14.4
69.07047	2.1
71.04967	0.9
72.08125	0.2
73.02905	0.4
74.31702	0.2
79.05471	3.1
81.03413	1.5
81.07034	6.6
83.04962	1.4
83.08607	0.6
85.02888	9.3
87.04452	5.1
91.05457	4.0
93.07024	3.2
95.04945	1.2
95.08588	3.6
97.02867	11.3
97.06487	0.5
98.97571	3.0
99.04459	0.4
105.07009	4.8
107.04906	1.9
107.08574	18.9
109.02879	0.4
109.06511	6.9
109.10141	6.1
111.08138	0.3
115.03905	5.0
115.05428	0.5
116.98607	1.4
117.06969	2.4
119.04857	0.3
119.08571	2.6
121.06480	1.0
121.10115	14.5
122.07257	2.9
123.04374	0.5
123.08045	2.1
123.11607	0.3
125.09599	0.4
127.03875	1.0
128.98682	0.3
131.08563	2.2
133.04944	5.2
133.10103	100.0
134.10411	0.6
134.99591	0.3
135.08026	15.3
135.11642	1.8
137.09589	64.5
138.09990	0.3
143.08495	0.5
145.02876	0.4
145.04913	1.2
145.10080	1.9
147.04416	0.9
147.11615	2.6
148.59935	0.2
149.05951	0.4
149.09587	2.2
149.13240	15.0
151.11165	4.4
158.10794	0.5
159.11638	0.6
161.01158	0.9
161.09489	0.3
163.03812	0.2
163.11157	0.3
163.14783	2.8
164.07060	0.4
165.07463	0.3
165.12712	5.0
171.11684	0.4
173.13222	6.8
177.00630	0.6
177.05435	0.6
181.04987	0.3
186.18523	0.3
191.14273	38.1
197.13124	0.3
201.00612	0.4
207.01717	0.3
209.15329	36.6
219.01700	0.4
226.95744	0.2
227.15187	0.3
237.02675	0.5
249.02631	0.4
256.21344	0.3
267.03885	0.3
269.10617	0.3
279.20901	0.3
297.22003	0.9
315.23074	1.1
316.81470	0.2
333.14859	0.3
333.23926	0.3
371.20538	1.9
390.20450	0.3
466.53479	0.3
510.75287	0.3
517.30109	0.3
530.71277	0.3
551.24817	0.3
574.25073	0.3
646.80359	0.4
665.27972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	4.1
55.05500	45.1
57.03427	17.3
57.07076	5.2
67.05490	100.0
69.07050	43.7
79.05471	56.3
81.07034	96.1
82.70322	3.2
83.08591	13.6
91.05462	56.1
92.03533	2.9
93.07014	61.2
95.04944	5.9
95.08583	53.8
97.06513	6.6
97.10125	15.1
105.06987	45.9
107.08591	37.5
107.58020	3.8
109.06553	5.1
109.10123	22.1
117.06991	14.5
119.08539	37.0
121.10055	25.6
123.11703	3.9
125.09600	6.3
131.08566	17.3
133.10077	17.9
135.11693	7.3
137.08653	3.6
145.10092	12.2
147.11674	14.2
147.36278	4.6
149.09567	3.4
157.10208	5.1
159.11699	6.9
161.13293	5.8
173.13252	5.6
174.50018	3.5
183.43991	3.3
227.12726	21.6
247.62173	3.5
275.19922	29.0
337.27298	63.5
349.23676	29.3
354.91574	3.8
426.36630	4.5
429.23096	3.9
491.37073	6.3
571.43854	4.2
611.46411	34.8
629.47601	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	663.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.2
66.47125	1.8
67.05481	5.2
69.07050	2.6
79.05473	10.9
80.79496	1.9
81.07043	19.4
83.04958	11.1
85.06508	2.6
90.59138	2.0
91.05467	12.2
92.09313	3.5
93.07009	20.0
95.04923	1.9
95.08578	18.2
97.06500	13.4
103.50420	1.8
105.07003	22.3
107.05013	1.9
107.08583	24.3
109.10131	14.6
111.08076	4.2
113.05980	2.2
115.08250	2.0
117.07000	3.5
119.08559	18.6
121.06480	4.7
121.10111	13.2
123.08054	4.2
123.11713	2.8
124.08372	2.0
129.06982	2.1
131.08511	14.6
133.10107	40.1
135.08051	9.0
135.11662	7.9
135.51024	2.2
137.09509	2.5
143.08563	15.3
144.08957	2.4
145.10075	24.8
147.08000	2.7
147.11652	17.5
149.09575	2.3
149.13257	2.7
151.11194	2.7
155.08528	12.2
157.10120	12.9
159.11632	29.4
161.09592	5.1
161.13226	19.7
163.11308	2.1
167.08423	2.4
169.10100	8.2
171.11684	10.9
173.09587	17.3
173.13243	11.5
175.11104	3.6
175.14764	3.3
183.11725	5.0
184.96805	2.7
185.13263	13.6
187.11208	3.0
187.14781	13.4
189.12814	3.2
191.14400	2.8
195.11621	14.3
196.12450	2.1
197.13168	13.6
199.14824	9.4
201.12776	2.9
203.14360	9.1
209.13187	15.5
211.14763	45.1
212.15187	13.9
212.21326	2.4
213.16403	2.4
215.14281	2.7
222.14011	2.5
223.14679	11.4
225.12688	3.1
225.16341	4.8
237.16374	12.8
251.17833	12.0
252.18454	3.0
253.19371	4.7
255.17375	20.6
256.17789	3.3
269.18896	42.1
270.19370	16.5
271.19794	2.6
279.20975	33.4
295.20526	12.1
297.22058	67.9
313.21695	18.3
314.21884	3.4
315.23105	100.0
331.22623	77.6
332.22998	27.7
333.24030	23.6
359.14905	2.7
391.87253	2.0
496.85883	2.6
663.35419	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02571	0.3
55.05505	0.4
56.98520	0.3
67.05473	0.4
78.36167	0.3
79.05482	0.4
81.07032	0.6
85.02879	1.5
85.06551	0.4
91.05472	0.6
93.07015	0.7
95.08582	0.5
105.07025	0.4
107.08585	0.5
109.10095	0.3
119.08551	0.7
121.10160	0.4
133.10107	0.6
143.22005	0.3
149.13214	0.4
163.03816	0.3
196.91161	0.4
305.08298	2.4
365.10486	8.2
422.41089	0.3
422.85709	0.4
501.28192	0.4
620.93964	0.3
662.38556	0.4
663.33209	100.0
664.33795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50458	1.7
53.74867	1.7
53.75234	1.6
57.07050	2.8
65.27475	2.0
74.68293	1.8
78.39251	1.9
79.15437	1.8
79.96724	2.0
81.07047	2.2
87.04445	3.9
181.09723	2.1
327.07697	3.1
389.88486	2.6
663.44379	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	663.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28259	0.6
51.68396	0.6
53.00312	0.8
57.07070	58.7
88.08472	0.6
91.05476	5.5
92.09142	4.4
93.43849	0.6
95.04940	0.9
105.07031	3.0
121.87978	0.6
131.54114	0.6
132.09419	0.7
147.11670	8.1
153.06981	3.1
155.04672	0.8
171.08012	0.9
207.52310	0.7
233.03598	4.0
247.79930	0.6
251.04610	17.0
274.11148	0.7
294.27759	0.8
307.10840	1.3
327.07748	100.0
356.89465	0.8
383.14017	66.8
439.20258	72.2
440.20560	1.2
495.26495	53.6
551.32776	50.3
552.32922	0.9
561.12158	0.9
589.02783	0.7
607.39026	58.6
608.39185	1.3
663.45337	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07354	1.4
53.00272	2.3
53.03922	3.3
55.01854	3.0
55.05507	42.0
57.03424	20.8
57.07058	3.9
62.32301	1.6
65.03918	4.1
67.05146	4.0
67.05492	100.0
67.05847	3.6
67.96349	1.5
69.03368	2.9
69.07059	27.6
70.85197	1.9
71.04961	2.9
73.81165	1.7
74.75747	1.8
77.90993	1.9
79.05473	85.9
81.07038	96.9
83.04965	7.8
83.08606	15.5
85.06537	2.4
87.04444	4.4
91.05466	61.1
93.07024	78.2
95.04945	10.0
95.08582	58.3
97.06493	9.2
97.10139	10.0
105.04507	1.9
105.07020	64.0
107.04927	4.6
107.08584	45.8
109.06478	7.9
109.10140	23.5
111.08064	3.1
117.06993	21.2
119.08568	41.6
121.06467	2.9
121.10124	31.8
123.08069	4.6
123.11674	6.8
125.09594	7.9
129.06989	9.9
131.08519	26.4
133.10121	27.2
133.64650	1.7
135.11671	9.7
141.06995	2.2
143.08548	3.9
145.10094	23.4
147.11670	23.1
149.09578	4.4
149.13245	7.0
149.33200	2.0
157.10069	3.7
159.11668	12.6
161.13211	3.1
163.11153	2.4
165.12657	3.4
169.10135	1.9
171.11540	2.3
173.13171	7.4
175.45461	1.8
185.13229	6.9
187.14751	2.1
189.11192	2.7
193.22064	1.8
197.13210	2.3
203.14322	2.0
227.12715	11.7
229.05031	2.0
257.18900	3.5
261.21857	3.4
267.15701	2.4
275.20032	32.5
278.64813	2.1
335.25751	62.6
349.23621	18.7
436.21140	2.0
489.35577	4.3
497.59528	1.9
529.38831	2.4
545.38196	2.1
569.41406	9.9
590.77936	2.5
609.45074	27.6
626.67859	2.4
627.46790	3.4
645.76782	2.3
671.63995	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18660	4.1
53.03934	4.2
55.01860	5.9
55.05517	41.3
56.90611	5.2
57.03421	24.3
57.07072	6.1
65.02348	4.4
67.05495	96.6
69.07051	32.6
79.05477	81.9
81.03417	7.6
81.07040	100.0
83.04989	8.0
83.08618	10.6
85.73512	5.3
87.04470	11.0
91.05456	65.5
93.07024	89.0
95.04954	8.5
95.08582	66.5
97.06490	11.0
105.07028	48.2
107.08601	45.0
109.06539	8.5
109.10146	7.2
117.06984	26.5
119.08562	35.0
121.10100	12.9
129.06952	9.1
131.08568	29.6
133.10107	27.1
145.10147	8.8
159.11729	11.3
269.17471	10.3
309.20493	7.6
335.25824	55.1
349.23856	8.9
529.39050	30.7
569.41699	11.9
609.44763	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	662.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42839	1.4
53.03938	2.4
53.30228	1.3
54.81663	1.6
55.01855	3.0
55.05502	30.2
55.37231	1.6
57.03424	37.0
57.07063	1.9
61.02907	6.4
67.05139	2.7
67.05486	72.4
69.03400	7.7
69.07043	20.4
71.01306	2.3
71.04969	9.0
73.52187	1.4
74.14057	1.5
79.05469	74.0
80.74062	1.5
81.03394	82.2
81.07028	52.8
81.07478	3.2
83.04958	34.0
83.08596	22.1
85.02888	35.7
85.03696	1.7
85.06525	7.3
87.04487	1.9
91.05453	46.9
93.07013	71.6
95.04936	41.9
95.08560	17.4
97.02880	11.7
97.06508	17.3
97.10149	17.6
99.08042	2.5
105.07008	29.1
107.04931	10.1
107.08572	45.6
109.06503	6.9
109.10120	6.3
111.08059	16.8
113.05981	3.4
115.05450	2.5
117.07007	8.8
119.08556	29.6
121.06519	2.2
121.10124	17.9
123.08013	2.3
123.11639	2.4
125.09600	2.3
129.06941	12.1
131.08556	14.2
133.10115	16.7
135.11656	49.9
137.09570	2.2
142.07732	3.3
145.10088	14.8
145.11134	1.8
147.08049	2.2
147.11659	21.5
149.09593	3.9
157.10109	15.1
163.11128	6.2
165.09349	1.7
175.11153	20.3
181.12166	10.5
193.12206	50.2
211.13264	44.1
255.15845	60.7
267.15814	24.8
272.75720	1.9
285.16855	25.1
421.25931	2.1
447.27319	77.5
465.28333	100.0
536.16498	1.9
623.29095	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	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69987	0.2
53.03941	0.4
55.01854	0.3
55.05488	1.4
57.03167	0.2
57.03424	3.2
61.02905	0.3
65.03923	0.3
67.05488	3.6
69.03410	10.0
69.07038	2.5
72.33903	0.3
75.04430	0.4
75.22994	0.2
79.05475	4.8
81.03381	2.2
81.07034	6.9
83.04960	1.4
83.08588	1.9
84.80940	0.3
85.02881	8.1
85.06526	0.5
87.04446	4.7
91.05451	6.0
93.07018	6.9
95.04942	1.3
95.08576	5.8
95.34685	0.3
97.02864	6.9
97.06508	0.6
97.10162	0.5
99.04404	0.6
105.07011	10.3
107.08572	11.7
109.02837	0.7
109.06484	1.4
109.10131	8.5
111.04363	0.3
111.08028	0.6
115.03902	4.9
117.03350	1.1
117.07005	1.9
119.04900	0.4
119.08556	8.9
121.06468	0.5
121.10107	6.3
123.08020	0.6
123.11687	1.6
125.09573	0.4
127.03873	1.7
128.06166	0.3
129.06966	0.6
129.09091	0.5
131.08536	3.0
133.04947	4.7
133.06441	0.5
133.10103	8.7
134.10481	0.3
135.08041	6.4
135.11658	3.9
136.11789	0.4
137.05925	1.2
137.09601	1.8
137.13210	0.5
143.08536	2.8
145.02826	3.9
145.04936	1.2
145.10112	5.8
147.04390	1.9
147.07973	1.2
147.11653	11.2
149.05885	0.4
149.09595	1.5
149.13251	1.5
151.11136	1.4
152.88072	0.4
156.09221	0.6
157.10085	3.0
159.08055	0.3
159.11646	5.7
161.09500	0.5
161.13222	14.8
163.03894	2.6
163.06004	0.5
163.11134	0.5
165.12692	0.5
167.07036	0.4
169.10080	1.1
171.11633	7.0
173.13222	3.4
175.11133	0.5
175.14777	2.2
177.05426	5.0
178.08604	0.4
179.14265	1.6
183.11623	1.4
185.13182	4.7
187.11212	0.7
187.14815	1.8
189.12720	3.5
191.14142	0.4
195.11632	0.5
197.13197	2.0
199.14822	3.0
201.12753	0.5
201.16467	0.4
203.14233	2.1
209.13268	0.7
211.14812	0.5
213.16335	0.7
223.14767	1.5
225.16248	0.3
227.17944	0.5
237.16241	0.6
239.17863	0.6
241.15982	0.4
251.17792	0.4
253.19440	1.2
255.20998	0.6
269.22586	5.8
279.20993	5.3
287.23691	2.4
295.10211	0.7
297.22046	9.7
315.23111	100.0
316.23502	0.5
333.24185	14.4
351.25125	4.0
424.65793	0.3
447.27649	0.7
477.28445	0.5
495.28674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69987	0.2
53.03941	0.4
55.01854	0.3
55.05488	1.4
57.03167	0.2
57.03424	3.2
61.02905	0.3
65.03923	0.3
67.05488	3.6
69.03410	10.0
69.07038	2.5
72.33903	0.3
75.04430	0.4
75.22994	0.2
79.05475	4.8
81.03381	2.2
81.07034	6.9
83.04960	1.4
83.08588	1.9
84.80940	0.3
85.02881	8.1
85.06526	0.5
87.04446	4.7
91.05451	6.0
93.07018	6.9
95.04942	1.3
95.08576	5.8
95.34685	0.3
97.02864	6.9
97.06508	0.6
97.10162	0.5
99.04404	0.6
105.07011	10.3
107.08572	11.7
109.02837	0.7
109.06484	1.4
109.10131	8.5
111.04363	0.3
111.08028	0.6
115.03902	4.9
117.03350	1.1
117.07005	1.9
119.04900	0.4
119.08556	8.9
121.06468	0.5
121.10107	6.3
123.08020	0.6
123.11687	1.6
125.09573	0.4
127.03873	1.7
128.06166	0.3
129.06966	0.6
129.09091	0.5
131.08536	3.0
133.04947	4.7
133.06441	0.5
133.10103	8.7
134.10481	0.3
135.08041	6.4
135.11658	3.9
136.11789	0.4
137.05925	1.2
137.09601	1.8
137.13210	0.5
143.08536	2.8
145.02826	3.9
145.04936	1.2
145.10112	5.8
147.04390	1.9
147.07973	1.2
147.11653	11.2
149.05885	0.4
149.09595	1.5
149.13251	1.5
151.11136	1.4
152.88072	0.4
156.09221	0.6
157.10085	3.0
159.08055	0.3
159.11646	5.7
161.09500	0.5
161.13222	14.8
163.03894	2.6
163.06004	0.5
163.11134	0.5
165.12692	0.5
167.07036	0.4
169.10080	1.1
171.11633	7.0
173.13222	3.4
175.11133	0.5
175.14777	2.2
177.05426	5.0
178.08604	0.4
179.14265	1.6
183.11623	1.4
185.13182	4.7
187.11212	0.7
187.14815	1.8
189.12720	3.5
191.14142	0.4
195.11632	0.5
197.13197	2.0
199.14822	3.0
201.12753	0.5
201.16467	0.4
203.14233	2.1
209.13268	0.7
211.14812	0.5
213.16335	0.7
223.14767	1.5
225.16248	0.3
227.17944	0.5
237.16241	0.6
239.17863	0.6
241.15982	0.4
251.17792	0.4
253.19440	1.2
255.20998	0.6
269.22586	5.8
279.20993	5.3
287.23691	2.4
295.10211	0.7
297.22046	9.7
315.23111	100.0
316.23502	0.5
333.24185	14.4
351.25125	4.0
424.65793	0.3
447.27649	0.7
477.28445	0.5
495.28674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
54.81727	0.2
55.01864	1.7
55.05496	1.6
57.03165	0.4
57.03424	6.0
60.00165	0.2
61.02911	8.7
67.05490	2.3
69.03413	17.1
69.07059	1.6
71.01304	0.2
71.04969	5.3
73.02898	3.5
76.56185	0.2
79.05457	1.9
81.03393	7.1
81.07030	8.2
83.01325	0.8
83.08601	2.0
85.02884	100.0
85.06537	0.4
86.03223	0.2
87.04436	1.9
91.03923	3.5
91.05449	2.5
92.09309	0.5
93.07014	4.5
95.08578	9.2
97.02863	25.4
97.10110	0.8
99.04438	4.3
101.02384	0.4
103.03893	1.2
105.07001	4.1
107.08567	7.8
109.02858	9.5
109.10138	5.4
115.03915	1.3
117.06992	1.2
119.08550	4.4
121.10114	6.0
122.42487	0.2
123.11678	2.3
127.03882	19.4
129.07001	0.3
130.57942	0.2
130.59039	0.2
131.08554	2.8
133.10101	4.9
135.11662	8.9
137.13242	0.5
143.08556	0.4
145.04929	26.0
145.10100	3.9
147.11656	7.2
149.13231	4.6
151.11200	0.4
157.10104	0.4
159.11644	3.8
161.13217	5.5
163.05965	10.9
163.11240	0.2
163.14758	2.5
163.96622	0.2
165.12740	1.0
171.02180	0.2
171.11703	0.9
173.13203	4.7
175.14793	3.8
177.16350	1.4
185.13260	0.3
187.14761	4.4
189.16347	6.6
189.17911	0.3
199.14758	0.9
201.16348	4.1
203.18102	0.4
205.15820	0.4
205.68089	0.2
213.16338	1.9
213.44154	0.3
215.17924	0.9
219.17448	0.9
227.17905	3.5
231.21115	0.4
241.19580	0.9
243.21072	0.8
257.22565	4.9
271.08142	0.8
283.24127	29.8
289.09192	0.3
301.25183	40.2
302.25519	0.2
319.26288	8.3
325.11169	1.9
391.02115	0.2
481.31516	0.3
482.56598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01854	1.5
55.05508	5.5
57.03426	6.8
57.07050	0.6
61.02917	8.9
67.05486	9.7
69.03065	1.1
69.03416	19.1
69.07051	4.6
71.04973	2.8
73.02895	4.3
79.05461	4.0
80.07334	0.6
81.03396	8.4
81.07040	19.4
82.07371	0.8
83.08594	2.7
85.02888	100.0
85.06508	3.7
87.04427	2.8
91.03939	4.8
91.05463	5.8
93.07021	9.3
95.08591	15.0
97.02871	26.8
97.10127	11.4
99.04440	4.4
99.08049	0.8
105.07003	10.9
107.08576	10.1
109.02861	11.0
109.10136	13.2
115.05409	0.7
117.06985	3.6
119.08553	10.8
121.10114	10.0
123.11717	4.8
127.03892	22.5
131.08549	7.4
133.10092	12.1
135.11655	11.3
137.09599	3.2
137.13268	1.5
143.08522	1.0
145.04942	28.4
145.10117	10.6
147.11673	16.1
149.13249	10.1
157.10056	1.0
159.11668	20.5
161.13229	16.0
163.05949	10.4
163.14807	2.6
165.09077	36.1
165.10464	1.3
165.12738	2.9
166.09383	7.5
167.45753	0.8
173.13190	10.9
174.03052	0.7
175.14778	10.4
177.09114	0.6
185.13239	2.6
187.14772	25.3
189.16296	2.0
197.52573	0.8
199.14745	4.0
201.16331	6.7
205.12234	0.9
213.16360	2.6
215.17992	0.7
227.17953	5.0
241.19438	1.0
257.22580	9.0
283.24142	68.0
284.24365	1.1
301.21957	1.1
301.25180	27.8
302.25439	0.8
319.26117	1.2
325.11224	3.6
444.35007	0.7
660.38770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.4
53.03930	2.7
54.09698	0.4
54.64688	0.3
55.01871	3.0
55.05494	3.6
57.03425	6.9
57.07066	1.8
59.04974	0.7
61.02912	12.0
67.05484	6.3
69.03413	21.1
69.07047	9.9
70.07393	0.5
71.04967	4.5
73.02893	3.6
79.05469	4.0
81.03395	10.0
81.07034	15.3
82.07364	1.6
83.01334	0.4
83.04971	0.5
83.08596	4.3
84.08931	0.5
85.02885	100.0
85.06519	1.6
86.03228	0.4
87.04449	3.5
91.03936	4.7
91.05447	4.8
93.07022	8.2
95.04968	1.0
95.08578	15.7
96.08916	2.2
97.02866	32.4
97.06490	0.5
97.10126	2.1
98.06024	0.4
99.04420	5.0
101.02366	0.4
105.07007	23.5
106.07327	0.5
107.08569	12.8
108.08893	0.8
108.68709	0.4
109.02858	10.4
109.06502	0.6
109.09379	0.6
109.10137	12.7
110.10460	0.7
111.08102	0.4
111.11701	10.8
115.03914	2.2
117.07008	0.7
119.07703	0.8
119.08553	23.0
120.08927	0.5
121.10123	7.1
123.11662	4.3
124.12000	0.5
125.09558	0.5
125.13255	0.5
127.03883	19.9
127.04808	0.8
129.06967	0.9
131.08542	10.2
133.04887	0.8
133.10092	7.6
133.11018	0.5
135.08002	0.5
135.11665	4.2
137.05969	0.7
137.09650	0.9
137.13226	2.0
138.13586	0.6
143.08543	3.3
144.06535	1.5
145.04936	26.2
145.10098	10.0
147.08025	0.5
147.11664	11.2
149.09634	0.5
149.13220	4.6
150.13503	0.5
151.11148	0.7
155.08575	0.5
157.10135	4.3
159.11667	7.5
160.11826	0.4
161.13222	6.5
163.05981	7.1
163.11154	0.5
163.14803	1.7
165.09081	12.9
166.09416	3.1
169.10109	0.9
171.11664	2.5
173.13211	6.4
175.11212	0.5
175.14830	2.1
179.10620	1.5
183.11684	0.7
185.13184	2.9
187.14841	0.6
191.14153	0.4
193.12262	1.7
197.13303	0.7
199.14754	6.5
201.12805	0.4
201.16325	0.5
203.10649	0.4
205.12306	1.4
207.13828	1.5
211.14734	0.7
213.16328	4.5
215.18025	0.8
225.16338	0.6
227.14096	0.5
227.17905	3.7
229.19472	5.0
239.17789	0.8
245.15399	1.5
255.21002	32.8
264.07526	0.4
265.19461	0.4
271.07977	0.5
273.22049	6.0
275.27036	0.4
281.22705	0.6
282.22980	0.6
283.20499	6.0
293.28296	0.5
294.28766	0.8
295.29208	0.4
299.23657	1.7
300.23993	0.5
301.21548	50.9
302.21890	0.8
311.29553	0.4
313.21756	0.8
317.24744	1.9
318.24948	1.5
319.22607	18.2
325.11023	2.8
329.30334	0.7
330.30652	0.7
331.22644	1.7
445.25748	0.5
463.26926	2.0
481.27786	2.0
528.71875	0.4
534.06787	0.5
566.39935	0.4
660.35852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
57.03420	7.1
59.04985	1.3
59.52547	0.6
67.05492	4.0
68.34478	0.7
69.03410	21.5
69.07052	1.2
71.04980	10.5
76.82675	0.6
79.05492	3.2
81.07040	7.2
83.04977	0.8
85.02892	18.1
85.06516	11.0
85.55943	0.8
87.04449	14.1
91.05455	4.4
93.07016	9.5
95.04984	0.8
95.08579	5.5
97.02869	19.3
99.04448	0.8
105.06990	10.3
107.08572	10.0
109.02851	0.7
109.10167	4.1
111.08059	5.2
113.05991	1.1
115.03901	13.8
117.06998	3.5
119.08560	8.8
121.10137	4.8
123.08025	1.2
127.03934	1.2
129.06961	1.3
131.08536	7.7
131.27081	0.8
133.04919	10.1
133.10095	7.4
135.11690	1.6
137.09692	0.9
141.06956	1.6
142.07756	1.4
143.08510	8.3
145.10100	17.3
147.11673	3.1
149.09622	1.1
149.13214	0.9
150.07562	2.7
155.08528	6.6
157.10091	16.4
159.11658	11.5
161.13199	5.5
167.08508	1.0
169.10109	7.1
171.11607	7.1
173.13222	3.5
175.11182	5.7
175.14830	1.3
181.10106	3.8
182.10783	1.4
183.11682	6.8
185.13229	4.2
187.11142	3.4
189.12781	0.9
193.10121	1.0
195.11646	7.6
196.12407	1.2
197.13269	5.9
199.14862	1.5
201.12726	1.7
201.16383	9.6
207.11545	1.1
209.13283	5.1
210.14041	1.1
211.14761	9.1
215.14398	1.6
221.13197	3.6
223.14771	3.0
225.16400	7.4
235.14778	1.5
237.16331	6.9
238.17058	0.8
239.14322	0.9
243.17354	0.8
251.17905	5.8
252.18666	3.9
253.15779	1.1
253.19446	7.6
262.16934	0.8
267.17355	1.0
267.20862	1.1
271.20569	3.0
277.19394	5.2
280.18182	4.4
295.20502	100.0
296.20770	1.2
313.21527	51.1
331.22552	14.5
349.23672	1.5
475.26718	3.8
493.27780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47860	0.6
51.94268	0.5
53.03935	3.2
55.01849	0.9
55.05503	3.2
56.09327	0.5
57.03415	1.5
64.69468	0.6
67.05492	16.0
69.03420	11.7
69.03767	1.0
69.07043	1.2
70.60983	0.6
71.04974	3.0
73.02895	0.6
79.05470	2.5
81.03398	22.5
81.07042	11.4
83.04965	4.6
83.08562	1.0
84.46759	0.6
85.02891	11.1
86.09669	0.7
87.04461	1.0
91.05453	3.4
93.07043	5.5
95.04938	5.7
95.08580	9.4
97.02866	8.9
97.06521	1.1
97.16383	0.7
99.04414	3.9
99.08048	1.0
99.59580	0.6
101.05993	1.5
105.06985	0.9
107.04946	1.1
107.08581	4.6
109.02868	24.5
109.06504	3.8
109.10142	55.9
110.07077	0.9
111.04441	2.8
111.08032	0.9
115.03883	0.7
117.03358	0.8
117.07031	0.7
119.04863	0.6
119.08579	3.2
121.02824	2.6
121.06456	1.3
121.10074	1.2
123.04444	0.8
123.08050	0.8
124.82092	0.7
125.02363	0.6
125.05981	2.5
127.03897	20.9
131.08566	1.0
133.10095	2.5
135.33467	0.6
137.05960	3.4
137.09593	100.0
139.03961	0.7
141.05484	0.9
145.02826	0.9
145.04898	0.8
147.04388	1.4
147.08076	1.5
149.05965	1.1
151.03893	20.3
151.05028	1.3
151.11192	1.0
155.10614	6.8
161.05968	1.1
163.03900	1.5
163.07527	0.7
165.09077	59.7
167.06941	1.4
169.04927	1.1
177.05417	2.6
179.03302	0.7
181.04956	3.4
183.10184	4.2
201.11136	5.1
207.06476	0.8
209.07941	0.7
213.84180	0.6
235.06044	1.2
291.12283	0.9
309.13367	9.2
315.22693	0.7
327.14325	11.0
345.15262	1.5
351.14255	0.7
369.15598	1.2
370.58472	0.6
375.65268	0.7
387.16928	0.7
434.37445	0.6
435.16367	2.7
445.20789	0.9
453.17535	11.8
471.18588	15.7
489.19482	11.3
553.21600	0.8
571.23706	0.9
589.24451	2.7
632.26099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01860	2.0
55.05509	4.3
57.03429	7.9
57.07061	2.4
59.04984	0.8
61.02681	0.5
61.02921	8.8
64.33414	0.5
65.03950	0.6
67.05492	7.4
69.03419	25.0
69.07054	8.9
71.04971	3.8
71.08624	0.6
73.02886	2.4
79.05476	5.9
81.03398	8.1
81.07037	21.7
82.07389	0.8
83.01284	0.5
83.08612	4.6
84.63793	0.5
85.02889	100.0
85.06533	0.9
87.04443	2.2
88.32946	0.4
90.75333	0.5
91.03944	3.6
91.05470	5.8
92.08971	5.1
93.07024	10.6
95.04942	0.9
95.08582	21.8
96.08916	0.7
97.02872	29.3
97.06491	0.6
97.10159	4.4
99.04433	4.1
99.08061	0.7
101.02359	0.7
103.03922	0.9
105.07014	11.4
107.04984	1.7
107.08578	14.7
108.04411	0.8
109.02877	9.6
109.10139	15.5
110.10534	0.8
111.11700	1.2
115.03899	2.5
116.30066	0.5
117.07011	3.0
119.08560	22.3
121.10119	8.1
122.39258	0.6
123.08052	0.6
123.11689	6.7
125.13209	1.1
127.03884	20.3
129.06967	1.2
131.08540	6.0
132.50122	0.5
133.10097	15.5
134.05946	1.2
135.11638	6.5
137.05945	0.7
137.13225	4.6
138.09131	0.7
138.13550	0.7
143.08557	5.8
145.04929	22.5
145.10098	9.8
147.11661	12.8
149.13255	7.4
151.14815	1.1
155.08583	0.9
157.10080	5.5
159.11653	9.1
160.05164	0.5
161.13232	7.0
163.05983	5.2
163.14777	2.8
165.09076	1.1
167.06985	1.1
169.10152	1.1
171.11635	8.0
173.13220	21.1
175.07521	0.7
175.14815	3.3
177.16350	0.7
178.04947	2.6
181.04900	4.2
183.11697	1.2
185.13251	8.5
187.14784	12.0
189.12701	1.0
189.16461	1.9
197.13277	2.9
198.13741	0.5
199.14754	6.5
201.16299	2.2
203.14352	1.2
205.15898	0.7
211.14723	3.8
213.16357	2.4
215.17950	0.6
225.16385	3.3
225.34586	0.7
227.17935	0.6
235.09581	0.6
239.17859	1.8
241.19484	3.0
253.09911	0.6
253.19383	0.8
255.21085	3.9
257.22644	1.0
266.20197	0.8
271.10669	1.0
272.11533	0.8
273.22220	0.6
281.22565	25.6
282.23209	0.7
285.12256	2.2
289.09103	0.6
293.28290	2.7
294.28583	1.0
299.23627	48.9
300.24277	0.5
301.11884	2.7
303.13440	1.1
311.29642	3.7
312.29596	0.7
317.24707	50.5
335.25739	14.1
344.44431	0.6
479.29630	3.2
571.25342	2.1
597.23132	0.8
615.24182	1.0
641.33899	0.8
659.36255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	71.1
61.23107	4.4
67.05482	77.9
69.07043	41.6
69.74163	4.9
71.79391	5.1
76.41312	4.9
79.05462	68.1
81.07040	100.0
83.08614	39.7
85.06569	6.5
87.86040	4.9
88.94450	5.6
89.06003	26.7
90.09142	4.6
90.91212	4.9
91.05444	32.5
93.06999	57.4
95.08573	62.2
95.87025	5.4
97.10138	64.3
99.08021	4.6
105.07001	27.1
107.08572	38.4
109.10146	43.2
117.07000	9.3
119.08581	26.4
121.10143	41.8
125.09586	34.1
131.08539	12.3
133.10101	21.7
134.78331	5.0
135.08031	7.2
135.11693	23.2
137.09776	7.0
139.11131	10.5
145.10080	9.4
149.09604	5.9
153.09065	12.5
161.13173	7.9
169.10202	7.3
173.13156	10.3
189.11148	27.6
198.66675	6.4
261.22009	8.6
264.95590	5.9
279.23053	12.2
297.24219	10.6
311.22598	5.4
345.24011	5.7
413.30157	7.2
417.33603	7.5
431.31329	27.8
435.34003	16.9
449.32349	12.7
453.35544	7.6
569.41547	6.1
587.42725	48.5
605.43591	21.8
623.45502	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01859	2.5
55.05497	2.2
57.03427	6.8
58.10709	0.4
58.85723	0.5
61.02912	10.3
67.05499	4.2
67.05787	0.4
67.53183	0.4
69.03066	0.9
69.03413	18.5
69.07033	0.9
71.04977	4.1
72.17983	0.4
73.02900	4.5
79.05480	4.0
81.03402	6.7
81.07034	10.5
85.02885	100.0
85.06525	15.6
86.59180	0.5
87.04440	2.4
91.03933	4.3
91.05446	4.3
93.07014	9.8
95.08571	8.9
97.02867	26.7
99.04420	3.3
100.73949	0.4
105.07005	10.2
107.08575	8.1
109.02862	8.4
109.10139	5.5
112.44955	0.5
115.03941	0.5
117.07011	0.9
119.08535	9.0
121.10118	6.3
123.08044	0.5
123.11691	1.1
127.03890	18.9
129.06992	2.2
131.08542	13.6
133.10104	9.2
133.71252	0.5
135.11671	6.2
137.09616	1.0
143.08559	4.0
145.04932	24.6
145.10056	5.8
147.11662	12.3
149.13220	15.9
149.14310	0.7
151.11185	2.1
155.08543	0.8
157.10114	4.1
158.65514	0.5
159.11659	13.4
161.13217	27.7
161.14532	1.0
163.05980	10.5
163.11147	0.5
165.12706	0.7
169.10114	2.2
171.11621	9.3
173.13159	5.4
175.14755	8.4
183.11624	0.7
185.13263	6.2
187.14790	1.2
189.12737	3.9
197.13232	3.1
199.14746	6.9
201.16197	0.8
203.14304	0.6
211.14793	5.0
213.16321	1.2
215.17868	1.1
215.86673	0.4
217.15828	1.1
225.16322	6.1
239.17897	2.1
241.19514	1.1
253.19484	0.6
255.21028	2.7
257.22598	0.9
281.22565	39.8
288.58984	0.5
289.09079	0.5
299.23618	51.0
317.24673	4.8
325.11252	1.1
408.26663	0.5
430.42816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08098	0.3
52.58434	0.3
52.84974	0.3
53.00047	0.3
53.00292	0.5
53.50797	0.3
55.05508	0.6
55.37683	0.3
57.06780	0.4
57.07067	12.0
57.31606	0.3
58.06594	3.5
61.84010	0.4
65.03922	0.6
69.07036	0.5
70.06576	21.0
71.08627	3.2
72.08132	0.5
76.56538	0.4
84.08119	0.4
85.10246	0.5
86.34052	0.4
88.07611	26.6
92.08677	0.6
92.09184	1.1
96.32280	0.4
98.08330	0.4
102.09154	18.4
121.02888	0.4
147.04417	0.6
149.02321	60.8
175.03889	1.6
177.01733	0.5
177.05478	0.9
193.04926	68.3
209.61378	0.5
212.23724	1.6
219.06599	1.9
225.05464	0.9
237.07520	18.6
243.11591	0.4
256.26300	46.9
269.04428	2.0
297.03796	4.0
300.28970	0.8
313.06943	3.5
341.06497	12.1
359.07565	7.3
368.06232	0.5
385.09109	24.3
429.11703	29.5
493.32794	1.6
494.33603	0.5
514.68628	0.5
552.14227	0.5
658.35767	100.0
659.35864	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	658.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15805	0.2
53.03908	0.4
55.01841	0.5
55.05484	0.7
57.03429	4.2
59.04970	0.4
61.02888	1.3
67.05489	2.5
69.03413	14.3
69.07020	2.0
70.06530	0.3
71.04955	0.6
73.02882	0.5
79.05476	2.3
79.05824	0.3
79.36268	0.3
80.95092	0.3
81.03387	1.5
81.06610	0.4
81.07034	7.9
82.16056	0.3
83.04950	0.5
83.08573	1.7
85.02886	16.5
85.06488	1.2
87.04446	7.3
90.09789	0.3
91.03908	0.3
91.05450	2.4
93.07019	5.9
95.04924	0.7
95.08578	7.4
97.02261	0.5
97.02865	9.6
97.06508	2.4
99.04398	0.5
105.07008	7.5
107.04959	0.5
107.08574	7.6
109.02839	0.5
109.06448	1.9
109.10142	3.4
110.04412	0.3
111.04404	0.3
111.08020	0.4
115.03239	0.3
115.03901	5.1
117.06996	2.2
118.30043	0.3
119.08557	6.7
121.06448	1.6
121.09367	0.3
121.10129	4.0
123.08062	2.8
123.11643	1.5
125.39413	0.3
127.03889	2.0
129.06992	0.7
131.08548	5.8
133.04927	4.1
133.06433	0.6
133.10103	5.3
135.07956	0.6
135.11629	2.3
137.06007	0.3
137.09625	0.3
141.06902	0.5
143.08545	4.9
145.04929	1.0
145.10100	8.4
146.10809	0.5
147.08003	0.7
147.11661	5.4
149.09535	0.3
149.13274	2.2
151.07513	2.0
155.08488	2.2
157.08835	0.3
157.10103	7.7
159.11665	24.7
161.09595	0.7
161.13229	5.3
163.07480	0.7
163.11185	0.5
165.09042	0.4
167.06972	0.3
167.08516	0.3
169.10107	3.4
171.11655	5.4
173.09563	0.6
173.13217	11.0
175.11116	1.3
175.14761	1.7
177.09155	0.4
177.12657	0.4
181.10100	1.1
183.11682	6.9
185.09520	0.4
185.13200	4.1
187.11081	0.5
187.14732	2.1
189.12714	0.5
189.16309	0.3
195.10043	0.4
195.11647	2.4
197.13229	4.8
199.14775	3.3
201.08945	0.4
201.12766	2.3
201.16307	5.2
203.10588	1.3
203.14246	1.6
209.13222	6.0
211.14812	2.6
213.12848	0.6
213.16347	12.8
215.10619	0.6
215.14270	1.4
215.17868	0.4
217.12083	0.4
217.15840	0.4
223.14780	4.3
225.16339	21.3
227.14243	3.0
227.17818	0.6
229.12213	0.4
229.15878	1.3
231.17427	1.1
236.15544	0.3
237.16234	0.5
239.17865	2.0
241.15813	7.0
241.19429	0.6
249.16356	1.2
251.17946	3.1
253.16676	0.5
253.19450	11.3
254.20172	1.8
254.36380	0.3
255.13815	0.5
255.18176	0.6
255.21004	19.2
259.16891	0.5
265.19452	15.6
267.17343	1.8
269.18878	0.7
271.20502	20.8
275.17850	0.4
277.17969	1.1
283.20499	94.6
284.20953	1.2
293.18860	4.2
297.21967	0.6
298.22287	0.4
301.21548	53.7
302.21899	0.4
309.27762	0.4
311.19992	18.3
315.23102	0.6
316.23419	0.5
329.21036	31.2
347.22098	100.0
348.22647	0.5
479.26480	0.4
509.27316	6.9
657.33820	0.7
658.34338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01859	3.0
55.05499	5.9
57.03428	8.3
57.03699	0.7
57.07060	1.8
59.04977	0.6
60.94381	0.5
61.02912	10.3
65.03927	0.5
67.05494	8.4
69.03412	26.0
69.07053	7.2
71.01324	0.8
71.04974	4.0
73.02920	3.3
79.05479	6.4
81.03399	10.8
81.07034	28.9
83.01353	0.5
83.04961	1.0
83.08591	4.1
85.02885	100.0
85.06530	2.1
87.04458	3.7
91.03918	2.5
91.05463	6.3
93.07014	10.1
95.04939	1.1
95.08582	17.0
97.02864	33.1
97.06507	2.1
97.10158	1.1
99.04434	5.7
99.08052	0.6
103.03947	0.7
105.07008	12.7
107.04922	0.6
107.08570	11.8
109.02856	12.5
109.06501	2.6
109.10133	13.9
111.08059	0.8
115.03910	2.8
117.03341	0.7
117.06975	3.7
119.08543	12.5
121.06458	0.6
121.10101	8.1
123.08038	1.9
123.11720	3.4
127.03895	20.6
128.06177	0.9
129.06970	3.1
131.08542	7.8
133.04955	0.7
133.06400	0.5
133.10095	7.6
135.04404	0.9
135.08011	1.9
135.11652	5.6
136.64268	0.5
137.09595	9.2
137.13223	0.9
139.11188	0.7
141.06996	1.9
142.07712	1.1
142.08684	1.0
143.08521	7.1
145.04930	22.3
145.06564	0.6
145.10092	21.2
147.08014	0.7
147.11652	6.8
149.13242	3.3
151.11145	2.1
153.12688	0.5
155.08524	5.3
156.09322	0.7
157.10092	10.2
159.07999	0.5
159.11667	12.6
161.13211	5.7
163.03870	8.0
163.05951	4.8
163.11183	0.9
163.14821	1.9
165.09120	1.9
167.07100	0.9
167.08504	1.9
168.97255	0.4
169.10069	6.1
171.11658	9.1
173.09576	0.6
173.13205	5.7
175.11108	0.8
175.14803	1.9
181.10081	1.0
182.10860	1.9
183.11694	4.7
185.13254	4.4
187.11176	1.0
187.14786	2.7
189.12784	2.0
193.10159	0.5
194.10902	0.7
195.11655	3.5
196.12392	0.5
197.13225	7.3
199.14816	6.8
201.12717	0.9
201.16440	0.6
203.14305	2.1
208.12468	0.5
209.13252	5.3
211.14793	4.0
213.16454	3.0
215.14261	1.0
217.15752	1.1
223.14763	8.6
223.20444	0.7
225.16331	2.1
227.17950	1.1
235.14836	1.9
237.16264	5.6
239.17891	4.4
241.15753	0.8
249.16338	0.7
250.17168	0.7
251.17917	0.8
253.15672	0.5
253.19484	3.9
254.20375	1.0
255.17406	2.5
255.21062	6.4
263.08466	0.5
264.18695	0.7
269.22717	2.0
271.20544	0.7
279.20990	22.6
291.26755	1.2
297.22064	49.9
309.27924	2.4
315.23090	41.9
327.29022	1.0
328.19455	0.5
329.21140	0.8
333.24207	9.2
335.09509	5.5
371.97507	0.5
477.28448	3.6
561.39221	0.5
571.27130	2.5
657.34357	18.2
658.34430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.7
53.03935	3.1
55.01854	2.9
55.05503	4.8
57.03427	9.0
57.07053	1.6
57.53885	0.4
59.04988	0.6
59.68774	0.4
61.02917	10.1
67.05488	9.6
69.03413	26.5
69.07054	8.5
71.04980	4.8
71.08617	0.4
73.02893	3.6
79.05470	7.8
80.85371	0.4
81.03399	10.3
81.07035	29.9
83.01313	0.8
83.04964	2.1
83.08604	4.5
85.02886	100.0
85.06538	2.9
87.04455	2.9
91.03934	3.0
91.05448	8.0
93.07014	11.7
94.23971	0.5
95.04939	2.0
95.08579	19.1
95.09190	0.8
97.02869	27.6
97.06514	3.3
97.10165	1.8
99.04416	4.6
99.08084	1.0
99.98037	0.4
101.02349	0.9
103.03922	0.6
105.07002	12.8
105.07648	0.7
107.08580	11.8
109.02861	10.9
109.06501	3.4
109.10126	14.1
111.08083	1.8
111.11704	0.8
115.03914	2.6
117.06995	3.1
119.08549	13.0
121.06482	0.8
121.10107	7.6
123.08055	2.4
123.11697	4.6
124.36559	0.4
125.09634	0.6
127.03883	18.9
127.04801	0.7
128.06227	0.9
129.07025	2.6
130.07797	0.8
131.08536	7.6
133.10092	7.5
135.08037	0.8
135.11646	6.7
136.11998	0.4
137.09593	7.4
137.13245	2.1
141.06967	2.2
142.07697	1.0
142.08629	2.1
143.08502	7.5
144.09329	0.6
145.02872	0.8
145.04932	17.9
145.10098	22.7
147.08092	0.6
147.11658	7.9
149.13237	3.4
151.11244	0.8
155.08534	5.6
156.09396	0.5
157.10069	9.7
157.11200	0.6
159.08119	0.8
159.11674	12.6
161.09605	0.6
161.13213	4.8
163.03905	2.8
163.05920	4.5
163.11110	0.6
163.14732	1.5
165.07016	0.7
165.09134	0.9
168.09256	0.5
169.10074	6.9
171.11641	8.7
173.13226	7.2
175.11208	0.6
175.14813	2.5
177.05318	0.6
177.12791	0.7
179.08650	0.5
181.10135	3.1
182.10880	0.7
183.11691	5.0
184.12485	0.6
185.13225	5.4
187.11197	0.5
187.13354	0.5
187.14769	3.3
189.07086	0.5
189.12785	0.7
189.16335	0.6
195.11655	3.3
196.12547	0.9
197.13219	6.8
197.14615	0.4
198.13992	0.5
199.14780	5.0
201.12743	1.0
201.16438	1.0
203.14267	1.0
207.11732	0.7
208.12462	0.9
209.13231	6.5
211.14830	4.0
213.16370	3.0
215.14230	0.9
217.15819	0.9
223.14752	5.9
224.15536	0.6
225.16447	2.0
227.18065	1.1
229.15807	0.6
235.14703	1.0
237.16408	5.5
239.17848	4.8
241.21646	0.6
249.16406	0.7
250.17227	0.5
251.17863	0.9
253.19446	3.6
255.17461	2.2
255.20908	4.3
264.18594	0.9
269.22614	1.9
279.16406	0.6
279.20996	19.9
279.23828	0.9
291.26767	2.0
297.22043	48.2
298.22372	0.6
309.27704	3.8
311.20142	0.7
315.23102	39.9
327.28897	1.0
329.21173	0.9
333.24207	8.7
335.09439	6.4
345.29984	0.5
477.28516	1.9
571.27179	2.4
657.34448	24.2
658.34125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01859	3.0
55.05499	5.9
57.03428	8.3
57.03699	0.7
57.07060	1.8
59.04977	0.6
60.94381	0.5
61.02912	10.3
65.03927	0.5
67.05494	8.4
69.03412	26.0
69.07053	7.2
71.01324	0.8
71.04974	4.0
73.02920	3.3
79.05479	6.4
81.03399	10.8
81.07034	28.9
83.01353	0.5
83.04961	1.0
83.08591	4.1
85.02885	100.0
85.06530	2.1
87.04458	3.7
91.03918	2.5
91.05463	6.3
93.07014	10.1
95.04939	1.1
95.08582	17.0
97.02864	33.1
97.06507	2.1
97.10158	1.1
99.04434	5.7
99.08052	0.6
103.03947	0.7
105.07008	12.7
107.04922	0.6
107.08570	11.8
109.02856	12.5
109.06501	2.6
109.10133	13.9
111.08059	0.8
115.03910	2.8
117.03341	0.7
117.06975	3.7
119.08543	12.5
121.06458	0.6
121.10101	8.1
123.08038	1.9
123.11720	3.4
127.03895	20.6
128.06177	0.9
129.06970	3.1
131.08542	7.8
133.04955	0.7
133.06400	0.5
133.10095	7.6
135.04404	0.9
135.08011	1.9
135.11652	5.6
136.64268	0.5
137.09595	9.2
137.13223	0.9
139.11188	0.7
141.06996	1.9
142.07712	1.1
142.08684	1.0
143.08521	7.1
145.04930	22.3
145.06564	0.6
145.10092	21.2
147.08014	0.7
147.11652	6.8
149.13242	3.3
151.11145	2.1
153.12688	0.5
155.08524	5.3
156.09322	0.7
157.10092	10.2
159.07999	0.5
159.11667	12.6
161.13211	5.7
163.03870	8.0
163.05951	4.8
163.11183	0.9
163.14821	1.9
165.09120	1.9
167.07100	0.9
167.08504	1.9
168.97255	0.4
169.10069	6.1
171.11658	9.1
173.09576	0.6
173.13205	5.7
175.11108	0.8
175.14803	1.9
181.10081	1.0
182.10860	1.9
183.11694	4.7
185.13254	4.4
187.11176	1.0
187.14786	2.7
189.12784	2.0
193.10159	0.5
194.10902	0.7
195.11655	3.5
196.12392	0.5
197.13225	7.3
199.14816	6.8
201.12717	0.9
201.16440	0.6
203.14305	2.1
208.12468	0.5
209.13252	5.3
211.14793	4.0
213.16454	3.0
215.14261	1.0
217.15752	1.1
223.14763	8.6
223.20444	0.7
225.16331	2.1
227.17950	1.1
235.14836	1.9
237.16264	5.6
239.17891	4.4
241.15753	0.8
249.16338	0.7
250.17168	0.7
251.17917	0.8
253.15672	0.5
253.19484	3.9
254.20375	1.0
255.17406	2.5
255.21062	6.4
263.08466	0.5
264.18695	0.7
269.22717	2.0
271.20544	0.7
279.20990	22.6
291.26755	1.2
297.22064	49.9
309.27924	2.4
315.23090	41.9
327.29022	1.0
328.19455	0.5
329.21140	0.8
333.24207	9.2
335.09509	5.5
371.97507	0.5
477.28448	3.6
561.39221	0.5
571.27130	2.5
657.34357	18.2
658.34430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01858	1.2
55.05258	1.4
55.05501	24.0
57.03429	9.2
57.07067	13.4
59.04987	1.9
67.05491	32.1
69.03410	22.2
69.07050	41.5
71.04971	5.8
71.08598	6.6
75.04420	0.9
79.05473	21.6
81.03388	2.3
81.07037	100.0
82.06554	1.4
82.07349	1.0
83.04940	2.0
83.08599	27.5
84.75472	0.9
85.02884	18.4
85.06525	7.6
85.10142	1.9
87.04453	13.0
91.05454	10.7
93.07019	44.2
95.04931	4.8
95.08578	93.3
96.08920	1.3
97.02867	16.1
97.06490	5.3
97.10140	15.2
99.08076	2.5
105.06999	17.6
107.08566	36.6
109.06501	1.6
109.10138	60.3
111.08063	4.2
111.11700	10.0
113.06004	1.1
115.03881	6.9
118.01022	1.1
119.08568	15.6
121.10124	28.4
123.08008	2.1
123.11683	26.9
125.13245	1.7
127.11187	1.5
131.08475	1.1
133.04910	4.7
133.10106	17.2
135.11667	24.2
137.05991	1.3
137.09593	4.1
137.13243	10.6
139.11143	2.3
142.08638	9.0
145.04941	1.1
145.10027	1.5
147.11652	16.6
149.13239	29.4
151.14738	5.2
153.12706	1.9
159.11647	1.0
161.13211	11.2
163.14790	16.0
165.12776	1.7
165.16280	2.0
171.11633	1.2
175.14822	5.0
177.16322	7.0
179.17870	1.4
189.16417	1.9
191.17935	4.6
203.17894	1.7
205.19547	1.7
211.81862	1.0
217.19487	2.2
247.24126	3.6
261.25610	1.4
265.25214	1.2
273.25684	20.3
279.26797	11.2
291.26767	40.1
297.27890	6.8
309.24301	1.7
309.27814	43.1
327.28745	11.1
345.29861	14.7
493.65900	1.1
656.32104	4.7
657.34363	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	656.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.0
53.03933	1.0
53.80285	0.4
55.01858	1.0
55.05502	20.2
57.03426	11.6
57.07069	20.4
59.04990	3.2
61.02917	1.1
67.05488	34.1
69.03415	34.0
69.03697	0.6
69.03799	0.8
69.07053	54.0
71.04976	4.0
71.08614	11.6
73.02920	0.9
79.05473	21.3
81.03400	4.9
81.07037	87.4
83.04963	4.5
83.08607	29.0
85.02888	28.3
85.06512	1.4
85.10167	5.4
87.04450	20.1
91.05458	17.7
93.06141	0.8
93.07021	54.4
95.04952	7.0
95.08582	100.0
97.02866	27.5
97.06493	2.4
97.10149	16.0
99.04438	1.3
99.08064	0.8
105.07011	30.5
107.08577	38.9
109.02842	2.4
109.06486	3.3
109.10140	55.4
111.08054	3.4
111.11715	8.4
115.03912	22.8
117.07063	1.0
119.08555	20.4
121.10118	35.2
123.08051	4.2
123.11683	30.2
125.09588	1.1
125.13268	3.3
127.03883	4.4
127.07540	0.7
129.76254	0.5
131.08557	1.3
133.04950	16.8
133.10101	18.7
135.11673	28.3
137.05957	4.0
137.09586	5.4
137.13239	13.5
139.11177	3.4
142.08615	3.1
145.04947	3.7
147.11664	25.6
149.13239	21.6
151.11131	1.3
151.14774	5.8
153.12721	1.0
159.11609	2.2
161.13239	15.6
163.14796	13.6
165.12730	6.5
165.16327	4.3
167.14224	0.9
171.11723	0.6
175.14758	5.1
177.16373	6.9
179.14308	0.9
179.17918	2.2
183.13837	4.2
189.16331	6.5
191.17955	4.9
193.19524	1.2
203.17891	6.0
205.19469	0.7
209.18999	1.0
217.19487	8.8
231.21129	0.7
233.22600	1.1
241.06985	0.9
247.24155	3.7
259.08124	1.2
260.46991	0.7
261.25723	0.9
273.25702	40.7
277.08954	0.8
279.26569	1.0
291.26752	47.6
295.10052	4.1
297.28003	1.2
309.24261	1.3
309.27817	27.6
327.28888	18.3
387.28616	0.8
393.29816	0.9
489.34305	0.7
549.16302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07584	0.6
53.00294	1.1
53.03925	0.6
55.01854	2.0
55.05503	19.4
57.03425	7.0
57.07063	20.4
59.04976	2.9
61.02929	0.7
61.59022	0.5
65.03939	0.7
67.05490	33.6
69.03414	23.7
69.07050	50.5
69.14991	0.5
71.04966	3.2
71.08604	11.0
73.06560	0.5
75.04452	0.5
79.05052	0.9
79.05474	21.1
79.33365	0.5
81.02958	0.6
81.03374	4.0
81.07034	95.3
82.06559	0.9
83.04967	3.1
83.08601	26.9
85.02886	21.1
85.06515	3.6
85.06965	0.5
85.10161	3.7
86.09723	0.5
87.04454	15.0
91.05455	14.6
93.07015	48.6
95.04940	4.9
95.08580	100.0
96.08908	0.7
97.02866	18.2
97.06529	4.5
97.10151	14.9
99.04433	0.6
99.08079	0.8
99.83727	0.5
100.07608	0.6
103.03939	0.7
105.04575	0.6
105.07009	26.9
107.08572	43.5
108.08883	0.6
109.02896	1.0
109.06516	3.3
109.10136	55.0
111.08061	4.6
111.11698	14.1
113.05996	0.8
115.03899	9.8
117.06987	1.3
119.08552	21.4
121.10117	36.2
123.04446	0.6
123.08054	3.6
123.11679	46.2
125.09677	1.1
125.13248	3.0
127.03830	1.3
127.07488	0.7
127.11170	2.2
131.08554	1.2
133.04947	6.1
133.10101	25.5
135.10646	1.0
135.11667	26.4
137.09615	6.5
137.13216	12.6
139.11166	3.4
142.08626	11.1
143.08508	0.8
145.04918	2.2
145.10065	0.9
147.11653	26.8
149.13232	20.2
151.11165	2.5
151.14786	6.2
153.12735	5.0
155.10661	1.4
155.14296	1.1
161.13228	16.0
163.14777	14.5
165.12691	7.1
165.16373	3.8
169.12193	0.6
169.15666	0.7
173.13362	0.7
175.14752	7.6
177.16342	6.2
179.14282	1.3
179.17909	1.4
181.15959	0.6
183.13747	0.9
189.16393	4.9
191.17950	5.1
193.19493	0.9
203.17921	4.4
205.19499	0.9
217.19435	8.5
219.21065	0.7
231.21074	1.2
243.36964	0.6
247.24146	4.1
261.25739	3.2
273.25696	36.7
274.26328	0.6
279.26706	5.9
291.23465	0.9
291.26755	37.5
297.27747	4.4
309.27817	39.3
327.28876	17.4
345.29922	17.5
412.79022	0.7
512.29688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77044	0.2
53.40634	0.2
55.01865	0.4
55.05309	0.2
55.05504	3.4
57.03417	1.1
57.07067	2.3
59.04990	2.5
61.02905	0.2
61.34623	0.2
66.21218	0.2
67.05486	6.5
68.89310	0.2
69.03416	3.3
69.07052	10.8
70.06580	2.0
71.04975	4.1
71.08599	0.4
73.02890	1.1
73.06544	0.2
79.05483	1.8
81.03388	0.6
81.07037	13.5
82.06564	13.7
83.04965	0.4
83.07338	0.4
83.08610	5.3
84.04487	0.5
85.02893	2.8
85.06532	2.8
87.04439	1.5
89.05994	1.4
91.05438	1.4
92.09291	0.6
93.07014	5.8
95.04943	2.4
95.08581	16.1
97.02864	1.9
97.06500	1.2
97.10152	2.1
98.02686	0.3
99.04475	0.3
99.08063	1.1
100.07599	5.9
102.05531	0.5
105.07021	3.1
105.65238	0.3
107.08576	6.8
109.06483	0.4
109.10136	8.9
111.08047	3.4
111.11688	2.4
111.65092	0.2
113.05995	3.6
115.03898	0.4
119.04836	0.2
119.08556	2.3
121.06458	0.3
121.10115	4.2
123.08048	0.3
123.10782	0.3
123.11678	7.0
123.12542	0.5
125.09604	1.0
125.13212	0.3
127.03879	0.4
131.08542	1.2
133.04962	0.9
133.06517	0.2
133.10109	1.7
135.11664	3.4
137.05980	1.1
137.09576	0.4
137.13225	4.4
139.11243	0.4
140.07021	0.5
142.08614	100.0
143.08742	0.5
145.10092	1.2
147.11664	1.7
149.13210	4.1
151.07520	0.5
151.11121	0.2
151.14771	0.5
153.12694	0.5
154.95291	0.2
155.08604	0.3
157.10103	0.6
159.11668	0.4
161.13222	1.4
163.14821	2.1
165.09082	0.6
165.16386	0.5
167.14268	0.3
169.93864	0.3
171.11670	0.3
172.68704	0.3
173.13277	0.2
175.14774	0.5
177.16336	1.4
180.52335	0.2
189.16322	1.0
191.17931	1.5
203.10699	0.4
203.17958	1.0
205.19418	0.4
211.36998	0.3
217.19521	0.5
224.27115	0.3
251.23499	0.4
256.13370	0.5
261.25720	2.5
273.25708	3.2
279.26758	3.8
291.26764	7.4
295.10117	0.3
297.61557	0.2
308.26498	0.3
309.27820	11.3
316.15234	0.4
327.28851	3.3
345.29776	0.4
390.27866	0.4
434.26935	2.8
452.27731	1.1
494.28796	3.8
512.22784	0.4
512.29968	8.2
570.17371	0.2
596.36230	0.3
615.31390	3.0
651.53558	0.3
655.32239	0.3
656.38116	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	656.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77044	0.2
53.40634	0.2
55.01865	0.4
55.05309	0.2
55.05504	3.4
57.03417	1.1
57.07067	2.3
59.04990	2.5
61.02905	0.2
61.34623	0.2
66.21218	0.2
67.05486	6.5
68.89310	0.2
69.03416	3.3
69.07052	10.8
70.06580	2.0
71.04975	4.1
71.08599	0.4
73.02890	1.1
73.06544	0.2
79.05483	1.8
81.03388	0.6
81.07037	13.5
82.06564	13.7
83.04965	0.4
83.07338	0.4
83.08610	5.3
84.04487	0.5
85.02893	2.8
85.06532	2.8
87.04439	1.5
89.05994	1.4
91.05438	1.4
92.09291	0.6
93.07014	5.8
95.04943	2.4
95.08581	16.1
97.02864	1.9
97.06500	1.2
97.10152	2.1
98.02686	0.3
99.04475	0.3
99.08063	1.1
100.07599	5.9
102.05531	0.5
105.07021	3.1
105.65238	0.3
107.08576	6.8
109.06483	0.4
109.10136	8.9
111.08047	3.4
111.11688	2.4
111.65092	0.2
113.05995	3.6
115.03898	0.4
119.04836	0.2
119.08556	2.3
121.06458	0.3
121.10115	4.2
123.08048	0.3
123.10782	0.3
123.11678	7.0
123.12542	0.5
125.09604	1.0
125.13212	0.3
127.03879	0.4
131.08542	1.2
133.04962	0.9
133.06517	0.2
133.10109	1.7
135.11664	3.4
137.05980	1.1
137.09576	0.4
137.13225	4.4
139.11243	0.4
140.07021	0.5
142.08614	100.0
143.08742	0.5
145.10092	1.2
147.11664	1.7
149.13210	4.1
151.07520	0.5
151.11121	0.2
151.14771	0.5
153.12694	0.5
154.95291	0.2
155.08604	0.3
157.10103	0.6
159.11668	0.4
161.13222	1.4
163.14821	2.1
165.09082	0.6
165.16386	0.5
167.14268	0.3
169.93864	0.3
171.11670	0.3
172.68704	0.3
173.13277	0.2
175.14774	0.5
177.16336	1.4
180.52335	0.2
189.16322	1.0
191.17931	1.5
203.10699	0.4
203.17958	1.0
205.19418	0.4
211.36998	0.3
217.19521	0.5
224.27115	0.3
251.23499	0.4
256.13370	0.5
261.25720	2.5
273.25708	3.2
279.26758	3.8
291.26764	7.4
295.10117	0.3
297.61557	0.2
308.26498	0.3
309.27820	11.3
316.15234	0.4
327.28851	3.3
345.29776	0.4
390.27866	0.4
434.26935	2.8
452.27731	1.1
494.28796	3.8
512.22784	0.4
512.29968	8.2
570.17371	0.2
596.36230	0.3
615.31390	3.0
651.53558	0.3
655.32239	0.3
656.38116	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	656.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01850	0.4
55.05487	0.7
57.03173	0.1
57.03424	2.7
59.04977	0.6
60.12170	0.1
61.02902	0.7
64.87453	0.1
67.05495	1.3
67.05780	0.1
69.03411	7.1
69.07049	1.5
70.74076	0.1
71.01344	0.2
71.04958	0.8
73.02875	0.3
75.04446	0.2
79.05466	1.7
81.03394	0.7
81.06587	0.2
81.07035	4.1
82.07362	0.2
83.04972	2.2
83.08601	0.3
85.02884	8.2
85.06480	0.2
87.04443	3.6
91.03935	0.2
91.05446	1.6
93.07011	3.6
95.04934	0.6
95.08573	3.7
97.02872	4.6
97.05875	0.3
97.06503	8.4
99.04412	0.3
99.08027	0.1
105.07000	3.4
107.04934	0.6
107.08575	2.9
109.02858	0.3
109.06493	6.9
109.10149	1.8
111.08095	0.3
112.71587	0.1
115.03902	2.9
117.03371	0.2
117.06988	0.6
119.08551	3.6
121.06479	4.6
121.10075	1.5
123.08038	5.4
123.11681	0.9
124.11925	0.2
127.03889	0.8
128.06198	0.1
129.06989	0.9
131.08539	2.9
133.04958	2.0
133.06418	1.1
133.10101	2.7
134.10477	0.2
135.08005	1.0
135.11673	0.9
137.05945	0.3
137.09586	0.6
137.13298	0.2
141.06926	0.2
142.07750	0.2
143.08522	2.9
145.02844	0.6
145.04929	0.6
145.06392	0.2
145.10086	3.2
147.08006	1.8
147.11653	1.8
149.09575	2.0
149.13200	0.7
151.07509	1.2
151.11197	0.3
155.08516	1.0
156.09306	0.2
157.06427	0.2
157.10092	4.6
159.08023	0.8
159.11649	3.2
161.09558	1.1
161.13210	0.9
163.07610	0.2
163.11140	0.9
165.12744	0.2
167.08463	0.3
169.10049	1.7
171.08006	0.3
171.11668	2.4
173.09593	1.7
173.13194	1.5
175.11128	2.6
175.14771	0.3
177.05481	1.3
177.09053	0.7
177.12727	2.3
177.16235	0.2
181.10052	1.4
183.11629	1.6
185.09564	0.8
185.13235	2.8
187.11195	1.0
187.14822	0.8
189.12642	1.0
191.10658	0.2
193.10120	0.6
195.10092	0.9
195.11696	1.4
196.12404	0.2
197.09503	0.2
197.13208	1.4
199.11118	1.5
199.14749	0.8
201.12715	1.0
202.13541	0.3
203.10652	0.6
203.14313	0.3
207.11717	1.1
208.12444	0.3
209.13242	1.2
211.11188	0.3
211.14664	1.4
213.12718	1.5
213.16344	0.7
215.14369	0.7
217.12201	0.3
219.13760	0.3
221.13246	0.8
223.14777	4.9
225.12692	1.6
225.16306	0.3
227.14175	0.2
227.17886	0.2
229.15837	0.9
231.13799	1.3
235.14877	0.6
237.16356	0.9
239.14236	0.8
239.17924	0.8
241.15862	2.1
243.13580	0.3
243.17522	0.3
245.15460	0.2
247.14665	0.2
249.14558	0.2
249.16631	0.3
251.14249	0.8
251.17877	0.9
252.18718	0.3
253.15790	0.6
253.19427	1.0
254.16451	0.2
263.18018	2.6
265.15796	0.6
265.19495	0.2
266.16483	0.3
267.17389	1.5
269.15335	0.9
269.18948	1.8
271.20609	1.2
281.18930	12.1
282.95389	0.2
283.20526	0.2
287.16318	0.8
291.17545	1.3
299.19968	17.5
300.20367	0.3
307.26492	0.2
309.18423	6.1
309.21960	0.2
313.97385	0.2
317.21375	0.2
325.27246	0.3
327.19455	6.0
330.18167	0.3
343.28278	0.2
344.28714	0.3
345.20520	100.0
346.20831	1.9
437.73096	0.2
487.41318	0.2
507.25751	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	656.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51069	0.2
53.00296	0.5
53.03920	0.5
53.40244	0.2
55.01855	0.6
55.05500	1.0
57.03183	0.2
57.03428	5.1
57.44575	0.2
58.15789	0.2
59.04965	0.5
60.04505	0.3
61.02909	0.3
67.05493	2.3
69.03415	14.4
69.07053	1.9
71.04981	0.6
73.02894	0.4
75.04474	0.5
79.05470	3.0
81.03387	1.3
81.07044	5.2
81.68975	0.3
83.04962	5.5
83.08612	0.3
85.02889	13.9
85.06506	0.9
87.04449	8.1
91.05479	2.2
92.08870	0.3
93.07017	3.8
95.04933	1.1
95.08587	4.5
97.02867	9.8
97.06509	21.6
99.04427	1.6
101.05970	0.3
105.07011	4.1
107.04925	0.4
107.08560	3.4
109.02829	0.5
109.06492	10.3
109.10123	2.0
111.04429	2.4
111.08017	0.5
113.02331	0.3
113.05995	1.3
115.03160	0.3
115.03921	7.5
117.06994	1.4
119.08569	3.8
121.06474	3.6
121.10100	1.8
123.08048	8.9
123.11682	0.5
125.09518	0.3
127.03906	2.0
129.06949	1.1
131.08542	5.2
133.04944	4.9
133.06470	0.5
133.10121	3.0
135.08035	1.4
135.11641	1.4
137.09630	0.3
141.06955	0.6
142.07634	0.5
142.08649	0.4
143.08533	5.0
145.04875	1.0
145.06421	0.3
145.10115	4.7
147.08054	1.7
147.11668	2.4
149.05942	0.3
149.09612	2.0
149.13298	0.5
150.07555	1.3
155.08492	2.5
157.10112	6.2
159.07999	0.4
159.11650	3.5
161.09572	1.7
161.13228	1.0
163.11160	1.4
165.09067	0.5
167.08501	0.5
169.10071	3.1
171.07942	0.4
171.11642	3.6
173.09616	3.3
173.13138	2.0
175.11102	2.5
175.14767	1.0
177.12759	0.6
179.08521	0.5
181.10086	1.6
182.10887	0.4
183.11647	4.2
184.12344	0.5
185.09618	1.3
185.13229	3.2
187.11177	1.6
187.14760	0.6
189.12685	0.5
191.10677	0.3
192.09319	0.3
193.10112	1.3
194.10875	0.5
195.11664	2.4
197.09526	0.5
197.13205	2.4
199.11128	2.3
199.14857	1.8
201.12727	1.4
201.14519	0.3
201.16408	0.6
203.14209	0.4
205.10118	0.3
205.12276	0.4
207.11650	1.7
209.13168	2.4
211.11148	0.4
211.14836	2.5
213.12733	3.0
213.16330	0.6
214.13536	0.3
215.14243	1.0
219.11702	0.5
220.12503	0.5
220.18262	0.3
221.13222	1.6
223.11255	0.5
223.14777	3.6
225.12677	1.6
225.16287	0.3
227.14287	3.1
228.15033	1.3
229.15837	6.4
231.13739	1.5
233.13263	1.0
235.14764	1.6
237.12799	0.3
237.16351	0.6
239.14282	1.5
239.17920	0.6
241.07027	0.3
241.15800	4.7
242.16626	0.6
243.13678	0.5
243.17357	2.3
245.15376	0.3
249.12741	0.5
249.16370	1.1
251.14195	1.9
251.17986	0.4
253.15810	0.5
253.19405	2.1
255.17235	0.4
263.14468	0.4
263.17917	2.4
265.15710	0.9
267.17319	1.2
269.15302	2.9
269.18912	1.1
271.20450	1.7
273.16324	0.3
276.15118	0.3
279.17404	0.4
281.18909	5.2
283.16910	0.6
291.17380	4.3
294.16055	0.5
297.18393	0.4
299.19955	2.4
309.18427	13.6
309.22006	0.5
312.17038	0.5
327.19476	100.0
328.19757	1.5
345.20514	7.2
376.59595	0.4
385.34760	0.3
405.20306	0.4
423.21497	2.9
438.12405	0.3
441.22681	2.1
459.23633	6.9
471.23856	0.5
489.24689	8.9
507.25772	13.4
656.31958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33380	0.3
51.15120	0.2
53.00303	0.3
55.05482	0.5
57.03425	7.8
57.07035	0.3
59.04972	2.0
60.04500	0.5
67.05474	1.6
69.03413	21.9
69.07037	1.8
75.04449	0.5
79.05456	2.1
81.03388	0.8
81.07018	4.9
83.04964	6.7
85.02887	18.3
85.06551	0.4
87.03934	0.6
87.04448	14.6
91.05450	2.0
93.07017	4.3
95.04925	0.7
95.08575	5.9
97.02865	14.7
97.06504	15.9
98.68654	0.3
99.04430	1.3
101.05940	0.3
102.77650	0.3
102.90374	0.3
105.07000	4.4
107.04930	0.5
107.08557	3.2
109.06495	4.8
109.10126	1.7
111.04416	2.1
111.08092	0.4
113.05946	0.7
115.03901	14.7
117.06996	0.7
119.08568	4.5
121.06463	2.3
121.10120	1.7
123.08042	3.4
124.30265	0.3
127.03854	1.6
128.06252	0.4
129.06940	1.3
131.08533	4.1
133.04941	10.2
133.06010	0.4
133.06436	0.7
133.10103	2.1
135.08009	1.8
135.11650	1.6
137.09540	0.5
142.07710	0.7
143.08530	3.5
145.04903	1.3
145.10092	5.6
147.08005	1.8
147.11649	1.8
149.09579	3.8
150.07625	0.6
155.08495	2.4
157.10095	4.5
159.07959	0.6
159.11653	2.7
161.09554	2.5
161.13148	0.4
162.10356	0.4
163.11128	2.3
167.08627	0.3
169.10121	2.6
171.08093	0.6
171.11665	2.5
173.09546	3.6
173.13171	0.5
175.11075	3.2
175.14777	0.4
177.12746	0.5
179.08513	0.3
181.10083	2.0
183.11639	3.5
185.09581	0.7
185.13214	2.4
187.11116	0.7
189.12621	0.4
191.10736	0.8
193.10068	0.5
194.10818	0.4
195.11636	2.5
197.09555	0.5
197.13202	1.9
199.11179	2.2
199.14751	1.5
201.12717	0.7
201.16159	0.4
207.11635	0.8
209.13208	1.6
211.11111	0.4
211.14792	1.6
213.12662	1.6
215.14182	0.6
221.13141	1.6
223.11098	0.7
223.14793	4.1
225.12694	0.4
227.14214	2.2
228.15128	0.6
229.15829	3.5
231.13747	0.5
235.14824	0.7
239.14188	1.2
241.15842	3.2
243.13768	0.4
243.17331	0.6
247.14796	0.5
248.15503	0.3
249.16284	0.7
251.14238	1.3
253.15721	0.5
259.08109	1.3
263.17844	1.7
265.15845	0.4
267.17352	0.8
269.15305	4.1
271.20663	0.5
273.16516	0.6
276.15204	0.4
281.18884	3.5
283.16833	0.5
291.17300	3.4
295.10196	0.6
299.20096	1.3
309.18350	7.1
325.17935	0.4
327.19464	100.0
328.19720	0.7
343.19000	1.4
345.20517	23.4
423.21591	2.9
424.13492	0.4
424.85184	0.4
441.22632	2.1
459.23669	13.9
477.24512	0.7
489.24783	4.1
507.25867	1.1
545.84662	0.4
617.90222	0.4
685.13141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63375	0.5
52.14518	0.4
53.00293	1.0
53.03941	0.5
55.05503	5.7
57.03175	0.6
57.03429	8.4
57.07066	74.2
57.92438	0.5
60.31586	0.4
60.37321	0.4
61.02913	17.6
62.62399	0.4
67.05492	16.1
69.03404	1.3
69.07050	12.0
71.08615	53.5
73.02903	6.1
75.04453	2.8
81.03434	0.6
81.07038	22.7
83.08607	13.5
85.02886	13.8
85.06504	0.6
85.10168	30.0
89.05995	1.2
91.03933	13.4
95.08579	36.8
97.02850	4.8
97.10145	7.5
99.11701	1.1
103.07537	1.2
107.08592	0.7
107.19435	0.6
109.02880	0.6
109.10141	18.6
111.11669	1.4
113.60872	0.6
115.03927	0.7
123.11677	7.5
125.13251	0.8
127.03880	3.1
137.13190	2.4
141.38016	0.6
145.04959	4.6
151.14793	0.6
163.05972	5.4
165.16359	0.5
183.97655	0.6
215.29530	0.6
221.22600	1.4
239.23650	19.3
257.24692	5.1
313.27310	100.0
328.47504	0.6
331.28391	18.3
333.49582	0.6
475.32211	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	655.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.4
53.03938	0.7
55.01852	0.5
55.05259	0.4
55.05502	6.4
57.03159	0.4
57.03426	4.5
57.07067	3.9
59.04975	0.7
61.02901	1.3
65.03146	0.3
66.59664	0.3
67.05132	0.6
67.05488	11.4
69.03415	12.9
69.07052	15.1
70.06566	0.3
71.04967	2.4
71.08609	1.4
72.08168	0.3
75.04431	0.4
79.05476	7.3
81.03384	2.2
81.07036	32.7
83.04963	5.2
83.08601	5.6
85.02888	12.4
85.06526	1.8
87.04443	4.6
91.05455	6.2
92.08801	2.0
93.07019	18.6
95.04959	2.7
95.08582	29.7
97.02872	8.9
97.06507	10.5
97.10146	3.0
99.04406	0.3
99.08082	1.6
103.05448	0.4
105.07015	13.4
107.04935	1.2
107.08573	15.9
109.02879	0.7
109.06493	7.9
109.10138	20.4
111.08058	1.7
111.11700	1.5
113.06001	0.5
113.09646	0.5
115.03908	4.2
117.03361	0.6
117.06986	2.1
119.08548	10.8
121.06467	5.8
121.10120	13.5
123.08037	6.4
123.11683	10.7
125.05961	0.4
125.09594	1.7
125.13192	0.4
127.03911	1.2
127.11205	0.5
129.06964	1.5
131.04955	0.4
131.08530	6.1
133.04948	3.9
133.06465	1.3
133.10101	11.5
135.08037	1.5
135.11668	8.8
137.06004	0.4
137.09624	3.3
137.13216	4.4
139.11163	2.1
141.06963	0.3
141.12671	0.5
143.08527	2.4
145.02811	3.3
145.04955	1.2
145.06430	0.5
145.10112	7.0
147.04384	0.5
147.08020	1.4
147.11662	8.8
149.05946	0.5
149.09607	1.9
149.13249	5.5
151.07472	1.7
151.11209	0.6
151.14786	0.6
153.12697	1.5
155.08543	1.2
155.10669	1.4
157.10098	4.6
157.12198	0.4
159.07979	0.5
159.11655	7.4
161.09590	1.4
161.13219	4.2
163.11171	1.2
163.14781	3.2
165.09018	0.5
165.12743	1.6
169.10088	1.4
171.07961	0.3
171.11655	2.7
173.09572	1.7
173.13217	4.0
175.11154	2.6
175.14740	2.8
177.05432	5.3
177.12759	2.3
177.16345	4.9
179.14290	0.4
181.10124	1.5
183.11629	1.5
183.13774	0.4
185.09596	0.4
185.13255	3.2
187.11186	1.3
187.14795	3.1
189.12727	1.4
189.16368	3.1
191.17891	0.7
193.15958	0.5
195.10109	0.6
195.11691	1.7
195.13689	0.3
195.17455	0.6
197.09529	0.4
197.13225	0.7
199.11206	1.2
199.14790	0.5
201.12732	0.4
201.16360	1.7
203.10736	0.4
203.14320	0.4
203.17932	1.8
205.04669	1.1
205.12215	0.6
205.19376	0.4
207.11684	0.6
207.17459	0.5
208.12476	0.5
209.13264	0.5
211.14783	1.6
213.12704	2.0
213.16563	0.5
213.18454	1.9
215.14272	0.7
215.17899	2.2
221.13354	0.6
223.14819	4.8
225.12805	0.7
225.16283	0.4
227.14337	0.5
231.13728	1.1
231.77350	0.4
233.19077	0.4
237.16286	0.7
238.26160	0.3
239.14275	0.5
239.17819	0.4
241.15813	2.6
245.22476	0.4
249.16690	0.4
251.14304	0.4
251.17995	0.7
252.18515	0.4
253.15878	0.5
253.19435	1.1
259.24185	0.4
263.17850	2.4
265.15753	0.4
267.17395	1.8
269.15683	0.4
269.18976	1.4
271.20621	1.5
271.24170	5.4
277.25208	0.7
281.15784	0.5
281.18924	11.5
283.20551	0.4
287.16556	0.6
289.25220	6.6
291.17319	1.3
295.26251	1.1
299.20013	15.7
307.26215	8.6
309.18356	5.5
313.21381	0.4
325.27264	7.1
327.19446	4.8
331.22723	0.4
343.28378	9.4
345.20532	100.0
378.70886	0.3
387.00409	0.3
507.25684	1.6
538.65576	0.3
655.23267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01275	3.7
55.05505	48.3
57.07071	39.6
61.11906	3.8
67.05493	56.1
69.07056	79.1
71.08619	24.1
75.15433	4.5
76.88806	3.8
77.18894	3.8
79.05469	19.7
81.07042	96.9
83.04950	7.0
83.08598	61.3
85.06522	9.0
85.10155	6.3
91.05499	9.1
93.07028	36.3
95.08582	100.0
95.19695	4.6
97.10143	37.1
105.07026	30.1
107.08566	38.4
109.06521	5.0
109.10139	43.0
111.11716	16.3
119.08573	23.9
121.10126	30.2
123.08064	5.3
123.11689	17.9
123.45642	4.3
123.86875	4.0
125.13203	5.6
133.10117	21.9
135.11687	22.5
137.09532	5.3
137.13274	5.8
141.09137	5.0
147.11710	25.6
151.11249	8.3
156.31442	4.9
161.13222	17.9
165.12671	6.0
183.13753	5.1
193.15929	5.2
232.28236	4.8
261.22171	10.7
279.23148	51.5
297.24274	44.1
305.28424	18.2
341.30511	7.8
513.04669	5.5
640.46033	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	655.3896
Annotation	all-trans-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
53.00285	0.6
53.03918	1.6
55.01856	1.3
55.05257	1.0
55.05504	16.8
57.03420	4.5
57.07063	9.2
59.04998	5.7
60.95709	0.6
65.03907	0.9
67.05141	1.1
67.05489	27.8
67.91176	0.6
68.54076	0.7
69.03410	16.7
69.07050	41.6
71.04964	6.6
71.08601	4.2
71.49338	0.7
72.83456	0.6
73.02857	0.8
73.06501	1.1
79.05466	18.4
81.03391	3.2
81.07035	100.0
83.04964	7.5
83.08598	13.4
85.02888	11.6
85.06525	8.2
85.10159	1.1
87.04433	6.2
91.05453	12.9
92.09315	1.4
93.07018	45.0
95.04946	7.9
95.08580	91.6
96.08893	0.8
96.81792	0.7
97.02861	9.0
97.06521	7.5
97.10142	9.9
99.08052	4.4
101.05939	0.8
105.07011	24.9
107.08570	45.8
109.02884	1.0
109.06494	5.2
109.10135	60.3
111.08071	5.2
111.11671	5.2
113.05978	1.2
115.03895	3.9
117.06976	3.5
119.08550	24.5
121.06509	1.0
121.10117	32.2
123.08033	4.1
123.11675	38.1
125.09606	7.4
127.03926	1.3
127.07552	2.5
127.11134	3.4
131.08548	6.1
133.04924	3.8
133.10091	18.2
135.11653	24.8
137.05968	1.1
137.09618	4.8
137.13232	16.9
139.11121	3.4
141.12692	1.3
143.10623	0.9
145.10083	9.7
147.11671	16.0
149.13226	23.5
151.11157	4.3
151.14755	5.8
153.12708	1.4
155.14261	1.1
157.10081	1.1
159.11656	10.9
161.13223	10.9
163.14761	6.5
165.12685	3.7
167.14259	1.4
169.12128	1.5
171.11734	0.9
173.13234	4.1
175.07523	0.9
175.14822	7.0
177.16287	5.2
179.14249	1.3
179.17917	1.1
180.46329	0.7
181.12169	1.3
187.14766	4.5
189.16393	6.5
191.17917	3.5
195.17375	1.1
201.16304	3.7
203.17923	9.5
205.19576	0.9
208.65588	0.8
209.19055	1.1
215.17937	7.5
217.19452	1.1
221.18942	0.9
245.22678	1.6
259.24139	3.3
271.24191	14.1
277.25250	10.9
287.80161	0.8
289.25214	25.2
295.26254	3.4
307.26276	41.9
308.26596	0.9
325.23715	1.4
325.27292	20.9
343.28317	11.9
361.29425	13.0
439.30359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.6
56.96546	4.6
67.05486	12.9
69.07054	14.3
76.29736	2.8
79.05476	12.9
79.59974	2.3
81.07054	30.4
83.08584	4.4
91.05481	5.2
92.08714	2.7
93.07011	27.3
95.08571	47.1
97.10157	2.9
98.97588	3.6
105.07004	19.8
107.08595	42.3
109.06508	3.3
109.10144	22.6
116.98588	3.3
119.08566	42.8
121.10114	35.3
123.11682	12.7
131.08548	14.2
133.10103	34.1
134.99710	3.6
135.11655	26.7
137.13240	3.3
143.08566	4.6
145.10080	23.7
147.04427	2.7
147.11655	23.1
149.13225	11.4
157.10081	10.1
159.11658	28.3
161.13225	26.2
163.14793	28.1
165.22446	2.5
171.11667	11.2
173.11931	2.5
173.13231	18.5
175.14793	13.3
183.11650	2.6
185.13278	11.5
187.14786	18.7
189.16403	15.2
199.14818	5.4
201.16353	12.9
203.17934	10.7
207.13828	2.6
213.16365	5.7
215.17908	39.3
227.17952	5.8
229.19542	20.5
239.17899	13.6
241.19563	21.6
243.20955	5.0
253.19528	5.1
255.21011	12.8
257.22668	3.0
261.18384	5.6
267.20999	3.3
269.22543	5.4
287.20093	10.6
321.03391	2.5
370.65744	2.6
391.33395	9.0
409.34509	28.0
419.32938	2.8
437.34042	45.9
455.35129	100.0
461.27753	2.7
548.33337	4.6
608.35870	4.0
654.36627	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51010	1.4
53.03946	3.3
55.01865	4.0
55.05510	7.3
57.03428	45.7
57.07079	2.6
57.69487	1.6
59.04980	10.0
60.04527	1.5
61.02916	13.0
63.62668	1.4
67.05484	9.1
69.03418	80.7
69.07047	14.7
71.01350	8.4
71.04970	2.8
73.02900	39.1
75.04470	3.9
79.05468	11.5
81.03398	15.6
81.07047	13.1
83.04961	9.5
83.08611	7.7
85.02885	100.0
85.06530	4.3
86.46832	1.5
87.04443	43.9
91.03982	1.9
91.05463	10.6
93.07011	17.3
95.04924	20.3
95.08570	19.6
97.02869	65.1
97.06518	9.2
99.04435	7.7
101.06019	3.1
103.03934	9.8
103.05476	2.2
105.07021	25.0
107.03214	1.6
107.04945	2.5
107.08572	36.3
109.02900	2.1
109.06492	10.3
109.10147	18.5
111.04434	11.6
111.08095	2.8
115.03905	44.6
117.07015	3.5
118.06554	2.3
119.04899	2.6
119.08560	41.6
121.06513	3.7
121.10124	41.1
122.70057	1.8
123.04401	7.8
123.08055	10.8
123.11680	9.7
125.05985	8.6
127.03908	8.5
129.05502	3.7
129.06970	2.8
129.58487	1.7
131.08531	17.1
133.04941	41.9
133.06506	3.7
133.10107	54.6
135.08047	7.3
135.11656	13.8
136.93283	1.8
137.05975	7.3
137.09584	2.5
140.07071	2.6
142.07765	2.9
143.07060	2.9
143.08539	9.7
145.02820	11.4
145.04927	3.4
145.06505	3.6
145.10095	25.3
147.04439	3.1
147.06534	7.5
147.11658	33.7
149.04628	1.9
149.05911	6.1
149.09590	2.9
149.13246	3.5
150.07602	7.6
151.03886	26.8
151.07544	3.6
155.08508	2.3
156.09343	3.5
157.10106	13.4
158.10843	3.3
159.08049	9.3
159.11655	22.6
161.09621	10.0
161.13286	3.6
163.03880	7.2
163.07547	2.2
165.09167	1.9
167.07001	25.9
167.08304	2.9
169.04907	2.9
169.10115	7.8
170.10861	2.0
171.08034	2.8
171.11668	8.4
173.09659	7.9
173.13225	28.8
175.14790	43.1
177.05431	22.0
181.05013	2.5
181.10039	3.1
183.11653	3.0
185.09578	4.0
185.13248	11.1
187.09683	2.5
187.11198	7.4
187.14848	14.1
189.16496	3.7
191.10622	2.5
191.14352	2.7
193.15843	8.0
195.11734	2.3
197.09544	2.9
199.14795	8.6
203.10608	2.2
207.06465	1.9
211.14815	2.9
215.14252	2.5
217.15863	7.4
229.15822	3.6
233.11942	2.0
241.15881	10.2
253.15718	14.2
259.16876	6.9
269.12753	2.5
271.16815	35.9
289.17920	51.6
297.29498	1.7
297.33246	1.6
307.18964	65.1
313.09140	3.1
325.20090	19.6
357.75558	1.8
358.13367	1.9
406.22580	1.8
433.22354	4.0
451.23132	8.8
487.25104	2.8
636.67249	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
55.01870	2.6
55.05503	6.8
57.03174	2.7
57.03428	39.6
57.07069	2.4
59.04979	3.2
61.02913	10.0
65.03918	1.8
65.21692	1.5
67.05494	13.0
69.03415	91.3
69.07056	10.7
70.06570	2.4
71.01340	17.2
71.04990	5.8
73.02895	27.4
75.04475	3.2
79.05474	9.9
79.46181	1.5
81.03393	12.5
81.07052	18.2
83.04965	15.8
83.08590	3.6
85.02888	100.0
85.06512	6.9
86.99776	1.7
87.04444	35.4
89.03876	2.6
91.05434	15.3
92.08626	4.9
92.09248	11.3
93.07027	13.8
95.04951	18.4
95.08590	21.6
97.02872	66.9
97.06510	9.6
99.04445	10.0
101.06004	3.2
103.03941	3.1
105.07012	32.2
107.05013	1.5
107.08585	25.0
109.02838	3.4
109.06480	13.8
109.10139	20.9
110.07258	1.7
111.04411	10.5
111.08045	6.5
113.05946	1.9
115.03910	53.3
116.01219	1.6
117.03362	21.3
117.06995	9.2
119.04921	3.3
119.08550	53.1
121.06485	10.2
121.10130	38.5
122.26699	1.7
123.04390	2.5
123.08073	8.3
123.11651	6.2
124.30764	1.6
125.05957	8.5
125.09606	1.8
127.03877	7.6
129.07019	2.7
131.08525	21.3
133.02859	2.1
133.04953	32.6
133.06482	7.2
133.10100	61.9
135.04399	6.6
135.08026	10.1
135.11693	6.7
137.05931	11.3
137.09596	3.7
142.07706	2.6
143.07048	1.9
143.08533	11.9
145.02832	60.2
145.03938	2.9
145.04958	2.9
145.10104	37.1
147.04402	6.4
147.06487	6.7
147.08031	3.1
147.11667	40.7
149.05969	11.3
149.09627	6.6
150.07608	2.6
151.03850	6.8
151.07510	7.0
153.01814	10.1
153.05408	1.7
155.08568	3.8
156.09312	3.5
157.10106	15.7
158.10875	3.9
159.08008	9.2
159.11673	21.5
161.05931	2.4
161.09593	10.2
161.13264	4.1
163.02847	1.8
163.03908	23.2
163.07477	2.0
163.11203	2.2
167.07042	15.9
167.08324	2.7
167.10667	2.4
169.10095	8.8
169.35460	1.8
170.10857	2.4
171.08012	3.0
171.11624	12.8
173.09576	3.8
173.13223	38.9
175.03850	2.1
175.11220	3.5
175.14789	58.9
177.05434	97.4
177.08965	2.6
177.16327	2.9
178.37617	1.9
181.10043	2.1
182.07222	1.9
183.11658	7.1
185.09595	8.6
185.13179	14.7
187.09648	1.9
187.11163	7.2
187.14816	21.9
189.12805	2.1
189.16434	6.6
191.10658	1.8
191.14241	3.6
193.15898	12.3
197.13264	6.8
199.14787	11.5
201.12744	4.0
203.10527	2.2
205.12170	2.5
209.13184	1.8
211.14786	9.6
215.10626	3.0
217.15866	8.9
223.14894	2.1
225.16399	3.2
227.12685	3.0
229.15927	7.9
233.11641	2.6
238.13446	2.2
241.15846	14.1
253.15823	21.8
259.08063	2.2
259.16858	9.9
271.16891	56.3
281.04526	1.8
289.17938	50.8
297.03912	2.6
307.18976	69.2
311.05753	2.0
325.20032	15.7
337.03345	2.7
339.10724	3.4
351.05197	2.1
421.21698	3.3
430.32394	1.8
433.21960	3.3
435.07062	15.3
439.23300	3.3
451.23108	11.0
463.06354	2.9
469.24316	4.1
550.34796	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	653.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67365	2.4
53.00306	3.6
55.01838	3.2
55.05496	16.3
55.61111	2.4
57.03420	4.2
57.07071	3.3
62.02385	2.8
67.05481	19.2
69.03400	19.6
69.07047	22.3
71.04969	51.0
76.32507	3.3
79.05477	25.7
81.03409	2.9
81.07040	97.6
83.04966	3.6
83.08590	13.3
85.02873	16.3
85.06531	6.3
87.04456	5.8
87.39680	2.8
91.05458	17.2
92.08781	3.7
93.07023	48.7
95.04947	5.4
95.08585	45.5
97.02876	7.4
97.10150	6.3
99.08095	6.7
105.07020	51.0
107.08572	73.0
109.06496	13.1
109.10140	46.0
113.09636	3.3
117.07030	3.2
119.04929	6.6
119.08547	41.7
121.06528	4.5
121.10107	48.5
123.07986	4.1
123.11697	13.7
125.09596	39.4
127.11148	7.2
131.08557	14.0
133.10127	37.9
133.85669	3.3
135.11682	17.4
137.09653	23.4
139.11171	3.1
143.10640	48.8
144.76001	3.6
145.02872	7.4
145.10100	41.9
147.04388	36.8
147.11700	26.9
148.04700	12.5
149.13240	22.3
151.11186	5.0
153.12764	4.5
157.10100	13.1
159.11647	32.5
161.13179	7.4
171.11752	5.5
173.13200	6.3
177.05408	3.7
177.16293	5.4
187.14801	4.3
189.16301	6.5
201.16391	50.1
205.15746	4.6
216.57889	3.5
219.17448	5.5
223.16769	22.1
269.22589	13.5
287.23621	35.9
305.24680	100.0
316.35144	3.4
323.25687	18.8
341.26859	3.6
589.47925	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	653.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49212	0.4
53.03933	2.8
54.82352	0.5
55.01866	1.4
55.05505	1.5
57.03423	3.9
59.05016	0.5
61.02914	6.9
67.05487	3.7
69.03418	15.4
69.07046	2.4
71.04978	3.3
72.25367	0.6
73.02908	0.8
79.05463	4.6
81.03391	5.4
81.07025	8.1
83.04967	5.4
85.02888	51.6
85.06522	0.7
87.04446	4.5
91.03934	1.2
91.05450	3.4
93.07024	6.3
95.04970	2.6
95.08590	6.9
97.02872	17.9
97.06503	24.7
99.04420	2.7
101.06022	1.1
104.03139	0.5
105.07018	8.9
107.04938	1.2
107.08566	5.7
109.02850	5.4
109.06498	26.3
109.10120	1.3
111.04462	0.8
117.07001	1.5
119.08553	6.2
121.06482	4.1
121.10126	3.5
123.04376	0.7
123.08041	16.3
127.03876	10.0
129.06970	0.6
131.08545	6.3
133.10101	6.9
135.08090	1.1
135.11684	1.3
137.05919	1.2
137.09584	1.3
143.08527	4.5
145.02791	1.3
145.04932	12.8
145.06181	0.7
145.06448	0.6
145.10083	7.4
147.04396	2.7
147.08028	2.3
147.11662	4.1
149.09607	3.3
155.08534	2.9
157.10088	6.0
159.11644	4.8
161.09624	2.4
161.13225	1.1
163.05988	3.3
163.11195	1.2
167.07048	1.3
167.08537	0.8
169.10085	4.2
171.11620	4.6
173.09572	7.3
173.13261	3.7
175.11186	4.1
177.05502	2.6
177.12744	1.3
181.10138	2.9
183.11676	4.1
185.09555	0.8
185.13280	1.4
187.11171	1.2
187.14839	2.8
195.11734	2.9
197.09628	0.9
197.13306	3.3
199.11153	2.6
199.14815	1.2
203.14282	0.8
207.11623	1.1
209.13240	2.8
211.11244	0.9
211.14793	3.4
213.12788	0.8
215.14284	2.5
221.13239	0.7
223.11276	0.7
223.14859	2.5
225.12750	1.2
225.16353	3.5
227.14230	1.2
229.15790	1.4
233.13214	0.9
233.15388	0.8
235.14742	2.8
237.12711	2.2
237.16406	1.1
239.14214	2.3
241.15813	1.3
249.16306	1.2
251.14247	0.7
251.17897	4.7
253.15831	3.7
255.17358	0.9
263.17877	1.0
265.15891	1.4
265.19547	1.3
267.17419	0.8
269.18893	6.7
271.16867	1.1
275.17905	3.0
281.18961	1.0
293.18918	10.2
311.19983	14.8
329.21033	100.0
330.21417	1.3
368.97409	0.7
491.26202	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	652.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58479	2.3
55.05505	2.6
56.21661	2.1
63.27255	1.8
67.05501	3.1
69.07047	10.2
79.05486	4.9
81.07043	14.8
82.58469	2.0
83.08609	2.1
91.05453	13.1
93.07031	13.3
94.11153	2.0
95.08596	25.7
104.45499	2.2
105.07024	11.5
107.08584	30.5
109.10126	10.8
117.06970	2.9
119.04923	28.8
119.08562	53.0
121.10123	18.4
123.11688	2.6
129.06973	2.9
131.08546	5.3
133.10120	20.5
135.11679	10.8
143.08537	8.5
145.10101	24.9
147.04387	100.0
147.11641	4.2
149.13274	3.5
155.08559	2.7
157.10158	15.3
159.11630	19.6
161.13264	9.0
163.07529	3.3
166.20761	2.1
169.10016	2.9
171.11703	9.3
173.13248	13.2
175.14769	4.4
185.13219	9.1
187.14828	8.1
189.16373	3.7
191.17857	3.9
199.14795	15.4
201.16444	3.0
203.17941	4.2
213.16370	4.2
225.16443	2.6
227.17767	4.1
245.15170	3.1
253.19423	3.6
267.21011	2.7
273.18546	3.0
356.01361	2.9
389.32013	3.8
407.32916	3.3
415.07333	2.1
425.34222	8.4
435.32547	31.2
453.33624	13.9
511.93033	2.2
557.46997	2.5
622.30365	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	652.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.5
67.05495	13.4
69.07047	17.1
76.02908	1.1
79.05467	11.0
81.07041	35.3
83.08595	6.6
91.05472	11.2
92.08609	2.2
93.07018	28.7
95.04936	1.5
95.08582	47.4
97.06512	1.1
97.10154	2.5
97.42500	1.1
105.07007	31.1
107.08582	49.0
109.06507	2.0
109.10134	28.1
111.08066	2.9
116.68950	1.1
117.07021	8.1
119.08564	53.6
121.10129	36.5
123.11696	10.2
123.24044	1.3
125.09620	2.8
129.06993	4.7
131.08554	24.2
133.10110	43.8
135.07999	1.7
135.11665	21.4
137.09590	1.2
137.13254	2.9
139.11223	1.4
143.08569	10.7
145.10098	30.4
147.04401	2.3
147.11673	24.5
149.13203	14.2
151.11205	2.7
153.09131	1.7
155.08546	2.9
156.09296	1.6
157.10149	14.3
158.10875	1.4
159.11684	32.1
161.13237	46.7
163.11182	2.0
163.14792	22.2
165.12773	1.4
169.10103	6.2
171.11668	17.5
173.13220	26.0
175.14771	16.3
177.12735	1.6
177.16344	2.4
179.14270	5.2
181.12189	5.7
183.11679	6.7
185.13258	12.6
187.14792	21.8
189.16336	13.7
191.14265	3.0
195.11566	1.4
197.13268	6.0
199.14838	12.4
201.16353	26.5
203.14288	1.7
203.17949	2.6
205.15883	2.2
207.13805	2.1
211.14844	6.0
213.16451	11.6
215.17924	27.2
217.12354	1.5
217.15781	1.7
217.19489	3.0
219.17342	2.6
225.16280	7.3
227.17924	12.9
229.19504	19.8
231.17365	2.4
237.16287	1.7
239.17877	9.6
241.19453	22.0
243.21037	5.9
245.19025	1.9
253.19424	13.4
255.17340	1.7
255.21094	7.6
257.18994	4.6
257.22525	1.6
261.18414	8.3
265.19421	1.6
267.21091	2.8
269.22665	4.7
271.20465	2.5
273.18478	2.1
275.19974	6.1
281.22717	4.9
283.20422	2.2
287.19980	13.4
289.21692	1.4
293.22794	1.8
299.20013	2.8
301.21539	2.4
307.23993	1.4
313.21603	1.4
315.23114	1.6
349.28827	6.1
389.31985	9.0
395.29401	14.1
405.31314	1.6
407.33057	36.5
417.31543	2.9
423.32452	6.0
425.33945	19.8
435.26941	1.9
435.32489	21.8
453.33524	50.7
471.34628	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	652.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.9
67.05482	16.3
69.07043	17.8
79.05472	22.0
81.07043	47.1
83.08605	10.7
91.05448	27.6
92.88433	2.9
93.07028	52.6
93.76783	2.9
95.08585	61.6
95.15292	2.8
105.07018	34.6
107.08575	66.3
109.10126	30.0
116.33167	2.8
117.06992	5.7
119.04896	45.8
119.08540	47.7
121.10098	47.4
123.11662	12.8
129.06987	4.6
131.08511	30.1
133.10120	42.2
135.11671	45.5
137.13240	5.0
143.08531	14.8
145.10071	28.3
145.52441	3.1
147.04385	100.0
147.11656	32.8
149.05893	3.2
149.13252	17.3
155.08513	6.1
157.10085	23.6
159.11664	28.0
161.09712	2.7
161.13176	29.7
163.14787	26.3
165.08943	3.0
169.10072	6.3
171.11642	20.9
173.13269	21.1
175.14749	28.0
177.16347	12.2
183.11658	14.2
185.13188	39.1
187.14836	19.8
189.16391	19.5
191.17882	15.3
197.13260	5.9
199.14789	32.2
201.16373	17.4
203.17836	11.1
207.17566	3.0
209.13297	5.4
211.14812	5.2
213.16396	17.8
215.17932	4.5
217.15715	3.3
217.87216	3.5
219.13985	2.9
225.16322	4.8
227.17906	17.9
229.19510	5.9
231.13855	4.3
233.19189	3.4
237.33289	3.0
239.17946	3.8
245.15610	3.5
245.19038	5.8
253.19513	6.5
264.76355	3.1
273.18478	3.5
317.20905	5.1
389.32065	4.4
407.33029	15.9
425.33960	24.0
435.32495	18.1
453.33597	77.2
471.34619	45.8
545.77332	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	652.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
61.00144	1.0
65.03905	1.2
67.05486	3.0
69.07049	5.7
79.05476	2.4
81.07033	9.6
83.08546	1.3
91.05470	18.3
93.07018	8.8
95.08578	15.6
98.94390	1.2
105.07014	7.5
107.08578	17.0
109.10155	6.3
117.06979	1.7
119.04916	38.2
119.08565	30.5
121.10102	10.7
123.11671	2.1
131.08543	6.6
133.10092	12.6
135.11668	7.5
142.07875	1.6
143.08502	2.0
144.52240	1.4
145.10085	13.8
147.04387	100.0
147.11671	5.3
149.13249	2.4
157.10124	6.9
159.11673	10.2
161.13237	5.3
163.07509	2.6
163.14801	2.9
169.10068	1.8
171.11685	5.7
173.13203	8.3
175.14882	2.0
185.13213	7.4
187.14703	2.3
189.16351	7.7
191.17902	2.7
197.13196	1.8
199.14783	7.2
201.16258	1.4
203.17906	2.0
213.16310	2.1
215.17984	1.4
217.19525	2.4
219.13765	1.4
227.17868	1.4
239.18042	1.8
259.63022	1.2
285.18213	1.6
299.19916	1.2
389.31946	2.4
398.16321	1.4
407.33511	3.3
435.32465	17.3
453.33911	9.7
462.62338	1.3
479.85052	1.5
620.03333	1.4
675.72491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.6
55.24674	0.5
57.03409	0.6
59.61509	0.6
63.83702	0.5
67.05489	6.7
69.07053	6.3
78.11744	0.5
79.05475	5.7
81.07037	15.4
83.08584	1.0
84.53661	0.5
85.98302	0.5
91.05457	18.7
92.08794	0.7
93.06488	0.8
93.07019	16.0
95.08584	21.4
97.10147	0.9
105.06355	1.1
105.07007	17.3
107.08573	20.9
109.06507	0.9
109.10144	14.0
111.08072	6.6
112.40693	0.5
117.06982	4.3
119.04917	37.6
119.08562	18.7
121.06429	0.6
121.10114	15.4
123.08016	0.6
123.11675	5.0
125.09614	0.6
129.06967	1.2
130.07706	0.6
131.08530	11.5
133.10089	17.5
135.11662	10.7
141.06961	0.6
142.07748	0.6
143.08566	5.7
145.10106	18.1
146.41109	0.6
147.04385	100.0
147.11665	12.5
149.13231	7.0
151.11124	0.9
155.08511	1.3
157.10135	7.6
159.11679	13.4
161.13228	13.2
163.14790	7.8
169.10098	3.2
171.11653	8.0
173.13220	9.8
175.14798	10.6
177.12666	0.6
177.16374	4.1
179.14305	1.0
181.10126	1.1
183.11667	4.2
185.13243	5.9
187.14767	12.0
189.16345	5.7
191.17885	3.0
191.43559	0.6
193.15823	0.9
195.11678	0.8
197.13216	2.6
199.14764	7.5
201.16344	14.6
203.16199	0.6
203.17953	2.5
205.15846	2.7
207.11856	0.8
207.13692	0.7
209.13257	0.9
211.14740	2.5
213.16359	6.7
215.17885	9.4
219.17368	2.1
221.15416	0.9
223.14767	2.8
225.16283	2.7
227.17920	5.7
229.19594	4.1
231.17403	0.8
237.16368	2.2
239.17850	4.1
241.19467	4.6
243.20903	1.2
247.16876	1.3
253.19485	1.2
255.21011	3.2
261.18491	2.7
265.19434	1.1
267.21069	2.8
269.22498	1.3
273.18454	0.6
275.20102	0.9
279.20978	1.2
285.18375	0.8
287.20013	2.3
289.21600	0.8
299.20105	1.3
301.21545	2.4
307.24142	2.5
315.23193	0.6
319.24121	0.9
327.22800	0.8
349.28748	1.0
353.24631	0.9
355.26288	0.9
377.31754	0.8
389.32050	6.4
395.29230	4.1
407.33090	9.5
417.31259	0.9
423.32297	3.0
425.34082	3.2
435.26483	0.6
435.32523	21.5
453.33514	23.0
456.12656	0.6
471.34628	11.9
479.17056	0.7
593.17639	0.6
599.37000	1.0
613.11975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05808	6.2
55.05492	10.5
57.15391	7.5
59.06503	6.2
67.05475	7.4
75.74115	6.6
81.07030	54.0
84.67730	7.0
91.05451	11.2
93.07023	40.9
95.08613	64.9
99.50970	8.0
105.07002	43.4
107.08566	65.5
109.10149	34.4
119.08566	60.4
121.06489	7.4
121.10138	56.8
131.08562	17.0
133.10092	38.7
135.11641	15.1
145.10077	29.8
147.11661	30.5
149.13243	8.3
157.10072	8.4
159.11659	34.1
161.13222	27.8
163.14825	14.0
171.11716	12.2
173.13307	30.4
185.13191	9.8
187.14758	12.1
197.13199	7.8
201.16183	11.7
209.04800	8.1
215.17935	41.4
229.19510	29.7
241.19411	12.4
253.19568	8.2
261.18567	12.3
341.04471	7.8
343.29950	8.4
349.28983	8.0
394.89682	8.4
395.29361	12.9
396.74048	8.2
407.33167	27.6
423.32510	8.7
435.32596	15.5
453.33163	15.7
471.34491	100.0
657.96686	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	652.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31107	1.8
53.00287	3.5
53.03925	1.7
55.01844	3.3
55.05501	26.2
57.03423	20.6
57.07060	11.9
59.04979	10.9
61.02906	2.6
66.55045	1.9
67.05485	29.7
69.03416	60.8
69.07057	38.2
71.04976	48.5
73.06547	2.3
75.04462	3.1
79.05466	26.2
81.03395	4.7
81.07040	100.0
82.07382	3.0
83.04951	4.0
83.08604	12.1
85.02892	47.8
85.06541	14.5
87.04463	29.4
91.03958	2.1
91.05458	29.3
93.07019	67.9
93.07562	3.4
95.04940	12.7
95.08587	46.3
97.02872	38.2
97.06494	9.1
97.10149	11.4
99.04455	2.6
99.08042	3.3
105.07009	90.3
107.08578	83.3
108.08868	2.4
109.02858	3.2
109.06496	15.1
109.10138	87.5
111.08010	2.8
111.11696	2.1
115.03910	24.3
117.06996	10.5
119.08557	82.7
121.10119	58.1
123.08028	4.8
123.11646	17.6
125.09607	31.9
127.03891	4.5
127.11170	43.2
129.07013	8.7
131.08568	25.6
133.04918	22.7
133.10100	43.5
135.08066	2.8
135.11670	29.6
137.05960	5.0
137.09590	3.0
137.13228	3.2
142.07765	2.0
143.08574	15.9
143.10640	52.2
144.09195	2.3
145.04910	2.2
145.10092	59.6
146.85536	2.1
147.04320	3.3
147.11670	50.9
149.09599	3.1
149.13258	29.4
151.03844	2.5
151.11186	8.6
153.12703	7.8
155.08601	2.6
156.09270	2.3
157.10110	30.4
159.11652	54.1
161.09613	2.6
161.13225	24.7
163.11131	2.5
163.14900	2.2
169.09976	2.2
171.11679	18.8
173.13219	18.7
175.14793	11.8
181.10063	2.4
183.11693	3.0
185.13234	18.7
187.14819	13.1
189.16341	12.1
191.17831	3.3
193.10100	2.2
193.15883	3.5
197.13246	4.5
199.14738	14.5
201.16357	37.2
205.15955	2.6
209.15189	2.8
211.14758	2.4
213.16370	17.8
215.17860	3.5
219.04886	2.1
219.17447	3.5
227.17929	2.6
229.19438	3.1
264.93097	2.2
269.20102	2.8
269.22586	23.9
287.23569	43.8
300.76218	2.2
305.24521	21.4
326.59232	2.0
401.26480	2.3
419.27896	3.0
449.28430	3.1
467.30127	2.2
636.10944	2.3
640.40088	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	652.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31107	1.8
53.00287	3.5
53.03925	1.7
55.01844	3.3
55.05501	26.2
57.03423	20.6
57.07060	11.9
59.04979	10.9
61.02906	2.6
66.55045	1.9
67.05485	29.7
69.03416	60.8
69.07057	38.2
71.04976	48.5
73.06547	2.3
75.04462	3.1
79.05466	26.2
81.03395	4.7
81.07040	100.0
82.07382	3.0
83.04951	4.0
83.08604	12.1
85.02892	47.8
85.06541	14.5
87.04463	29.4
91.03958	2.1
91.05458	29.3
93.07019	67.9
93.07562	3.4
95.04940	12.7
95.08587	46.3
97.02872	38.2
97.06494	9.1
97.10149	11.4
99.04455	2.6
99.08042	3.3
105.07009	90.3
107.08578	83.3
108.08868	2.4
109.02858	3.2
109.06496	15.1
109.10138	87.5
111.08010	2.8
111.11696	2.1
115.03910	24.3
117.06996	10.5
119.08557	82.7
121.10119	58.1
123.08028	4.8
123.11646	17.6
125.09607	31.9
127.03891	4.5
127.11170	43.2
129.07013	8.7
131.08568	25.6
133.04918	22.7
133.10100	43.5
135.08066	2.8
135.11670	29.6
137.05960	5.0
137.09590	3.0
137.13228	3.2
142.07765	2.0
143.08574	15.9
143.10640	52.2
144.09195	2.3
145.04910	2.2
145.10092	59.6
146.85536	2.1
147.04320	3.3
147.11670	50.9
149.09599	3.1
149.13258	29.4
151.03844	2.5
151.11186	8.6
153.12703	7.8
155.08601	2.6
156.09270	2.3
157.10110	30.4
159.11652	54.1
161.09613	2.6
161.13225	24.7
163.11131	2.5
163.14900	2.2
169.09976	2.2
171.11679	18.8
173.13219	18.7
175.14793	11.8
181.10063	2.4
183.11693	3.0
185.13234	18.7
187.14819	13.1
189.16341	12.1
191.17831	3.3
193.10100	2.2
193.15883	3.5
197.13246	4.5
199.14738	14.5
201.16357	37.2
205.15955	2.6
209.15189	2.8
211.14758	2.4
213.16370	17.8
215.17860	3.5
219.04886	2.1
219.17447	3.5
227.17929	2.6
229.19438	3.1
264.93097	2.2
269.20102	2.8
269.22586	23.9
287.23569	43.8
300.76218	2.2
305.24521	21.4
326.59232	2.0
401.26480	2.3
419.27896	3.0
449.28430	3.1
467.30127	2.2
636.10944	2.3
640.40088	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	652.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34147	0.1
54.25185	0.1
54.27952	0.1
54.97288	0.1
55.01854	0.2
56.49723	0.1
57.03416	0.2
60.18154	0.1
61.27085	0.1
72.31963	0.1
73.02901	0.1
75.28777	0.1
83.06112	0.1
83.66943	0.1
85.02879	0.2
87.04404	0.2
91.53659	0.1
97.02893	0.1
118.18244	0.1
119.03506	0.5
136.06158	100.0
137.04549	0.4
137.06505	0.6
145.91461	0.1
177.23837	0.1
264.32236	0.1
268.10336	17.5
467.53378	0.1
482.62598	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	652.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32913	0.3
57.03426	1.5
57.07053	0.5
59.04987	1.5
61.02915	1.7
65.59896	0.3
67.05489	3.7
69.03410	6.4
71.04968	2.0
73.02890	0.7
79.05461	0.5
81.03387	1.8
85.02884	16.7
85.06526	1.5
87.04449	1.7
91.03915	0.7
91.05448	0.4
93.07000	0.8
95.04940	13.2
97.02863	4.6
97.06491	1.4
99.04415	0.5
103.05428	5.0
107.04919	2.9
109.02850	1.9
113.05979	18.7
113.06750	0.8
115.07466	0.3
120.08074	100.0
127.03890	4.5
127.07523	0.5
131.04877	3.4
136.06174	0.7
145.04922	7.1
145.08595	3.5
149.05954	0.8
158.83559	0.4
163.05978	2.1
166.08592	20.9
167.44133	0.3
217.78410	0.3
257.10184	1.5
325.11227	3.5
365.07700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.7
57.60008	3.6
67.05489	16.0
67.42261	3.7
69.07050	21.6
77.31521	3.8
79.05471	19.9
81.07040	59.8
86.35091	3.8
91.05447	15.2
93.07019	44.2
95.08579	71.5
100.11265	4.9
105.07030	43.0
107.08598	73.4
109.10141	33.2
117.06984	7.5
119.08569	64.0
121.10110	56.8
123.11662	15.6
129.06967	6.1
131.08542	29.5
133.10126	38.7
135.11693	47.1
137.13210	17.9
143.08577	8.2
145.10129	41.7
147.04366	6.2
147.09180	4.4
147.11678	31.9
149.13260	28.5
157.10133	22.4
159.11670	49.9
161.13206	42.3
163.14793	38.6
171.11664	33.6
173.13202	34.0
175.14784	25.7
183.11705	7.5
185.13194	9.0
187.14786	30.3
189.16272	16.2
199.14758	16.4
201.16351	33.5
203.17949	24.0
213.16299	6.8
215.17921	59.3
227.17920	24.8
229.19415	35.2
239.17848	21.8
241.19470	28.4
245.22250	4.3
247.17046	5.0
255.21089	20.3
261.18475	15.8
267.20941	5.6
269.22501	5.5
275.20093	7.7
276.62323	5.2
283.24228	4.6
287.20007	23.3
295.24341	6.0
301.21622	6.8
313.21619	4.7
315.23129	6.3
355.36224	5.5
391.33414	20.9
409.34549	44.4
419.33212	16.0
437.34128	75.8
455.35150	100.0
553.46466	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	650.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42389	2.8
55.05496	6.8
55.46079	2.8
56.52405	3.1
57.07081	3.4
59.44411	3.0
59.94800	2.7
67.05494	19.2
69.07040	25.6
73.55526	3.2
78.56561	3.3
79.05487	15.2
81.07052	46.1
83.08606	8.1
91.05461	38.8
92.09005	7.8
93.07023	57.1
94.49889	3.4
95.08588	62.9
97.10099	3.5
101.72395	3.5
105.07014	34.4
107.08573	83.8
109.10142	43.0
117.07030	7.9
119.04908	35.4
119.08553	55.3
121.10124	47.5
123.11682	17.2
129.06976	8.6
131.08559	46.9
131.09523	4.6
133.10120	38.1
135.11668	53.9
137.13231	6.7
141.07068	4.8
143.08537	19.2
145.10127	16.8
147.04387	82.3
147.11676	31.8
149.13289	22.0
155.08534	19.0
157.10056	31.5
159.11711	8.8
161.09671	4.6
161.13222	18.4
163.14766	46.2
167.08586	5.9
169.10086	30.7
171.11682	17.3
173.13307	7.8
175.14772	8.1
177.16328	4.5
181.10103	7.8
183.11726	28.8
185.13235	22.5
187.14804	15.0
189.16399	18.3
191.17862	4.7
195.11639	14.6
197.13213	17.0
199.14767	13.8
201.16382	5.0
203.17946	21.1
209.13239	6.4
215.14267	4.7
223.14815	8.8
225.16330	22.2
227.17885	24.8
239.17908	5.8
243.17456	7.7
248.36223	3.6
251.17978	15.7
253.19118	3.5
273.18539	3.7
279.21109	17.4
291.21072	4.2
297.18365	4.4
325.21545	7.4
375.30331	24.8
387.30371	6.4
405.31351	6.7
421.30966	24.6
423.32413	7.7
433.30753	15.4
439.32098	20.8
451.31995	100.0
469.33182	27.0
589.68091	3.6
666.35760	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	650.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18232	1.0
53.03934	7.7
54.81544	1.1
55.01878	2.9
57.03427	2.6
61.02905	6.3
65.03921	5.6
67.05498	5.7
69.03410	9.2
72.19145	1.0
73.02885	1.1
75.01211	1.1
75.04469	3.1
79.05481	6.6
81.03406	1.2
85.02883	14.8
87.04433	2.1
88.70859	1.2
89.03920	1.1
91.05463	14.4
91.67891	1.2
93.03380	11.8
93.07041	8.0
95.04951	80.6
97.02866	10.9
97.06483	2.4
100.11265	5.2
103.05431	12.3
105.04520	5.3
105.07022	18.8
106.04157	23.8
107.04974	12.3
109.06501	2.7
111.04454	1.6
115.03902	2.3
117.03352	2.6
119.04904	6.0
121.06488	35.0
123.04409	100.0
124.05165	1.7
125.05977	11.3
127.03925	1.9
127.07511	1.6
130.88858	1.2
131.04930	7.1
133.02879	1.6
133.06454	24.6
134.03609	2.6
135.04411	7.4
137.05963	7.5
139.07498	5.8
140.04669	27.4
145.02844	6.1
145.04959	1.5
147.04425	5.7
148.05161	2.5
148.90340	1.4
149.05956	59.0
151.07568	6.7
153.05453	2.8
153.09035	10.4
155.07002	48.9
159.04379	1.8
161.05939	36.9
162.07712	1.2
163.03885	21.0
163.07516	2.1
164.04234	6.3
165.05467	6.3
166.06259	1.8
167.07010	53.8
173.08023	1.6
177.05428	37.9
179.06947	4.2
181.08565	21.3
183.06491	55.1
191.07088	5.5
192.07721	2.0
193.08563	40.7
195.06479	27.8
199.68352	1.4
203.03461	13.0
203.05286	1.8
207.06528	2.4
209.08066	97.3
225.07497	18.4
227.09166	2.3
227.17683	2.0
231.02861	2.3
243.08530	2.4
257.75595	1.2
339.06961	5.2
367.61438	1.4
369.44373	1.3
435.09424	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	650.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88477	1.0
51.72419	1.0
52.04429	1.1
53.00294	6.6
53.03940	2.6
54.82230	1.3
54.82487	1.3
55.01860	1.5
55.05509	19.6
56.01202	1.1
57.03440	12.9
57.07047	2.4
59.04989	10.9
67.05496	17.0
69.03068	1.9
69.03415	40.7
69.07053	21.8
71.04977	33.8
79.05470	21.6
81.03387	5.9
81.07039	58.2
83.04952	14.9
83.08588	5.2
85.02419	2.2
85.02889	36.2
85.06509	8.3
87.04454	20.1
89.00554	1.3
91.05466	24.1
92.08643	1.3
92.09145	3.0
93.07024	57.6
95.04944	13.4
95.08585	29.5
97.02866	27.0
97.06510	11.0
97.10135	3.1
99.04404	1.8
99.08053	6.6
101.17796	1.2
105.07009	65.6
107.07861	2.4
107.08575	55.7
109.02871	2.6
109.06490	7.3
109.10143	27.9
111.08051	6.0
114.79653	1.3
115.03909	23.0
117.07011	10.6
119.08556	60.2
121.06499	2.6
121.10113	28.1
123.08049	1.7
123.11691	16.5
125.09605	26.3
127.03882	4.8
127.07515	8.6
127.11179	11.3
128.06187	6.5
129.06984	8.6
129.09102	1.8
130.07742	8.2
131.08528	23.2
133.04958	14.9
133.10101	43.0
135.07991	1.6
135.11658	13.7
137.09602	9.6
137.23384	1.2
139.11171	12.2
141.06914	2.0
141.12692	2.0
142.07744	11.8
143.08540	29.9
143.10652	51.1
144.09334	2.7
145.04930	5.9
145.10098	100.0
147.11674	31.6
149.09566	1.9
149.13243	3.0
151.07494	1.6
151.11192	9.3
152.49057	1.6
155.08531	8.3
155.10672	1.9
156.09308	9.2
157.10104	53.3
158.10860	2.7
159.11685	33.0
161.09616	3.2
161.13174	5.9
163.03810	1.6
163.09779	1.3
163.11140	5.0
167.08427	1.5
167.14331	2.1
169.10120	11.2
169.12225	8.8
171.11638	15.9
173.09575	1.5
173.13203	11.8
175.14778	5.3
177.05453	1.3
179.10664	1.6
181.10144	1.7
182.10854	2.0
183.11740	9.2
183.13103	1.7
184.12404	1.5
185.13202	6.7
187.14789	8.4
189.16295	3.1
195.11624	2.3
196.12408	1.4
197.13158	10.6
199.14795	36.5
201.16365	6.5
209.15355	2.4
211.14825	8.1
213.16302	5.0
215.17987	1.5
217.15840	5.7
221.15326	1.6
225.16399	2.3
235.16856	3.0
267.21078	5.9
269.22650	1.9
285.22098	34.3
303.23129	49.5
321.24225	1.9
417.26495	1.9
435.27371	1.9
465.28268	2.9
650.32025	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	648.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
57.03428	0.2
61.43382	0.1
61.47925	0.1
63.02351	0.2
63.57369	0.1
69.03411	1.3
71.04973	0.2
73.02899	0.1
81.03397	4.2
85.02883	1.9
89.03888	3.0
91.05447	0.2
92.09373	0.2
95.04968	0.1
97.02864	0.5
99.04434	0.6
106.04126	0.2
106.20111	0.1
109.02856	1.7
109.10122	0.1
114.09142	0.1
117.03355	15.1
119.04919	0.1
127.03890	0.2
134.03604	1.1
135.04381	1.1
145.02826	62.7
146.03120	0.4
149.05957	7.0
162.03125	0.4
163.03873	0.8
177.05432	100.0
178.05766	0.9
186.05478	0.5
195.06488	1.4
321.09622	4.0
339.10681	7.5
480.76434	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	649.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81942	0.4
55.01854	0.3
55.05513	0.5
57.03420	0.3
58.55309	0.3
59.11127	0.3
61.02911	0.4
61.24079	0.3
67.05488	0.9
69.03413	1.8
69.07055	1.4
71.04964	0.5
71.85172	0.3
72.08797	0.3
72.41296	0.3
76.56593	0.4
79.05489	1.5
81.03415	0.5
81.07034	2.1
83.04975	0.4
85.02881	6.2
87.04433	0.7
87.52493	0.3
89.64224	0.3
91.05435	0.7
92.08672	1.6
92.09295	1.7
93.07037	1.5
93.08568	0.4
95.04964	0.4
95.08595	2.3
97.02887	1.5
97.06495	0.4
99.04456	0.5
105.07041	1.4
107.08608	1.7
109.06489	0.4
109.10157	1.4
117.06944	0.3
119.08571	2.2
121.10213	1.1
123.08068	0.5
123.11670	0.4
125.09652	0.4
127.03927	0.7
131.08575	0.5
133.05083	0.3
133.10115	0.6
143.08592	0.4
145.04984	1.5
145.10138	0.8
147.11763	0.5
157.10098	0.7
157.62843	0.4
162.56868	0.4
163.03905	0.6
175.03969	0.4
185.13266	0.4
206.77002	0.4
219.36780	0.4
308.37524	0.4
335.09357	5.8
352.54282	0.4
542.02856	0.4
649.31842	100.0
650.32288	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22141	0.1
57.16458	0.2
62.09678	0.2
63.02346	0.2
67.05504	0.2
69.03410	0.8
72.62016	0.2
81.03390	1.1
85.02890	0.8
85.06530	0.2
87.04444	0.3
89.03890	4.8
91.05447	0.7
93.07013	0.3
95.08562	0.5
97.02850	0.3
107.08607	0.3
114.09146	1.1
117.03355	20.7
121.10095	0.2
131.04868	0.2
134.03584	1.5
135.04391	1.9
145.02827	69.5
146.03137	0.4
149.04744	0.3
149.05956	8.6
163.03867	0.8
166.43756	0.2
166.56540	0.2
177.05431	100.0
178.05742	0.3
186.05481	0.3
195.06487	0.8
207.92259	0.2
215.17604	0.2
232.85599	0.2
260.14713	0.2
304.52603	0.2
321.09412	1.0
339.10693	2.8
565.48010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.75793	0.4
54.81813	0.5
55.01855	0.7
55.05498	0.9
57.03427	0.5
57.07046	0.6
59.34239	0.4
65.03924	5.8
67.05488	4.1
69.03414	5.5
69.07041	1.9
70.03700	0.5
71.04987	0.7
79.05482	3.5
81.03407	1.8
81.07021	2.9
82.04169	2.1
83.04961	1.1
85.02896	8.1
87.04428	2.3
89.25771	0.4
90.46738	0.4
91.05462	5.6
93.03401	0.5
93.07031	2.0
95.04943	3.6
95.08578	2.4
97.02859	2.3
97.06506	2.6
105.07005	3.6
107.04942	8.4
107.08571	2.4
109.02816	0.6
109.06461	0.6
109.10153	1.8
110.03622	2.5
111.04427	1.2
113.05975	0.8
115.05444	6.3
117.03339	1.0
117.07018	2.5
119.04900	4.5
119.08560	8.1
121.06496	0.9
121.10098	2.3
123.04425	0.8
123.08025	0.7
125.05958	2.5
125.09606	0.7
127.03905	0.7
128.06197	0.9
129.06998	5.4
131.08554	1.2
132.05679	1.8
133.04944	0.6
133.10075	0.8
135.08034	0.6
137.05936	0.8
138.03096	1.1
142.02591	2.4
143.04910	3.4
143.08482	0.7
143.97548	0.5
145.02803	3.8
145.06454	4.2
145.10048	2.0
147.04388	8.5
147.08014	26.4
147.11685	0.9
149.05962	0.8
153.05432	1.9
157.06451	4.4
157.10001	0.7
159.11646	1.0
160.05161	9.2
161.05965	0.7
167.07002	8.6
171.06474	10.0
173.05998	0.8
173.13179	0.7
175.03903	3.2
175.07507	35.0
177.05408	5.3
178.05763	0.7
179.06958	0.5
181.04921	100.0
183.11673	0.7
192.07706	0.5
195.06499	6.0
203.07013	14.2
203.08766	0.5
207.06496	5.6
207.10008	3.7
211.14621	0.6
220.07278	0.7
233.07997	0.8
235.09604	76.2
243.11159	0.8
285.12222	0.7
314.02084	0.5
355.11685	2.0
373.23315	0.9
383.11020	2.9
387.14407	3.9
415.13724	13.2
649.31372	0.7
662.40857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20984	0.8
51.36232	0.8
53.03930	2.3
55.01858	5.3
55.05486	1.5
57.03425	12.2
57.93898	0.8
61.02909	14.6
62.57197	0.9
65.03928	1.3
67.05493	23.7
67.80437	1.0
69.03413	44.5
69.07050	8.1
71.01313	1.0
71.04969	13.1
73.02901	4.3
76.15066	0.9
79.05475	20.2
81.03402	13.4
81.07035	13.6
83.01359	1.0
83.04959	4.4
83.08630	1.3
85.02888	100.0
85.06519	4.6
86.67197	1.0
87.04437	4.1
88.93884	0.9
91.03927	5.7
91.05457	7.6
93.07027	11.7
95.04946	33.8
95.08570	10.9
97.02866	29.9
97.06506	51.5
99.04422	6.2
105.07013	15.5
107.08588	12.0
109.02863	10.0
109.06506	5.6
109.10143	4.0
111.04430	2.6
113.05988	67.2
117.06973	2.4
119.08548	10.7
121.06510	1.1
121.10118	10.9
125.05951	18.3
127.03892	23.0
129.06967	1.5
131.08517	7.3
133.10132	9.0
133.56311	1.2
135.08032	1.6
135.11650	2.0
139.03911	1.8
143.08519	4.9
145.04955	21.6
145.10110	13.1
147.11670	9.9
149.43562	1.0
153.05434	14.1
155.07010	7.6
155.08514	4.6
157.10124	4.8
159.11665	12.1
161.13232	2.4
163.11249	1.2
167.07004	1.3
169.10059	2.1
171.08147	0.9
171.11665	2.2
173.09642	1.0
173.13194	1.9
175.07510	1.3
175.14754	8.2
179.07054	1.4
181.08516	1.1
181.10091	1.4
183.11620	2.4
185.13205	4.2
187.14815	1.7
189.16348	1.8
195.11668	1.7
197.13150	3.5
199.14832	1.7
201.16393	8.0
209.13208	4.9
211.14767	1.3
213.16312	2.1
215.18021	1.3
217.12283	1.1
221.13225	1.4
225.16312	1.2
229.12102	1.8
235.14778	2.4
241.12112	1.3
253.19167	1.2
255.13779	1.5
257.10159	4.2
277.19510	1.7
291.21127	2.3
298.22232	1.4
309.18445	1.3
309.22049	2.0
319.20496	2.3
337.21521	18.7
355.22604	32.2
373.23645	71.7
408.66739	1.1
426.29868	1.1
538.42078	1.0
666.48901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01865	0.2
55.05500	0.2
57.03423	0.7
61.02912	0.2
61.79467	0.1
63.02372	0.3
67.05497	0.8
69.03417	2.3
69.07046	1.4
71.04980	0.7
79.05473	0.6
81.03392	5.1
81.07037	1.6
83.04950	0.2
83.08612	0.2
85.02892	2.7
87.04455	0.3
89.03893	3.0
91.05462	0.9
92.09003	1.3
93.07019	0.8
95.04935	0.2
95.08609	1.1
96.08929	0.2
97.02885	1.3
99.04445	0.7
103.05462	0.6
104.10722	0.3
105.06993	0.4
107.08588	1.0
109.02876	1.6
109.10142	1.0
111.04425	0.2
111.11697	0.6
115.03892	0.2
117.03358	16.6
117.06986	0.2
119.04922	0.4
119.08571	0.7
121.06488	0.2
121.10127	0.8
123.04445	0.2
123.08039	0.2
123.11644	0.2
124.05180	0.2
125.09593	0.2
127.03901	0.9
129.07016	0.2
131.04930	0.4
131.08537	0.3
133.04933	0.1
133.10059	0.2
134.03613	0.8
135.04379	1.2
137.05934	0.6
137.09682	0.2
143.08583	0.2
145.02827	63.9
145.10101	0.3
146.03146	0.2
147.04382	0.7
147.11668	0.2
149.05960	8.4
151.07584	0.2
157.10126	0.6
159.11711	0.2
163.03825	1.3
165.05469	0.2
169.10002	0.2
173.13284	0.2
175.08684	0.2
177.05432	100.0
178.05753	1.3
186.05441	0.6
195.06482	1.7
281.22491	0.7
282.22845	0.2
299.23605	0.3
321.09607	4.8
339.10663	8.4
340.10989	0.2
371.12170	0.2
408.79227	0.2
409.59506	0.2
436.66724	0.1
440.15717	0.2
545.21545	0.2
618.74054	0.2
647.31848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49999	7.2
55.05502	16.1
56.84953	5.9
60.39766	7.0
60.96579	6.4
67.05479	14.1
69.07059	8.7
73.73692	7.7
75.04446	89.9
79.05477	11.7
81.07034	15.0
85.06483	14.8
88.13923	6.1
89.06020	100.0
91.05452	35.0
92.08985	28.6
93.07031	30.6
95.04946	9.0
95.08604	14.4
99.61387	8.1
100.47843	7.6
105.07025	64.8
107.08594	35.9
109.06480	14.2
109.10129	10.7
111.08073	8.4
117.07007	17.2
119.08557	69.7
121.10104	13.2
123.08051	14.7
129.06979	10.3
131.08546	18.2
133.10097	37.7
142.07747	10.5
143.08553	33.8
145.10072	47.6
149.09587	11.2
155.08514	9.7
156.09245	8.8
157.10088	15.1
159.08047	14.3
159.11613	9.1
161.09700	8.7
169.10097	8.8
171.11670	12.1
175.14833	10.1
195.11641	13.8
197.09435	7.8
666.56635	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	646.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17275	6.0
52.33137	6.1
55.05496	36.4
57.03423	14.8
59.38044	7.8
59.79326	6.4
67.05491	87.3
68.08839	10.0
69.07060	37.2
75.63628	7.5
79.05473	99.5
81.07048	92.8
83.08609	7.5
91.05466	100.0
92.09276	13.0
92.63018	7.9
93.07016	94.1
95.08585	67.8
105.07022	76.4
107.08585	47.3
109.10171	16.8
117.07017	9.9
119.08543	66.5
121.10123	34.1
131.08565	43.8
132.61105	8.8
133.10127	56.4
134.54486	7.8
145.10139	15.2
147.11684	32.9
157.10156	9.6
159.11690	17.1
161.13278	11.4
167.13567	7.8
241.19324	8.6
250.58691	7.9
259.20474	38.9
333.24234	38.2
335.25769	33.2
611.46484	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.2
53.03944	2.8
55.01874	2.2
57.03423	7.9
61.02912	11.8
67.05490	2.6
69.03421	24.0
71.04992	2.4
73.02866	2.9
81.03397	9.4
81.07037	5.6
85.02891	100.0
87.04454	1.7
91.03925	2.3
93.07031	5.4
95.08594	6.1
97.02872	36.1
99.04450	2.6
101.02319	1.3
104.41585	1.2
105.07024	9.0
107.08604	3.1
109.02855	8.5
109.10157	6.3
119.08584	5.9
121.10111	1.7
123.11656	1.4
127.03902	23.6
131.08521	5.7
133.10106	3.5
135.11716	3.4
145.04947	26.2
145.10098	1.8
147.11697	5.7
148.98161	1.4
149.13240	2.8
161.13232	6.0
163.05977	10.2
163.14847	1.4
173.13268	1.6
175.14838	3.2
184.54616	1.4
187.14799	2.4
201.16328	3.0
224.88301	1.5
257.22598	46.9
262.23282	1.8
291.70981	1.5
303.23157	34.1
333.16574	10.4
333.20279	20.0
334.16840	2.5
334.20541	10.2
447.27057	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	644.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.1
53.03950	1.8
53.98186	1.0
55.01859	2.2
55.05499	5.7
57.03425	29.3
59.04990	5.6
61.02908	5.5
67.05484	7.6
69.03413	96.1
69.07047	6.2
71.01308	1.2
71.04960	2.9
73.02897	5.0
75.04454	2.6
79.05465	8.5
81.03399	13.4
81.07036	17.8
82.75954	1.2
83.04980	8.9
83.08601	7.2
85.02885	100.0
85.06497	1.6
87.04446	55.1
91.05465	9.9
92.08830	5.0
92.09342	1.3
93.07014	17.0
95.04953	2.1
95.08590	15.6
97.02866	84.1
97.06519	1.2
98.76974	1.4
99.04437	5.1
101.06009	6.6
103.03909	2.8
105.07000	17.8
107.04923	2.0
107.08572	17.8
109.02869	10.1
109.10136	14.6
111.04415	6.5
111.08037	1.5
115.03907	70.4
117.06987	2.2
119.08556	11.1
121.02828	2.4
121.06423	1.6
121.10131	10.9
123.04383	1.9
125.17079	1.1
127.03879	13.5
129.07021	1.8
131.08521	17.1
133.04935	55.0
133.10106	12.8
135.04387	1.5
135.08022	2.5
135.11668	14.7
137.05948	4.9
137.09579	1.8
141.07036	1.5
143.08530	5.9
145.02930	1.5
145.04929	14.3
145.10085	24.6
147.04324	2.3
147.11674	12.3
149.13245	4.7
150.07608	1.8
151.03937	1.4
151.11165	5.4
153.09027	1.5
155.08528	2.6
157.10078	14.2
159.11658	18.6
161.13219	7.8
163.05971	2.4
163.11150	6.1
164.88177	1.2
165.09055	2.5
169.04875	2.3
169.10117	6.0
171.11690	6.6
173.13234	6.1
175.11151	1.4
175.14813	4.9
177.05423	5.0
181.04843	1.9
181.10074	2.4
183.11703	8.7
185.13248	6.5
187.11177	5.5
187.14792	4.6
195.11676	2.4
197.13228	10.1
199.14777	2.4
209.13184	2.9
211.14851	2.9
215.14305	3.0
215.17850	1.9
223.14813	7.6
225.16412	2.1
237.16376	1.9
239.17882	7.9
241.07043	1.5
241.19473	3.0
251.17876	5.2
253.19405	2.8
255.20981	14.8
259.08096	5.2
269.19339	1.3
269.22580	7.0
277.09076	2.7
279.21024	31.6
285.16895	3.0
295.10138	12.8
297.22028	41.2
315.23135	71.9
323.14746	2.1
333.24152	58.7
344.27261	1.3
367.53995	1.3
521.56433	1.3
570.25922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17444	0.3
53.00306	0.4
53.03942	0.6
55.01857	0.5
55.05490	1.4
57.03431	9.2
59.04975	1.9
61.02907	0.7
66.47753	0.4
67.05487	6.0
69.03417	27.3
69.07046	1.6
69.51569	0.4
71.04980	2.9
73.02898	0.9
75.04466	1.7
79.05466	3.7
81.03406	0.9
81.07037	20.7
81.43050	0.4
83.04959	0.5
83.08617	1.7
85.02893	20.5
85.06529	15.6
87.03934	0.6
87.04450	16.2
88.12597	0.3
89.55061	0.4
91.05447	4.4
93.07027	7.6
94.34823	0.4
95.08583	11.0
97.02252	0.8
97.02871	22.4
97.06507	2.1
97.10143	0.8
99.04438	1.8
99.08017	0.4
105.07011	9.5
107.08588	6.7
109.02847	0.4
109.10134	4.4
111.04432	0.6
115.03909	20.6
117.07006	4.1
119.07829	0.4
119.08565	4.2
121.10103	5.4
123.08053	0.5
125.09517	0.4
127.03883	2.2
128.06180	0.4
129.06966	2.7
131.08537	13.6
133.04933	15.1
133.10129	5.9
135.11690	3.1
137.09584	2.0
141.06947	0.5
142.07726	0.6
143.08521	7.1
144.10793	0.4
145.04970	2.1
145.10103	11.4
147.11655	7.6
149.13167	0.5
151.11165	1.9
155.08533	5.0
157.10104	18.1
158.79147	0.4
159.11665	22.7
161.13228	3.4
163.11269	0.6
169.10078	3.7
171.11653	7.9
173.13214	4.4
175.14793	0.5
177.05461	0.4
181.10075	2.6
182.10925	0.4
183.11667	8.1
185.13246	5.2
187.11096	0.5
187.14810	0.9
189.12726	2.4
194.10760	0.5
195.11667	6.4
197.13234	7.9
199.14835	3.9
203.14301	0.6
209.13208	8.5
211.14824	3.4
213.16422	4.1
215.14232	5.1
217.15939	1.3
223.14764	11.4
225.16360	0.6
227.14377	0.5
227.17900	1.6
229.15858	2.0
231.17377	0.8
237.16359	2.3
239.17822	4.3
241.15759	2.8
251.17877	4.4
253.19435	4.8
255.17389	3.0
255.20982	0.6
259.08087	2.3
269.19089	0.4
271.20538	0.5
277.09155	0.5
279.17899	0.8
279.20969	21.0
279.23807	1.0
283.20432	2.7
295.10147	3.7
295.20438	3.3
297.22058	100.0
298.22287	1.6
299.23505	1.0
315.23090	22.3
429.26431	3.2
441.26257	0.6
447.27283	2.0
459.27313	0.6
477.28455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68040	0.6
53.03936	0.6
55.05499	3.0
55.75144	0.6
57.03179	0.7
57.03431	15.3
59.04980	3.8
60.04519	1.1
67.05492	4.5
69.03416	44.9
69.07054	3.5
71.04975	3.6
73.02882	0.8
75.04453	1.5
79.05464	4.6
81.03388	1.7
81.06590	1.0
81.07033	17.1
83.04951	0.7
83.08579	1.6
84.04511	0.7
85.02885	31.8
85.06531	11.8
87.04446	23.8
91.05453	4.7
92.08924	4.2
92.77840	0.6
93.07042	8.7
95.04966	0.9
95.08593	12.7
97.02868	35.1
97.06503	1.1
99.04411	1.1
105.07000	14.8
107.08565	10.5
109.06503	0.8
109.10137	8.4
115.03909	32.4
117.07011	5.1
119.08557	6.5
121.10107	6.7
123.08067	2.8
123.11695	1.0
127.03897	3.3
129.06998	3.9
131.08546	14.8
133.04950	24.4
133.10138	8.9
135.08073	0.8
135.11652	3.2
137.09625	1.0
140.24533	0.8
141.06960	1.0
142.07758	1.2
143.08565	5.4
143.30304	0.7
144.09273	1.5
145.04927	3.7
145.10107	16.4
147.11671	17.4
150.07545	5.0
151.11176	3.9
151.53705	0.7
155.08508	11.6
157.10086	19.1
159.11662	45.7
161.13243	3.0
163.11179	0.8
167.07030	1.1
167.08450	0.6
169.10098	4.8
171.11630	8.9
173.13197	8.9
175.14813	1.1
177.05504	1.2
181.05045	0.8
181.10054	3.1
183.11659	7.4
185.13214	6.9
187.14804	0.9
189.12714	1.2
195.11662	3.9
197.13205	8.1
199.14844	4.6
209.13226	8.5
211.14799	3.1
213.16336	2.9
215.14323	3.9
223.14767	15.3
227.17912	2.7
237.16393	5.1
239.17920	4.5
241.15771	2.7
251.17824	4.2
253.19348	7.0
255.17363	3.6
255.20747	0.9
279.21002	23.0
283.52823	0.8
295.10059	3.0
295.20398	1.4
297.22073	100.0
298.22214	1.1
315.23099	15.0
333.24338	1.0
429.26340	1.5
474.72714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.1
54.81897	0.4
55.01851	1.7
55.05500	8.4
56.53135	0.4
57.03430	8.9
59.05005	0.5
61.02912	13.0
61.61045	0.3
67.05492	11.4
69.03107	0.5
69.03413	6.9
69.07050	4.4
71.04953	3.2
73.02891	6.0
73.72872	0.4
76.69939	0.4
79.05045	0.7
79.05472	13.2
81.03397	51.1
81.07034	14.7
83.04965	10.9
83.08116	0.8
83.08598	18.3
85.02887	31.4
85.06520	0.9
87.04438	1.7
91.03936	11.1
91.05461	16.6
93.07014	11.2
95.04939	18.7
95.08582	7.0
97.02863	10.8
97.06493	3.1
97.10154	3.5
99.04411	1.7
99.08061	0.5
105.06358	0.6
105.07014	13.9
107.04916	4.6
107.08582	5.5
109.02850	2.3
109.06483	4.1
109.10125	4.2
111.04411	2.5
111.08047	9.7
113.05969	1.9
115.03890	0.9
115.05466	1.6
117.06970	0.7
119.04923	0.6
119.08545	12.7
121.02837	3.5
121.06451	1.9
121.10126	6.9
123.08015	2.1
123.11655	0.8
125.05917	0.5
125.09589	0.8
127.03892	3.5
129.05452	0.5
129.06972	6.7
131.08522	8.1
133.04973	0.5
133.06461	1.8
133.10092	9.2
135.11661	1.6
137.05937	2.7
137.09598	4.0
138.06255	0.4
139.03845	0.7
142.07761	2.0
145.02763	0.5
145.04971	3.3
145.10092	2.1
147.04373	0.8
147.08055	3.5
147.11665	12.8
149.09561	5.2
151.07497	0.6
151.11163	0.5
153.12675	0.9
157.10109	12.0
158.10437	0.5
159.11684	0.5
163.03871	0.5
163.05954	4.6
165.09081	1.8
165.12662	3.4
167.07057	0.8
171.13664	0.6
175.11137	12.8
177.05490	0.6
193.12199	47.1
193.74190	0.4
211.13239	30.2
229.14326	0.8
267.15875	14.3
285.16901	100.0
286.17300	0.5
303.17712	1.2
429.20932	0.8
654.26025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
54.83284	0.4
55.01847	1.1
55.05499	6.7
55.61575	0.4
57.03174	0.7
57.03425	11.2
60.32046	0.5
61.02912	10.5
65.03908	0.6
67.05200	0.6
67.05492	10.7
67.78022	0.5
68.99240	0.5
69.03136	0.5
69.03413	6.8
69.07059	3.6
70.06560	0.9
71.04973	4.7
73.02897	4.8
79.05464	10.4
81.03396	38.0
81.06604	0.5
81.07039	14.7
83.04956	11.4
83.08598	15.4
85.02885	28.8
85.06525	1.2
87.04433	1.1
91.03934	7.3
91.05454	16.1
92.09026	3.2
93.07035	11.0
95.04948	16.2
95.08592	5.3
97.02864	7.5
97.06493	2.4
97.10136	2.3
99.04421	0.9
99.08048	0.8
105.07010	12.6
106.99663	0.5
107.04920	3.3
107.08580	4.9
109.02827	1.1
109.06466	2.7
109.10111	2.9
111.04407	1.0
111.08069	7.4
113.06007	1.0
115.03863	0.7
115.05463	0.8
117.06980	1.1
119.04879	0.8
119.08553	11.8
121.02872	0.5
121.06441	0.8
121.10122	6.4
123.08031	1.1
123.11659	2.6
127.03905	3.6
129.07019	5.7
131.08545	6.5
133.04932	0.9
133.06424	2.2
133.10097	7.0
135.11610	0.9
136.84904	0.4
137.05919	0.8
137.09569	2.2
140.40298	0.5
142.07756	1.0
145.02786	1.0
145.04939	2.8
145.10046	1.1
147.04385	1.8
147.08000	2.0
147.11641	10.2
149.09567	4.1
157.10101	9.6
163.05991	2.3
165.12700	2.6
167.06953	0.5
175.11136	11.0
177.05440	0.9
193.12192	31.6
205.18956	0.5
211.11365	0.9
211.13257	20.1
229.14305	0.5
234.06863	0.5
258.48224	0.6
267.15787	6.5
276.40695	0.5
285.16888	100.0
286.17111	0.6
301.03192	1.2
395.27859	0.5
429.21002	1.8
447.22104	3.3
608.73773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	2.2
53.32475	1.9
55.05498	4.3
57.06813	3.1
57.07066	57.3
62.68538	2.3
67.05490	2.1
69.07033	9.4
71.08611	43.1
73.06512	5.9
73.84167	2.0
83.08594	5.5
85.10165	24.8
87.04446	3.6
87.41147	2.5
88.21789	2.3
88.62704	2.2
89.06013	100.0
92.09393	5.7
93.07104	2.7
97.10141	6.1
107.07019	3.1
117.09064	4.0
133.08568	34.5
170.58324	2.6
177.11185	18.1
177.88637	2.4
179.33733	2.4
221.13768	3.2
299.29364	13.4
343.32007	4.0
384.03369	3.0
415.24985	8.4
489.31210	2.9
499.71024	2.9
577.32135	2.8
625.48877	20.0
634.02930	2.6
642.51282	8.7
643.24359	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57893	0.8
65.45264	0.8
67.05502	2.0
81.07029	1.7
93.07018	1.4
95.59279	0.8
105.07024	1.2
105.48554	0.8
107.08565	0.8
109.10085	0.9
131.37265	0.7
137.13954	0.8
158.98207	1.0
190.36523	0.9
196.79893	1.0
264.51874	0.9
303.26599	0.8
343.30707	0.9
396.11948	1.0
397.13052	1.5
410.13782	1.6
411.14771	5.9
412.15121	3.0
413.16119	1.1
425.16150	12.3
426.16785	10.6
427.17450	3.2
428.18375	0.9
438.13162	3.5
439.13455	12.8
440.18774	6.5
441.19226	40.1
452.14359	1.7
453.15237	14.3
454.16223	4.8
467.17035	31.6
468.17844	15.5
469.18713	14.2
481.14697	14.8
482.15387	1.8
485.18317	1.5
495.16537	3.6
496.17413	14.8
497.18179	2.7
509.18091	1.3
514.22058	1.2
523.19629	1.3
527.22632	1.9
542.21545	1.0
555.22113	20.7
555.29987	1.3
583.21753	100.0
584.22125	5.5
611.21527	1.3
615.24225	8.3
642.23248	1.2
643.23804	60.7
644.23792	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	642.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78304	1.2
53.03926	2.3
55.01854	1.5
55.05505	9.9
57.03426	21.1
59.04994	1.6
61.02905	7.5
66.29041	1.3
67.05491	6.0
69.03417	18.9
69.07053	1.4
71.04967	13.8
73.02896	14.6
75.04050	2.6
75.04462	60.0
78.33084	1.2
79.05431	1.7
81.03391	8.1
81.07043	14.3
83.04967	27.5
83.08597	1.8
85.02886	100.0
85.06515	11.2
87.04442	3.1
91.05453	3.0
93.07026	10.5
93.75915	1.2
95.08602	9.4
97.02861	27.4
99.04436	5.6
101.05993	6.5
105.06984	11.6
107.08565	7.9
109.02850	3.2
109.10138	7.2
111.04418	20.3
119.08557	10.3
121.10121	8.8
123.11659	2.9
127.03881	18.1
129.05450	12.6
129.07033	1.9
131.08553	10.4
133.10106	9.9
135.11687	6.2
143.08560	6.8
145.04932	18.9
145.10114	8.0
147.06592	1.8
147.11662	10.2
147.64207	1.4
148.11928	1.3
149.13203	12.5
157.10088	2.5
159.11655	14.3
161.13197	18.9
163.06042	3.3
169.10141	1.4
171.11636	10.7
173.13315	5.2
175.14818	6.7
183.11668	1.6
185.13260	2.9
189.12692	2.6
199.14742	3.0
211.14760	5.1
217.11671	1.5
225.16362	6.6
233.88104	1.6
234.91116	1.4
240.59061	1.6
255.08499	1.6
273.09604	2.5
281.19815	1.4
281.22574	38.0
299.23639	49.8
317.24710	13.0
488.96051	1.4
493.11749	1.5
625.46808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.05497	2.2
57.03428	10.0
57.07052	0.5
59.04984	2.1
61.02905	0.6
62.08292	0.5
67.05489	2.5
69.03418	25.4
69.07054	2.9
70.82896	0.4
71.04968	1.0
75.04466	2.1
79.05471	3.6
81.03416	1.0
81.07045	10.4
83.04959	2.2
83.08614	1.0
85.02893	20.2
85.06519	1.2
87.04459	13.4
91.05445	3.8
93.07035	5.2
95.04939	1.3
95.08588	12.9
97.02878	17.1
97.06512	9.2
99.04453	0.7
99.08052	0.7
105.07017	9.4
107.04919	0.7
107.08561	7.1
107.74039	0.5
109.02878	0.6
109.06504	20.1
109.10146	5.3
111.08074	0.8
115.03918	13.2
117.06963	2.3
119.08562	19.0
121.06481	3.7
121.10115	5.1
123.08027	5.3
123.11679	2.9
127.03884	2.5
129.06940	0.8
131.08548	5.3
133.04935	10.1
133.06439	1.4
133.10100	15.3
135.08070	4.4
135.11670	3.5
137.09595	2.1
143.08560	5.4
145.04941	2.8
145.10106	11.1
147.08032	3.1
147.11676	6.7
149.09639	3.7
149.13264	2.6
151.11182	0.7
155.08582	2.0
156.09282	0.9
157.10074	4.9
159.11681	5.9
161.09581	6.7
161.13234	4.8
163.05972	0.5
163.11157	3.9
163.14777	1.0
169.10071	4.4
171.11668	28.9
171.13170	0.9
173.09541	1.2
173.13226	6.9
175.11145	2.2
175.14774	4.7
177.05440	1.3
177.12733	3.2
183.11624	4.7
185.13226	4.0
187.11154	1.1
187.14796	2.6
189.12721	3.2
195.11678	2.5
197.13245	4.8
199.11212	0.8
199.14795	2.3
201.12811	2.6
202.13553	0.5
203.14294	2.6
205.15849	1.1
207.11667	2.2
209.13216	0.8
211.14799	3.5
213.12666	1.1
213.16357	2.8
215.14291	2.0
215.17979	1.1
217.15898	3.4
219.13734	0.6
221.13202	3.2
223.14812	0.9
225.12807	0.7
225.16348	1.3
227.14325	2.0
233.18977	1.1
235.14574	1.2
237.16347	5.5
239.14314	2.8
239.17914	1.1
251.17867	2.8
253.19510	9.3
255.17389	5.3
257.18900	3.7
265.15802	0.8
267.20947	1.1
269.18921	3.2
271.20496	8.7
277.19455	8.4
280.18167	1.0
295.20511	40.0
299.23584	2.4
313.21570	82.4
314.21878	1.1
331.22629	100.0
350.60022	0.5
388.80954	0.5
498.59497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83768	1.7
55.05491	13.7
57.03414	12.7
57.07064	4.4
63.43831	2.4
67.05487	27.8
69.03410	43.8
69.07051	30.5
71.04969	5.7
72.06678	2.4
72.26138	2.1
79.05463	20.4
81.03393	11.8
81.07036	82.2
83.04971	4.3
83.08590	16.4
85.02896	44.4
85.06532	12.6
86.09682	2.5
87.04436	23.1
89.03873	3.0
91.05445	16.3
92.08651	8.1
93.07026	28.8
95.04932	4.4
95.08585	55.8
96.08916	3.2
97.02860	33.0
97.06485	11.9
97.10155	3.6
99.04417	14.3
99.08060	2.8
103.92084	2.4
105.07013	36.0
107.08575	29.6
109.02831	3.7
109.06474	4.6
109.10143	30.8
111.04420	2.7
111.08044	11.3
111.11713	2.9
113.05948	3.5
115.03912	18.8
117.03364	3.0
117.07007	9.6
119.08559	28.8
121.06449	2.5
121.10130	17.8
123.08044	13.0
123.11703	10.9
124.08355	3.1
125.05949	3.0
125.09549	2.8
125.13242	2.6
127.03842	5.6
129.06999	4.2
130.07814	2.6
131.08549	17.6
133.04901	12.5
133.10101	25.0
135.08041	2.9
135.11609	11.6
137.05899	10.2
137.09561	12.1
137.13252	3.9
139.07524	4.4
143.08539	18.2
145.02780	5.2
145.04927	4.2
145.10085	16.9
147.11650	11.0
149.09592	4.9
149.13200	14.0
153.09111	2.5
155.08495	4.0
157.10115	26.1
159.11653	33.5
161.05986	2.9
161.09581	5.0
161.13258	24.7
161.44113	2.6
165.09074	14.2
167.07050	3.3
169.10077	6.1
171.11610	12.6
173.13179	10.1
175.11096	2.7
175.14702	3.7
177.05421	5.6
181.04922	4.3
183.11633	4.9
185.13202	9.8
189.12720	3.7
191.10539	3.6
195.11644	10.6
197.13272	5.6
199.14764	9.8
201.16365	5.8
203.10774	3.0
209.13257	4.6
211.14673	5.2
221.13252	3.5
225.16342	10.6
233.15240	2.8
235.14717	2.6
237.16322	5.1
249.16380	3.3
251.17906	3.9
253.19478	13.0
277.19446	20.1
293.28192	3.0
294.28430	2.9
295.20364	24.9
303.04825	3.1
313.21518	58.5
329.21082	5.2
330.21390	5.6
331.22607	100.0
348.22809	2.6
396.38333	2.6
439.35422	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.0
53.40158	0.8
55.05502	28.1
55.70197	0.7
57.03406	3.7
57.07063	19.8
57.46430	0.7
57.48562	0.7
67.05487	26.0
68.25243	0.8
69.03410	12.3
69.07050	79.5
71.04973	1.4
71.08607	9.7
73.02938	0.9
73.06521	1.6
77.30138	0.8
79.05461	13.8
81.03381	1.0
81.07034	100.0
83.08597	38.4
85.02873	12.6
85.06528	9.0
85.10153	1.5
87.04439	5.6
91.05470	1.5
92.09247	1.1
93.07011	18.4
95.08579	96.3
95.46722	0.8
96.08878	1.3
97.02853	8.2
97.06515	1.3
97.10141	25.2
99.08062	10.2
105.07004	1.9
106.07225	0.9
107.08557	20.7
109.06491	1.1
109.10135	61.5
111.08051	3.8
111.11695	21.3
113.09602	4.0
115.03894	5.1
119.08498	1.2
121.10119	13.7
123.11674	36.2
125.13219	10.3
127.03851	1.3
127.11147	0.9
133.04938	3.4
133.10059	1.1
135.11685	10.9
137.13226	25.5
139.11131	1.7
139.14830	1.3
145.04955	0.9
149.13239	14.5
151.14764	9.2
153.12741	1.0
159.11694	1.0
163.14783	10.1
165.16328	4.7
167.14265	1.6
177.16350	3.5
179.17958	3.2
191.17809	3.3
193.19481	4.2
205.19484	4.5
207.21048	5.4
211.20538	1.9
219.20963	3.4
223.20541	3.3
224.21367	0.9
239.23759	1.0
248.94891	1.0
263.27206	5.7
275.27206	8.4
281.28302	27.4
293.28305	36.0
299.29410	18.5
311.29306	23.0
329.30383	25.2
495.80829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.1
57.03417	3.8
57.06816	0.8
57.07065	15.6
59.04995	0.5
61.02925	0.6
61.95232	0.5
67.05144	1.0
67.05491	26.4
69.03414	9.0
69.07050	57.7
71.04976	1.1
71.08613	5.0
76.56696	0.6
79.05466	9.5
81.03378	1.1
81.07034	89.5
83.04942	0.6
83.08602	31.7
85.02878	11.0
85.06517	10.0
85.10151	2.9
86.02766	0.5
87.04439	2.9
91.05456	1.4
93.06471	1.0
93.07014	14.9
95.04931	0.9
95.08579	100.0
97.02875	7.7
97.06494	1.2
97.10141	22.1
97.10750	1.0
99.04412	0.8
99.08064	7.1
105.06996	2.7
107.08571	19.3
109.02856	0.6
109.06502	0.9
109.10138	57.4
111.08057	2.3
111.11695	15.8
113.05968	1.1
113.09635	0.8
115.03886	3.8
117.07014	0.6
119.08515	1.2
121.10103	11.2
121.35563	0.5
123.08057	0.6
123.11682	31.3
125.13226	7.3
127.03909	0.8
127.11169	3.1
129.12726	1.0
133.04919	3.0
135.11655	8.9
136.26639	0.6
137.13222	18.4
143.14278	1.0
145.10042	1.4
147.11607	0.7
149.13243	17.5
151.14775	13.4
155.14220	0.8
157.15921	0.8
159.11647	0.8
163.14746	9.6
165.09019	2.3
165.16377	6.2
167.14230	3.1
169.15761	1.1
177.16344	2.7
179.17885	3.8
181.15988	0.7
183.17430	2.4
191.18010	2.3
193.19525	1.4
205.19427	2.6
219.21008	3.8
223.20537	0.8
249.25676	3.7
263.27277	2.3
267.26932	1.1
275.27237	8.8
281.28348	9.7
293.28320	26.7
311.29333	27.4
329.30402	11.4
637.90381	0.6
641.34235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.9
53.03934	1.0
55.01856	0.9
55.05265	1.1
55.05503	20.7
57.03415	2.6
57.06809	1.1
57.07064	17.8
61.02918	0.8
67.05140	1.1
67.05489	26.8
69.03412	10.7
69.07052	67.0
71.04968	1.4
71.08616	6.8
75.04475	0.8
79.05477	11.1
81.03408	0.9
81.07034	100.0
83.08600	39.1
85.02888	11.7
85.06530	10.0
85.10164	2.7
87.04440	6.2
91.05454	3.0
92.08787	1.3
92.09295	0.7
93.07020	28.1
95.04942	1.2
95.08581	90.5
97.02861	10.1
97.06494	3.7
97.10144	22.0
99.08090	7.9
103.03850	0.6
105.07011	3.5
107.08576	33.8
109.06493	0.8
109.10137	61.0
111.08060	6.1
111.11694	15.8
113.09639	1.1
115.03909	6.3
119.08559	2.7
121.10116	17.3
123.04382	0.7
123.11679	44.0
125.09540	0.7
125.13237	9.1
127.03912	1.5
127.11139	1.2
133.04913	5.5
133.10135	1.2
135.11671	10.4
137.13232	20.4
139.11169	1.2
139.14862	2.1
145.04929	1.0
149.13225	38.1
151.14804	7.6
153.12712	2.7
155.14284	2.8
157.10013	0.8
159.11642	0.6
163.05978	1.0
163.14787	9.6
165.16338	5.0
167.14288	11.4
169.15895	2.7
173.13271	0.9
177.16348	3.7
178.63857	0.6
179.17891	5.5
191.17921	1.4
193.19481	3.9
205.19446	2.6
211.20525	0.8
219.21028	3.3
229.54530	0.7
237.22070	0.8
247.13145	0.6
249.25726	4.6
259.07935	0.6
274.03104	0.7
275.27289	17.5
281.28305	1.2
293.28323	52.7
311.29367	31.5
329.30457	4.1
407.31769	1.5
462.37811	0.7
473.34683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60040	0.8
53.03940	1.4
55.05505	26.1
57.03421	3.8
57.07065	19.4
59.05001	2.0
64.33625	0.9
65.03932	0.7
67.05493	27.8
69.03416	10.6
69.07053	66.4
71.04984	3.9
71.08603	8.7
77.47708	0.8
79.05472	11.0
81.03407	1.3
81.07037	100.0
83.04998	1.0
83.08605	43.0
85.02889	12.2
85.06537	8.5
85.10188	1.3
87.04456	4.8
91.05474	1.3
92.08984	3.7
93.07020	18.5
95.04951	0.9
95.08585	97.6
97.02876	9.9
97.06522	1.2
97.10149	22.9
99.08069	10.0
105.07052	1.3
107.08584	18.5
109.06508	1.3
109.09383	2.2
109.10143	66.9
110.10460	1.0
111.08073	4.6
111.11701	18.1
113.09599	1.2
115.03916	4.0
119.08575	1.3
121.10129	13.6
123.08060	1.2
123.11684	35.7
125.09663	1.1
125.13253	9.9
127.03934	1.0
127.11160	4.2
133.04979	1.6
135.11649	13.0
137.13242	21.0
139.11172	1.0
149.13251	19.9
151.14795	10.5
155.14311	1.4
161.13271	1.0
163.14766	8.9
165.09015	1.2
165.16383	5.4
167.14301	5.6
177.16420	1.7
179.17929	4.2
191.17911	3.7
193.19472	4.5
205.19453	2.0
207.20967	1.3
211.20544	1.5
219.21025	1.9
223.20396	1.1
263.27319	3.9
271.19128	1.0
275.27304	8.0
281.28320	29.2
288.04526	0.9
293.28348	35.0
293.31693	1.2
299.29459	1.4
311.29379	34.9
321.65701	0.9
329.30463	14.9
336.98810	1.1
347.31882	1.2
437.32715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.1
53.03928	0.7
54.81705	0.8
55.01852	1.4
55.05270	1.1
55.05505	23.3
57.03443	2.7
57.07064	19.7
59.04984	1.4
62.72670	0.7
67.05491	29.8
69.03413	12.6
69.07052	65.6
71.04984	2.9
71.08614	8.8
74.09692	0.8
79.05460	10.0
80.36778	0.9
81.03368	1.7
81.07037	100.0
82.07375	1.1
83.08120	1.5
83.08602	36.9
84.37639	0.8
85.02882	12.4
85.06527	36.0
85.10152	4.3
87.04430	5.6
91.05453	5.0
93.07024	18.6
95.04946	1.4
95.08582	97.7
96.08912	1.6
97.02868	6.8
97.06497	1.2
97.10149	24.3
99.04417	1.2
99.08111	6.4
105.06998	4.8
107.08580	21.2
109.10139	62.8
110.10480	1.4
111.08053	4.9
111.11693	15.7
113.09602	1.5
115.03893	4.4
119.08524	1.8
121.10113	16.4
123.11675	33.9
125.09608	1.7
125.13243	7.6
127.11154	3.6
129.12679	1.1
132.85722	0.8
133.04945	3.5
133.10075	1.9
135.11659	10.5
136.20183	0.9
137.09621	1.3
137.13234	20.2
140.85652	0.8
149.13239	17.6
151.14815	9.2
155.14256	3.9
163.14786	11.2
165.09071	12.3
165.16338	6.8
167.06964	1.0
167.14278	5.3
169.15802	1.5
177.16370	3.2
179.17906	4.6
182.81987	0.8
183.17380	1.1
191.17877	3.7
193.19502	1.9
205.19479	1.2
207.21054	1.3
219.21042	4.2
263.27161	1.1
275.27255	12.5
281.28317	16.0
293.28326	38.1
299.29208	0.9
311.29312	24.8
329.30438	20.2
333.93393	0.9
347.31006	1.0
360.06308	0.9
365.76709	0.9
381.82791	0.9
383.41336	0.9
641.33704	1.4
642.45337	1.1
655.87683	1.0
656.76959	1.1
671.79199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01857	3.7
55.05499	6.5
57.03215	0.4
57.03428	7.2
57.07057	2.1
59.04998	0.8
61.02914	9.2
65.03931	0.6
67.05491	8.4
68.74423	0.4
69.03413	24.2
69.07047	9.3
71.04963	4.9
73.02895	4.1
79.05474	11.3
81.03408	11.0
81.07035	28.3
83.01312	0.6
83.04964	11.8
83.08595	6.0
85.02888	100.0
85.06535	0.6
87.04454	5.5
91.03938	4.7
91.05449	6.1
92.09258	1.0
93.07021	16.9
95.04947	2.2
95.08583	26.4
97.02870	32.1
97.03490	1.1
97.06505	95.8
97.10163	4.7
99.04418	6.1
101.02378	0.6
105.07018	13.4
107.04926	2.3
107.08570	21.0
109.02875	10.8
109.06497	81.3
109.10139	18.9
111.08036	0.7
111.11668	2.1
111.75186	0.5
113.05978	0.5
113.09622	0.5
117.06967	2.2
119.08560	14.0
120.50572	0.6
121.06519	4.6
121.10131	14.2
123.08052	15.5
123.11684	8.7
125.13245	0.6
127.03889	21.3
129.06966	1.1
131.08519	8.5
133.04916	0.8
133.06444	0.6
133.10088	14.9
135.08022	4.2
135.11646	10.0
137.05957	0.7
137.09555	3.1
137.13197	2.4
142.07698	0.5
143.08543	4.6
145.02895	0.8
145.04938	21.2
145.10098	7.3
147.08058	0.6
147.11656	9.7
149.08507	0.9
149.09602	15.4
149.13229	20.6
155.08479	2.4
157.10092	6.0
159.11644	9.2
161.09570	2.2
161.13226	8.5
163.06012	6.7
163.11142	5.0
163.14780	2.8
165.09067	1.3
169.10083	2.9
171.11639	6.8
173.13196	11.9
175.11098	2.2
175.14795	7.6
177.05411	2.3
177.12694	8.3
177.16379	2.4
183.11673	3.1
185.13237	7.7
187.14758	4.3
189.12718	2.3
189.16296	3.3
191.14227	0.6
191.17905	2.6
197.13220	2.7
199.14699	4.4
201.16423	2.1
203.14243	2.8
203.17931	3.4
211.14789	4.3
213.16324	2.2
215.14319	2.0
215.17885	2.0
217.15828	2.3
217.19519	3.0
225.16275	3.4
227.17905	0.9
229.15843	3.0
239.17883	2.1
241.19427	3.0
243.17311	2.3
253.19492	2.0
255.21043	2.5
273.22000	2.2
275.27203	0.9
281.22580	26.8
283.24158	0.9
293.28235	4.0
299.23618	86.1
300.23822	0.8
301.25134	0.7
311.29300	1.1
317.24683	80.9
461.28754	1.0
469.89322	0.6
479.29932	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	641.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01862	1.3
55.05507	4.3
57.03429	7.6
59.04980	0.6
61.02912	8.6
67.05492	7.0
69.03415	20.6
69.07058	5.1
70.06576	0.6
71.04979	7.1
73.02895	3.6
79.05467	8.8
81.03397	7.9
81.07039	17.2
83.08611	3.3
85.02890	100.0
85.06524	12.5
87.04452	4.3
91.03932	3.3
91.05455	7.6
93.07015	14.5
95.04940	1.3
95.08583	15.7
97.02867	24.2
97.06529	1.0
97.10148	2.2
97.14780	0.6
99.04425	4.9
99.08080	1.2
105.07006	12.6
107.08576	19.7
108.08909	0.6
109.02858	8.6
109.06509	0.6
109.10146	11.0
111.08106	0.9
113.09614	1.0
115.03910	0.9
117.03303	1.0
117.06989	2.4
119.08553	10.7
121.10120	11.7
123.08069	1.2
123.11674	2.8
127.03886	19.3
129.06985	3.0
131.08545	11.3
133.04924	0.7
133.10103	13.6
135.11685	9.2
137.09569	3.1
137.13249	0.8
137.48280	0.5
143.08554	4.9
145.02823	4.5
145.04933	19.1
145.10109	14.9
147.04411	1.0
147.11644	12.5
147.12706	0.6
149.13228	15.3
150.13593	6.3
151.11194	2.3
156.09341	0.6
157.10094	8.1
158.10886	0.6
159.11664	13.3
161.13213	12.2
163.05969	8.3
163.11163	2.8
163.14764	0.8
165.09077	1.3
165.12718	2.8
169.10100	3.1
171.11595	6.3
173.13210	10.3
175.14832	3.1
177.05392	5.1
183.11642	3.2
185.13246	6.8
187.14738	6.6
189.07195	0.6
189.12769	3.1
189.16356	0.8
191.14294	1.1
197.13127	4.1
199.14766	7.5
201.16383	3.3
203.14337	0.8
205.15883	1.0
211.14783	4.9
213.16354	2.4
215.17929	0.9
217.15944	1.0
225.16304	6.1
239.17950	3.1
241.19376	2.8
243.17409	1.1
253.19414	5.9
255.21107	2.5
271.20547	9.1
273.22302	0.7
281.22571	35.9
293.28357	0.6
299.23621	55.1
300.23923	0.9
303.05005	0.8
317.24698	35.0
325.10907	0.6
331.22665	0.9
333.45908	0.6
428.95670	0.6
479.29803	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	641.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
54.44473	0.7
55.01858	3.7
55.05488	6.7
57.03424	7.9
57.07059	3.7
61.02909	8.4
65.20829	0.7
67.05489	12.2
69.03065	1.4
69.03413	26.6
69.07050	14.0
71.04971	4.5
71.08614	1.5
73.02905	1.6
79.05468	13.1
81.03396	9.7
81.07034	36.1
82.07372	0.9
83.04958	11.0
83.08597	7.8
85.02883	71.8
85.06518	3.2
85.10171	0.8
87.04440	7.1
91.03938	3.7
91.05450	7.6
92.08886	6.1
93.07016	18.6
95.04967	1.7
95.08573	33.5
97.02866	28.8
97.06499	100.0
97.10141	3.7
99.04449	4.8
101.06000	1.1
105.07001	16.3
107.04939	1.6
107.08569	23.4
108.08907	0.8
109.02847	7.1
109.06493	79.1
109.10130	24.6
111.11675	1.6
113.05972	15.7
115.03902	3.4
117.06997	3.3
117.44168	0.8
119.08553	14.8
121.06468	8.4
121.10116	19.0
123.08032	17.6
123.11656	12.1
127.03889	14.0
129.06958	3.3
131.08505	8.8
133.04956	0.8
133.10078	15.8
135.08018	7.4
135.11627	10.3
137.09590	4.2
137.13237	1.7
143.08540	6.9
145.04933	16.3
145.10103	10.4
147.07991	0.9
147.11649	10.6
149.09575	13.3
149.13231	18.4
150.48419	0.8
151.14833	1.4
155.08536	3.4
157.10106	7.4
159.11656	17.2
161.09596	3.9
161.13213	9.4
163.05981	3.9
163.11143	4.1
163.14795	6.0
165.09055	17.7
165.16393	0.9
169.10089	1.8
171.11650	7.6
173.13214	10.2
175.11171	1.7
175.14783	9.2
177.12715	8.6
177.16327	0.9
183.11734	3.6
185.13184	7.8
186.33435	0.8
187.14799	3.8
189.12709	3.5
189.16275	2.6
191.17938	1.0
197.13226	3.4
199.14743	6.7
201.16287	1.6
203.14305	3.4
203.17943	7.4
208.15350	1.0
211.14748	9.9
213.16385	1.9
215.14256	1.0
215.17903	1.9
217.15790	3.0
217.19490	3.0
225.16338	5.3
227.17918	1.8
229.15849	5.0
229.19563	1.1
239.17885	3.1
241.19449	1.7
243.17453	1.0
247.16812	0.9
252.18655	1.2
253.19418	1.6
255.21019	1.9
257.18979	0.9
257.22452	0.9
264.25378	0.8
273.22269	1.4
280.95200	0.9
281.22583	31.4
281.28104	1.0
286.95569	0.9
293.28238	4.8
299.23624	79.6
311.29315	3.3
317.24670	97.3
318.25186	0.9
329.21063	1.2
421.96722	0.9
479.29898	67.9
480.30222	1.5
491.26147	4.6
648.47467	0.9
666.19788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	0.4
53.03940	1.9
55.01860	3.5
55.05505	4.9
57.03427	6.9
57.07067	2.0
61.02914	10.4
67.05489	9.2
69.03411	24.8
69.07051	8.3
69.07406	0.6
69.78804	0.5
71.01328	0.5
71.04968	4.5
71.08592	0.7
73.02898	4.7
79.05469	10.3
81.03393	11.3
81.07032	25.6
83.01327	0.8
83.04955	10.6
83.08595	4.5
85.02885	100.0
85.06543	0.9
87.04462	4.8
91.03918	4.5
91.05457	6.9
92.08651	0.5
93.07018	15.6
95.04926	1.0
95.08577	25.2
97.02869	29.5
97.06503	98.2
97.10134	3.3
98.48254	0.4
99.04427	4.7
103.03954	0.6
105.06999	12.2
107.04944	1.2
107.08575	19.0
109.02856	11.4
109.06495	84.5
109.10135	18.5
109.10837	0.9
110.06810	0.6
111.08083	0.8
111.11696	0.9
113.05972	0.5
115.03933	1.7
117.07001	2.4
119.07718	0.6
119.08550	13.5
121.06480	5.3
121.10109	15.0
123.08038	17.5
123.11652	7.6
125.13248	0.5
127.03892	20.9
129.06969	2.2
131.08531	9.4
133.04895	0.5
133.10104	13.5
135.08058	3.7
135.11642	8.3
137.09538	1.2
137.13258	2.5
143.08524	5.3
145.03044	0.6
145.04929	23.4
145.10107	6.9
147.08029	2.1
147.11664	9.5
149.09589	15.9
149.13228	19.6
151.11153	0.8
155.08521	0.7
157.10077	5.5
159.11647	8.4
161.09583	2.4
161.13229	6.4
163.05981	5.9
163.11133	3.0
163.14792	4.7
165.09108	1.9
165.16333	0.6
169.10080	2.6
171.11609	6.5
173.13228	11.6
174.13739	0.4
175.11086	2.3
175.14764	7.5
177.05426	2.1
177.12704	6.5
177.16306	2.0
183.11633	3.2
185.13223	6.4
187.14740	3.6
189.12761	1.7
189.16293	1.9
191.14194	0.6
191.17889	2.4
197.13161	2.2
199.14749	5.6
201.16304	1.0
203.14229	3.0
203.17902	5.8
211.14755	5.1
213.16307	3.1
215.14304	0.9
215.17891	3.3
217.15863	0.6
217.19421	2.4
225.16342	3.5
227.17842	0.9
229.15877	2.0
239.17859	1.9
241.19437	2.6
243.17360	1.0
253.19565	0.6
255.20934	3.1
257.22586	1.0
273.22131	1.0
281.22568	24.4
283.23978	0.6
293.28198	2.8
299.23624	83.3
300.23886	0.9
301.25027	1.0
306.65240	0.5
311.29224	1.0
317.24677	84.7
318.25003	1.0
329.30371	1.1
461.28485	0.8
479.29904	51.6
480.30157	0.9
555.10345	0.7
611.65051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.82045	0.4
55.01845	0.9
55.05496	1.1
57.03175	0.5
57.03431	9.4
57.89403	0.4
59.04982	1.8
59.28492	0.4
61.02910	1.8
67.05480	2.1
69.03418	28.0
69.07053	1.0
71.01368	0.4
71.04969	0.7
73.02898	0.7
75.04478	0.9
76.99877	0.4
79.05470	1.9
81.03392	3.0
81.07037	5.9
83.04973	4.9
85.02892	23.9
85.03415	0.8
85.06528	0.8
86.03249	0.6
87.04454	15.5
91.05463	2.4
93.07018	5.5
95.04942	1.8
95.08593	5.1
97.02869	20.4
97.05885	0.7
97.06510	20.8
99.04443	0.9
101.05977	0.9
105.07015	5.7
107.08571	5.4
109.02877	1.0
109.06503	19.8
109.10143	2.4
111.04425	0.6
115.03917	14.4
117.06985	0.8
119.04984	0.5
119.08526	3.9
121.06490	2.8
121.10161	1.8
123.04377	0.6
123.08044	11.5
127.03905	3.0
129.06989	0.9
131.08557	6.0
133.04951	10.9
133.10091	4.1
135.08003	1.1
135.11760	1.0
137.05940	1.1
137.09590	0.9
141.05302	0.5
141.06944	0.7
143.08568	5.0
145.02858	0.7
145.04930	2.5
145.10109	6.8
147.08026	1.6
147.11684	2.9
149.09602	2.1
151.07559	0.6
155.08514	2.8
156.09377	0.5
157.10104	5.9
159.08098	1.0
159.11668	4.1
161.09590	1.9
161.13153	0.7
163.11270	1.3
165.09015	1.0
167.07178	0.5
167.08493	0.6
169.10063	3.7
171.08011	1.0
171.11700	3.6
173.09586	7.1
173.13222	2.8
175.11174	1.9
175.14883	0.5
177.05496	2.0
177.12750	1.1
181.04965	0.8
181.10110	1.0
183.11673	2.9
185.09544	1.1
185.13263	2.6
187.11194	2.3
187.14838	0.7
189.12686	1.0
195.11684	2.6
197.13222	3.0
199.11179	2.3
199.14812	0.9
201.12761	1.0
203.14267	0.7
207.11748	0.6
208.12395	0.6
209.13249	2.8
211.11125	1.0
211.14801	1.8
213.12715	2.3
213.16258	0.7
215.14302	1.8
221.13193	0.6
223.14795	2.3
225.12781	0.8
225.16402	0.7
229.15854	1.1
233.13219	0.7
235.14807	1.8
237.12682	0.7
237.16374	1.9
239.14383	0.8
241.15848	0.9
243.17320	0.6
249.16396	1.9
250.13571	0.6
251.17862	3.4
253.15814	4.3
253.19568	0.8
263.17856	0.6
265.15750	0.6
265.19598	0.7
267.17325	0.9
269.18958	6.2
271.16910	1.9
271.20465	0.8
275.17950	1.0
278.16592	0.6
281.18842	3.6
293.18896	9.5
295.20511	0.7
311.19940	14.7
312.20248	0.9
329.21057	100.0
330.21451	6.2
346.20932	0.6
347.22119	2.7
358.30176	0.5
491.26535	4.5
522.51111	0.6
565.06683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69210	0.7
59.87720	0.7
67.05493	1.1
69.07051	2.0
72.88111	1.0
79.05473	1.4
81.07044	4.3
81.87616	0.9
83.08590	1.1
83.63306	0.8
85.06490	1.2
91.05464	1.4
93.07031	1.7
95.08581	3.4
105.07012	1.0
107.08563	2.1
109.10152	1.3
119.08554	1.0
121.10116	1.6
122.03615	3.6
133.10121	1.6
134.22145	1.0
135.11682	1.4
137.05952	100.0
145.10126	3.8
147.11661	1.7
159.11716	1.8
161.13333	2.0
170.15361	1.0
171.11716	1.1
173.13309	1.0
180.88591	1.1
182.15454	1.7
185.13203	1.0
193.65036	1.0
199.68874	1.0
209.97165	0.9
211.14841	1.0
225.16289	1.5
241.19461	1.3
271.20480	4.4
281.22614	8.3
299.23627	15.8
306.20465	9.7
313.24759	1.0
317.24625	6.2
573.26367	1.0
599.31354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	46.0
57.03420	10.4
57.07057	80.8
67.05485	92.8
69.07056	58.1
71.08612	36.2
79.05474	73.6
81.07030	100.0
81.94873	8.0
83.08623	43.5
85.10145	12.9
90.85594	9.0
91.05457	53.2
92.08742	11.9
93.07027	47.6
95.08581	57.3
97.10133	38.3
105.07017	54.5
107.08595	55.5
109.10143	16.8
117.06956	7.7
119.08553	19.4
121.06478	9.0
121.36599	8.3
133.10123	13.5
143.61290	9.2
147.11690	13.2
159.11726	12.2
189.11134	10.8
227.12796	41.9
267.15811	9.2
275.19965	38.9
313.27289	52.6
328.96793	8.8
349.23706	44.0
355.40201	10.9
476.91095	10.5
587.46240	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	640.514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	7.1
55.05487	34.5
57.03417	34.6
57.06804	5.5
57.07063	68.9
60.02173	4.3
60.18679	4.5
61.25126	4.2
63.51425	4.7
67.05490	86.4
69.07037	34.9
71.08612	55.0
71.08939	7.4
76.45277	4.9
79.05470	62.9
81.07029	79.5
83.04945	11.3
83.08595	23.2
85.10155	27.7
91.05454	56.7
93.07015	59.3
95.04949	7.5
95.08565	57.2
97.10139	4.6
98.45084	5.3
103.63504	4.9
105.07012	44.3
107.08566	34.7
109.06502	6.5
109.10161	11.2
116.96971	5.2
117.06976	24.1
117.84611	5.2
119.08519	33.8
120.06770	4.8
121.10061	7.7
125.35985	6.0
131.08533	31.0
133.10115	23.1
143.08537	6.9
145.10106	10.1
154.35347	5.7
159.11638	5.5
185.13138	9.6
269.17331	8.7
275.19968	31.3
309.20313	11.6
313.27304	100.0
349.23602	11.2
402.39536	6.2
507.40320	42.1
547.43060	44.8
587.46228	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	640.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.4
53.03928	1.8
55.05506	22.8
57.03429	14.4
57.07063	16.7
59.05006	1.9
64.33389	1.7
67.05498	28.5
69.03422	46.2
69.07059	43.6
71.08620	19.2
75.04488	2.2
79.05476	15.7
81.03396	2.7
81.07038	81.7
83.08603	32.5
85.02892	38.1
85.10167	4.4
85.34395	2.1
87.04450	25.4
91.05473	2.9
91.81369	1.9
93.07034	45.2
95.04948	3.8
95.08584	86.5
96.53504	2.3
97.02872	32.8
97.06512	2.5
97.10159	19.4
107.08576	28.0
109.02909	2.3
109.10135	48.0
111.08075	1.9
111.11686	13.7
111.44895	1.8
115.03922	17.0
121.10143	29.5
123.11662	23.9
133.04947	15.2
135.11684	27.7
137.13237	11.6
149.13237	43.6
150.07602	2.2
151.14766	4.5
163.14804	11.7
165.09045	2.0
165.16399	4.7
179.18001	2.5
191.17903	2.4
205.19629	3.1
219.21162	3.6
243.98485	2.2
249.25627	3.7
263.27277	2.9
275.27274	37.1
281.28479	3.8
293.28299	26.3
311.29453	15.2
427.92889	2.2
442.80588	2.2
465.02231	2.1
599.31812	100.0
600.32043	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	639.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73375	1.0
58.06583	7.2
63.09195	0.9
64.32972	1.1
72.08141	12.4
76.01639	1.0
81.07030	1.2
83.96822	1.0
86.09686	25.7
91.56896	1.0
92.29553	1.0
100.11232	100.0
101.06003	2.0
106.25996	1.2
106.96185	1.1
115.80154	1.1
134.93188	1.0
140.14331	5.2
154.12239	1.3
164.30121	1.1
172.13324	2.3
200.16463	1.4
228.15959	6.1
237.97784	1.3
285.21710	2.4
299.23187	5.3
327.22870	5.9
337.63461	1.1
458.32098	5.2
505.48773	1.1
525.26654	1.5
611.43793	21.5
639.43103	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40812	0.3
73.21299	0.4
75.12682	0.3
108.70921	0.4
118.61246	0.4
137.44745	0.4
141.45296	0.4
580.42645	0.4
599.31787	100.0
600.32300	1.8
617.32727	1.5
640.34448	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	639.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
54.81845	1.1
55.05507	22.1
55.17419	1.2
56.18948	0.9
57.03423	2.9
57.07067	20.5
59.04996	1.3
61.02919	1.3
65.16869	1.2
67.05490	31.9
69.03424	11.0
69.07057	52.8
71.04977	5.2
71.08611	11.4
72.51017	1.2
79.05038	1.6
79.05476	20.8
81.03405	1.1
81.07042	85.3
83.04953	8.5
83.08604	24.8
85.02895	16.8
85.06517	2.1
85.10179	5.4
87.04451	4.8
91.05477	14.4
93.07023	46.1
95.04954	7.8
95.08588	100.0
97.02863	11.6
97.06510	3.0
97.10156	15.4
105.07014	27.7
107.08586	39.9
109.06514	2.0
109.10143	52.0
111.08069	2.5
111.11739	10.7
113.05988	2.2
115.03912	2.5
119.08554	22.7
120.08062	6.4
121.10130	31.8
123.08084	2.6
123.11707	23.7
125.09583	1.4
125.13271	4.4
127.03885	1.5
133.04976	1.9
133.10101	18.5
135.11676	26.2
137.09616	4.9
137.13245	11.7
139.11182	1.7
145.10120	2.0
147.11661	22.8
149.13249	15.6
151.14799	5.6
159.11705	1.5
161.13222	13.4
163.14798	9.9
165.09058	2.7
165.12715	1.7
165.16389	1.6
167.14172	1.2
175.14838	5.1
177.16354	5.2
179.17902	1.5
189.16345	2.2
191.17921	2.5
203.17886	2.3
217.19461	6.3
247.24200	2.6
254.64055	1.5
261.25763	1.7
273.25739	22.7
279.26617	2.1
291.26764	21.6
293.50446	1.3
297.27725	1.8
309.27835	28.8
327.28979	11.3
345.29956	7.4
639.32947	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	639.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.3
53.03940	2.5
53.04953	0.8
55.01857	1.0
55.05502	21.8
57.03430	9.9
57.07071	16.7
59.04980	1.2
61.02892	2.5
67.05489	32.9
69.03413	27.8
69.07054	44.0
71.04971	1.9
71.08619	10.3
71.23242	1.0
79.05470	23.1
81.03387	5.1
81.07037	92.2
83.04969	5.9
83.08604	24.5
85.02886	43.9
85.06532	1.4
85.10151	3.6
87.04445	11.0
91.05460	23.3
93.07021	50.7
95.04941	6.4
95.08582	100.0
97.02874	23.0
97.06516	6.4
97.10154	16.1
99.04412	2.0
105.07015	37.3
107.08577	47.9
109.02883	4.2
109.06493	5.0
109.10145	50.2
111.08071	4.1
111.11732	8.5
115.03911	10.8
117.06986	1.4
118.43014	1.0
119.08558	27.7
121.10119	37.1
121.10965	1.4
123.08049	4.2
123.11682	23.6
125.13257	1.3
127.03850	8.3
131.08553	7.5
133.04918	8.5
133.10106	20.6
135.08165	1.3
135.11667	33.4
137.09633	4.8
137.13205	12.2
139.01176	1.1
139.11163	2.2
143.08517	2.4
145.04947	3.9
145.10158	4.7
147.08029	5.9
147.11653	23.9
147.12756	1.5
149.13252	21.2
151.11198	2.3
151.14847	5.7
155.08455	1.4
157.10091	5.3
159.07973	1.1
159.11705	4.1
161.09657	4.5
161.11922	1.3
161.13228	26.4
163.06071	1.5
163.14771	11.8
165.08910	1.0
165.12729	6.0
165.16302	1.2
169.10071	1.2
171.11671	2.4
173.09625	6.8
173.13217	1.6
175.11148	4.0
175.14745	9.4
177.16389	5.2
179.14250	4.0
179.17767	1.7
183.11717	1.5
183.13776	1.7
185.13228	1.8
189.12802	1.3
189.16386	5.1
191.17984	4.5
201.12735	2.4
203.17899	4.8
205.19350	1.5
213.12915	1.2
217.19443	9.6
222.83780	1.0
239.17935	1.7
247.24095	1.9
273.25711	32.2
279.21106	1.5
291.26746	35.6
295.10184	1.9
297.22113	18.3
297.27655	1.5
309.27835	18.0
315.23148	23.3
327.28915	8.2
477.28256	22.5
576.76917	1.6
578.25574	1.2
639.33881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41342	0.4
52.45566	0.5
53.00784	0.4
53.03938	4.2
53.14580	0.5
55.01862	4.5
55.05507	4.4
57.03426	9.2
57.07051	1.0
61.02912	11.5
67.05486	9.8
67.78796	0.5
67.99075	0.6
69.03416	36.1
69.07050	5.6
71.04975	4.4
73.02889	5.0
79.05457	5.8
81.03403	14.8
81.07037	25.3
83.01338	0.6
83.04977	6.0
83.08601	2.6
85.02889	100.0
87.04456	4.9
91.03950	4.3
91.05448	8.3
93.07023	13.3
95.04948	1.3
95.08582	20.6
97.02872	38.1
97.06512	10.3
97.10133	2.4
99.04414	7.0
101.02283	0.6
105.07010	19.4
107.04926	0.9
107.08569	13.2
109.02860	12.1
109.06469	4.4
109.10133	10.7
111.08058	1.3
115.03931	1.3
115.05406	1.1
117.06988	4.8
119.08565	16.5
121.06458	2.9
121.10121	8.2
123.08040	3.3
123.11684	7.2
127.03892	22.5
129.06985	4.6
130.07729	0.7
131.08556	13.3
133.06477	3.9
133.10100	9.2
135.08005	0.9
135.11646	16.8
137.09546	1.0
137.13229	2.3
141.06953	1.1
142.07713	0.8
143.08539	8.0
145.04944	20.2
145.06157	0.9
145.06538	0.7
145.10086	11.3
147.08026	12.1
147.11674	3.7
149.09592	3.2
149.13190	4.8
155.08554	6.8
157.10103	9.7
159.08038	3.5
159.11693	5.5
161.05907	1.2
161.09618	8.4
161.13220	25.2
163.06012	2.7
163.11130	3.9
163.14771	5.6
167.08438	0.8
168.09219	0.8
169.10081	4.4
171.11588	5.0
173.09586	25.5
173.13182	6.2
175.11189	7.6
175.14809	2.6
177.05428	1.2
179.08604	0.7
181.10133	2.4
183.11652	8.3
185.13237	3.5
187.11194	3.3
187.14748	1.1
189.12743	1.3
195.11710	3.4
197.13234	4.2
199.11108	0.7
199.14851	1.3
201.12726	13.8
201.16415	1.3
209.13239	3.9
210.14081	0.7
210.85973	0.6
211.14859	1.0
213.12720	2.6
213.16322	1.0
215.14299	2.4
215.17868	0.9
223.14751	1.3
227.14293	3.5
229.15935	0.7
237.16437	0.8
239.17892	7.7
241.15822	2.7
241.19543	0.8
253.19504	2.3
255.20999	2.2
269.18951	0.7
271.20471	2.4
279.20947	6.2
291.26767	1.2
297.22076	65.9
299.23569	4.8
315.23129	67.8
316.23508	0.9
477.28375	37.1
493.39777	0.6
633.20746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85114	0.1
53.00298	0.3
53.03920	1.0
54.33869	0.2
55.01859	2.4
55.05254	0.2
55.05496	3.3
57.03164	0.3
57.03420	4.6
57.07055	0.7
59.04980	0.3
60.17521	0.1
60.50317	0.1
61.02907	5.7
65.03918	0.3
67.05126	0.2
67.05482	6.7
69.03407	15.8
69.07043	3.0
70.06632	0.1
71.01322	0.3
71.04971	2.4
73.02894	2.8
79.05461	7.2
79.96785	0.1
81.03394	6.0
81.07028	13.7
83.01321	0.7
83.04953	7.5
83.08596	1.8
83.51088	0.2
85.02879	55.1
85.06524	1.2
86.03194	0.2
87.04427	2.1
91.03931	2.0
91.05446	6.7
93.07011	16.0
95.04929	1.9
95.08573	23.3
97.02858	17.7
97.06497	30.3
97.10117	1.0
99.04420	2.9
99.08046	0.2
101.02346	0.8
103.03905	0.6
103.05428	0.3
105.07000	15.0
107.04908	1.3
107.08567	12.9
109.02850	5.7
109.06487	35.7
109.10126	8.7
110.06846	0.2
111.04395	0.3
111.08051	1.3
115.03889	1.1
115.05399	0.3
117.05529	0.2
117.06989	4.0
119.08546	16.1
120.08893	0.2
121.06465	6.6
121.07288	0.3
121.10107	20.1
123.08028	29.9
123.11665	2.7
125.09604	0.7
127.03876	12.3
128.06180	0.5
129.05479	0.2
129.06976	3.1
130.07721	0.3
131.08525	13.6
133.04964	0.2
133.06456	1.3
133.10089	13.2
135.08012	2.1
135.11653	7.7
137.05988	0.2
137.09584	2.1
137.13219	0.8
139.11137	0.3
141.06941	1.2
142.07744	1.2
143.08533	7.8
144.09351	1.1
145.04926	11.8
145.10086	13.9
147.06375	0.2
147.06767	0.2
147.08015	3.8
147.11647	10.8
149.09583	5.0
149.10535	0.1
149.13217	4.3
151.11206	0.2
153.06895	0.2
155.08517	3.5
156.09293	1.4
157.10081	8.1
158.07281	0.2
158.10858	0.8
159.07996	1.7
159.11647	13.0
161.09573	4.6
161.10867	0.3
161.13208	7.3
163.05952	3.0
163.11130	3.1
163.14767	2.8
165.07065	0.2
165.09123	0.2
165.12727	0.6
167.08513	1.4
168.09312	0.8
169.10060	5.3
170.10838	0.6
171.08203	0.2
171.11636	12.1
172.12306	0.2
173.09584	7.5
173.13199	24.6
174.13976	0.3
175.11143	6.2
175.14758	6.3
177.05496	0.3
177.12695	4.1
177.16359	0.3
179.08501	0.6
179.14224	0.3
180.09256	0.3
181.10074	3.3
182.10867	0.7
183.11633	6.5
184.12285	0.3
185.09564	0.9
185.13191	8.1
186.14040	0.3
187.11104	2.2
187.14755	5.0
189.12689	2.9
189.16316	3.2
191.14244	0.7
193.10080	0.6
194.10835	0.6
195.11638	3.4
196.12341	0.6
197.13184	5.8
198.14073	0.3
199.11159	1.1
199.14772	4.9
200.15527	0.3
201.07314	0.2
201.12679	4.8
201.16324	5.5
203.14279	3.6
207.11684	0.3
208.12419	0.3
209.13185	4.7
210.13907	0.7
211.11311	0.2
211.14789	3.7
212.15469	0.2
213.12749	2.1
213.16298	3.7
215.14267	2.7
215.17831	2.1
217.15816	1.4
219.17303	0.2
221.13168	0.9
222.13959	0.7
223.14777	5.8
224.15523	0.9
225.12703	0.2
225.16316	2.1
226.17163	0.2
227.14272	3.1
227.17816	1.9
229.15833	1.3
229.19440	0.2
235.14740	2.1
236.15497	0.7
237.16295	3.8
238.16850	0.3
239.17877	6.2
241.15826	2.4
241.19504	0.2
242.16545	0.3
243.17360	0.2
249.12657	0.2
249.16374	1.6
250.17084	1.6
251.17886	4.5
252.18556	0.2
253.19441	8.3
255.17360	0.8
255.20975	4.3
257.18860	0.2
264.18692	1.5
269.18912	2.4
269.22516	1.0
271.20468	9.1
273.25851	0.2
279.20981	19.8
280.21359	0.3
281.22552	1.3
282.19672	0.2
283.20370	0.3
289.09012	0.2
293.18616	0.2
295.20453	3.8
297.22040	65.3
298.22272	1.2
299.23578	7.0
309.22116	0.2
313.21548	0.2
315.23090	100.0
316.23471	1.9
325.11111	0.2
327.19315	0.2
327.22952	0.2
339.22690	0.2
369.24295	0.2
381.23779	0.3
399.25146	0.8
405.24368	0.3
409.49139	0.1
423.24942	0.7
441.26221	1.2
459.27240	2.9
477.28308	9.4
543.10657	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35369	0.7
53.03939	9.1
55.01859	6.3
55.05261	1.3
55.05504	23.5
56.96230	0.9
57.03423	15.2
57.07062	1.5
59.04985	1.4
67.05492	29.1
69.03403	21.5
69.07058	12.2
71.04971	7.9
79.05472	34.9
80.63362	0.8
81.03396	100.0
81.07032	39.5
83.04961	21.8
83.08597	27.5
85.02887	28.4
85.06532	2.1
87.04437	1.4
87.97378	0.8
88.38702	0.8
88.42956	0.7
89.02402	0.7
91.05457	38.2
93.07024	22.2
95.04945	33.8
95.08583	18.8
97.02853	15.8
97.06506	5.7
97.10158	13.2
99.04445	4.4
99.08109	1.2
103.03941	0.9
104.68343	0.9
105.07005	29.3
107.04942	11.4
107.08569	17.1
109.02860	21.2
109.06488	6.9
109.10140	10.2
111.04430	13.8
111.08035	9.4
113.05949	3.4
115.03922	0.8
115.05428	1.9
115.90330	0.8
117.06990	4.8
119.04953	1.4
119.08553	26.0
121.06480	5.5
121.10138	13.1
123.08047	2.0
123.11679	3.7
125.09622	7.6
127.03866	4.8
128.06137	1.0
129.06982	13.4
131.04904	1.9
131.08537	15.6
133.06480	5.4
133.10115	11.8
135.04420	1.0
135.08018	1.8
135.11630	3.8
137.09604	1.5
141.06911	1.1
142.07698	1.7
143.08566	3.7
145.06490	4.2
145.10046	6.4
147.04413	1.8
147.08037	4.0
147.11647	17.9
149.09567	9.8
149.13258	1.7
153.12708	3.6
155.08548	1.2
157.10117	15.6
159.07996	0.9
159.11737	1.2
161.09587	1.2
163.07454	1.0
163.11169	5.2
165.09142	1.2
165.12666	3.6
173.05992	1.0
173.09590	1.9
175.11128	14.9
178.38037	1.0
181.12175	3.6
189.11176	1.6
191.10730	1.0
193.12201	31.4
211.13237	29.7
227.12671	2.1
231.13667	1.3
259.13242	1.5
267.15909	15.9
273.14819	2.0
277.14389	1.6
283.15475	1.7
285.16907	11.5
291.15881	1.0
301.14313	4.3
309.16904	1.2
313.16568	1.0
319.15332	1.6
345.29282	0.9
349.21652	0.9
355.17453	1.6
367.22739	1.2
385.23752	1.5
403.24686	1.7
411.19946	2.0
429.21140	3.8
441.26169	1.4
459.27390	12.7
477.28424	15.3
495.29321	16.5
561.30310	1.9
567.28888	1.1
585.30328	3.5
603.31268	4.4
621.32697	14.2
639.33630	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12518	1.8
54.81169	1.9
56.76756	1.8
63.09858	2.0
69.07079	2.0
70.85564	1.8
76.55680	1.9
84.01462	2.7
92.08846	12.8
93.53708	2.4
125.06969	2.1
151.39908	2.2
162.91919	2.5
182.29858	2.2
292.74316	2.3
406.21274	8.3
415.19128	4.0
421.23849	11.2
428.20135	2.5
429.20825	19.5
443.22495	4.6
444.22870	3.9
457.24170	4.2
458.24536	4.5
459.21701	11.9
461.19199	8.7
472.22696	5.3
476.21619	5.2
485.23672	16.0
488.21741	3.5
489.21902	3.2
503.24216	15.3
517.25830	3.7
535.27106	28.7
545.25439	76.3
563.26459	10.4
573.24921	19.9
605.18030	3.6
605.27527	59.9
637.30109	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	637.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.2
57.03419	1.8
57.07062	1.2
59.04973	1.4
59.89574	0.6
61.02910	1.1
64.33520	0.7
67.05495	10.0
69.03068	1.1
69.03416	14.5
69.07060	13.6
71.04969	3.0
73.86451	0.6
74.68694	0.7
75.85652	0.7
79.05470	3.5
81.03387	1.0
81.07039	14.3
83.04967	8.6
83.08121	0.7
83.08601	6.2
85.02896	8.4
85.06531	1.4
87.04462	4.0
89.82321	0.8
90.29697	0.7
91.05457	1.6
93.07021	10.0
95.04957	1.2
95.08591	25.8
97.02879	9.2
99.04437	1.5
99.08077	3.2
105.07013	5.6
107.08585	22.5
109.06519	7.4
109.10146	100.0
111.08083	3.7
115.03899	3.8
119.08568	32.5
121.10132	10.7
123.08044	11.9
123.11693	9.3
125.09576	1.1
133.04956	1.0
133.10117	21.3
135.11678	92.3
137.09587	15.5
139.11172	3.4
145.10223	0.8
147.11681	0.9
149.13251	6.6
151.11194	8.8
151.14822	12.3
153.12747	1.5
162.75026	0.8
165.16393	2.8
165.41504	0.7
175.14792	38.4
182.72455	0.8
193.14052	1.2
193.15855	50.4
211.16913	87.9
237.44714	0.8
257.33768	0.9
303.05054	0.9
306.25293	0.8
373.22098	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	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27972	1.3
60.94253	1.5
62.89612	1.5
63.76851	1.3
71.77119	1.4
92.08957	2.1
109.04799	1.3
120.83027	1.5
122.47655	1.5
170.37822	1.9
175.54024	1.5
184.25348	1.5
244.59256	1.8
385.14322	2.3
393.20892	2.2
399.16132	2.3
400.16479	3.0
401.17416	1.9
403.19476	1.9
407.22141	5.8
413.17465	2.8
415.19626	11.3
421.19730	2.6
427.19339	1.7
428.19656	2.1
429.21121	11.7
435.21774	2.4
443.22714	3.3
444.18802	3.1
445.20538	3.5
457.20190	8.4
458.20895	2.7
471.21573	9.8
472.22681	5.3
473.19431	3.2
486.20508	8.6
490.19983	2.4
499.21021	13.5
500.21979	2.2
503.24002	6.6
517.22015	3.7
527.20135	1.8
531.23907	14.6
559.23236	88.1
587.22760	16.4
619.25372	100.0
620.25195	3.2
637.26630	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	636.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.5
53.38622	0.5
55.01871	0.7
55.05498	1.0
57.03429	3.5
57.07061	2.6
59.04989	30.8
59.06109	14.9
60.04522	3.7
60.05635	5.0
60.08152	15.2
65.03940	0.5
67.05136	1.0
67.05489	25.0
69.03413	100.0
69.07060	2.1
70.03764	0.6
71.04974	8.9
73.06539	3.4
79.05485	2.4
80.57657	0.5
81.07037	3.4
81.23854	0.5
83.04964	3.1
83.08606	0.8
85.02914	0.8
85.06536	8.0
87.04448	12.3
91.05465	2.8
92.09365	2.7
93.07021	4.6
95.04942	44.7
95.08585	2.7
97.06504	0.6
101.05988	2.9
105.07001	5.4
107.08594	3.2
109.06521	2.3
109.10147	2.0
111.20267	0.5
113.05984	68.2
114.06324	0.9
117.06996	2.4
119.08567	4.1
121.10139	1.1
125.05956	0.6
127.07526	9.2
129.07007	2.6
131.08533	4.0
133.10144	2.7
135.11690	1.2
143.08522	2.9
145.08575	32.9
145.10085	3.6
147.08156	0.7
147.10652	0.6
147.11610	3.6
149.13254	1.2
155.08542	2.6
157.10136	3.1
159.11636	5.0
161.13214	3.6
163.07538	0.5
163.11113	0.5
169.10095	1.2
171.11684	0.6
173.13260	0.6
175.07544	3.2
175.14793	0.5
181.10130	1.1
183.11693	3.0
184.12602	0.5
185.09547	0.7
185.13286	1.9
189.09123	0.5
195.11659	1.2
197.13232	0.7
199.14801	2.1
203.10760	0.6
209.09460	0.6
209.13226	2.6
211.11076	0.8
211.14696	1.1
213.09001	0.5
215.17882	1.1
217.12325	0.6
227.10651	4.5
229.12331	3.5
241.12167	0.9
243.13727	0.7
253.19542	1.0
255.13652	1.9
291.21027	2.1
309.22034	0.8
319.20422	2.2
337.21524	24.2
338.22037	0.7
353.21231	0.8
355.22577	26.0
356.22751	1.1
371.50150	0.6
373.23645	43.5
374.24280	2.0
415.25571	0.6
433.25821	4.7
499.30267	1.2
517.31390	7.0
553.67291	0.6
625.75098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29578	0.7
50.45303	0.6
55.05499	2.8
57.03418	3.3
57.07057	4.9
59.04986	7.7
59.06110	18.8
60.04510	6.2
60.05629	10.0
60.08150	8.9
63.44889	0.5
63.85880	0.6
65.03928	0.7
67.05134	1.4
67.05489	29.6
69.03413	14.1
69.07064	1.6
69.31108	0.6
69.45839	0.6
71.04974	21.3
79.05466	3.0
81.07029	6.0
83.08603	1.8
85.06524	24.7
87.04437	7.0
91.05443	4.0
93.07004	5.6
95.04947	34.3
95.08566	4.1
98.42439	0.8
100.11231	4.4
101.05993	1.0
105.07002	8.4
107.08577	7.5
109.10126	3.4
113.05984	100.0
114.06264	1.2
117.06991	1.8
119.08564	6.2
121.06483	1.2
121.10139	4.6
129.06970	1.5
131.08546	6.3
133.10126	5.6
135.11703	1.6
142.07779	1.0
143.08519	3.4
145.08583	19.2
145.10091	5.6
146.52687	0.7
147.08047	1.1
147.11658	5.6
149.13307	1.7
155.08479	1.4
157.10107	4.0
159.11658	5.9
161.13228	4.8
163.07568	1.0
169.10110	1.8
171.11668	1.4
173.13200	1.1
175.07480	4.9
181.10059	1.4
182.15404	1.0
183.11650	3.3
185.13242	1.1
187.14803	1.5
193.10028	1.1
195.11630	1.6
196.12465	0.9
197.09608	0.9
197.13196	1.1
199.14806	1.1
209.13187	1.2
209.16374	1.1
211.11261	0.8
213.16359	0.8
215.17917	1.8
225.16177	0.9
227.10608	4.1
229.12172	4.1
235.14772	0.8
241.12140	1.1
251.88881	0.8
253.19667	0.8
255.13661	1.6
266.24683	1.7
281.15607	0.8
291.20929	3.1
301.19562	0.9
309.21927	1.4
319.20456	3.7
337.17685	1.4
337.21524	26.2
338.21704	0.8
355.22595	28.8
373.23639	48.3
433.25671	8.5
434.25604	0.8
517.31128	0.8
545.28729	0.8
619.47418	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	636.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29578	0.7
50.45303	0.6
55.05499	2.8
57.03418	3.3
57.07057	4.9
59.04986	7.7
59.06110	18.8
60.04510	6.2
60.05629	10.0
60.08150	8.9
63.44889	0.5
63.85880	0.6
65.03928	0.7
67.05134	1.4
67.05489	29.6
69.03413	14.1
69.07064	1.6
69.31108	0.6
69.45839	0.6
71.04974	21.3
79.05466	3.0
81.07029	6.0
83.08603	1.8
85.06524	24.7
87.04437	7.0
91.05443	4.0
93.07004	5.6
95.04947	34.3
95.08566	4.1
98.42439	0.8
100.11231	4.4
101.05993	1.0
105.07002	8.4
107.08577	7.5
109.10126	3.4
113.05984	100.0
114.06264	1.2
117.06991	1.8
119.08564	6.2
121.06483	1.2
121.10139	4.6
129.06970	1.5
131.08546	6.3
133.10126	5.6
135.11703	1.6
142.07779	1.0
143.08519	3.4
145.08583	19.2
145.10091	5.6
146.52687	0.7
147.08047	1.1
147.11658	5.6
149.13307	1.7
155.08479	1.4
157.10107	4.0
159.11658	5.9
161.13228	4.8
163.07568	1.0
169.10110	1.8
171.11668	1.4
173.13200	1.1
175.07480	4.9
181.10059	1.4
182.15404	1.0
183.11650	3.3
185.13242	1.1
187.14803	1.5
193.10028	1.1
195.11630	1.6
196.12465	0.9
197.09608	0.9
197.13196	1.1
199.14806	1.1
209.13187	1.2
209.16374	1.1
211.11261	0.8
213.16359	0.8
215.17917	1.8
225.16177	0.9
227.10608	4.1
229.12172	4.1
235.14772	0.8
241.12140	1.1
251.88881	0.8
253.19667	0.8
255.13661	1.6
266.24683	1.7
281.15607	0.8
291.20929	3.1
301.19562	0.9
309.21927	1.4
319.20456	3.7
337.17685	1.4
337.21524	26.2
338.21704	0.8
355.22595	28.8
373.23639	48.3
433.25671	8.5
434.25604	0.8
517.31128	0.8
545.28729	0.8
619.47418	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	635.3943
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
50.74951	2.0
54.26003	1.9
55.05502	14.9
55.12945	2.0
55.78747	1.8
57.07071	2.8
58.95278	2.0
60.63747	1.7
62.66262	1.6
65.03918	2.6
67.05492	26.5
67.13947	2.0
69.07065	15.8
70.06591	2.8
79.05476	23.0
81.07044	44.3
83.08610	5.4
91.05461	38.2
93.07027	60.4
95.04951	2.9
95.08589	74.5
97.10201	2.7
105.07017	46.9
107.08584	76.8
109.06441	2.3
109.10131	35.7
117.07008	18.4
119.04926	38.2
119.08564	53.7
121.10131	50.8
121.52621	2.5
123.08075	2.5
123.11711	14.8
129.06975	9.7
131.08536	31.9
133.10101	53.2
135.11682	49.5
137.13266	3.4
143.08537	22.3
145.10109	39.4
147.04391	100.0
147.11652	32.9
149.13229	19.7
155.08575	5.2
157.10095	26.9
159.11674	33.4
161.13260	26.4
163.14760	25.4
167.08435	2.7
169.10170	5.1
171.11693	32.5
173.13223	19.1
175.14781	21.4
177.16351	13.4
179.14268	3.6
183.11725	9.7
185.13220	34.0
187.14763	28.3
189.16342	27.9
191.17990	11.0
195.11792	3.2
197.13237	17.8
199.14812	31.0
201.16376	14.0
203.14365	3.1
203.17917	18.0
207.17357	3.9
209.13194	3.1
211.14857	11.6
213.16321	18.6
215.18021	10.1
217.15807	10.3
217.19513	2.7
223.14789	3.7
225.16389	3.7
227.17816	21.8
229.19576	5.2
237.16440	2.6
239.17924	5.5
241.19530	10.8
243.13507	3.0
245.15344	2.7
245.18976	8.7
253.19495	11.3
255.21004	2.9
257.18866	3.6
271.20541	4.8
285.22070	2.4
299.20062	3.6
317.21072	3.0
389.31979	4.8
407.33038	22.0
417.31909	2.5
425.34000	51.2
435.32587	22.3
443.35281	2.7
453.33557	50.5
471.34598	13.4
631.82373	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	635.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.4
53.03936	2.1
54.82095	2.2
55.01862	3.3
55.05499	25.1
57.03419	10.6
67.05484	36.1
69.03407	34.2
69.06739	2.9
69.07056	34.3
71.04978	26.4
79.05471	40.6
80.79227	2.3
81.03420	3.2
81.06593	4.6
81.07038	95.0
83.04961	11.9
83.08599	9.8
85.02895	29.8
85.06522	10.1
87.04456	14.7
90.09326	2.5
91.05459	35.2
93.07018	64.3
95.04941	12.5
95.08580	83.9
97.02839	24.3
97.06507	10.7
99.08060	5.2
105.07005	80.6
107.04910	2.8
107.08572	100.0
109.06484	4.2
109.10136	77.3
109.70796	2.4
114.82573	2.4
115.03915	10.3
116.98555	2.6
117.07003	16.5
119.08557	56.9
121.06474	3.8
121.10125	42.9
123.11697	14.9
125.05955	4.7
125.09588	10.5
127.11172	20.8
129.07007	3.4
131.08510	28.1
133.04921	6.2
133.10100	57.9
135.08026	3.1
135.11665	18.2
137.05956	3.6
137.09621	4.3
137.13338	3.3
139.11108	3.0
143.08554	16.5
143.10620	17.4
145.04910	3.5
145.10121	47.8
147.11638	46.5
149.09618	3.6
149.13222	13.9
151.11179	2.7
157.10139	15.4
159.11655	31.0
161.13191	19.9
163.03816	2.7
163.07536	4.4
163.14774	5.1
168.33844	2.7
169.09930	2.8
171.11664	15.4
173.13193	19.2
175.14804	15.5
177.12766	3.2
177.16422	2.7
178.96469	2.9
185.13210	18.4
187.14796	2.6
189.09102	2.6
189.16368	6.1
193.15848	4.0
199.14737	13.8
201.16379	53.2
213.16405	8.9
227.17856	3.1
269.22617	27.7
287.23746	25.8
305.24695	28.8
323.25671	4.3
402.84790	2.8
484.67184	2.7
635.35583	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	635.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.4
53.03936	2.1
54.82095	2.2
55.01862	3.3
55.05499	25.1
57.03419	10.6
67.05484	36.1
69.03407	34.2
69.06739	2.9
69.07056	34.3
71.04978	26.4
79.05471	40.6
80.79227	2.3
81.03420	3.2
81.06593	4.6
81.07038	95.0
83.04961	11.9
83.08599	9.8
85.02895	29.8
85.06522	10.1
87.04456	14.7
90.09326	2.5
91.05459	35.2
93.07018	64.3
95.04941	12.5
95.08580	83.9
97.02839	24.3
97.06507	10.7
99.08060	5.2
105.07005	80.6
107.04910	2.8
107.08572	100.0
109.06484	4.2
109.10136	77.3
109.70796	2.4
114.82573	2.4
115.03915	10.3
116.98555	2.6
117.07003	16.5
119.08557	56.9
121.06474	3.8
121.10125	42.9
123.11697	14.9
125.05955	4.7
125.09588	10.5
127.11172	20.8
129.07007	3.4
131.08510	28.1
133.04921	6.2
133.10100	57.9
135.08026	3.1
135.11665	18.2
137.05956	3.6
137.09621	4.3
137.13338	3.3
139.11108	3.0
143.08554	16.5
143.10620	17.4
145.04910	3.5
145.10121	47.8
147.11638	46.5
149.09618	3.6
149.13222	13.9
151.11179	2.7
157.10139	15.4
159.11655	31.0
161.13191	19.9
163.03816	2.7
163.07536	4.4
163.14774	5.1
168.33844	2.7
169.09930	2.8
171.11664	15.4
173.13193	19.2
175.14804	15.5
177.12766	3.2
177.16422	2.7
178.96469	2.9
185.13210	18.4
187.14796	2.6
189.09102	2.6
189.16368	6.1
193.15848	4.0
199.14737	13.8
201.16379	53.2
213.16405	8.9
227.17856	3.1
269.22617	27.7
287.23746	25.8
305.24695	28.8
323.25671	4.3
402.84790	2.8
484.67184	2.7
635.35583	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	635.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80515	0.4
65.12769	0.5
66.96188	0.5
69.65696	0.5
74.82010	0.4
85.28186	0.6
97.02888	0.8
98.68203	0.5
105.75124	0.5
157.83981	0.5
167.06886	0.9
168.06526	0.7
182.54364	0.5
203.05275	4.0
248.07312	0.5
304.08826	0.5
329.12009	100.0
330.12070	1.0
433.18234	0.6
440.39429	0.5
519.75220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
54.20324	0.3
55.01872	0.5
55.05493	0.6
57.03414	2.6
61.02905	2.0
67.05492	1.0
69.03065	0.6
69.03415	12.4
69.07034	2.0
71.04961	0.6
73.02883	0.7
74.22340	0.4
77.58269	0.3
79.05454	2.5
81.03374	1.7
81.07035	6.1
83.04939	0.8
83.08567	0.4
85.02885	21.9
86.03217	1.9
87.04435	3.2
91.03917	0.8
91.05437	3.0
92.08556	0.9
93.07021	2.3
95.04955	0.9
95.08572	0.7
97.02859	10.3
97.06490	0.5
99.04411	1.6
105.06993	3.4
107.04932	2.0
107.08564	16.2
109.02850	2.7
109.06507	6.5
109.10130	5.4
115.03896	2.4
115.05421	0.7
117.06978	0.9
119.08523	2.1
121.06493	0.8
121.10117	11.8
122.07262	2.0
123.07994	0.8
127.03905	4.0
131.08549	1.6
133.05013	0.9
133.10100	100.0
134.10471	0.5
135.08018	15.6
135.11610	0.9
137.09586	63.9
138.09941	0.4
145.04942	6.6
145.10106	0.4
146.05219	0.5
147.04388	0.6
147.11667	1.9
149.09633	0.6
149.13217	14.7
149.14326	0.7
151.11150	0.5
158.10889	0.9
163.05933	2.8
163.14742	2.5
167.07010	0.5
173.13225	6.5
177.05524	0.7
191.14267	34.3
209.15324	28.8
209.17354	0.7
210.15671	0.4
229.07045	0.7
265.09149	0.8
325.11237	0.6
371.20557	1.6
427.17349	0.5
437.62112	0.4
635.23029	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	634.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
53.47617	0.7
55.01831	1.2
55.05517	6.4
55.05729	0.8
57.03419	7.7
61.02898	7.4
63.70950	0.7
67.05483	7.0
69.03069	1.2
69.03411	30.1
69.07040	4.5
69.32124	0.8
69.46906	0.8
71.04957	1.8
75.04442	2.1
78.04681	0.9
79.05465	9.8
81.03371	6.1
81.07030	13.7
83.04959	2.2
83.08598	14.7
85.02885	29.0
87.04443	13.8
91.05453	9.7
93.03365	2.0
93.07008	11.5
95.04925	4.9
95.08625	7.7
97.02864	22.1
97.06516	3.5
97.10147	1.5
99.04426	3.8
101.05986	1.2
103.05416	1.9
105.07004	11.8
106.04136	7.2
107.04922	4.1
107.08585	8.1
109.02828	6.2
109.06496	3.9
109.10133	1.8
111.08048	4.1
115.03902	20.3
117.06963	5.3
119.08578	8.5
121.06492	10.1
121.10102	4.4
123.04399	8.3
123.08076	2.1
124.05161	1.7
125.05934	5.2
125.09612	1.4
127.03863	8.2
129.06888	3.0
131.08563	10.3
133.04919	13.0
133.10103	6.2
135.07973	1.3
135.11655	3.4
137.05922	4.3
139.07494	3.6
141.06960	1.5
141.09004	1.0
142.07668	1.2
143.08539	5.4
143.10657	8.0
144.09372	1.3
145.02817	0.9
145.04893	2.1
145.10100	13.1
147.04346	4.6
147.11646	5.2
149.05934	14.8
151.07468	1.4
153.09064	5.1
155.07164	1.2
155.08519	5.2
157.10100	5.6
159.10313	1.8
159.11638	27.9
159.12932	1.4
161.05887	1.4
161.09557	3.0
161.11794	1.3
161.13185	4.5
163.03833	4.6
163.07397	1.1
165.07053	1.1
167.06995	100.0
169.10110	4.3
171.11652	3.7
173.09570	1.1
173.13206	3.9
175.09599	4.6
175.14774	1.6
177.05409	8.1
179.10594	1.0
181.04916	1.3
181.08543	5.7
181.10001	2.0
183.06505	2.0
183.11632	1.7
185.13200	4.3
191.06967	1.2
195.11678	10.9
197.13193	4.4
199.14784	1.7
209.08047	26.1
209.13179	6.5
211.14751	1.0
213.12711	1.6
215.46538	0.9
221.13269	1.1
223.14708	2.1
225.16298	4.0
227.09074	12.9
227.14268	1.0
227.17885	2.1
236.15604	1.9
241.19385	2.1
251.17871	17.3
254.77696	1.1
259.03687	0.9
269.18900	36.5
287.19980	42.7
295.10089	1.2
301.12668	1.1
305.21021	13.5
340.21323	1.6
419.23810	1.3
427.15826	1.3
467.26111	1.2
502.26199	1.5
599.30145	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	634.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.6
53.03931	0.8
54.81967	1.0
55.01856	1.9
55.05500	9.0
57.03426	17.8
57.06809	1.0
57.07065	14.9
59.04977	3.8
61.02909	5.1
67.05496	3.7
69.03411	60.3
69.07050	100.0
71.04961	3.1
72.26251	0.7
73.02895	4.3
75.04453	3.3
79.05466	1.1
80.11685	0.7
81.03388	6.5
81.07029	1.6
83.04970	1.0
83.08599	38.1
85.02885	91.7
87.04444	33.9
91.05447	1.5
93.07005	1.5
94.06554	0.7
95.04937	2.0
97.02863	54.2
97.10120	1.2
99.04417	3.5
101.06005	1.2
105.07008	3.1
109.02860	5.4
111.04446	1.0
115.03896	39.6
118.70211	0.8
119.04915	1.3
119.08553	3.0
121.10130	0.9
125.13248	5.3
127.03883	14.5
131.04832	0.9
132.83121	0.7
133.04942	33.1
133.10112	0.9
137.05937	5.4
143.14282	13.8
145.04922	17.7
146.67337	0.9
147.11682	1.5
149.05974	2.9
161.15326	82.7
163.03802	3.2
163.05997	4.6
167.07025	7.5
169.04901	0.9
177.05434	3.8
193.04959	4.8
209.08205	0.8
227.09138	1.0
237.64003	1.2
241.06984	0.8
259.08133	3.9
293.19595	1.1
295.10193	3.6
308.83191	0.9
323.20752	6.3
325.11267	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	633.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81656	1.5
55.60638	1.3
55.94933	1.4
64.21790	1.4
71.24956	1.5
92.08469	1.7
103.53064	1.6
127.99053	1.6
167.00485	1.5
395.37555	1.9
633.47009	100.0
634.47296	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26968	0.3
55.18222	0.4
86.08673	0.4
174.86887	0.5
633.46906	100.0
634.47290	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	634.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97466	0.3
52.32347	0.3
53.03936	0.8
54.26580	0.3
54.82050	0.3
55.01865	0.5
55.05501	4.9
57.03422	0.7
57.46040	0.3
59.04975	2.4
61.02911	0.5
66.54133	0.3
67.05479	0.7
69.03119	0.4
69.03413	5.9
69.07044	3.2
70.06574	0.6
71.04968	0.6
73.02872	0.8
79.05459	0.9
81.03382	4.6
81.07082	0.3
83.04965	13.0
83.08591	0.7
85.02888	8.7
86.09685	0.4
87.04435	0.6
89.03870	2.5
91.05434	1.8
92.08861	1.7
93.07026	0.5
95.04945	1.3
95.08572	0.5
97.02867	8.8
99.04425	1.9
101.05987	1.8
103.05450	0.5
105.07013	0.8
107.04919	2.1
107.05564	0.4
107.08587	0.6
109.02853	3.9
111.04426	0.7
115.03914	1.4
117.03354	4.6
118.65124	0.4
119.04874	0.7
119.08536	2.1
121.06481	0.7
121.10078	0.5
126.75781	0.4
127.03911	3.9
129.05296	0.4
131.04848	0.5
133.04916	0.5
135.04388	12.2
135.07980	0.4
135.88690	0.3
137.05934	1.9
143.14262	0.8
145.02827	13.4
145.04913	1.8
145.10162	0.4
147.04361	0.7
147.11514	0.6
149.05884	0.7
151.07474	0.4
159.11597	0.4
161.15338	1.5
163.03871	100.0
163.11119	0.5
167.06999	5.3
177.05418	4.0
187.05998	0.5
193.07034	1.6
195.42603	0.4
207.06494	0.6
209.08018	0.8
227.09143	2.4
245.10010	3.1
355.10205	4.4
407.12976	0.6
500.79794	0.5
636.65204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3785
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
55.05506	9.3
57.07051	2.3
62.81144	0.9
65.28531	0.9
67.05490	8.1
67.21292	0.9
69.03427	1.7
69.07046	12.5
77.74902	0.9
79.05463	8.0
81.07027	18.6
81.27168	0.9
83.08601	4.4
91.05457	15.2
93.07014	23.6
95.04963	2.3
95.08577	25.5
97.10112	1.4
97.46996	1.0
98.12733	1.0
103.05390	1.0
105.07013	19.6
107.08566	34.0
109.06493	4.1
109.10131	17.2
111.08067	1.0
117.07024	4.6
119.04911	8.2
119.08555	29.7
121.06484	2.0
121.10115	25.6
123.08048	1.0
123.11677	9.1
123.90922	0.9
128.06216	1.5
129.06987	3.8
130.07712	1.0
131.08528	14.4
132.05624	1.0
133.06456	2.3
133.10101	20.7
135.08002	5.9
135.11665	20.2
137.09590	1.4
137.13237	1.8
142.07880	1.2
143.08527	6.1
145.06413	1.8
145.10118	14.8
147.04401	21.4
147.08038	6.1
147.11691	13.6
149.09595	2.1
149.13249	12.6
155.08533	2.3
157.10100	9.8
159.08014	5.7
159.11644	12.2
161.09560	4.7
161.13223	18.8
163.11118	1.2
163.14778	7.2
167.86717	1.1
169.10081	6.2
171.08043	2.5
171.11618	9.4
173.09630	12.1
173.13197	11.7
175.11136	2.5
175.14755	12.4
177.16356	2.1
179.14287	1.5
182.10851	1.2
183.11644	6.9
185.09581	2.3
185.13228	6.6
187.11124	2.2
187.14777	12.4
189.12717	1.5
189.16357	7.4
191.17998	1.4
195.11754	1.6
197.13213	6.4
199.11157	7.6
199.14790	4.7
201.12646	10.1
201.16324	2.3
203.17937	2.2
209.13243	2.6
211.14854	5.5
213.12691	2.2
213.16350	5.7
215.14293	6.5
215.17896	4.7
217.15878	1.7
223.14763	1.9
225.16417	4.8
226.10843	1.3
227.14224	1.6
227.17871	6.6
229.15829	5.4
231.17390	2.3
233.15376	1.5
235.16924	2.1
237.16426	1.6
239.17894	4.4
241.15906	3.8
241.19376	4.1
243.17351	5.2
249.18520	1.3
251.17860	2.5
253.19475	2.1
255.17313	8.8
255.21075	1.2
257.18887	4.8
261.14679	1.6
265.19507	1.4
267.20901	1.2
269.18961	20.5
273.18430	6.9
281.18918	1.5
283.20593	2.4
301.17935	6.1
309.22107	1.7
315.19412	2.4
327.23273	2.0
331.23914	1.4
356.92245	1.1
377.27966	1.9
387.30344	1.7
405.31503	17.6
415.29846	1.2
423.32492	41.1
425.02518	1.1
433.30688	6.0
437.50769	1.1
451.31998	17.7
459.14224	1.1
469.33005	100.0
633.38037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03087	0.3
67.05482	0.6
69.03416	2.0
79.05492	0.6
81.07027	1.7
85.02882	0.8
85.06525	0.7
87.04444	0.5
91.05476	0.4
91.15432	0.3
93.07037	1.8
95.04935	0.6
95.08588	1.7
97.02854	1.4
97.97440	0.4
105.07027	1.7
107.08591	1.5
109.10140	1.4
115.03918	0.4
119.08574	1.6
121.10145	0.4
127.03876	0.3
131.08569	0.5
133.04997	0.5
133.10114	1.6
135.11703	0.5
138.99319	0.3
145.10066	0.5
149.13345	0.4
157.10135	0.4
159.11700	0.4
161.13223	0.7
165.29022	0.3
171.11609	0.5
187.39653	0.4
238.06314	0.3
275.07202	0.5
335.09393	4.0
448.29449	0.4
471.01190	0.3
633.32355	100.0
634.32532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3782
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
53.89288	0.8
54.81676	0.9
55.05503	6.2
57.03415	1.1
57.07059	1.4
57.44809	0.9
57.74982	0.8
64.87949	1.1
65.93537	0.9
67.05487	9.7
69.07051	8.2
79.05489	8.0
81.07031	13.2
83.08601	1.6
91.05445	11.2
91.06763	0.9
93.07023	20.8
95.05003	1.4
95.08584	25.7
100.15327	1.2
105.07011	15.8
105.74694	1.0
107.08573	24.2
109.06519	1.8
109.10145	9.3
111.08100	1.4
117.06992	2.0
119.04925	4.2
119.08559	20.7
121.06481	1.2
121.10117	13.3
123.08039	2.3
123.11684	5.4
131.08514	8.5
133.10106	13.3
135.08018	4.6
135.11664	14.4
137.09676	1.0
142.07716	1.2
143.08556	4.8
145.06497	1.3
145.10101	11.3
147.04385	5.7
147.08067	1.8
147.11627	9.4
149.09605	1.2
149.13243	9.4
155.08516	1.4
156.09265	1.3
157.10085	8.6
158.10909	1.3
159.08000	1.2
159.11607	7.9
161.09593	4.2
161.13239	8.8
161.14474	1.3
163.14816	2.4
167.08505	1.4
169.10100	6.0
171.11606	7.8
173.09589	4.8
173.13194	7.4
175.11269	1.3
175.14766	6.7
177.09177	1.3
181.10240	1.4
183.11618	2.2
185.13228	4.3
187.11147	4.2
187.14780	8.0
187.33617	1.2
189.16360	2.2
191.17999	1.2
193.10127	1.0
197.13239	2.3
199.11174	4.4
199.14838	4.5
201.12753	4.5
209.13329	1.6
211.14789	1.7
213.12755	3.9
213.16385	1.7
215.14270	2.1
215.17834	1.8
223.14844	1.6
225.16370	4.3
227.17946	1.2
229.15916	2.2
237.16438	1.5
238.38280	1.1
243.17667	1.3
251.14343	1.3
251.17841	1.6
255.17433	4.4
260.96072	1.1
265.19412	1.6
269.19000	5.3
273.18570	1.3
274.83932	1.2
281.19037	1.6
283.20624	1.3
405.31531	8.6
423.32489	23.6
433.31061	3.9
433.77609	1.1
451.31888	10.1
469.33020	100.0
470.33441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73015	0.9
56.96552	33.5
57.10193	0.9
63.79950	0.9
69.30826	0.9
79.05458	1.2
84.73164	1.3
85.52908	1.2
92.09353	1.8
93.07017	1.1
95.04972	1.2
98.97557	14.0
103.91153	1.0
107.08575	2.4
111.04168	0.9
113.06003	1.4
116.98596	22.8
134.99622	12.8
145.10150	2.2
148.00418	1.4
153.00708	2.3
157.01741	6.6
159.03285	1.2
159.11580	1.3
167.03761	1.3
169.01836	1.1
171.03271	2.2
175.02747	2.3
177.05830	1.9
181.25897	1.0
183.03296	2.3
185.01225	1.3
185.04793	10.0
187.02678	1.3
189.04431	2.3
193.05347	1.0
195.06895	13.9
197.04843	1.5
199.02802	2.3
201.04224	3.3
203.05992	5.4
207.06978	1.2
207.23158	1.0
209.04918	1.3
209.08481	1.8
211.06461	1.8
213.08035	4.0
219.06950	1.8
221.04901	2.3
223.06401	1.2
225.07990	5.3
227.05916	1.4
235.06380	2.1
237.04269	10.7
237.08017	4.6
239.05836	10.5
239.09610	1.7
241.07484	5.4
243.08960	2.0
249.07950	20.4
251.05890	6.6
251.09494	10.9
253.07463	6.1
255.05373	12.6
255.08966	14.3
257.06891	1.8
257.10629	1.6
263.09579	5.1
265.07367	1.5
265.11118	1.2
267.08975	54.5
269.07315	2.1
269.10541	28.7
271.08401	1.4
271.12201	2.0
273.10080	4.9
277.11108	1.3
281.10468	9.4
283.12192	2.1
285.10138	4.9
287.11560	8.0
301.14746	1.1
321.13818	1.7
341.12558	1.3
341.17786	1.6
356.02145	1.1
357.17325	7.4
359.19067	2.1
365.17715	9.2
367.19492	4.6
373.23932	1.1
377.20245	2.4
381.17319	5.6
383.18823	22.2
385.20520	5.4
399.18420	5.7
401.20151	11.0
409.16760	2.0
411.18262	7.9
419.20898	1.1
427.17633	16.3
429.19366	17.8
443.18137	1.6
445.18872	66.7
446.19037	1.4
447.20389	39.9
463.19980	16.0
465.21536	91.9
466.21960	1.9
468.20493	2.4
483.22412	1.9
489.21536	20.2
507.22543	33.5
515.23022	1.5
541.24548	7.8
559.25830	10.0
573.27173	32.3
591.28424	22.3
633.29321	100.0
634.29889	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	633.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05490	4.6
57.03427	1.4
67.05484	6.2
69.03423	7.4
69.07047	6.1
75.05038	1.1
78.07893	0.9
79.05464	4.7
81.03394	2.5
81.07027	11.2
83.04969	1.3
85.02897	6.8
85.06546	1.7
87.04456	2.3
91.05465	4.8
92.08902	4.7
93.07020	7.1
94.06551	5.0
95.04936	2.2
95.08582	9.2
97.02856	5.8
97.06525	1.5
105.07006	7.1
107.08565	7.4
109.02867	1.2
109.06507	1.8
109.10149	5.8
119.04924	2.0
119.08550	6.3
121.10129	2.6
122.06001	14.8
123.08058	1.4
124.34830	1.1
127.03895	1.2
131.08536	2.3
133.10092	4.4
135.04247	1.7
136.07587	2.5
137.05997	1.5
137.09583	1.8
140.07062	11.3
143.08478	1.2
145.02855	4.3
145.10126	4.9
146.05954	5.4
147.04451	8.6
147.06746	1.8
147.11676	2.4
148.07556	18.0
150.05489	1.1
157.10144	1.5
159.11697	2.1
160.07613	1.9
161.09592	1.4
163.03893	4.5
165.09088	1.5
167.07077	1.4
170.09579	1.7
172.03896	1.8
175.11180	1.3
177.05449	5.8
181.04857	1.1
187.12230	5.8
190.04962	4.2
198.09119	24.2
200.09349	2.2
212.10670	4.4
213.96906	1.0
215.11792	26.6
225.10364	1.1
226.08661	6.7
227.08109	1.8
227.11760	6.6
229.13246	1.5
239.11891	1.4
241.09598	4.1
241.22626	1.1
242.10323	2.2
243.11232	100.0
255.11244	18.4
256.11728	2.2
257.12766	6.3
275.07278	2.3
283.10834	1.6
284.11591	1.4
285.12268	66.7
287.13892	3.9
301.11719	8.7
303.13348	55.9
321.23969	1.6
335.09573	1.6
338.84497	1.2
368.10794	1.1
413.17273	1.4
427.26007	1.1
431.18460	1.4
448.18796	1.7
474.16241	1.2
495.12802	1.6
497.13965	1.7
571.25415	9.8
633.27155	43.7
664.71478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81630	1.5
55.05503	3.7
56.91855	1.6
57.03423	22.5
57.23552	1.5
58.00366	2.0
59.05002	2.7
61.02909	1.8
67.05494	18.2
69.03412	75.7
69.07047	8.3
75.04462	4.0
77.40596	1.7
79.05464	12.7
80.38743	1.7
81.07040	48.2
82.07404	1.9
83.08595	9.3
85.02884	70.7
85.03362	3.6
87.04448	53.2
91.05460	8.9
93.07017	21.0
95.04951	2.2
95.08580	56.3
97.02865	69.6
97.10136	6.7
97.76430	1.8
99.04487	2.8
105.07003	15.2
107.08571	20.7
109.02892	3.2
109.10134	49.6
111.04465	2.2
115.03904	74.9
116.98535	1.6
119.08549	12.6
121.10104	25.8
122.06051	2.3
123.11677	13.5
127.03891	9.5
133.04935	58.5
133.10059	13.9
135.11665	60.9
137.13213	3.0
138.73337	2.3
140.07085	3.9
145.04951	12.5
145.10130	2.7
146.05974	2.9
147.04486	2.3
147.11684	20.9
149.13216	21.9
150.07597	13.4
151.14799	2.9
153.12692	3.7
159.11665	4.2
161.13237	25.4
161.63620	1.9
163.05937	2.3
163.14830	11.4
165.16388	23.8
173.13281	1.9
175.14819	19.5
177.16364	3.6
179.05315	2.4
179.93007	2.1
189.16322	20.1
203.17902	8.7
204.06474	2.7
215.17952	2.4
229.19475	4.3
259.08118	7.5
270.10315	2.0
283.10706	2.9
285.22519	4.0
285.25693	100.0
285.28741	4.0
286.26129	2.4
295.10172	8.2
303.26740	10.5
313.11890	2.2
371.58951	2.0
399.15411	3.7
401.16562	3.7
435.31039	3.6
478.80832	2.1
582.75311	2.0
600.24829	12.3
623.74341	2.2
632.30457	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	632.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88108	0.7
55.05505	3.2
56.82836	0.6
57.03422	9.6
57.07063	5.7
58.76321	0.7
59.04984	1.1
61.02908	0.9
67.05494	11.2
69.03410	26.0
69.03761	1.5
69.07049	1.4
70.06575	1.0
71.04959	1.6
73.02906	1.2
78.92748	0.8
79.05446	1.3
81.03375	1.7
81.07046	4.2
83.04968	1.9
83.08599	1.0
84.08124	3.2
85.02885	23.1
85.06528	22.6
87.04445	11.3
91.05432	1.4
93.07038	3.7
95.08566	1.4
97.02865	15.2
99.04371	1.3
105.07023	1.5
107.08591	3.6
108.08109	1.3
109.02857	0.9
109.10133	4.1
111.04438	1.0
115.03918	4.4
119.08559	3.0
121.10139	1.7
122.09637	6.4
123.10459	1.1
123.11701	0.9
127.03877	1.8
133.10139	3.9
134.09668	1.1
135.11690	3.2
136.07492	0.8
136.11224	1.4
137.05940	1.2
145.04942	0.9
148.11165	1.3
150.12761	5.3
163.03848	0.9
163.13693	0.9
167.06993	3.2
176.14349	1.7
177.05402	1.2
181.04971	2.0
188.14294	8.8
192.17500	1.9
204.13808	1.4
206.15375	20.3
207.06393	0.9
210.18582	1.0
214.02823	0.9
218.15381	1.4
220.16940	1.0
221.17764	4.1
232.13278	4.2
234.18469	13.7
250.14395	1.8
260.19980	1.3
265.00916	0.8
276.23117	15.1
278.17572	1.2
294.24197	38.1
294.27249	1.8
303.34674	1.0
320.22516	1.5
336.25342	1.1
338.23230	16.8
394.01498	0.9
456.29553	15.6
500.28412	37.4
524.82007	0.9
588.33606	3.1
632.32642	100.0
633.32904	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	632.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23216	0.7
54.05406	0.7
55.01862	1.2
55.05506	3.6
57.03426	12.0
57.07063	5.9
59.04980	1.2
63.68109	0.7
67.05489	10.5
69.03413	29.1
69.03761	1.6
69.07054	1.9
69.30594	0.8
70.06567	0.8
71.04981	0.9
73.02885	2.0
75.04491	1.0
79.05463	1.1
81.07043	1.9
83.04962	1.3
83.07246	0.8
84.08118	1.6
85.02887	26.8
85.03362	1.4
85.06526	23.2
87.04456	11.2
91.05493	1.9
93.07003	1.3
95.08595	2.0
97.02867	16.0
99.04502	0.9
105.07013	1.8
106.04150	0.9
107.08588	2.2
108.08146	1.2
109.02851	1.1
109.10167	2.1
111.04446	1.1
115.03910	6.4
119.08577	3.6
121.10138	1.5
122.09624	6.5
127.03959	1.5
133.10118	2.0
134.09694	1.4
135.11726	1.5
136.11171	1.4
137.05995	1.6
137.11940	1.0
140.04700	1.3
147.04451	1.2
150.12830	5.9
155.07089	1.1
167.07068	3.8
168.13873	1.9
175.14830	1.2
176.14323	1.5
177.05331	1.2
181.04955	3.8
188.14325	11.4
192.17473	2.0
204.13823	1.2
206.15334	17.1
207.06488	1.0
209.08141	2.0
221.17813	1.5
227.09224	1.5
232.13289	1.3
234.18475	13.3
250.14320	1.3
276.23196	14.2
278.17596	1.7
294.24216	37.1
294.27304	1.7
320.22101	1.1
338.23123	19.1
456.29401	12.9
500.28406	32.5
632.32684	100.0
633.33240	3.3
647.98102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.04988	0.3
60.10552	0.2
69.03418	6.9
73.02893	0.2
75.04453	0.4
79.05484	0.2
81.03401	0.4
81.79218	0.2
85.02895	5.3
87.04444	4.4
89.03947	0.2
91.03938	0.2
91.05441	0.4
92.08814	0.3
94.04158	1.2
95.04888	0.2
97.02866	4.9
97.06558	0.2
99.04496	0.2
115.03915	5.9
115.07549	0.4
116.84974	0.2
117.03346	0.2
119.04865	0.2
121.06490	0.4
122.03645	3.8
123.04399	0.2
127.03879	0.2
131.04913	0.4
133.04951	6.0
135.04385	0.4
137.05962	100.0
138.06314	0.3
141.09138	0.3
143.03871	0.2
145.02820	0.7
147.04384	0.4
149.05952	1.7
151.03876	0.3
151.07555	1.2
153.06966	1.3
159.04454	0.3
159.10104	0.3
161.05951	0.4
163.03871	1.9
163.07535	0.8
167.07010	0.3
177.05415	0.2
179.06981	0.4
181.06436	2.4
182.07190	0.3
191.07007	2.4
193.06512	0.3
209.06007	1.0
210.06773	0.3
213.09052	2.0
221.06068	0.2
225.09035	2.7
227.10370	0.2
237.08961	0.2
241.08627	2.3
242.09143	0.2
253.08517	2.3
259.08020	0.2
265.08557	0.3
266.50046	0.2
270.08777	0.4
273.11179	6.8
277.08984	0.3
285.08069	0.2
285.11154	4.9
295.10162	0.2
297.11160	1.3
303.12128	1.4
309.11038	0.3
315.12122	0.2
321.11288	0.2
339.12360	0.3
405.15356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	4.0
57.07070	41.3
66.03212	1.6
67.05492	3.8
69.07052	3.1
71.08614	30.1
73.06530	12.9
76.79621	1.8
81.07039	4.8
85.10158	16.7
87.04433	4.5
89.06013	100.0
95.08599	3.7
97.10120	3.3
98.00974	1.8
99.11732	2.9
107.07042	7.8
109.10107	2.2
111.78667	1.8
116.07036	2.4
117.09060	2.8
119.08582	2.1
121.10130	2.3
123.47648	1.8
133.08588	32.7
146.75879	2.4
177.11217	15.9
185.62735	2.2
199.20564	1.9
243.23164	11.7
272.43555	1.8
287.25769	7.8
337.78271	1.9
339.15344	2.0
459.27911	3.4
613.45264	15.4
630.47485	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	631.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81742	0.5
55.05501	0.6
56.94920	0.5
56.96278	1.3
56.96556	36.7
57.64616	0.7
67.05477	0.8
70.02192	0.5
70.98100	0.9
71.95244	1.0
79.05488	1.1
81.07040	0.9
84.96013	11.2
85.02892	1.5
85.06524	1.5
87.04462	3.4
91.05482	1.2
92.08657	1.1
92.09251	1.6
93.07007	0.9
95.08565	1.1
97.04053	0.7
98.97562	31.1
102.97054	0.7
105.07019	2.8
107.08563	1.5
110.97559	3.8
111.04386	0.6
112.99151	1.1
114.37006	0.8
116.98598	32.3
119.08565	1.1
121.10139	0.7
124.99095	0.8
127.00655	1.5
128.98582	9.6
129.99347	0.8
131.00136	4.8
131.08574	0.7
134.99635	21.9
140.98573	1.2
141.99313	0.7
143.00139	6.2
145.01697	5.9
146.99632	9.6
148.00409	2.5
149.01224	4.2
153.00664	4.5
155.00116	4.7
157.01718	4.2
158.99625	5.4
159.03276	2.3
161.01173	13.2
163.02780	4.2
165.00764	0.9
167.00082	4.8
173.01187	17.4
175.02753	8.3
177.00713	3.0
179.02271	5.8
185.01186	57.0
187.02788	4.5
189.00714	2.4
191.02248	5.4
193.03833	1.5
199.02852	3.2
203.02238	70.5
205.03920	1.0
208.02963	0.9
217.03809	9.3
219.05350	0.8
221.03307	17.4
221.05324	1.0
226.03848	1.0
235.04900	8.9
253.05939	1.5
277.05823	10.5
285.39496	0.9
301.11697	0.6
373.23611	1.3
385.20313	0.9
411.18317	0.7
429.19382	1.4
447.20547	1.0
489.21918	1.0
630.45514	2.6
631.27734	100.0
632.28149	1.0
649.28461	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	630.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.0
53.03939	1.6
54.81860	0.6
55.01862	1.7
55.05500	21.8
57.03425	8.9
57.07065	18.4
59.04988	1.9
61.02913	1.3
61.54726	0.6
62.68088	0.7
64.41750	0.7
65.03927	0.8
67.05488	37.4
68.05822	0.7
69.03413	26.9
69.07051	54.6
71.04964	11.6
71.08618	10.1
75.04475	0.9
79.05466	17.7
81.03407	3.5
81.07034	80.7
82.07388	1.0
83.04965	1.4
83.08599	40.3
85.02882	27.3
85.06525	4.8
85.10188	4.0
87.04440	19.0
91.05464	3.4
92.09119	4.1
93.07020	31.3
95.04952	3.1
95.08579	100.0
97.02865	24.3
97.03490	1.1
97.06513	3.5
97.10142	22.0
99.04448	0.9
99.08061	3.0
105.07022	6.0
107.08581	25.8
109.02886	1.4
109.10135	69.7
110.10562	0.9
111.04441	1.1
111.08072	2.9
111.11694	11.9
113.09619	1.7
115.03900	17.2
117.07080	1.0
119.08586	3.5
121.06478	1.3
121.10122	29.8
123.08049	0.9
123.11683	27.9
125.09641	3.9
125.13255	5.2
127.03895	3.8
127.11190	1.7
131.04933	0.8
133.04941	13.7
133.10097	1.8
135.11665	35.4
137.05954	1.5
137.13220	15.6
139.11137	3.2
139.14738	1.3
140.16006	0.7
143.08545	1.0
145.04929	4.6
145.10117	1.4
145.12239	3.7
147.04323	0.9
147.11678	1.3
149.13223	17.9
151.11110	0.9
151.14758	7.4
163.03905	1.3
163.06120	1.0
163.14772	12.5
165.16333	6.2
167.07005	1.2
167.14328	0.9
171.13838	1.3
177.05504	1.2
177.16336	7.4
178.04906	8.8
180.06676	0.8
181.05022	1.1
191.17914	9.3
193.04884	0.9
201.18460	7.6
201.45390	0.9
206.04369	5.3
207.21080	1.3
229.11699	0.9
247.24150	32.0
255.11237	1.6
259.07986	0.9
265.25204	17.0
272.07809	0.9
283.26233	56.1
295.10245	5.0
301.11795	3.0
301.27319	44.5
302.27789	0.8
319.28403	1.6
320.21786	0.8
357.10626	0.9
379.28207	0.9
496.38409	0.8
569.23676	1.2
595.21906	1.1
613.22491	1.6
657.89575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.3
55.01873	1.1
55.05507	9.1
57.03171	1.1
57.03430	19.8
57.07063	0.8
59.04987	4.8
59.59153	0.6
60.04513	1.2
61.00052	0.6
61.02912	1.0
64.33337	0.7
67.05495	13.2
68.52435	0.6
69.03416	66.6
69.07060	8.2
71.04977	2.7
73.02933	0.9
75.04458	3.5
79.05473	8.5
79.28270	0.7
81.03401	4.1
81.07039	30.6
82.07402	0.7
83.08603	9.2
84.04510	0.7
85.02890	42.6
87.04453	37.3
91.05456	8.0
93.07018	18.7
95.04983	1.0
95.08585	31.4
95.09196	1.1
97.02872	45.7
97.06496	0.7
97.10142	11.1
99.04444	1.5
105.07010	21.3
107.08575	18.6
109.02876	1.2
109.06463	0.7
109.10142	29.3
110.10522	0.8
111.04382	1.2
115.03907	47.9
117.07001	4.7
119.08549	16.1
121.06491	0.8
121.10123	14.6
123.11674	15.7
127.03902	4.5
129.07016	1.1
129.22183	0.8
131.08554	12.2
133.04945	40.5
133.10100	17.2
135.11670	16.7
137.13266	1.5
143.08582	3.5
145.02791	0.7
145.04945	7.0
145.10107	18.8
147.11665	28.9
149.09509	0.8
149.13237	20.8
150.07594	7.4
151.11194	1.2
157.10158	2.8
159.11658	32.4
161.13219	27.1
163.05949	0.9
163.14775	4.0
165.12738	4.7
169.04959	0.9
169.10110	0.8
171.11626	3.1
173.13223	20.9
175.14774	16.0
177.05536	1.1
178.05005	1.5
185.13162	5.0
187.14769	22.7
188.14981	0.7
189.16393	1.3
199.14725	8.8
201.16374	17.1
213.16292	5.2
215.17924	3.2
223.05791	0.9
227.17929	4.8
241.07166	1.2
241.19359	0.8
255.21251	1.4
257.22601	13.1
259.08078	4.8
277.09109	1.0
283.24133	100.0
295.10300	3.8
301.25189	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.2
55.01879	0.9
55.05501	7.6
57.03428	27.7
57.07051	0.9
59.04986	6.0
60.04511	3.5
61.02916	1.8
62.83835	0.8
67.05495	12.6
69.03413	95.9
69.07049	6.7
71.01351	0.7
73.02896	4.6
73.58509	0.7
74.76476	0.7
75.04446	6.2
79.05480	9.9
81.03396	7.1
81.07037	43.2
83.04976	1.4
83.08600	3.1
85.02889	74.5
87.04450	57.4
91.05459	16.6
93.07020	21.9
95.04935	1.7
95.08581	30.2
97.02868	75.8
97.06550	1.2
97.10149	5.6
99.04431	5.1
103.03916	1.3
105.07011	34.0
107.08566	18.4
109.02869	4.8
109.06499	1.1
109.10138	25.2
111.04438	2.0
111.11703	0.8
113.02356	1.2
114.37886	0.8
115.03911	73.5
117.06963	7.6
119.08571	18.9
121.10125	22.2
123.08044	1.1
123.11687	7.6
127.03871	11.0
129.07019	0.8
131.08536	17.2
133.04942	67.7
133.10101	73.7
135.11658	15.9
137.13234	3.4
143.08572	3.8
144.09354	1.9
145.02811	3.5
145.04947	11.5
145.10094	25.6
147.11662	33.6
149.13225	26.2
150.07603	9.0
151.03908	1.1
151.11154	17.4
157.10112	4.5
159.11670	33.9
159.12927	1.4
160.91881	0.9
161.13219	19.4
163.05974	3.0
163.11169	3.3
163.14740	6.7
165.12720	1.3
169.04929	4.0
171.11693	5.2
172.12360	0.9
173.13196	19.7
175.05954	1.0
175.14763	8.6
177.05458	4.0
177.12692	1.5
177.16162	0.9
185.13239	4.0
187.14803	23.4
189.16351	3.4
191.14262	1.0
199.14803	5.3
201.16357	9.9
203.17972	3.3
213.16388	10.7
215.17928	1.3
217.07057	1.0
227.17966	4.6
229.07028	1.1
241.07045	4.1
241.19510	3.8
244.58279	0.9
257.22620	4.8
259.08047	5.6
277.09076	3.7
283.24133	100.0
295.10190	10.3
301.25208	53.4
344.01245	0.9
377.81903	0.9
551.08038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01865	0.9
55.05503	12.1
56.96558	2.1
57.03170	1.4
57.03430	23.1
59.04986	3.5
60.04512	1.2
61.42014	0.8
65.17623	0.7
67.05486	12.0
69.03416	54.3
69.07050	5.6
75.04455	2.2
78.91065	0.7
79.05461	7.7
80.21833	0.8
81.03393	2.2
81.07035	31.1
83.08611	4.7
85.02891	41.8
85.06497	1.0
87.04445	32.9
91.05435	8.7
92.08633	2.3
93.07016	17.5
95.04968	1.3
95.08591	24.4
97.02869	44.2
97.10142	20.9
98.97562	8.8
99.04417	1.1
101.11677	0.9
105.07013	22.1
107.08575	16.5
109.10139	21.3
112.27811	0.9
115.03912	40.6
116.98566	7.3
117.06969	6.3
119.08546	17.7
121.10120	14.5
123.11631	9.0
127.03864	4.1
129.06949	1.2
131.08533	13.8
133.04933	38.7
133.10101	18.7
134.99622	6.1
135.11662	17.5
137.13257	1.5
143.00203	1.2
143.08524	1.1
145.04965	3.7
145.10110	20.5
147.11665	30.1
149.13226	19.5
150.07594	7.9
153.00836	1.0
157.10117	4.2
159.11665	33.0
161.13226	28.6
163.14786	3.3
165.12733	4.4
166.37515	1.0
171.11661	1.4
173.13235	21.7
175.14774	15.9
177.16383	1.0
185.13243	5.1
187.02626	1.3
187.14775	46.2
187.16446	1.7
189.16396	4.1
199.14809	5.6
201.16327	13.5
203.02293	1.5
213.16376	5.1
215.17943	1.0
227.17824	6.2
241.06944	1.3
250.12808	0.9
252.86765	1.1
255.21085	1.1
257.22595	19.1
259.08035	1.4
277.09030	1.8
283.24139	100.0
295.10153	2.1
300.23901	1.5
301.25208	45.9
352.43054	0.9
365.15149	0.8
460.16800	1.4
461.17892	1.3
462.18436	1.2
486.18900	1.1
504.20041	1.3
555.80133	0.9
588.25848	1.1
630.26715	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	630.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61718	0.2
57.03426	0.3
57.07069	42.1
69.03416	0.9
79.05478	2.1
81.07040	16.2
83.08616	0.3
84.82794	0.2
85.02890	4.0
85.06529	19.5
97.02858	1.2
99.08043	0.7
99.92258	0.2
102.51253	0.2
107.12766	0.2
109.06505	20.2
115.07560	1.4
122.76360	0.2
122.86045	0.2
127.03928	0.9
127.07532	100.0
128.07831	0.4
137.04126	0.3
137.05966	0.9
145.08580	61.7
163.03857	0.4
208.03400	0.2
301.46667	0.3
307.13824	17.8
324.16351	1.2
352.99173	0.2
462.56552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.6
53.03937	0.9
55.01847	0.7
55.05500	1.6
57.03429	32.9
59.04992	6.3
60.04497	3.0
61.02903	4.9
67.05495	6.2
69.03416	100.0
69.07060	1.2
71.01348	0.8
71.04977	6.7
73.02890	3.4
75.04457	6.1
79.05486	4.0
81.03391	4.8
81.07035	18.7
83.04966	1.3
83.08589	2.7
85.02890	97.1
85.06520	1.7
85.15414	0.7
87.04449	60.8
91.03932	1.1
91.05445	5.1
93.07025	8.6
95.04975	1.6
95.08585	15.7
97.02872	83.1
97.10183	0.8
99.04443	4.3
99.08063	0.8
101.02359	0.8
103.03933	1.3
105.07029	7.5
107.08568	10.3
109.02839	5.5
109.09465	0.9
109.10147	10.6
111.04440	1.2
113.09595	1.1
114.09184	1.3
115.03910	68.3
117.06978	1.1
119.08552	7.2
121.10120	8.6
123.04520	0.8
123.05818	0.7
123.11713	3.5
127.03891	12.8
131.08533	4.6
133.04942	56.2
133.10121	9.8
135.04382	0.8
135.11671	15.6
139.03886	0.9
145.04959	14.4
145.10135	7.8
147.11656	13.1
149.13240	9.0
150.07590	9.3
151.03954	0.8
151.11108	1.1
157.10133	1.2
159.11658	8.5
159.76663	0.9
161.13231	8.9
163.06009	4.5
163.14789	5.3
165.12779	0.9
169.04913	3.2
173.13199	7.5
175.14771	7.6
180.60349	0.8
183.67841	0.7
185.13266	1.2
187.14767	7.2
189.16351	13.7
199.14809	1.4
201.16328	6.1
202.11304	0.8
205.15904	0.9
213.16347	1.6
223.05763	0.9
227.17816	5.5
229.07053	1.4
240.19586	0.8
241.07091	1.6
255.20799	0.9
257.22537	11.3
259.08078	5.1
277.09091	5.1
283.24152	48.9
295.10220	5.8
301.25211	73.5
317.24646	4.5
319.26248	23.2
433.29294	5.8
504.91699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01855	2.1
55.05486	2.1
57.03429	1.8
60.79361	1.4
62.21906	1.5
67.05486	3.2
68.20317	1.7
69.03402	8.9
71.04996	1.9
76.07661	1.5
79.05466	11.1
81.03384	11.3
81.07043	6.6
85.02898	13.0
87.04523	1.5
91.05445	6.0
93.07034	4.1
95.04935	3.4
95.08602	7.9
97.02862	3.4
105.07009	7.6
107.04931	23.4
109.10126	3.3
115.05396	2.6
117.06994	12.4
119.08533	1.9
121.06442	2.1
123.04389	8.5
124.05231	3.5
124.13822	1.8
128.06219	3.4
129.05486	2.1
129.06955	3.5
131.04909	1.8
131.08513	7.1
133.06503	2.0
141.06961	2.1
143.08517	2.3
144.05676	2.1
145.02831	1.9
145.06494	18.2
152.04683	3.4
156.05676	9.3
157.06442	2.6
158.07188	2.6
159.08049	13.0
161.05960	2.1
167.07005	100.0
173.05945	32.5
177.05409	3.4
179.07001	2.8
181.04941	2.4
181.08614	7.4
187.07512	10.8
190.06216	20.7
193.08618	3.2
199.07510	3.5
202.06154	6.2
205.08556	22.9
217.08566	43.2
219.07996	2.3
219.09987	2.0
231.08092	3.5
231.10129	20.8
233.09708	2.1
235.09662	3.8
247.07401	8.3
247.09746	6.6
248.08183	3.7
263.10657	2.9
264.07724	2.4
265.10605	7.5
267.39380	1.9
275.06912	2.1
276.07782	2.3
278.73926	1.8
279.10202	2.8
289.08252	1.8
291.10245	3.3
293.07864	2.0
301.07077	2.3
307.09677	2.4
308.10397	2.0
315.08664	9.7
330.10834	7.7
336.09769	2.2
351.12088	4.0
353.10205	2.0
368.12277	4.0
371.14548	2.6
383.14798	25.8
385.16428	25.9
397.16571	2.3
401.15756	17.6
454.18390	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	630.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01865	1.2
55.05505	0.6
57.03445	1.8
59.52670	0.5
61.02908	2.5
67.05498	0.9
69.03426	4.4
69.07034	0.6
71.04954	1.0
75.04473	0.5
78.04669	0.9
79.05471	9.0
81.03401	10.9
81.07030	3.4
84.90358	0.5
85.02890	9.6
87.04464	0.9
91.05467	7.5
92.08829	2.9
93.07007	1.2
94.04153	0.7
95.04935	5.0
95.08594	2.0
97.02869	3.5
99.80642	0.5
103.05448	2.1
105.07011	4.3
106.04152	2.5
107.04937	23.1
107.08537	0.7
109.02913	0.8
109.06490	0.6
109.10136	3.5
111.04402	0.8
115.05444	6.4
116.06211	0.6
117.06220	0.8
117.06994	14.3
119.04877	0.9
119.08524	1.0
121.06487	4.7
121.10033	0.8
122.03571	0.6
123.04391	5.0
124.05198	6.1
125.05965	3.5
127.03864	0.9
128.06178	2.8
129.06982	5.0
131.04878	2.1
131.08559	7.7
133.06487	3.8
134.03673	0.7
137.05945	3.0
137.09602	1.1
140.04626	0.7
141.06973	4.1
143.08531	2.1
144.05698	5.9
145.06468	33.2
147.04376	2.9
147.08057	1.0
149.05969	1.3
151.25032	0.5
152.04704	3.8
153.07021	0.6
155.05943	3.9
155.07034	1.7
156.05687	12.3
157.06450	3.8
158.07239	1.2
159.08031	12.0
161.05933	5.2
163.03867	0.8
166.06174	0.7
167.07004	100.0
169.06427	0.8
169.07664	0.6
170.07280	3.1
171.08000	3.5
172.05095	1.9
173.05948	44.4
174.06717	0.9
175.07507	1.9
177.05406	2.8
179.06995	2.0
181.04968	0.8
181.08557	8.6
183.08154	0.6
184.05206	2.8
185.05855	0.6
186.06708	3.0
186.26770	0.5
187.07506	11.0
189.05466	0.8
189.09087	0.6
190.06215	32.3
191.06941	3.7
193.08540	6.1
198.06752	1.9
199.07518	4.1
201.09003	1.0
202.06227	6.0
202.07834	0.8
203.06978	4.2
203.08524	1.5
204.07735	2.0
205.08557	47.1
207.06461	2.4
207.10071	0.8
208.05066	0.8
208.08852	0.8
209.08028	1.2
211.07544	0.8
215.06976	2.4
217.08556	46.2
218.07240	2.5
219.08006	6.1
219.10130	5.5
220.08766	1.8
221.05922	0.7
223.09566	0.9
229.08591	3.2
231.08003	3.9
231.10144	13.2
232.08812	0.9
233.09589	4.0
235.07391	2.3
235.09538	11.6
236.08235	1.2
238.06218	0.9
245.09534	1.9
246.06718	1.0
247.07434	6.1
247.09648	10.3
248.08208	6.4
249.05406	0.8
249.08972	2.5
249.11221	3.6
251.10654	1.1
255.06375	0.9
256.07309	0.6
259.07489	0.9
261.05405	0.7
261.09000	3.8
262.09845	2.7
263.06992	3.3
263.10394	4.4
264.07846	5.1
265.08447	1.9
265.10715	15.4
267.10223	0.6
268.11185	0.6
268.78052	0.5
269.08020	3.9
271.09622	3.3
275.07022	2.8
276.07666	4.5
277.08524	2.9
278.09155	1.0
279.10077	5.7
280.10669	1.1
281.08133	2.2
281.11508	0.6
282.08707	2.1
285.07690	0.8
289.08563	0.9
290.09338	3.0
291.10107	5.7
292.07217	2.6
293.07977	5.4
293.11377	1.1
295.09476	0.9
296.10397	1.2
299.08960	0.8
299.25833	0.7
304.07135	0.7
305.08047	2.3
306.08426	0.6
307.09570	5.5
308.10297	3.5
309.10989	0.7
310.12170	0.5
311.12695	1.1
315.08594	10.4
319.09677	2.4
320.10406	0.8
321.07413	1.1
321.11096	1.2
322.08301	1.1
322.11896	1.1
323.12814	4.4
324.09769	0.7
325.10727	0.8
330.10934	12.6
331.11649	2.4
336.09894	2.5
337.10660	4.3
339.12204	3.9
343.11658	2.8
350.11389	2.4
351.12192	5.4
353.10126	5.0
353.13922	2.2
356.12485	2.0
368.12396	4.9
371.14880	4.4
383.14801	49.9
385.11423	0.7
385.16385	18.0
401.15866	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.2
55.05500	30.3
58.67107	3.4
60.31648	3.6
67.05495	100.0
69.07053	36.0
71.04964	8.0
79.05486	36.7
81.07040	99.3
83.04955	5.1
83.08588	20.9
85.06554	3.9
91.05460	16.8
93.07026	49.3
95.08585	90.6
97.06503	4.8
97.10148	7.3
105.06998	20.2
106.62695	3.8
107.08604	30.0
107.48827	3.6
109.10154	47.1
119.08555	20.0
121.10154	32.2
123.11684	21.4
131.08531	6.8
133.10118	18.5
135.11659	15.5
143.66789	4.1
145.10101	16.8
147.11668	8.6
149.13309	6.2
151.14824	4.4
159.11710	6.2
161.13268	5.1
173.13222	4.7
243.20967	4.1
256.53952	4.1
257.90424	4.2
261.22015	23.3
279.23151	70.2
297.24155	21.6
539.44135	16.2
575.46252	8.9
611.48535	26.3
627.33636	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	629.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.8
53.03941	1.0
55.01855	1.1
55.05506	5.8
56.50272	0.6
57.03175	1.0
57.03432	21.4
57.07077	0.9
58.74681	0.7
59.05001	6.0
61.02912	1.5
62.39819	0.8
64.51789	0.7
67.05486	10.5
69.03416	71.2
69.07028	6.4
70.04452	0.7
71.04975	3.8
72.26366	0.7
73.02893	1.5
75.04452	4.6
79.05472	10.5
81.03407	4.4
81.06597	1.1
81.07040	19.5
82.07330	1.0
83.04987	1.7
83.08605	3.4
85.02890	67.6
85.06527	8.6
87.04451	37.6
88.12802	0.8
91.05465	10.6
92.09145	4.2
93.07024	18.2
95.04949	3.2
95.08588	21.9
97.02867	53.1
97.06535	1.5
97.10151	0.9
99.04450	1.6
103.03899	0.9
105.07015	19.8
107.08578	22.4
109.02884	3.2
109.06516	1.8
109.10138	15.4
111.08047	0.8
113.06904	0.8
114.38357	0.9
115.03908	35.1
117.07018	4.3
119.08559	23.3
121.06491	1.6
121.10141	12.6
123.04428	1.3
123.11657	6.7
127.03913	8.6
129.06963	3.4
131.08553	10.8
133.04945	32.7
133.10109	19.1
135.11703	11.6
137.05991	1.5
137.09586	1.2
137.13249	1.0
139.03889	1.1
143.08517	8.1
145.04941	7.1
145.10104	22.5
147.11676	24.5
149.13245	8.1
151.11203	1.0
155.08527	1.5
157.10109	9.1
159.11664	20.4
161.13226	13.6
163.11192	1.1
163.14809	3.6
165.12753	1.0
167.07071	1.2
169.04915	1.1
169.10101	3.3
171.11639	13.0
173.13239	21.7
175.11121	1.4
175.14806	4.5
177.05469	1.2
177.16383	1.3
183.11659	3.3
185.13248	9.7
187.14812	12.7
189.12704	3.7
189.16394	1.9
191.14346	3.8
197.13275	5.4
199.14799	12.2
201.16304	3.7
203.09550	0.9
203.14240	6.8
205.15886	3.5
211.14827	4.3
211.67227	0.8
213.16405	3.5
215.17905	3.4
225.16281	6.6
227.18112	1.0
229.19540	3.3
239.17946	4.3
241.19514	4.8
243.17397	0.8
250.20979	0.8
255.21002	12.1
257.22620	1.4
259.08057	1.1
273.22034	1.6
281.22580	36.5
295.10266	1.6
297.22116	1.4
299.23633	100.0
300.24091	1.3
315.23257	2.8
316.23486	1.0
317.24686	82.5
318.24918	1.6
335.25717	6.1
426.47495	0.9
431.27963	1.8
461.28806	1.8
479.29996	17.0
497.30725	1.1
562.26733	0.9
607.58856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.7
53.03947	1.0
55.01839	1.0
55.05499	4.4
55.30016	0.6
55.87166	0.6
56.04228	0.6
57.03428	10.7
59.04977	1.3
60.28178	0.7
61.02909	1.3
67.05482	8.3
68.74206	0.7
69.03067	1.3
69.03414	26.5
69.07046	3.8
73.02881	1.2
75.04454	1.2
78.20335	0.6
79.05473	7.6
81.03400	3.3
81.07034	23.3
83.04945	1.0
83.08608	5.3
85.02889	39.8
85.06488	0.8
87.04447	11.2
90.57150	0.7
91.05447	10.6
93.07023	14.1
95.04942	1.1
95.08584	20.2
96.71849	0.7
97.02871	18.0
97.06508	1.0
97.10135	3.1
99.04432	0.9
105.06355	1.3
105.07014	21.6
107.08572	18.8
109.02885	3.1
109.06506	1.3
109.10139	16.1
115.03951	6.8
115.04610	0.9
117.06980	5.2
119.07710	1.3
119.08561	36.8
120.91301	0.7
121.10112	11.7
123.07982	0.9
123.11674	5.1
127.03907	5.7
129.06973	0.8
131.08534	14.2
133.04930	4.6
133.10101	21.2
135.08006	1.3
135.11687	11.4
137.09587	1.9
137.13266	1.2
143.08517	7.1
145.04964	2.8
145.10103	20.7
147.11664	25.5
149.13223	14.3
151.11156	1.8
155.08530	1.2
156.09387	0.9
157.10060	7.1
159.11670	17.1
161.13205	13.4
163.14813	3.2
169.10092	1.8
171.11653	20.6
173.13229	38.5
173.14737	1.2
175.11194	1.2
175.14786	5.5
177.12680	1.0
183.11644	3.3
185.13234	14.2
187.14769	16.2
189.12646	1.7
189.16409	3.1
191.14201	1.6
197.13263	6.4
199.14799	17.2
201.16353	5.1
203.14267	1.7
205.15689	1.4
211.14734	6.0
213.16316	4.9
217.15904	1.5
225.16255	6.3
227.17934	1.0
239.17815	3.0
241.19395	5.4
253.19507	1.2
255.21043	8.2
257.22519	4.3
281.22580	47.4
282.22952	1.1
299.23621	80.3
317.24683	100.0
318.24844	1.6
335.25708	34.7
479.29599	1.0
487.08972	0.9
497.30988	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	629.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12941	1.7
50.90011	1.8
53.03930	3.7
55.05494	12.7
55.98269	1.9
57.03431	4.3
61.02915	2.3
67.05486	10.3
69.03423	20.5
69.07055	15.5
71.04979	2.0
71.71968	2.2
77.17136	2.0
78.03404	2.5
79.05475	4.4
81.03401	2.1
81.07034	26.6
83.04953	4.4
83.08585	5.5
85.02873	25.9
85.06523	2.4
87.04469	4.1
91.05463	8.9
93.07009	22.2
93.39417	2.1
94.06558	9.0
95.04920	4.2
95.08592	19.9
97.02868	10.3
97.06505	18.1
98.06834	3.1
98.97564	2.6
99.82619	1.9
100.11253	13.5
105.07020	10.3
107.08578	13.6
108.04470	8.3
109.06490	14.7
109.10148	13.0
110.06824	3.1
111.04427	4.6
111.08035	2.5
119.08559	4.8
121.06504	3.3
121.10126	12.2
123.11670	2.4
127.03883	2.0
129.06961	3.3
133.04980	2.5
133.10130	3.2
134.05974	27.1
135.11633	11.1
136.07555	14.6
138.09079	3.6
145.04950	4.5
145.10095	3.0
147.11678	3.2
149.13229	4.4
152.03410	10.8
159.11696	2.7
161.13254	2.8
163.11151	2.4
164.07034	2.8
167.07042	12.6
169.10219	2.4
177.05478	2.6
178.04959	100.0
180.02911	11.2
180.06564	3.1
181.04994	9.0
182.15396	2.4
183.09155	5.2
185.10690	4.5
185.13280	2.5
197.10690	2.4
205.19577	2.3
211.08647	3.6
223.20496	2.4
225.10233	5.5
228.10283	3.3
229.09766	2.5
243.11209	4.1
245.12718	5.4
253.09697	11.2
254.08109	3.1
255.11148	2.2
256.09467	17.0
257.09219	3.7
264.23853	2.4
271.10803	25.6
295.10654	3.6
297.08682	3.1
299.10275	4.4
300.08655	2.8
300.26273	2.6
307.27353	2.4
313.11542	3.2
317.11212	23.4
333.24152	4.1
334.24588	22.8
334.47412	2.2
335.24805	3.2
349.12247	2.2
375.13089	2.7
452.17932	3.9
543.22723	2.5
568.20245	5.1
585.23187	23.5
594.18250	4.8
611.21497	23.4
629.21350	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	628.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05503	27.8
56.88427	1.8
57.03417	3.9
57.07062	3.8
60.93151	1.6
67.05488	90.9
69.07046	35.6
71.04971	10.1
79.05470	47.2
81.07036	100.0
83.04936	2.8
83.08607	19.6
85.06513	7.1
89.06008	7.3
91.05459	24.7
92.08570	1.8
92.08982	12.3
93.07017	49.1
94.35849	1.6
95.04945	2.2
95.08580	86.1
97.06506	11.9
97.10162	4.2
99.08119	2.7
105.07012	18.8
107.08575	30.4
109.09470	3.2
109.10146	51.4
111.08083	4.4
117.06995	8.8
119.08588	15.0
121.10110	32.3
123.07971	2.5
123.11663	14.3
125.09589	2.6
131.08493	13.1
133.08617	2.7
133.10060	13.4
135.08051	3.3
135.11681	21.6
137.09572	2.3
137.13203	5.9
139.11182	3.8
145.10115	10.2
147.11655	10.6
149.09596	2.6
149.13235	11.1
159.11607	7.6
161.13220	11.0
163.14742	3.8
171.11868	2.0
173.13219	4.1
175.14745	3.9
179.14285	2.2
187.14827	3.7
243.21106	8.0
261.22073	24.8
279.23108	50.6
297.24246	15.8
380.00937	1.8
521.43677	3.4
539.44513	10.0
552.05328	1.9
557.45563	30.2
571.14429	2.3
575.46533	23.5
593.47351	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	629.2238
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.12941	1.7
50.90011	1.8
53.03930	3.7
55.05494	12.7
55.98269	1.9
57.03431	4.3
61.02915	2.3
67.05486	10.3
69.03423	20.5
69.07055	15.5
71.04979	2.0
71.71968	2.2
77.17136	2.0
78.03404	2.5
79.05475	4.4
81.03401	2.1
81.07034	26.6
83.04953	4.4
83.08585	5.5
85.02873	25.9
85.06523	2.4
87.04469	4.1
91.05463	8.9
93.07009	22.2
93.39417	2.1
94.06558	9.0
95.04920	4.2
95.08592	19.9
97.02868	10.3
97.06505	18.1
98.06834	3.1
98.97564	2.6
99.82619	1.9
100.11253	13.5
105.07020	10.3
107.08578	13.6
108.04470	8.3
109.06490	14.7
109.10148	13.0
110.06824	3.1
111.04427	4.6
111.08035	2.5
119.08559	4.8
121.06504	3.3
121.10126	12.2
123.11670	2.4
127.03883	2.0
129.06961	3.3
133.04980	2.5
133.10130	3.2
134.05974	27.1
135.11633	11.1
136.07555	14.6
138.09079	3.6
145.04950	4.5
145.10095	3.0
147.11678	3.2
149.13229	4.4
152.03410	10.8
159.11696	2.7
161.13254	2.8
163.11151	2.4
164.07034	2.8
167.07042	12.6
169.10219	2.4
177.05478	2.6
178.04959	100.0
180.02911	11.2
180.06564	3.1
181.04994	9.0
182.15396	2.4
183.09155	5.2
185.10690	4.5
185.13280	2.5
197.10690	2.4
205.19577	2.3
211.08647	3.6
223.20496	2.4
225.10233	5.5
228.10283	3.3
229.09766	2.5
243.11209	4.1
245.12718	5.4
253.09697	11.2
254.08109	3.1
255.11148	2.2
256.09467	17.0
257.09219	3.7
264.23853	2.4
271.10803	25.6
295.10654	3.6
297.08682	3.1
299.10275	4.4
300.08655	2.8
300.26273	2.6
307.27353	2.4
313.11542	3.2
317.11212	23.4
333.24152	4.1
334.24588	22.8
334.47412	2.2
335.24805	3.2
349.12247	2.2
375.13089	2.7
452.17932	3.9
543.22723	2.5
568.20245	5.1
585.23187	23.5
594.18250	4.8
611.21497	23.4
629.21350	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	628.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.2
55.05501	4.5
57.03168	1.8
57.03427	29.6
58.91943	0.9
59.04985	6.2
60.04511	2.2
67.05499	11.3
69.03415	84.4
69.07059	2.7
71.04975	1.9
71.09545	0.9
73.02896	1.2
75.04449	5.5
79.05482	5.6
81.03414	2.2
81.07032	25.9
83.08615	1.5
85.02888	56.8
85.06530	24.1
87.04452	48.1
91.05459	7.4
93.07023	16.1
95.04922	1.3
95.08582	17.4
97.02866	58.7
99.04440	1.7
105.07012	20.3
107.08569	15.8
109.10134	13.3
115.03904	55.4
117.07021	2.1
119.08540	19.0
121.10079	9.7
123.11663	4.2
127.03880	2.6
129.06950	5.4
131.08542	25.5
133.04938	50.3
133.10101	15.5
135.11682	9.6
137.09575	2.1
143.08534	7.1
145.04987	5.3
145.10103	10.1
147.11676	18.6
149.13245	26.4
150.07603	10.3
151.11156	4.3
155.08562	2.1
157.10123	7.4
159.11655	24.9
161.13214	44.6
165.12746	1.2
169.04890	1.6
169.10007	2.5
171.11635	18.0
173.13216	10.3
175.14751	12.1
179.80226	1.3
183.11612	1.7
185.13200	10.6
187.14754	2.4
189.12665	8.6
191.14261	1.5
197.13312	4.8
199.14735	9.0
202.65215	1.1
211.14796	9.6
213.16309	2.1
215.18004	2.1
217.15747	1.8
225.16321	8.6
241.07025	1.3
241.19533	2.1
255.21008	4.6
257.22485	2.2
259.08102	2.5
277.09116	4.4
281.22580	72.0
295.10129	4.4
296.80713	1.5
299.23633	100.0
317.24689	12.9
400.79837	1.2
417.20059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.7
53.03927	0.7
55.01849	1.5
55.05502	26.5
55.91477	0.7
57.03426	3.3
57.07082	5.7
59.04986	0.8
65.03913	3.1
67.05487	90.6
69.07052	28.7
71.04974	6.9
78.60435	0.7
79.05470	34.6
81.07033	100.0
83.04962	2.9
83.08598	17.0
85.06546	5.8
85.10151	0.7
91.05450	20.6
92.09262	0.9
93.07022	46.4
95.04953	1.7
95.08581	82.3
97.06493	6.8
97.10162	8.1
99.08060	1.1
105.07013	19.1
107.04913	0.9
107.08573	26.5
109.06484	1.5
109.10140	37.3
111.08070	5.6
111.11711	1.0
117.07035	5.8
119.08549	15.7
121.09247	1.2
121.10118	27.3
123.08024	3.3
123.11671	15.3
125.09579	1.5
131.08542	12.2
133.10109	12.8
135.08011	1.9
135.11659	19.9
137.09564	1.9
137.13197	4.5
139.11131	1.8
143.08464	0.8
145.10103	10.3
147.11646	11.2
149.09572	1.9
149.13251	6.1
151.11171	1.7
151.14809	1.0
153.12706	0.9
157.41156	0.8
159.11653	7.5
161.13228	7.2
163.11179	1.7
163.14737	2.9
165.12692	1.9
165.16335	0.7
171.11700	0.9
173.11760	1.8
173.13225	6.1
175.14790	4.2
177.16324	1.3
179.14240	3.3
187.14819	4.2
193.15691	0.9
195.13747	1.1
201.16350	0.9
233.22635	0.9
241.19794	0.9
243.20987	9.7
261.22025	16.5
279.23114	49.1
280.23474	0.9
297.24200	13.8
311.92374	0.9
329.16113	0.8
397.46228	0.9
434.76813	0.9
435.34305	1.2
521.43591	1.2
539.44238	7.4
556.97864	1.0
557.45435	12.6
575.46613	8.9
593.47455	0.9
611.48566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
56.96553	10.7
57.44566	0.6
67.05484	0.8
76.09072	0.7
79.05463	1.0
81.07040	6.6
83.04968	1.0
91.05451	1.0
93.07008	5.0
95.08575	6.6
98.97571	15.9
102.09139	0.8
105.07052	5.7
107.08575	8.8
109.10148	1.8
114.37303	0.7
116.98605	21.3
119.08538	7.2
121.10133	8.1
123.11677	4.1
131.08551	1.4
133.10132	7.2
134.99631	20.8
135.11638	1.3
143.08528	0.8
145.10110	4.9
147.11714	1.4
153.00682	3.5
159.11633	5.4
161.13095	1.1
173.13190	1.6
175.14709	1.2
189.16356	3.6
201.16373	3.1
215.17928	3.2
256.26260	1.0
265.11276	1.2
275.12906	1.0
299.15427	0.7
309.13647	3.0
318.29941	3.7
323.15186	1.0
327.14886	5.1
329.16171	4.5
341.16199	1.8
349.72476	0.8
461.27103	1.6
479.28134	4.0
491.28159	1.7
497.29251	5.4
499.31714	0.9
501.32111	1.3
507.31458	0.7
509.29065	4.6
515.30560	6.1
527.30157	13.1
533.31207	1.0
545.31512	14.2
561.34625	5.5
563.32245	3.5
587.32379	21.0
605.33521	100.0
623.34015	4.4
628.34991	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	628.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78057	1.1
52.95367	1.2
56.96561	12.6
61.94992	1.1
81.07026	2.0
85.07344	1.7
88.14455	1.2
90.87813	1.5
95.08535	1.3
98.97581	14.2
101.96951	1.3
102.71778	1.3
106.82253	1.3
116.98595	13.6
133.10173	1.4
134.99625	12.8
145.10103	1.9
149.13184	1.6
153.00731	2.1
229.00380	1.6
234.93126	1.4
288.52740	1.4
309.13712	2.1
329.16226	2.2
447.25903	2.1
449.27774	2.3
453.26419	1.8
479.28363	5.9
481.26392	2.7
495.27820	1.6
497.29340	7.3
499.26886	1.9
513.29065	2.5
515.30524	19.7
527.30273	8.8
531.29846	24.8
533.31372	34.7
545.31128	10.0
578.87231	1.5
587.32397	87.7
605.33545	100.0
623.33575	1.7
628.35278	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	628.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.6
53.03931	1.0
54.82022	0.7
55.01862	1.5
55.05499	1.0
57.03171	1.0
57.03425	17.7
57.07055	3.2
57.84106	0.6
59.04986	4.5
61.02911	5.5
64.99826	0.6
66.03505	0.5
67.05489	5.6
69.03413	58.7
69.07043	5.4
70.98459	0.6
71.04963	1.3
73.02892	4.2
74.85442	0.7
75.04452	2.9
79.05466	10.1
81.03403	7.0
81.07034	100.0
85.02885	96.2
87.04449	40.3
91.03929	4.2
91.33750	0.6
92.09009	1.0
93.07004	3.4
95.04928	1.4
95.08585	22.6
97.02866	66.8
99.04430	5.2
103.03911	1.3
105.06975	1.2
107.08569	1.4
109.02836	5.7
109.10101	1.2
115.03905	57.0
119.08585	0.7
121.10049	0.8
123.04343	0.8
123.11667	0.8
124.10847	0.6
127.03880	19.1
133.04933	49.0
135.11638	0.8
137.13235	13.9
145.04927	24.2
163.05995	13.4
169.04955	1.3
241.06970	2.3
251.16281	0.6
259.08081	9.2
269.17450	2.6
277.09055	3.1
289.09103	1.3
295.10144	9.8
305.34872	0.7
325.11215	11.4
417.57867	0.7
501.49780	0.7
548.71216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.6
55.05508	46.8
57.03428	11.3
59.31956	3.9
63.11553	4.4
63.13517	3.6
65.03913	4.8
65.10801	3.8
65.91762	4.6
67.05498	84.3
69.07049	30.1
76.44747	4.7
79.05478	79.5
81.07045	100.0
83.08620	18.4
91.05444	61.7
93.07036	84.1
93.51639	5.0
95.04928	9.3
95.08586	50.8
97.06493	19.0
97.10127	5.4
105.07022	70.1
107.08582	54.3
109.06516	5.4
109.10143	22.0
111.08055	5.1
117.07005	24.2
119.08580	45.3
121.06557	4.5
121.10117	32.3
129.06972	8.8
131.08566	31.3
133.10078	36.0
135.11702	9.3
143.08510	16.6
145.10107	36.0
147.11671	26.2
149.09657	7.3
149.13187	5.3
157.10124	8.1
159.11659	30.2
171.11610	8.9
173.13268	5.7
187.14784	5.7
189.02902	4.8
197.37779	5.1
206.74730	5.4
223.81004	4.7
275.20197	31.8
327.26437	6.0
335.25739	23.7
349.23746	11.5
388.35086	4.8
461.86896	5.2
517.39771	5.6
609.44757	47.0
627.45740	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81713	3.4
55.01867	5.6
55.05505	35.2
57.03437	25.9
58.47120	3.0
59.51204	2.9
62.08789	3.0
62.72626	3.4
66.74656	2.9
67.05492	89.9
69.07061	27.8
69.45180	3.4
73.04765	4.0
79.05471	73.2
81.07039	85.4
83.04971	5.3
83.08627	13.7
85.06577	3.1
91.05400	62.2
92.09123	28.2
93.07027	69.5
95.04944	8.0
95.08585	50.0
97.06536	6.8
105.07021	41.5
107.04929	5.9
107.08577	35.4
109.06522	6.6
109.10154	17.6
114.79086	3.2
117.06981	25.0
119.08571	34.6
121.10123	21.1
131.08551	29.1
133.10100	18.3
135.11719	8.1
137.09540	3.3
145.10124	15.7
147.11600	13.2
152.29004	3.5
153.12689	3.6
159.11693	16.2
161.13277	4.5
201.16591	3.8
219.17416	100.0
225.04240	8.1
226.04478	4.8
275.20038	17.5
279.89923	4.1
285.00815	6.9
299.06104	5.2
335.25754	66.7
349.23682	13.4
351.96277	4.1
609.45135	56.4
613.06085	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	627.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	20.3
63.24517	0.9
67.10442	0.7
71.95232	3.6
72.42755	0.8
75.77264	0.7
77.59676	0.8
84.96030	1.0
97.96790	1.1
98.97554	1.0
110.97564	1.4
127.06487	0.9
127.77802	0.9
128.98572	7.9
134.38095	0.9
140.14116	0.7
142.11258	0.9
146.89424	0.9
146.99640	13.3
155.03773	1.6
161.01227	1.9
165.00705	4.5
171.03270	1.2
189.04341	1.2
203.05872	1.5
233.08479	0.9
243.08917	1.1
263.09479	5.2
277.11469	1.1
303.12741	1.9
315.16251	32.5
315.19516	1.2
321.13730	0.9
331.15866	1.8
333.17294	100.0
351.18329	23.0
356.18930	5.1
374.19919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.03791	0.3
55.01860	0.4
55.05502	3.4
57.03432	4.4
59.04983	1.7
61.02900	0.9
62.51536	0.4
65.54118	0.3
67.05495	4.4
69.03414	15.5
69.07065	1.7
71.04975	0.9
73.02896	0.7
75.04466	0.7
78.43894	0.4
79.05470	5.3
81.03408	3.0
81.07036	8.0
83.04961	1.8
83.08585	0.9
85.02888	22.4
85.06532	1.1
87.04456	6.1
91.03915	0.6
91.05457	3.9
92.08704	0.9
93.07014	6.0
95.04945	1.9
95.08578	7.3
97.02876	8.9
97.06519	2.5
97.10105	0.5
99.04460	0.7
104.26924	0.4
105.07017	10.3
107.08578	15.3
109.02850	1.7
109.06503	1.6
109.10142	9.9
110.10480	0.5
111.08067	7.3
115.03906	4.1
116.80721	0.5
117.06982	2.1
119.04900	0.5
119.08556	7.0
121.06496	2.9
121.10124	7.2
123.08031	1.5
123.11706	0.6
127.03886	4.1
129.06921	0.7
131.08554	5.5
133.04909	2.1
133.06465	6.1
133.10101	6.5
135.08046	1.0
135.11653	4.3
135.49727	0.4
137.05960	5.1
137.09599	3.9
143.08580	3.3
145.02853	0.6
145.04971	1.9
145.06412	0.8
145.10126	6.4
147.04375	1.6
147.08022	4.9
147.11673	4.8
149.09573	1.7
149.13263	0.5
151.07564	0.5
155.08537	1.7
157.10112	3.6
159.07970	0.8
159.11664	7.3
160.08809	2.9
161.09592	4.7
161.13229	5.7
163.03938	0.6
163.11179	3.3
165.09079	2.0
169.10057	0.9
171.11649	4.1
173.13216	3.2
175.07442	1.8
175.11124	0.7
177.05408	1.5
177.12749	2.7
181.10130	0.8
183.11636	0.9
185.13191	1.6
187.11285	0.6
187.14792	6.0
189.12711	71.6
190.09499	0.7
191.14204	2.3
195.11685	0.8
197.13232	0.8
199.14816	1.7
201.12796	0.6
201.16333	0.7
203.14314	4.2
205.15875	3.4
207.13777	42.2
213.16348	5.1
215.14262	1.8
215.17929	1.7
217.15874	0.6
219.10089	2.9
219.13707	0.8
220.10529	1.6
220.65489	0.4
221.15379	3.5
223.14772	1.8
231.08504	0.6
233.15338	0.6
241.15811	2.5
251.17894	1.0
253.19475	4.9
255.20972	0.6
259.16904	8.6
271.20560	1.7
279.20966	6.3
297.22028	12.6
299.12756	0.8
315.19388	0.5
315.23120	19.7
333.24179	100.0
334.24677	1.4
460.31921	0.4
475.99982	0.5
495.29556	0.6
552.40729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29076	0.9
54.82121	1.1
55.01855	1.2
55.05493	7.6
57.03423	7.1
57.07063	1.9
59.04992	1.6
61.43842	1.0
65.57304	1.3
67.05496	11.6
69.03415	20.6
69.07047	7.3
70.53260	1.0
70.94435	1.1
71.04979	5.2
75.04481	1.1
75.86378	1.0
77.51197	1.1
79.05474	8.5
81.06593	1.9
81.07034	37.8
83.04984	2.5
83.08602	5.4
85.02882	15.9
85.06517	5.0
87.04449	12.8
91.05460	13.5
91.87044	1.1
92.08967	3.5
93.07015	20.8
95.04934	5.1
95.08585	26.8
97.02875	11.8
97.06482	5.4
97.10096	1.7
99.04352	1.6
105.07018	20.0
107.04916	1.7
107.08573	19.1
109.02835	1.6
109.06488	5.0
109.10143	21.8
110.10482	1.3
111.08072	2.0
113.06001	5.7
115.03893	9.7
117.06995	6.1
119.08563	26.4
121.06487	5.9
121.10116	10.2
123.08038	4.9
123.11657	2.6
125.09590	1.6
129.06937	2.2
131.08536	13.7
133.04948	7.4
133.10107	15.5
135.07983	1.2
135.11649	10.0
137.05952	1.3
137.09575	13.4
137.13243	1.7
141.06949	1.5
142.07770	1.5
143.08548	13.7
145.04942	1.2
145.10097	46.9
147.04323	1.1
147.08058	1.9
147.11653	15.3
148.28322	1.1
149.05937	1.6
149.09518	1.2
149.13214	2.1
151.11147	2.1
155.08571	5.0
157.10120	18.1
159.11659	23.5
161.12074	1.1
161.13185	8.9
167.07056	1.5
167.08481	1.4
169.10072	11.3
171.11658	19.2
173.09532	1.5
173.13205	15.2
175.11177	4.2
175.14790	5.0
177.12682	1.3
181.10036	1.9
182.10820	1.6
183.11656	9.4
185.13210	10.1
187.11104	1.5
187.14758	6.5
189.12752	4.8
193.10159	1.1
195.11678	5.8
197.13210	17.2
199.14789	13.1
201.16454	1.6
209.07983	1.4
209.13168	9.2
211.14713	8.1
213.16350	5.7
215.14287	2.0
223.14764	13.1
225.16341	2.0
227.17896	2.2
231.17365	1.8
235.14816	2.0
237.16316	10.5
239.17863	9.3
241.15788	1.4
250.17010	2.5
251.17876	1.3
253.19464	7.5
254.20200	1.8
255.17346	2.3
255.20981	15.6
264.18558	1.6
269.22559	5.4
271.20251	1.4
279.21014	39.4
297.22052	80.5
315.23135	73.1
333.24164	100.0
548.95233	1.2
627.35138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
54.81629	1.1
55.05498	5.1
57.03426	33.2
59.04972	4.9
61.02902	6.7
61.25699	0.9
67.05492	9.7
69.03410	100.0
69.07052	2.6
70.06569	2.2
71.04961	2.8
73.02896	2.6
75.04458	5.1
79.05450	10.0
81.03413	10.3
81.07029	20.3
83.04955	5.6
83.08610	2.6
85.02884	94.2
85.06525	1.6
86.09691	1.4
87.04443	56.3
89.10706	1.1
91.05483	9.3
92.92068	1.3
93.07021	16.5
95.04980	2.1
95.08585	16.3
97.02861	85.1
99.04418	5.4
101.06003	4.8
103.03902	2.9
105.07020	13.4
107.08561	16.1
109.02831	5.1
109.06501	1.9
109.10142	11.3
111.04411	5.2
115.03906	57.1
117.07006	6.7
119.08566	13.1
121.06458	1.8
121.10092	11.2
127.03910	15.0
129.06972	5.5
131.08524	15.2
133.04933	50.8
133.10097	22.0
135.08037	5.1
135.11671	9.0
136.96938	1.3
137.05937	1.5
139.03879	1.5
141.06943	1.5
142.07758	1.4
143.08543	11.0
145.02864	2.0
145.04958	12.7
145.10104	23.4
147.11676	10.1
149.13231	5.1
151.11172	10.9
153.09138	1.3
155.08508	2.8
157.10106	10.9
159.11676	19.9
161.13216	10.9
163.06013	2.4
163.11171	9.3
167.08488	1.7
169.04904	2.7
169.10117	7.2
171.11667	7.9
173.13222	6.5
175.14798	2.3
177.05420	2.1
181.10068	5.0
183.11626	8.3
185.13214	9.0
187.11137	6.0
187.14728	6.1
189.12698	1.9
195.11584	5.5
197.13203	5.7
199.14827	6.8
201.16368	1.3
209.13225	5.3
211.14697	1.9
213.16418	2.6
215.14415	1.8
215.17819	2.1
223.14742	8.1
225.16269	1.3
227.17931	5.7
229.07127	1.4
237.16278	2.7
239.17905	7.8
241.07014	2.5
241.15596	1.4
241.19475	2.7
247.81329	1.2
251.17885	6.1
253.19487	5.8
255.20966	14.2
257.18927	1.4
259.08014	4.4
267.21051	6.0
269.22601	8.5
273.22156	1.9
277.09100	2.6
279.20972	35.6
285.22043	5.1
295.10229	4.6
297.22049	51.8
315.12634	1.3
315.23099	59.3
333.24130	49.0
353.75812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.5
54.82136	1.0
55.05501	9.6
57.03172	1.6
57.03430	33.1
57.07062	1.3
59.04985	6.9
61.02905	4.6
67.05492	16.6
69.03414	100.0
69.07042	8.9
71.04983	4.5
73.02894	1.0
75.04456	6.7
79.05471	12.0
79.55990	1.2
81.03389	6.2
81.07039	40.1
83.04972	2.6
83.08602	6.5
85.02886	83.0
85.06549	7.7
87.04449	52.2
91.05454	11.9
92.09143	7.0
93.07023	21.2
95.04948	4.5
95.08582	26.1
96.08931	1.0
97.02251	2.4
97.02869	61.5
97.06509	4.7
97.10165	2.1
99.04444	2.4
105.07017	28.3
107.08566	17.1
109.02876	3.7
109.06505	6.0
109.10129	20.5
111.04420	1.7
111.08084	2.2
113.05972	2.3
115.03908	42.0
117.06993	6.8
119.08549	22.8
121.06509	5.4
121.10130	10.5
123.08041	5.2
123.11690	4.9
127.03918	10.5
127.07499	1.5
128.06229	1.4
129.06973	4.1
131.08533	19.9
133.04924	32.3
133.10080	12.6
135.08043	5.5
135.11687	8.5
137.01202	1.0
137.06006	1.3
137.09587	9.9
137.13211	1.0
139.03993	1.3
141.06982	1.6
142.07825	1.9
143.08560	12.7
145.04948	6.2
145.06372	1.5
145.10101	34.2
147.08043	1.7
147.11681	16.9
149.09634	4.2
149.13203	1.6
151.07553	5.7
151.11200	4.0
153.09073	2.3
153.12651	1.3
155.08557	8.2
156.09247	1.2
157.10074	22.3
159.11658	18.8
161.09584	2.6
161.13234	10.6
163.14821	1.5
165.12732	1.3
167.07040	2.3
167.08533	1.5
168.09239	1.0
169.08798	1.2
169.10045	11.0
171.11667	12.2
173.09560	1.7
173.13185	11.4
175.10992	1.4
175.14745	2.1
181.04962	1.3
181.10103	2.6
181.34508	1.1
183.11617	10.1
185.13148	11.0
187.11198	2.2
187.14815	5.4
189.12788	4.3
193.10094	1.3
195.11664	7.1
196.12483	1.2
197.13197	12.7
199.14835	10.0
201.12723	2.3
201.16438	1.3
203.14307	2.5
209.07930	1.1
209.13225	5.6
211.14836	8.6
213.12791	1.2
213.16368	12.2
215.14355	1.8
215.17891	4.7
223.14763	11.4
225.16328	1.9
231.17461	5.2
235.14743	1.4
237.16357	7.5
239.17848	8.7
241.15881	1.7
251.17990	2.1
253.19400	9.7
254.20357	2.0
255.17259	4.1
255.21007	7.7
264.18649	1.5
269.18912	1.7
269.22491	2.3
279.21021	32.2
279.23926	1.9
297.22040	70.7
315.23111	63.0
333.24146	39.0
357.24094	1.3
371.22928	1.2
414.98611	1.3
459.27411	2.1
477.28201	7.5
495.29401	18.4
627.33759	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
55.05499	4.5
57.03431	10.8
57.07059	1.3
59.04987	1.4
61.02905	1.8
61.72013	0.7
67.05490	9.6
69.03413	33.8
69.07062	7.7
69.63345	0.8
71.04977	3.1
73.02899	1.1
75.04481	0.8
79.05482	7.2
81.03394	4.9
81.07040	16.7
83.04968	9.6
83.08598	2.0
83.11400	0.8
85.02890	37.7
85.06512	0.8
87.04458	15.4
88.21864	0.7
91.05460	8.5
93.07017	15.8
95.08580	34.5
96.08865	0.9
97.02870	26.4
97.06506	35.3
99.04406	1.0
105.07012	14.4
107.08569	13.5
109.02854	3.5
109.06497	41.3
109.10140	8.6
110.06862	1.1
111.08061	1.2
115.03912	15.2
117.06971	4.4
119.08556	15.8
121.06477	5.3
121.10119	19.5
123.08038	27.4
123.11691	4.4
127.03913	6.5
128.82898	1.0
129.05467	0.8
129.06976	3.7
130.07875	0.8
131.08530	14.3
133.04916	12.3
133.06476	1.7
133.10097	16.0
135.07997	1.5
135.11659	7.1
137.09599	1.3
142.07733	0.8
143.07578	0.9
143.08530	8.9
145.04985	6.5
145.10086	16.9
147.08017	1.9
147.11687	14.5
149.09546	7.3
149.13255	5.0
155.08534	4.0
156.09186	1.1
157.10066	10.5
159.08032	1.1
159.11638	13.6
161.09569	6.5
161.13191	8.8
163.11166	3.5
163.14796	2.0
164.23645	1.0
169.10037	6.1
171.11644	10.5
173.09583	6.2
173.13214	21.6
174.13606	1.2
175.11180	5.4
175.14839	7.9
177.12732	5.2
181.10030	1.7
183.11649	6.8
185.13222	10.2
187.11131	1.6
187.14798	5.2
189.12738	2.0
189.16307	1.8
195.11705	3.8
197.13277	5.0
199.11127	1.0
199.14764	6.3
201.12747	6.4
201.16353	6.6
203.14287	4.5
209.13211	4.1
210.13617	1.0
211.14821	3.9
213.16341	5.9
215.14366	2.0
215.17839	1.1
217.15816	1.6
223.14813	5.1
225.16508	0.9
227.14301	1.7
237.16354	3.5
239.17903	5.1
249.16182	1.6
251.17853	3.8
253.19421	8.9
255.17346	0.9
255.21054	3.9
264.18668	1.6
269.18823	3.7
271.20496	11.3
272.20630	1.1
277.09134	1.0
279.20963	21.0
280.21375	1.4
281.22559	1.7
295.20605	3.4
297.22083	73.8
298.22324	7.5
299.23621	14.0
315.23114	100.0
316.23483	11.5
332.81567	0.9
333.24130	5.7
459.27429	1.8
477.28381	21.6
478.28662	5.0
495.29425	3.4
634.69061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01841	0.3
56.05021	0.2
57.03412	1.1
61.02901	1.1
68.99770	0.3
69.03402	3.0
71.04966	1.1
73.02897	0.3
74.06068	1.0
81.03397	1.7
81.77608	0.2
85.02887	8.2
87.04438	0.6
97.02860	3.2
101.78722	0.2
109.02859	1.6
111.00764	1.0
111.89013	0.3
117.06956	0.3
121.02831	1.3
125.81826	0.2
127.03887	1.4
137.02325	5.3
137.05956	0.5
145.04921	0.4
149.02299	0.5
153.01794	3.7
161.05840	0.3
163.03860	0.4
165.01782	2.1
167.07019	1.9
172.66461	0.3
183.02899	0.5
201.05417	1.5
219.06491	0.3
228.04099	0.5
229.04918	5.4
247.05954	1.3
257.04413	3.8
274.04611	1.1
285.03873	1.4
301.03461	0.4
301.09293	0.2
303.04922	100.0
304.05289	0.5
445.72769	0.3
465.10202	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	626.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45129	0.4
55.01864	1.0
55.05504	4.4
57.03431	6.9
59.04990	8.8
64.33613	0.6
67.05488	6.9
68.99407	0.4
69.03416	10.6
69.07060	3.7
71.04974	3.4
71.27007	0.5
73.02946	0.5
77.06005	0.7
79.05481	7.3
81.03412	1.2
81.07032	13.4
83.04965	5.2
83.08615	1.3
85.02112	0.5
85.02891	35.0
85.06528	9.6
87.04450	100.0
91.05442	6.0
92.08609	0.9
93.07020	10.4
95.04951	5.1
95.08589	11.8
97.02882	4.4
97.06519	5.4
99.04452	2.4
105.03348	3.7
105.07021	14.7
107.04913	0.6
107.08585	11.6
109.06491	8.1
109.10130	3.9
111.04437	3.1
111.08068	0.7
113.05968	4.5
115.03915	2.6
115.05417	0.7
117.05495	0.5
117.07002	5.1
119.08553	8.0
121.06460	2.8
121.10136	7.5
123.04398	0.9
123.08025	5.9
123.11674	1.0
125.05975	12.5
127.03918	2.7
129.05464	3.4
129.06987	4.8
131.04924	0.5
131.08533	8.9
133.04964	1.1
133.06442	0.8
133.10092	7.6
135.08063	0.9
135.11681	3.2
137.05917	1.0
137.09633	0.9
141.06973	2.3
142.07771	0.8
143.07008	2.1
143.08521	7.2
145.04996	0.8
145.06480	0.6
145.10109	10.7
147.08018	1.2
147.11673	7.8
149.06009	0.8
149.09570	1.2
149.13268	1.3
153.05426	6.4
153.06970	0.5
155.08499	4.0
157.10101	8.2
159.08046	0.9
159.11665	8.6
161.05930	0.6
161.09618	1.2
161.13252	3.7
163.11104	0.7
164.42537	0.5
165.05443	8.7
166.07806	0.7
167.07129	0.7
167.08560	2.1
168.09361	1.1
169.10106	4.7
171.08011	0.7
171.11647	8.0
173.09605	2.2
173.13220	6.3
175.07507	0.9
175.11197	2.4
175.14815	2.1
177.12755	0.7
179.08545	0.9
180.09427	0.7
181.10077	3.3
183.11650	5.6
184.12302	0.5
185.13184	7.0
187.11078	0.7
187.14745	3.8
189.12718	1.1
189.16380	3.2
193.10110	2.5
195.11664	3.5
197.09616	1.0
197.13268	3.0
199.11186	0.7
199.14807	4.3
201.00769	0.7
201.09065	0.5
201.12662	1.1
201.16351	1.2
203.07011	1.2
203.10622	0.6
203.14467	1.7
207.11713	3.1
209.09685	0.9
209.13287	2.7
211.11322	1.2
211.14761	1.2
213.12798	0.7
213.16359	2.6
215.10616	0.8
219.11656	0.9
223.14758	2.6
225.09093	2.0
225.16418	1.2
227.10657	4.5
227.17896	14.7
229.12149	0.8
229.15990	0.7
233.13336	2.1
235.14781	2.4
237.16402	0.9
239.17833	0.7
241.12198	0.6
241.15965	0.6
247.14754	0.9
249.12663	0.8
249.16406	1.2
251.17793	2.0
253.12199	1.2
253.19508	2.1
265.12091	0.6
269.16040	0.6
269.18863	1.3
271.20660	1.1
275.17783	1.1
279.13538	0.7
279.20905	5.6
283.26486	0.5
289.19376	2.1
293.18765	1.2
295.20505	1.1
297.22012	15.0
299.23672	0.8
307.20596	4.1
309.22217	0.8
315.23129	21.5
317.18979	2.0
325.21664	3.0
335.19989	17.1
353.21042	59.5
354.21332	1.1
369.20798	0.8
371.22107	40.2
413.23230	9.4
427.98215	0.6
431.24353	7.1
477.28656	6.0
531.29333	3.4
591.31494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90215	0.8
53.00294	2.0
53.03946	1.1
55.01866	2.1
55.05494	3.7
57.03426	29.9
57.07064	1.1
57.16337	0.8
59.04982	6.8
60.04500	1.3
61.02913	2.5
65.03897	0.9
67.05489	8.4
69.03414	100.0
69.07063	2.3
71.04972	6.1
73.02903	1.7
75.04464	7.2
78.46504	1.0
79.05491	2.2
81.03403	6.1
81.07027	9.6
83.04979	1.4
83.08609	6.1
85.02887	94.5
85.06525	15.6
87.04449	50.5
91.05466	7.3
92.09099	1.6
93.07026	7.5
95.04964	7.9
95.08576	10.8
97.02869	71.5
97.06513	2.0
97.10138	1.2
98.97577	4.6
99.04408	4.2
103.03925	1.9
103.27141	1.1
105.07007	9.2
107.08590	7.5
109.02870	6.3
109.10143	6.5
109.45293	1.0
111.04427	2.5
113.05994	14.0
114.06326	1.5
114.37481	1.3
115.03904	62.4
117.07015	4.7
119.08537	7.3
121.06496	1.7
121.10139	4.7
123.08024	1.2
123.11614	1.3
125.23045	1.0
127.03904	12.3
129.05434	1.1
129.06966	1.9
130.07718	1.2
131.08534	8.2
133.03941	2.1
133.04933	51.2
133.10083	7.0
135.11700	1.2
139.03925	1.4
142.07776	1.3
143.08514	9.1
145.04909	11.8
145.08658	2.0
145.10103	12.2
146.99615	1.6
147.11673	7.4
149.13210	1.1
150.07607	5.8
153.39511	1.0
155.08597	4.3
157.10107	15.0
159.11668	14.1
161.13225	2.5
163.05911	1.5
165.09021	8.5
169.04939	1.2
169.10129	6.7
171.11604	9.8
171.90881	1.1
173.13287	2.4
175.14799	4.5
181.05023	1.2
181.09949	1.3
183.11678	4.4
185.13248	8.1
187.02759	1.1
187.10962	1.1
189.12714	1.9
195.11714	1.5
197.13281	6.5
199.14865	2.1
201.16383	4.6
207.11478	1.0
209.13255	1.6
211.14804	4.2
213.16431	4.3
215.14273	13.6
219.01747	4.3
223.14809	5.1
227.17981	2.1
229.15805	1.3
237.02783	11.0
237.16289	3.7
238.03195	1.3
239.17940	6.6
241.07120	1.3
241.15753	3.9
251.17847	1.3
253.19446	26.6
255.17326	1.3
255.21167	1.1
259.08127	2.3
279.20981	12.6
287.04407	1.3
295.10129	4.0
295.20819	1.8
297.22070	52.5
313.21625	2.2
315.23120	27.8
334.87112	1.3
339.23395	1.5
373.23901	1.3
379.19534	1.1
387.43613	1.0
389.23227	5.1
390.23419	1.9
429.26190	1.9
553.27478	2.0
553.77710	7.9
554.27362	1.7
555.28845	4.5
620.22583	1.2
625.81244	5.2
626.31165	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	626.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92736	0.2
55.01843	0.3
55.05468	0.3
57.03422	4.0
58.51664	0.2
59.04970	0.3
64.33728	0.2
68.99776	1.8
69.03391	0.5
71.04976	24.8
73.02868	1.0
75.04446	0.6
81.03337	0.3
81.07029	0.3
83.04965	2.5
84.45597	0.2
85.02889	24.4
87.04422	0.4
91.05434	0.2
97.02836	1.2
99.04393	0.4
103.05439	0.3
109.02828	0.4
111.04385	0.4
114.25230	0.2
115.05460	0.3
121.06471	0.6
127.03841	1.0
129.05444	5.1
133.06511	0.9
135.08060	0.3
137.02290	0.4
142.06158	0.3
143.04878	0.3
147.04372	0.6
147.06462	1.6
153.01785	1.2
161.05916	1.6
171.04305	0.6
175.03902	0.4
189.05428	4.5
190.08395	0.3
194.14102	0.3
199.03844	0.6
200.09419	0.4
203.03366	1.1
217.04922	23.6
227.03331	1.7
229.13292	1.4
231.02887	0.6
245.04395	28.3
255.02931	1.6
273.03879	53.6
274.04160	0.4
275.14001	0.5
276.46310	0.3
301.03372	100.0
302.03705	1.2
303.04993	1.5
613.79608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13533	0.6
55.05496	3.5
57.03421	10.0
59.04982	1.2
65.03947	0.6
67.05490	6.7
69.03059	1.3
69.03411	19.9
69.07041	3.6
71.04955	1.0
75.04462	1.4
79.05465	5.0
81.07037	15.5
83.04958	3.4
83.08607	0.9
85.02886	15.0
85.06515	1.3
87.04453	14.4
91.05437	6.2
92.09266	0.7
93.07022	11.5
95.04934	2.5
95.08582	17.5
97.02865	14.9
97.06509	12.0
101.82777	0.6
105.07007	14.8
107.04939	1.6
107.08579	9.1
109.05805	1.3
109.06498	21.7
109.10133	11.4
111.08056	1.1
115.03895	10.5
117.06996	3.4
119.08553	23.6
119.52095	0.7
121.06454	5.0
121.10097	5.1
123.08042	10.0
123.11675	3.8
127.03866	1.0
127.79875	0.6
128.06139	0.9
129.06982	1.6
130.07744	0.8
131.08533	8.7
133.04936	8.6
133.06479	1.1
133.10100	24.5
135.07965	5.0
135.11630	6.7
137.05901	1.3
137.09589	5.0
141.06920	1.0
142.07758	0.7
143.08537	7.0
145.10098	14.2
147.08028	4.1
147.11652	7.1
149.09558	4.4
149.13263	1.4
155.08522	3.1
156.09319	4.5
157.10104	8.5
159.11635	9.9
161.09622	7.6
161.13243	4.9
163.11124	3.4
163.14809	0.9
165.09097	3.6
169.10089	5.7
171.11655	35.7
173.09581	3.3
173.13213	8.2
175.11122	3.8
175.14751	5.1
177.05464	0.7
177.12758	4.1
181.10083	1.6
183.11659	6.5
185.13232	6.6
187.11189	1.1
187.14816	2.4
189.12688	6.4
191.14392	0.7
193.10077	1.0
195.11646	4.4
197.13223	6.4
199.11125	1.2
199.14763	3.2
201.12721	2.7
202.33989	0.6
207.11667	1.6
209.13232	2.9
211.11060	1.2
211.14815	4.4
213.12755	1.2
213.16360	3.5
215.14189	2.8
217.15796	2.6
221.13124	3.0
223.14795	0.9
225.12755	3.0
225.16301	1.3
227.14159	1.3
227.17964	0.8
235.14685	1.4
237.16304	5.9
239.14165	1.0
239.17897	0.9
249.16425	1.1
251.17900	4.0
252.18341	1.0
253.19446	12.2
255.17374	5.4
257.18915	2.6
267.20978	0.8
269.18896	4.6
271.20505	8.7
277.19318	9.2
278.22205	0.9
280.18170	1.5
295.20490	38.5
313.21539	100.0
314.21906	2.9
331.22601	73.2
332.23129	0.8
453.60495	0.7
520.61292	0.7
625.31836	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	625.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.6
53.03917	1.5
55.01862	1.9
55.05502	2.4
57.03425	7.5
57.43024	0.3
59.04969	1.8
61.02904	1.8
67.05494	4.5
69.03416	23.5
69.07052	3.0
70.74422	0.3
71.04977	1.6
75.04432	0.7
79.05472	4.5
81.03381	3.3
81.07037	10.9
83.04972	6.5
83.08611	0.9
85.02889	30.1
85.06520	1.5
87.04446	10.1
91.03922	0.4
91.05475	4.9
93.07021	7.9
95.04932	1.8
95.08574	7.0
95.13013	0.4
97.02251	0.7
97.02873	17.5
97.06506	9.5
99.04438	1.6
105.07014	8.1
107.04933	4.3
107.08582	8.0
108.35195	0.5
109.02846	1.7
109.06506	2.8
109.10149	7.7
111.08063	0.7
115.03912	7.6
117.06972	3.2
119.08554	5.5
121.06474	9.5
121.10123	3.5
123.08038	2.3
123.11745	0.5
127.03889	4.0
128.06134	0.8
129.06969	2.4
131.07600	0.7
131.08536	9.8
133.04944	4.7
133.10098	22.5
135.08017	1.9
135.11685	3.2
137.09584	2.1
141.06976	2.1
141.62842	0.4
142.07794	0.9
143.08530	9.5
144.09325	0.7
145.04967	3.1
145.10104	12.8
147.08008	3.4
147.11684	5.5
149.09608	1.7
149.13190	0.8
153.06931	0.7
155.08530	8.9
156.09296	0.5
157.10072	6.1
159.08008	2.9
159.11662	13.3
161.09602	5.5
161.13228	2.3
163.11089	0.5
165.06963	0.7
165.09164	0.6
167.07121	0.6
167.08557	1.8
168.09286	0.6
169.10104	7.7
171.07980	1.9
171.11641	5.8
173.09590	13.9
173.13242	5.7
175.11160	2.7
177.12700	4.0
178.07730	0.5
179.08557	1.6
180.09331	0.7
181.10048	3.8
183.11685	6.6
185.09579	0.8
185.13232	4.1
187.11174	2.3
187.14743	3.0
189.12669	0.9
191.14415	0.5
192.09308	1.8
193.10080	4.3
194.10912	0.5
195.07896	0.4
195.11636	8.2
196.12416	2.6
197.09592	0.6
197.13168	3.6
198.10341	0.4
199.11121	3.2
199.14717	2.9
201.12660	1.7
203.14420	0.4
205.12367	0.5
206.10846	0.7
207.11641	6.0
208.12450	4.3
209.13193	6.0
210.10374	1.6
210.14079	0.5
211.11235	2.8
211.14781	30.3
212.11934	0.6
212.15205	0.5
213.12666	2.3
213.16208	0.7
215.14230	0.7
219.13730	0.9
220.12430	0.4
221.13246	3.3
222.14024	3.4
223.14795	1.6
224.11971	0.6
225.12714	6.3
225.16347	2.7
227.14301	0.7
233.13210	0.9
235.14772	1.9
236.15576	0.5
237.12726	0.6
237.16335	21.3
239.14294	3.6
248.15558	0.5
249.16440	0.8
251.14197	0.8
251.17880	9.6
253.15797	0.8
253.19525	2.1
254.16620	2.2
255.17346	13.2
267.17279	0.6
269.18933	38.5
277.19495	4.2
280.18234	0.7
295.20505	43.5
296.20728	0.4
297.22012	0.7
313.21555	36.4
329.20795	0.5
331.22607	100.0
332.22943	0.7
385.54773	0.4
401.89990	0.5
407.29996	0.5
456.62338	0.5
475.26675	3.6
493.27927	15.3
606.51672	0.6
625.32239	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.7
53.03936	1.5
55.01860	1.0
55.05497	1.7
56.31815	0.4
57.03429	18.0
59.04987	2.8
61.02906	3.3
64.48721	0.3
66.07475	0.3
67.05495	5.0
67.53653	0.4
69.03416	54.7
69.07040	2.2
71.01337	0.5
71.04970	1.8
73.02892	1.6
75.04462	3.0
79.05473	5.3
81.03397	3.3
81.07041	9.1
83.04966	4.3
83.08559	0.4
85.02889	57.2
85.06513	0.7
87.04449	24.7
91.03904	0.9
91.05460	5.0
91.54202	0.4
92.08701	0.9
92.09251	0.8
93.07025	10.4
95.04937	2.2
95.08581	9.3
97.02872	34.3
97.06505	12.3
99.04436	2.3
100.74466	0.4
105.07013	10.0
106.07265	0.4
107.04938	0.8
107.08572	9.1
107.60165	0.4
109.02870	3.8
109.06496	7.7
109.10137	3.1
111.04417	0.4
111.08031	0.5
115.03138	0.8
115.03909	17.2
117.07005	5.2
119.04945	0.5
119.08542	6.7
121.06492	1.6
121.10130	4.0
123.08048	3.5
123.11623	0.5
125.09651	0.4
127.03891	6.5
129.07001	2.7
131.08540	13.3
132.42296	0.4
133.04941	13.7
133.06499	1.7
133.10109	14.7
135.08020	0.7
135.11684	10.9
137.09616	1.8
142.07739	0.8
143.08563	5.1
145.04956	5.2
145.10103	6.1
147.08009	3.3
147.11681	4.0
149.09596	4.0
149.13223	2.4
155.08530	3.1
156.09351	0.4
157.10106	7.7
159.07997	1.6
159.11662	16.9
161.09602	6.6
161.13307	1.0
163.03874	0.5
163.11157	2.6
165.06963	0.6
167.07043	0.4
167.08524	0.7
169.10091	3.5
171.08060	0.9
171.11687	5.2
173.09575	7.3
173.13239	2.4
175.11145	7.2
177.12727	6.2
181.10071	1.9
183.11661	3.5
185.09671	0.5
185.13229	2.1
187.11201	1.6
187.14709	0.9
189.12669	1.7
193.10078	0.7
195.11662	2.2
195.13716	0.6
197.13266	2.1
197.44629	0.4
199.11160	2.3
199.14789	2.5
201.12727	3.8
203.14336	0.8
207.11621	2.0
209.13275	2.1
211.11087	0.6
211.14778	2.2
213.12737	1.8
213.16356	0.6
217.15877	0.8
223.14618	0.7
225.12740	0.6
225.16315	0.7
227.14319	1.8
229.15881	0.5
235.14883	0.6
237.16254	3.1
239.14241	1.0
241.15807	0.8
251.17859	2.8
253.19470	2.8
255.17429	2.3
269.19022	1.9
271.20517	3.7
273.18500	0.6
277.19403	2.7
283.20514	0.8
295.20471	13.0
313.21555	35.4
330.97971	0.4
331.22614	100.0
332.23010	1.7
355.88852	0.4
448.48209	0.5
463.27029	0.7
493.27878	63.0
494.28241	2.0
625.24280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
53.03923	0.9
55.01866	0.7
55.05500	2.1
55.38642	0.5
57.03428	11.8
59.04978	3.5
61.02900	1.1
65.73335	0.4
67.05492	4.3
69.03413	40.0
69.07047	1.3
71.04961	6.3
71.41383	0.5
73.02892	1.2
75.04453	2.5
79.05458	3.2
81.03374	1.2
81.07042	6.0
85.02886	30.5
85.06525	22.9
87.04448	22.1
91.03956	0.5
91.05449	4.3
93.07031	7.3
94.30380	0.5
95.04925	0.9
95.08570	5.3
97.02870	23.7
97.06541	0.6
98.22979	0.5
99.04416	0.9
105.07018	9.3
107.08573	10.2
109.02863	1.1
109.06503	1.0
109.10130	3.0
111.08057	1.2
113.03225	0.5
115.03904	16.5
117.06974	2.9
119.08551	6.0
121.10167	4.8
123.08009	2.0
123.11639	0.9
124.26604	0.5
125.09621	0.9
127.03876	3.0
128.06210	0.9
129.06966	3.2
131.08542	7.1
133.04932	13.0
133.10126	4.7
135.08043	0.5
135.11679	0.8
137.09575	1.1
141.06999	0.8
142.07732	3.4
143.08510	10.1
145.04950	1.1
145.10104	12.1
147.11674	4.7
149.02299	1.3
155.08525	8.6
157.10091	20.3
159.11682	9.7
161.09595	0.9
161.13202	1.2
165.06944	1.3
166.07707	0.6
167.08522	1.3
169.10083	9.4
171.11617	5.3
173.13216	2.8
175.11157	3.8
179.08522	0.9
180.09297	0.7
181.10016	4.7
182.10846	1.2
183.11621	10.0
185.13239	3.2
187.11137	4.6
189.12759	1.0
192.09392	0.7
193.09966	1.7
194.10773	0.6
195.11649	11.5
196.12450	2.3
197.13226	7.4
199.14638	0.8
201.12698	2.1
206.10805	0.7
207.11594	4.5
208.12408	1.0
209.13251	6.0
210.14026	3.2
211.14774	10.2
213.12767	0.9
215.14302	2.5
219.11635	0.9
220.12465	1.2
221.13193	6.8
222.13985	1.1
223.14795	3.2
225.16345	9.8
229.15787	1.0
233.13228	1.1
234.13835	0.7
235.14728	3.2
236.15474	0.8
237.16281	6.9
239.14262	2.6
243.17487	0.7
247.14807	1.0
248.15521	1.2
249.16330	2.5
251.17899	8.9
252.18648	3.6
253.15860	2.8
253.19418	4.7
262.17056	0.7
267.17209	0.7
269.19122	0.7
271.20462	2.3
277.19458	10.3
280.18152	3.7
293.18964	2.5
295.20490	100.0
296.20743	1.3
297.22205	0.8
311.19946	1.0
313.21564	38.4
314.21954	0.8
331.22617	6.7
427.24380	0.9
475.26550	3.2
493.28006	4.2
612.42346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.176
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.44415	0.2
53.03921	0.3
55.01861	0.3
55.05506	0.3
55.10837	0.2
57.03430	2.8
60.47478	0.2
60.89623	0.2
61.02894	0.8
67.05478	0.3
69.03423	2.0
70.06574	0.3
71.01312	0.2
71.04977	11.3
72.21336	0.2
73.02900	0.4
75.04457	0.8
79.05460	0.4
81.03395	1.1
81.07007	0.2
83.04945	0.4
85.02888	15.5
87.04455	0.4
91.05424	0.2
92.02594	0.5
93.03378	0.8
93.07005	0.4
95.04906	0.7
97.02875	1.8
99.04417	0.4
104.06289	0.2
105.07009	0.8
105.70704	0.2
106.81077	0.2
107.04962	0.3
107.08564	0.2
109.02872	0.5
109.06510	0.4
109.10189	0.2
111.04428	0.8
119.08552	0.3
121.02821	0.8
121.06529	0.3
123.04388	0.3
124.07673	0.2
127.03909	0.5
129.05479	2.1
129.07014	0.3
131.04895	0.2
133.10156	0.3
136.07503	0.2
137.09512	0.3
139.03879	0.9
143.08629	0.2
145.04889	0.5
147.06554	0.3
151.03896	1.1
153.01796	6.8
159.07961	0.2
161.05945	0.5
165.01842	0.4
165.09163	0.3
167.07010	3.0
175.07518	0.9
177.05444	0.4
181.05032	0.3
187.07483	0.4
201.05432	0.7
217.04839	0.3
218.05666	0.4
228.04124	1.0
229.04895	3.5
231.03020	0.3
245.04393	0.7
246.05173	1.4
256.03873	0.2
257.04379	2.6
271.05829	0.2
273.03784	1.5
274.04642	4.8
277.08411	0.2
284.03094	0.3
285.03851	4.6
288.06012	0.2
302.04156	13.6
303.04520	0.2
309.11160	0.8
313.11777	0.4
315.13165	0.3
317.06494	100.0
318.06757	1.3
326.11319	0.4
333.45230	0.3
339.12381	0.3
340.13135	0.3
341.13736	1.1
415.17459	0.4
566.99493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.7
57.07060	1.8
67.05491	7.4
68.94517	1.5
69.07043	7.0
75.73667	1.5
76.91299	1.3
79.05461	7.6
79.10774	1.2
81.07037	21.0
83.08607	2.5
84.80321	1.3
90.18240	1.4
91.05470	2.7
93.07024	18.4
95.04957	2.7
95.08582	36.2
97.10153	5.9
105.07011	10.9
107.08571	28.2
109.10148	19.7
114.36987	1.5
114.49557	1.4
117.07012	7.3
119.08569	21.2
121.10123	21.0
123.04416	24.2
123.11693	10.3
126.73162	1.6
129.06972	3.0
131.08563	9.0
133.10121	11.7
135.11671	15.2
137.13232	9.7
143.08533	8.2
143.81000	1.6
145.10077	15.8
147.04393	1.9
147.11647	10.4
149.13219	8.8
155.08524	2.6
157.10110	15.1
159.11655	11.0
161.13243	11.1
163.14822	8.6
165.05432	6.4
169.10143	8.1
171.11690	9.8
173.13258	7.4
175.04950	1.6
175.14857	8.5
177.16341	6.3
183.11656	6.9
185.13240	6.4
187.14845	6.2
189.16376	7.9
191.17963	1.9
197.13219	6.3
199.14806	6.6
201.16306	10.6
203.17889	6.4
211.14857	2.5
213.16356	6.6
215.17917	11.3
225.16351	3.1
227.17870	2.5
229.19461	3.3
239.17931	6.4
241.19550	5.5
245.15408	2.3
253.19505	8.4
255.21135	3.6
267.21124	3.1
269.22513	1.8
273.18500	1.9
285.18500	3.2
287.20129	2.1
295.24133	10.2
299.20340	4.8
321.25543	3.5
391.33472	24.0
437.34033	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	624.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25874	0.4
53.50097	0.4
55.01860	1.1
55.05492	1.7
57.03415	1.9
61.02896	0.9
62.87535	0.4
65.03942	0.8
65.52527	0.5
67.05493	3.5
67.23527	0.4
69.03070	0.7
69.03415	13.9
69.07054	0.5
71.04962	1.2
73.02866	0.7
79.05460	2.7
81.03378	2.4
81.07032	3.5
83.04951	2.4
85.02888	14.3
85.35413	0.4
86.03825	0.4
87.04429	2.1
91.05460	6.0
93.03385	0.8
93.07025	8.3
95.04939	12.8
95.08587	4.0
96.43800	0.5
97.02865	8.5
97.06480	2.3
99.04395	2.1
105.07010	14.9
107.04890	0.5
107.08570	4.9
109.02848	2.8
109.06495	6.3
109.10129	1.1
111.04443	7.8
111.08060	2.1
113.05962	2.6
115.03899	0.9
115.05421	0.7
117.06984	2.4
119.08555	17.7
121.02826	2.2
121.06474	8.6
121.10114	2.2
123.08043	8.8
127.03905	3.3
129.06947	2.6
130.07750	0.6
131.08546	11.7
133.04846	0.5
133.06482	2.0
133.10086	4.7
134.45456	0.4
135.04333	1.9
135.08018	16.8
137.05887	0.7
137.09584	4.0
139.03871	5.1
139.07515	1.0
141.06953	0.8
142.07741	2.5
143.04895	1.0
143.08516	3.1
144.05635	0.7
144.09325	0.8
145.04942	2.6
145.06433	3.0
145.10097	9.0
147.04408	2.3
147.08038	10.2
147.11656	4.4
149.05975	1.1
149.09601	2.9
151.07449	1.1
153.06941	0.6
155.08525	2.5
156.09286	2.8
157.10103	6.4
158.07227	4.9
158.10753	0.6
159.08015	11.5
159.11646	9.4
160.08751	0.6
161.05975	4.8
161.09587	12.6
161.13179	1.0
163.03870	6.0
163.06046	0.6
163.07495	2.1
163.11136	0.7
165.09074	8.3
165.46173	0.4
166.07768	0.7
168.09273	2.2
169.10054	1.0
171.07935	1.8
171.11671	3.8
172.08780	5.6
173.05930	0.9
173.09584	6.2
173.13190	6.9
175.07509	15.7
175.11111	9.9
177.05420	0.5
177.12659	0.5
181.04976	0.8
181.10072	0.7
183.11688	3.4
185.05939	1.2
185.09521	3.0
185.13321	0.7
186.10384	0.9
187.07472	0.5
187.11128	11.7
189.05453	5.0
189.09038	4.1
189.12724	3.7
189.61037	0.5
193.04849	1.7
193.08560	3.8
193.10106	1.0
196.08765	2.1
199.11145	8.6
201.12683	12.3
203.10617	11.7
205.12245	2.1
207.10045	0.7
211.11174	6.3
213.05411	1.9
215.07045	0.6
217.04831	0.8
217.12148	7.7
219.13773	3.1
229.12190	8.0
231.06529	3.4
235.05913	5.4
235.13191	1.1
247.13222	26.4
259.05856	4.2
265.14279	100.0
266.14664	0.9
277.06992	3.4
295.08148	4.1
336.95154	0.5
409.18448	4.2
427.19467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.82279	0.3
55.01854	1.6
63.38903	0.3
65.03922	1.3
67.05502	0.5
69.03408	1.8
71.04974	0.4
77.03878	0.5
78.04693	0.5
79.05472	11.1
81.03398	0.4
81.07034	11.1
85.02893	0.4
91.05457	24.0
92.08908	0.7
92.92576	0.3
93.03382	0.5
93.07014	0.6
94.04158	3.4
94.06794	0.3
95.04941	8.1
103.05457	1.6
105.03370	4.6
105.04459	0.4
105.06998	1.6
106.04154	2.0
107.04936	7.7
109.06497	58.3
111.04434	0.5
117.06995	0.4
119.04922	5.8
119.05950	0.5
121.06479	3.1
122.03625	1.7
123.04395	5.3
125.05949	1.5
131.04904	1.6
132.05669	0.4
133.02823	16.8
133.06445	0.7
134.03564	0.4
135.04404	4.3
136.05168	0.5
137.05948	100.0
139.07457	0.4
140.04663	0.4
141.09030	0.3
145.02806	0.4
145.06436	1.2
147.04425	0.6
148.05202	0.6
149.05957	4.3
151.07457	0.3
152.04633	0.4
153.05403	2.0
153.09076	1.1
154.06223	2.2
155.07016	1.6
155.08504	0.3
159.04364	0.5
161.05968	2.6
163.03868	3.0
165.05434	61.7
167.05627	0.5
167.06992	11.0
169.08536	0.7
173.05898	0.5
177.05383	3.4
179.07001	0.6
181.08623	1.2
182.05626	0.3
183.06482	1.1
183.07990	0.6
191.06953	1.4
193.08560	1.9
195.06465	1.6
197.08049	96.5
204.02428	0.3
205.08496	0.4
209.06209	0.6
209.08040	5.0
210.06592	0.4
211.07414	0.6
223.09540	0.6
227.07040	0.3
228.07697	0.4
229.04611	0.4
235.09636	1.9
237.05249	0.4
238.98914	0.3
241.04846	0.3
267.06534	0.4
317.13715	1.3
319.11597	1.1
329.13708	1.2
330.83664	0.3
331.11682	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	624.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01867	1.5
56.80886	0.2
57.03426	0.3
59.04985	0.5
65.03926	1.8
67.05479	1.2
69.03414	3.0
69.07067	0.4
70.06557	0.4
71.04968	0.4
71.81042	0.3
72.55639	0.3
76.56091	0.3
77.03913	0.6
79.05474	10.2
81.03409	1.2
81.07039	12.0
81.17453	0.3
82.23296	0.3
83.04968	0.5
83.30978	0.2
84.04517	0.4
84.79914	0.3
85.02883	2.9
85.06542	0.5
86.09708	0.4
86.90924	0.3
87.04430	0.4
89.69561	0.3
91.05459	22.2
92.91141	0.3
92.91663	0.3
93.03403	0.4
93.07018	1.6
94.04159	2.9
94.04646	0.2
94.06538	0.6
95.04943	8.6
95.08583	0.6
97.02856	1.6
97.32299	0.3
103.00842	0.3
103.05429	2.1
105.03367	4.4
105.04483	0.6
105.06993	2.5
106.04140	2.1
106.55287	0.3
107.04935	10.9
107.08570	0.5
109.02880	0.4
109.06499	58.7
109.10128	0.5
109.29993	0.3
109.38688	0.3
111.04385	0.5
115.05434	0.3
117.06966	0.4
119.04915	5.5
119.05753	0.4
119.08525	0.5
121.06487	3.0
121.10085	0.6
122.03621	1.9
123.04401	5.9
123.08029	0.6
124.05142	0.3
124.07576	0.6
125.05969	1.3
127.03894	0.4
129.07037	0.3
131.04906	2.4
131.08560	0.5
133.02831	17.1
133.06473	1.4
133.10130	0.4
135.04382	5.1
136.07536	3.0
137.05952	100.0
138.06290	0.5
139.03905	0.6
140.04672	0.4
145.02838	1.4
145.06418	0.7
145.10054	0.7
147.04404	1.9
149.05945	6.0
151.07524	0.7
153.05455	1.6
154.06250	2.2
154.08615	1.8
155.07030	1.2
157.06563	0.3
157.10146	0.3
159.04341	0.5
159.11667	0.4
161.05916	2.2
163.03896	3.1
163.07494	0.5
165.05438	54.0
167.07001	15.5
167.08218	0.4
168.05676	0.4
169.08534	0.6
171.74382	0.3
173.05928	0.6
173.13295	0.3
175.07510	0.6
177.05438	3.7
179.07028	0.6
181.06471	1.2
181.08548	1.2
183.06516	1.5
183.08006	0.7
189.08969	0.5
191.06967	1.8
193.06956	0.3
193.08592	2.4
195.06476	1.2
197.08055	88.9
198.06657	0.3
205.08560	0.6
207.06541	0.4
209.06134	0.7
209.08018	5.4
211.07515	1.5
213.08972	0.3
219.10094	0.7
223.09576	1.9
225.08992	0.5
227.07176	0.5
235.09593	2.0
238.06337	0.5
240.55859	0.3
245.05022	0.6
253.08430	0.4
253.10739	0.4
256.07162	0.3
271.09619	0.5
299.09293	0.4
314.11856	0.4
316.12915	0.4
317.13858	1.2
329.13846	0.7
331.11713	18.8
332.13104	0.4
349.13467	0.5
623.26434	1.7
624.27075	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	624.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.0
57.03415	11.9
61.02884	3.5
69.03422	40.5
71.35153	2.4
73.02893	10.9
85.02409	4.3
85.02887	61.8
87.04440	15.9
93.76066	2.6
97.02872	27.9
111.04420	14.6
115.03880	10.7
127.03894	3.2
129.06961	4.3
131.04858	4.7
133.04959	3.4
135.04388	43.1
135.91658	2.8
139.03885	74.9
141.06924	3.8
143.04893	14.6
147.04350	12.9
149.05916	3.4
155.03339	3.3
157.06464	21.2
161.05959	36.0
163.03873	100.0
167.04922	3.1
169.06447	4.5
171.04337	3.1
173.05899	6.1
173.23813	2.9
175.03850	11.3
175.07491	11.6
177.05402	19.5
181.04922	55.6
185.05972	30.4
187.03848	13.9
187.07510	3.3
189.05428	45.7
191.03378	4.2
193.04886	15.9
200.04623	4.4
201.05469	6.6
203.07004	17.3
205.04915	18.8
213.05435	82.7
215.07025	27.9
217.04919	17.9
231.06499	89.0
235.05969	14.6
241.04904	11.1
247.06136	5.3
249.07574	3.7
259.05957	94.9
265.06940	22.3
277.07004	64.9
295.08063	61.7
313.09088	27.7
457.13235	4.5
464.27200	2.7
521.55011	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	623.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	0.5
53.03926	0.3
55.01826	1.2
55.05495	3.2
57.03427	11.8
57.07034	0.3
58.55735	0.2
59.04945	1.6
61.02880	0.5
67.05486	5.8
67.16547	0.2
69.03411	26.5
69.07043	4.1
70.13567	0.2
71.04939	1.2
73.02869	0.5
75.04447	2.0
77.03912	0.3
79.05470	5.4
81.03357	1.1
81.07034	15.3
83.04961	1.8
83.08606	2.0
85.02885	18.3
85.06481	1.4
85.37667	0.2
87.04446	16.1
91.05454	6.1
92.08936	0.5
93.07011	7.4
95.04932	1.8
95.08581	11.7
97.02866	20.3
97.05975	0.3
97.06496	4.5
97.10100	0.6
99.04405	0.6
99.08048	0.4
101.02346	0.5
103.03887	0.4
105.07010	14.7
107.04885	1.3
107.08571	7.8
109.02836	0.5
109.06489	3.5
109.10133	8.4
111.04393	0.3
111.08034	1.0
113.09584	0.6
115.03902	13.7
115.05366	1.1
116.06185	0.5
117.06998	3.2
119.08553	22.1
121.02798	0.4
121.06477	2.1
121.10114	3.6
123.08013	2.4
123.11671	2.6
125.09569	0.4
127.03836	1.7
128.06178	2.6
129.06993	2.9
130.07719	0.5
131.04919	0.3
131.08537	16.4
133.04939	10.5
133.06429	1.8
133.10095	21.1
134.92470	0.3
135.08023	16.8
135.11620	2.1
137.05878	0.4
137.09590	8.4
138.09157	0.3
139.03781	0.3
141.06931	1.2
142.07730	2.0
143.08536	14.5
144.05652	0.5
145.04953	1.0
145.06407	1.4
145.10107	8.9
147.07991	2.9
147.11665	10.4
149.09566	0.6
149.13234	0.3
151.11134	2.0
153.06911	0.5
154.07729	0.5
155.08517	7.2
156.09276	0.4
157.06445	0.4
157.08856	0.3
157.10106	5.9
158.07193	1.2
158.10680	0.3
159.08018	16.7
159.11618	3.2
160.08807	0.6
161.09573	14.8
161.13190	1.0
163.11040	0.3
165.06898	1.7
165.09055	0.6
165.35298	0.3
166.07712	0.6
166.24997	0.3
167.08478	2.4
168.09291	1.1
169.04959	0.4
169.10069	7.7
171.08029	4.4
171.11639	5.1
173.09587	15.9
173.13200	1.6
174.10367	0.3
174.94757	0.3
175.11134	6.5
177.12646	0.3
178.07707	0.6
179.08493	1.7
180.09245	1.5
181.10065	6.8
182.10832	1.3
183.07956	0.5
183.11656	4.8
184.12270	0.4
185.09564	2.6
185.13214	2.6
187.11136	3.6
187.14722	0.4
189.12723	0.4
191.08394	0.3
191.10652	0.3
192.09340	1.8
193.10085	5.3
194.10829	1.4
195.07945	1.0
195.11650	8.1
196.08736	1.1
196.12311	0.4
197.09570	3.3
197.13179	2.9
198.10292	1.5
199.11127	5.6
199.14700	0.5
201.09042	0.3
201.12697	1.0
201.16330	0.4
203.08495	0.5
203.10570	1.1
204.09273	1.7
205.08426	0.3
205.10109	4.6
206.10835	1.3
207.11638	5.4
208.08789	0.5
208.12354	0.5
209.09592	3.1
209.13177	5.9
210.10294	1.4
210.13893	0.4
211.11145	6.9
211.14784	4.2
212.11871	0.6
213.12711	5.3
213.16188	0.3
214.09863	0.3
215.10628	2.7
215.14178	1.2
216.09387	0.4
217.10123	1.2
217.12163	0.5
217.32912	0.3
218.10883	1.8
219.11644	35.0
220.12337	2.1
221.13184	3.0
222.10338	1.6
222.13916	1.0
223.11258	5.2
223.14755	8.8
224.11862	1.9
224.15138	0.4
225.12700	6.8
225.16298	1.4
227.10596	1.5
227.14281	1.7
229.12173	2.5
231.11588	4.0
232.12373	1.7
233.13138	3.2
234.13916	0.4
235.11093	1.1
235.14796	4.7
236.11971	0.4
236.15402	0.5
237.12675	10.0
237.16307	2.9
238.13448	1.7
239.14278	2.8
239.17943	0.4
241.06906	0.3
241.12099	1.4
241.15802	1.2
241.77309	0.3
245.13123	3.0
246.13994	2.8
247.14674	1.9
249.12665	7.2
249.16359	2.4
250.13414	0.5
250.17056	0.6
251.14140	3.0
251.17838	4.4
253.15819	5.5
255.13760	1.1
255.17375	1.9
260.15466	4.1
263.14310	2.7
264.15042	4.7
265.15848	1.2
265.19415	3.7
267.17343	6.7
268.18173	0.6
269.18881	1.9
275.17874	16.8
278.16568	20.4
283.20514	1.2
293.18921	100.0
294.19138	1.8
311.19983	94.0
312.20291	1.6
329.21027	99.7
330.21313	1.7
359.43430	0.3
466.62341	0.3
566.70197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42051	0.8
57.07056	1.6
61.10946	0.9
71.08620	1.1
73.02898	1.3
73.06544	0.9
73.08869	0.9
87.04441	1.7
89.06020	8.6
110.19730	1.1
133.08594	2.3
144.78903	1.0
303.59509	1.0
304.04614	0.9
390.18823	1.5
391.19257	4.2
392.19864	4.3
399.16486	1.2
400.16788	1.6
401.17746	1.5
403.20047	1.0
405.20782	4.2
406.21509	4.9
407.22141	13.6
415.19034	7.6
417.21356	1.3
419.22635	1.5
420.23236	3.7
421.23828	13.6
422.24570	4.3
428.20023	2.0
429.20721	14.3
430.21304	2.2
433.19791	1.9
441.21008	1.7
442.21643	1.4
443.22409	8.9
444.23184	4.3
445.20300	2.2
456.19400	1.3
457.23724	4.9
458.24893	8.7
459.21652	9.2
460.22711	1.5
461.19318	3.8
471.21939	1.4
472.22437	4.5
475.20737	7.3
476.21948	3.7
477.23001	3.9
485.23688	12.5
486.19769	1.5
486.24759	1.3
487.21237	1.1
488.22299	1.6
489.22668	1.6
499.21313	4.4
503.24387	11.6
513.23035	3.9
517.26019	11.4
529.25568	1.5
531.23883	1.5
535.27106	5.1
545.25360	91.5
546.25842	1.4
564.27234	1.6
573.24805	17.0
605.27527	75.2
623.28552	100.0
624.28424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23625	1.7
55.03911	1.7
62.54432	1.8
64.39687	2.0
65.10213	1.8
73.97362	1.7
74.97007	1.7
92.09358	4.6
133.56966	2.5
178.83768	2.2
207.45151	2.1
419.22723	2.8
433.20267	11.1
435.21036	2.4
445.20328	2.4
446.20654	3.9
458.21179	9.7
459.21631	4.4
460.22562	3.1
510.34048	2.1
518.22870	3.3
533.25348	10.9
545.26196	2.2
563.26410	2.7
605.27563	18.6
622.28259	3.3
623.28406	100.0
623.37646	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	622.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04968	27.9
67.05480	10.0
69.03410	100.0
89.91726	4.6
91.05492	6.4
92.09131	6.9
95.04939	49.1
107.18798	5.0
113.05984	49.0
114.06290	9.8
119.08572	5.8
145.08574	30.2
184.96721	5.2
192.96452	5.3
211.21826	6.1
329.74368	5.8
337.21472	9.1
355.22623	6.4
373.23654	24.5
375.23990	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	622.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66203	7.5
55.05488	7.9
67.05488	46.3
69.03389	10.9
69.07037	10.0
71.04967	20.0
72.11193	6.9
85.06535	32.7
91.05447	7.4
93.07022	12.4
95.04927	40.2
95.08549	8.7
100.11214	20.0
107.08606	7.9
113.06001	100.0
119.08550	8.3
127.79433	7.3
145.08565	13.2
146.93454	8.7
147.76286	8.1
151.69279	8.3
260.41830	9.6
337.21222	29.3
373.23560	51.9
419.49582	8.5
425.25732	8.1
465.69864	10.6
604.47070	8.8
621.48865	57.8
622.48071	37.5
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
51.44580	0.2
76.55308	0.3
90.67886	0.2
96.84220	0.2
149.85608	0.3
150.91995	0.3
163.48718	0.3
169.43599	0.3
172.11302	0.3
179.93449	0.3
196.09799	0.3
209.10754	0.5
221.10591	0.4
222.11700	0.3
223.12378	0.4
233.10860	0.3
312.14926	0.3
322.13580	0.4
374.15463	0.3
375.16107	0.6
387.16022	0.5
388.16986	1.7
389.17508	3.9
390.18414	2.0
391.19312	1.6
401.17831	1.5
402.18753	2.1
403.19339	7.0
404.19937	3.1
405.20667	3.8
415.14838	0.5
415.19662	0.6
416.16260	1.7
416.20703	0.6
417.16934	5.5
417.21011	3.9
418.17709	1.8
418.21918	1.5
419.22363	10.7
420.23105	1.0
429.16943	0.6
430.17044	2.2
431.18094	8.5
432.19089	4.0
433.20026	3.2
443.18564	0.6
444.19415	0.6
445.20081	9.2
446.20819	8.6
447.21698	13.5
447.27451	0.5
448.22519	0.6
458.21274	0.5
459.22888	3.6
460.23242	0.7
461.19492	2.4
463.21268	0.4
473.19443	1.6
473.24146	1.2
474.20303	8.6
475.21097	10.6
476.22064	0.4
487.21237	3.6
488.22107	1.7
491.20187	2.0
501.23077	3.0
502.23157	0.4
505.25659	1.5
506.23154	0.5
518.22925	0.6
519.21710	0.5
529.22260	0.5
533.25476	18.8
534.22217	0.4
546.22491	1.2
561.24902	28.6
562.25586	2.6
578.24054	0.3
589.24280	1.6
593.27527	4.4
620.26312	3.1
621.26959	100.0
622.27234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01847	1.0
59.85730	0.5
61.02915	8.2
65.03918	0.7
67.05490	3.3
69.03416	1.3
71.52658	0.5
71.74621	0.4
72.09083	0.6
72.15611	0.5
72.36845	0.5
72.70550	0.5
77.03911	0.6
78.04695	0.9
79.05463	2.5
81.03379	1.2
81.07050	0.6
85.02871	2.5
91.05465	6.6
92.25273	0.6
95.04945	80.4
97.02860	1.1
103.05455	4.2
105.04488	5.2
107.04958	5.1
108.02033	0.9
109.06528	1.0
111.04464	0.6
117.03384	0.6
119.04926	9.2
121.06463	2.4
122.03576	0.7
123.04402	100.0
124.05196	1.2
125.02304	0.6
125.05975	0.9
127.07569	2.2
131.04904	21.9
133.02827	11.7
133.06430	0.9
135.04440	3.8
137.05939	12.6
139.07524	3.0
140.04655	25.8
147.04376	12.5
149.05962	4.5
151.03850	1.0
151.07521	7.6
152.04630	0.8
153.05498	0.7
155.06998	49.3
161.05943	0.8
162.06773	0.8
163.03889	4.5
163.07492	8.4
164.04672	0.6
165.05414	6.5
167.06999	61.5
173.08049	0.6
177.05469	4.1
179.07010	12.0
183.06490	78.4
193.04944	3.4
193.08578	0.8
195.06488	12.9
205.08568	1.2
207.06442	3.5
209.08014	1.3
221.08093	0.7
225.07524	36.7
227.09120	3.2
233.08163	2.5
243.08566	10.3
251.09145	1.2
329.13931	0.7
355.11691	2.6
373.12787	3.3
375.14230	3.2
387.14264	1.0
405.15390	0.9
429.92670	0.5
489.70969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.6
55.01863	31.5
55.05503	18.9
57.03419	7.5
61.02909	3.5
65.03918	2.5
67.05135	3.8
67.05490	79.6
69.03414	71.2
69.03688	1.9
69.07061	19.2
71.04972	22.2
73.02905	17.0
77.69176	1.8
79.05469	66.4
81.03399	68.4
81.07037	77.0
83.04971	3.2
83.08599	7.0
85.02894	31.6
85.06538	3.0
91.05456	30.3
92.64640	2.2
93.06414	2.2
93.07020	70.6
95.04942	8.0
95.08576	61.5
96.03983	2.0
97.02869	55.6
97.06506	2.6
99.04429	100.0
101.02348	4.4
104.09794	1.6
105.07013	21.8
107.08574	29.7
109.02859	51.0
109.10136	27.7
111.04415	4.6
117.07008	9.7
119.08554	20.2
121.10125	28.5
123.08051	2.3
123.11701	16.4
127.03885	90.4
129.07002	2.1
131.08510	15.1
133.10121	13.0
135.11665	18.5
143.08551	2.3
145.04944	12.6
145.10118	12.7
147.11685	9.5
149.13229	8.1
159.11710	7.5
161.13193	4.2
163.14716	2.7
173.13216	7.7
175.14784	3.3
187.14798	3.6
243.20950	4.1
259.20490	8.3
261.22009	19.9
277.21545	8.1
279.23285	4.4
293.23865	2.6
297.24283	2.7
369.24097	12.8
387.25284	7.8
405.26276	15.4
423.27341	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.399
Annotation	Diospyrosooleanolide
Peak:m/z	Relative Intensity
51.31520	1.6
55.05499	10.4
57.07047	2.6
64.68903	1.6
65.03927	2.5
66.80138	1.8
67.05487	16.2
69.07056	15.4
79.05467	13.8
81.07049	34.0
83.08604	12.5
91.05454	30.2
93.07031	30.2
95.08590	42.3
97.10143	2.6
105.07025	24.0
107.08588	47.8
109.10128	31.1
117.06994	3.2
119.04917	42.9
119.08561	40.5
121.10101	28.1
123.11678	12.8
131.08583	20.3
133.10117	28.8
135.11667	22.3
136.16058	2.0
137.13300	2.4
143.08556	3.6
143.75612	2.0
145.10135	22.6
147.04390	100.0
147.11664	20.9
149.13258	13.6
157.08905	2.3
157.10135	7.6
159.11638	16.2
161.13243	23.1
163.14789	18.5
169.10030	2.5
171.11734	3.7
173.13211	16.2
175.14806	27.7
177.16376	9.3
187.14752	16.0
189.16336	12.6
191.17941	2.3
193.58710	2.2
199.14854	4.2
201.16350	19.0
203.17900	4.9
212.81628	2.1
213.16505	3.4
215.17944	10.0
217.19583	3.6
221.15288	3.1
229.19562	14.5
239.18002	2.5
241.19455	4.2
243.21132	3.5
247.16869	3.2
255.21048	3.9
261.18420	3.1
267.21002	3.6
275.20090	3.3
287.20032	3.1
301.21729	2.7
350.81677	2.0
389.31186	2.2
391.33456	8.1
409.34634	9.6
415.78015	2.2
419.33145	2.5
427.35538	8.2
437.33966	29.5
455.34964	12.5
549.91980	2.2
619.39142	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	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05282	4.1
55.05497	54.9
57.07056	9.1
57.94931	4.0
67.05486	37.3
69.03401	8.0
69.07042	20.8
71.04964	8.2
78.88261	4.0
79.05450	40.1
81.07045	50.7
83.08590	65.1
85.06505	6.8
87.04443	27.1
91.05447	62.9
93.07010	78.9
95.04929	33.6
95.08567	32.5
97.06493	27.0
105.07006	100.0
107.08557	69.1
107.79121	4.2
109.06475	24.4
109.10120	23.5
117.06984	22.4
119.08532	73.1
121.06490	7.3
121.10132	39.2
123.08029	38.5
125.09560	10.1
128.06148	7.7
129.06981	24.9
130.07716	4.7
131.08517	56.1
133.10098	37.7
135.07980	5.5
135.11647	6.2
137.09573	7.6
139.11084	8.4
141.06947	8.9
142.07758	35.6
143.08530	46.1
144.09294	10.6
145.10094	79.9
147.08018	7.8
147.11609	10.1
149.09544	7.5
149.52411	4.9
155.08510	9.4
155.10641	6.4
156.09291	29.0
157.10092	62.9
158.10799	7.3
159.07999	7.7
159.11636	38.6
160.08752	9.3
161.09486	6.1
163.11211	6.7
165.06905	7.2
165.09052	9.9
167.08498	19.0
169.10063	31.1
170.10806	10.5
171.11606	47.7
173.13196	10.9
174.20071	5.5
179.08524	10.4
180.09319	6.0
181.10092	8.8
181.12177	11.5
182.10815	6.8
183.11705	21.0
185.13203	9.6
194.10876	5.6
195.11662	11.6
196.12550	6.9
197.13193	25.0
199.14691	6.3
207.11815	6.9
207.14090	4.9
209.13208	23.4
211.14749	10.2
221.13231	10.9
221.15309	10.7
223.14784	7.9
225.14742	11.1
233.15373	9.9
234.16138	6.3
421.62366	5.4
471.25720	5.8
590.10583	5.6
600.42126	5.5
618.42010	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.05506	53.8
57.07069	19.3
67.05490	30.2
67.76675	4.4
69.03407	12.0
69.07040	17.6
70.33737	5.5
71.04972	8.2
79.05489	36.6
81.07031	69.8
81.10801	4.2
83.04973	20.7
83.08600	51.7
85.06556	7.0
87.04483	5.9
91.05473	46.1
93.07026	69.6
95.04948	26.8
95.08601	35.8
97.06512	21.9
105.07016	96.5
107.08564	74.3
109.06512	20.1
109.10133	28.3
117.06988	41.5
119.08553	90.5
121.06494	7.5
121.10135	32.1
123.08039	33.7
123.08900	5.1
125.09592	10.1
129.07002	21.7
131.08556	67.3
132.09399	5.1
133.06479	7.6
133.10098	61.0
135.08031	22.4
135.11679	8.8
136.49644	5.6
137.09634	7.1
138.99556	6.0
141.06996	6.1
142.07739	25.9
143.08534	47.4
144.09331	10.4
145.06516	7.9
145.10095	100.0
147.08055	21.4
147.11719	27.1
155.00035	5.8
155.08461	21.2
155.10655	8.7
156.09299	29.8
157.10074	75.1
158.10791	9.1
159.08063	9.7
159.11737	39.5
160.08821	11.4
161.09518	10.4
163.11166	9.6
165.09059	19.4
167.08580	8.6
169.10133	34.1
170.10921	9.4
171.11665	34.9
173.09572	5.6
173.13217	11.7
175.11172	9.1
179.14423	6.3
181.10052	9.3
181.12224	8.5
183.11668	30.8
185.09590	5.4
185.13274	23.8
191.14308	8.1
193.10097	11.9
193.12129	5.6
194.10869	5.4
195.11684	27.2
197.13257	21.9
199.11131	6.5
199.14825	9.0
201.12685	6.9
201.24448	5.3
203.14325	7.9
207.13699	11.0
209.13232	25.0
211.14810	12.3
221.13417	6.1
221.15184	36.2
223.14934	9.7
233.15288	12.6
234.16072	7.5
237.16492	6.8
247.17113	5.6
261.16235	5.9
287.20047	27.3
314.64536	5.5
325.21326	6.3
352.23776	37.7
365.24524	9.6
519.38971	5.7
538.36572	83.1
618.42468	12.4
632.50092	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88206	6.7
55.05502	78.8
57.07069	8.2
67.05478	37.8
69.07045	14.8
71.04942	7.5
79.05466	16.9
81.07027	47.0
83.08588	44.0
91.05476	55.0
93.07028	73.8
95.04945	28.5
95.08576	37.0
97.06486	12.5
105.07005	100.0
106.53100	6.8
107.08579	57.4
109.06483	16.1
109.10133	32.0
111.08068	8.7
117.06985	16.8
119.08555	81.4
121.10095	44.2
123.08016	35.5
123.11665	8.6
125.09568	8.7
129.06976	12.1
131.08533	47.6
133.10118	54.2
136.08693	6.7
139.11111	10.5
142.07761	34.3
143.08533	46.1
145.10107	64.1
147.11658	30.5
153.46382	6.7
155.08548	15.4
156.09311	12.6
157.10139	51.1
159.08058	11.0
159.11650	47.4
165.06781	8.7
167.10622	14.6
169.10056	34.0
171.11606	30.8
173.13254	13.3
175.11140	12.2
179.08562	10.6
181.10139	10.6
181.12209	8.6
182.10918	8.0
183.11591	13.8
185.13164	9.5
195.11581	13.2
197.13260	17.2
207.11694	11.1
209.13136	15.5
211.14728	10.2
211.62056	8.1
221.15404	10.3
223.14786	13.0
225.14890	9.3
303.47070	6.7
354.69421	7.2
359.26559	8.0
618.42365	11.8
620.17792	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.05502	52.9
57.07058	13.1
58.58255	4.9
59.16496	5.7
59.48677	5.1
67.05480	27.8
69.03406	13.0
79.05466	49.7
81.07042	48.9
83.08608	43.7
87.04448	31.3
87.31801	5.8
89.67852	5.4
91.05482	42.4
93.07021	49.4
95.04951	28.3
95.08580	34.6
97.06498	23.9
105.07005	100.0
107.08572	59.2
109.06503	14.8
109.10126	12.0
110.98631	5.5
113.09628	6.5
117.06970	27.9
119.08571	76.0
121.06487	12.7
121.10110	36.3
123.08017	14.7
125.09600	25.2
128.06216	7.6
129.06931	11.0
131.08542	51.3
133.10126	58.4
135.11676	11.5
137.09592	10.5
139.11208	8.9
141.06880	7.4
142.07730	12.6
143.08551	43.2
144.09312	10.9
145.06520	10.9
145.10098	77.5
147.08032	31.4
147.11696	13.9
149.09657	8.4
153.55438	6.3
155.08574	10.3
156.09286	14.3
157.10077	61.7
159.08035	8.3
159.11638	36.0
163.11133	22.0
165.06950	9.2
165.09084	27.2
169.10158	22.6
171.11620	34.0
175.11150	7.0
181.12329	9.0
183.11670	28.3
193.12238	5.9
194.10922	7.1
195.11609	11.5
197.13269	8.8
203.14532	7.9
206.10802	7.4
207.11784	10.1
207.13779	10.7
209.13080	9.5
215.99536	7.2
221.15337	31.6
223.14893	7.8
225.14665	7.8
233.15480	12.9
233.76360	6.9
243.88776	6.1
259.66266	6.0
265.19305	6.5
286.18961	7.4
287.19992	31.8
299.20068	8.6
352.23944	41.4
361.48538	7.6
396.24097	7.8
530.58905	7.4
538.36499	83.3
618.41968	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.2
53.03930	2.3
55.01859	2.7
55.05262	2.1
55.05503	35.3
57.07065	14.7
59.04982	1.6
67.05494	18.7
69.03429	11.3
69.07053	11.2
71.04958	2.9
79.05468	25.0
79.22203	1.1
80.06261	1.3
80.95594	1.4
81.07040	38.4
83.04952	8.4
83.08600	36.6
85.06493	10.8
87.04444	8.9
91.05453	34.7
93.07021	44.5
95.04941	29.4
95.08578	28.9
95.64962	1.3
97.06479	10.2
99.04384	2.7
103.05436	2.2
105.07014	68.2
107.04958	2.3
107.07862	1.8
107.08573	43.4
107.09712	1.7
109.06497	14.4
109.10155	12.5
111.08071	3.0
111.81537	1.4
113.09597	2.7
115.05424	1.5
117.06996	21.5
119.08553	60.4
120.09339	3.3
121.06463	9.8
121.10119	25.7
122.07356	1.3
123.08035	22.0
123.11627	2.2
125.09624	6.0
125.80538	1.4
128.06194	5.7
129.06999	16.3
130.07678	6.0
131.08542	42.6
131.09442	2.6
132.09317	6.8
133.06482	2.8
133.10101	33.3
135.08047	15.0
135.11644	7.2
137.05919	2.0
137.09599	12.9
139.07504	1.9
139.11169	6.0
140.43633	1.6
141.07036	4.1
142.07762	14.7
143.08539	38.5
144.09303	11.0
145.06465	6.8
145.10103	60.2
146.10896	3.3
147.08028	26.5
147.11656	12.3
149.09607	11.5
151.07536	10.4
151.11087	2.1
155.08549	12.9
155.10593	2.9
156.09314	18.8
157.10103	49.1
158.10869	8.1
159.08018	12.7
159.11649	28.6
160.08846	11.1
160.12410	1.8
161.09573	13.5
161.13234	8.7
163.11150	8.5
165.06955	5.1
165.09065	33.2
167.08522	5.9
167.10625	2.9
168.09302	5.5
169.10104	19.0
170.10831	7.0
171.08037	2.5
171.11629	23.9
172.12477	10.2
173.09572	6.3
173.13179	11.6
175.11157	18.1
175.14751	2.4
177.08998	2.1
177.12578	2.0
179.08487	3.3
179.14343	1.8
180.09262	2.2
181.10118	9.9
181.12175	11.0
182.10881	6.9
183.11653	16.2
184.12450	2.5
185.09555	3.4
185.13168	10.3
187.11136	8.7
187.14716	2.0
189.12756	8.3
190.13480	2.1
191.14282	5.5
193.10097	7.2
193.12231	9.2
194.10822	2.4
195.11621	13.2
195.13481	2.5
196.12357	6.8
197.09625	2.3
197.13194	16.0
198.13945	1.6
199.11116	6.4
199.14842	2.7
201.12749	3.1
203.14296	16.7
206.10950	2.3
207.11795	3.1
207.13719	8.5
208.12497	4.3
208.14522	8.6
209.09610	1.7
209.13202	13.6
209.15160	1.4
211.11089	3.1
211.14729	10.5
213.12741	7.0
215.14299	3.1
216.14958	1.6
219.11739	2.0
219.13695	3.2
220.12355	2.3
221.13260	3.8
221.15289	45.0
222.13835	2.1
223.14729	8.1
225.12845	1.9
225.14795	6.6
225.16580	1.9
227.14235	2.5
229.15794	1.8
231.13815	2.2
233.13303	2.1
233.15242	10.9
234.16031	11.4
235.14728	2.2
237.12857	2.7
237.16232	3.1
243.13739	1.6
247.16937	6.3
253.15933	1.9
255.17426	1.6
259.16855	2.2
263.17889	2.1
265.15787	1.9
269.19003	3.2
271.16934	3.1
273.18573	3.0
274.19266	2.5
286.19174	5.8
287.19992	29.6
295.20346	1.6
297.18414	2.3
299.19977	7.9
303.19806	2.2
310.19235	1.5
312.20761	5.1
325.21600	10.3
337.21475	5.5
339.23154	2.8
352.23883	49.9
365.24652	8.3
395.25696	2.5
442.75665	1.7
472.31506	7.4
480.31580	1.9
525.35492	9.4
538.36438	100.0
549.34314	8.8
568.05957	1.8
572.36511	3.4
600.02747	1.5
600.41815	2.0
618.42450	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	618.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.9
55.01859	3.6
55.05501	43.1
57.07059	14.7
57.64097	3.1
67.05481	22.1
69.03407	4.1
69.07053	8.9
71.04971	6.1
75.10931	3.0
79.05467	28.0
81.07036	50.0
83.04977	5.3
83.08599	42.9
85.06512	6.1
87.04436	31.6
91.05449	47.1
93.07025	45.5
95.04951	17.8
95.08566	28.7
97.06510	23.5
105.07010	100.0
107.08575	56.6
109.06498	19.1
109.10147	21.8
113.09679	4.4
116.06279	3.7
117.06991	29.8
119.08549	76.0
121.06466	7.2
121.10105	43.5
123.08030	24.9
125.09606	6.2
128.06189	5.3
129.06972	19.7
130.07697	4.8
131.08546	45.2
133.10100	42.6
135.08032	6.8
135.11664	5.8
139.11108	7.4
141.06976	4.7
142.07755	22.0
143.08585	49.7
144.09290	16.7
145.06456	6.9
145.10124	62.0
147.08018	6.5
147.11682	18.1
149.09660	4.4
155.08543	15.9
156.09297	26.6
157.10136	45.4
158.10820	7.4
159.07996	8.7
159.11673	33.4
160.08769	5.5
163.11134	7.5
165.09160	5.2
167.08511	6.9
169.10007	26.3
170.10870	5.2
171.11607	26.5
173.13203	14.7
175.11055	4.0
179.08485	8.6
180.09325	4.6
181.10091	15.8
181.12244	4.1
183.11639	19.9
185.13237	13.6
189.12642	5.1
193.10101	17.9
194.10844	5.3
195.11650	25.5
196.12433	8.3
197.13196	22.0
199.14871	6.0
207.11684	5.8
208.12428	4.6
209.13232	8.9
211.14766	13.8
221.13216	13.0
221.15231	7.2
223.14822	6.9
225.14766	8.9
233.13197	4.3
233.15331	8.3
246.95944	4.1
247.14780	5.1
352.23654	6.1
352.85870	3.7
495.19058	3.9
520.36084	4.6
538.35693	5.4
618.41791	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.1
53.03939	0.8
55.01864	1.4
57.03426	24.9
57.43487	0.5
59.04993	5.2
59.05243	0.8
59.66938	0.5
61.02911	5.1
69.03413	77.9
70.62086	0.7
71.04969	0.9
73.02899	5.2
75.04450	3.9
81.03409	6.3
85.02888	100.0
87.04448	44.2
87.04985	1.5
91.03963	2.3
91.05456	0.6
97.02868	66.0
99.04414	5.7
101.02333	0.7
103.03896	0.9
105.07043	0.8
107.08544	0.9
109.02840	4.8
109.10144	0.9
111.04417	0.6
115.03906	47.9
123.04420	0.9
125.02403	0.7
127.03893	17.4
133.04939	51.2
145.04932	21.8
150.07652	1.0
163.05978	10.0
167.34125	0.6
169.04936	1.2
187.05904	0.7
218.59419	0.6
259.08081	6.3
263.79327	0.7
295.10196	4.2
325.11282	4.0
517.54700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.3
53.03923	0.1
55.01869	0.5
55.05504	1.5
57.03432	4.1
57.07069	6.7
58.05116	0.1
59.04990	10.7
65.03925	2.0
67.05492	32.7
69.03416	15.9
69.07056	0.9
71.04977	24.4
73.06536	0.9
79.05476	3.8
81.07037	4.8
83.04964	2.6
83.08608	1.4
83.77685	0.1
85.02876	0.9
85.06530	32.5
87.04451	5.6
91.05459	4.9
93.07025	5.3
93.07617	0.2
95.04948	36.2
95.08582	3.6
97.06522	0.5
99.08064	0.6
101.05993	1.7
105.03416	0.2
105.07011	8.0
107.08580	5.8
108.21468	0.1
109.06511	0.9
109.10143	2.4
110.46196	0.1
113.05989	100.0
114.06296	0.3
115.05408	0.2
116.06184	0.1
117.07006	2.8
119.08564	4.9
121.06474	1.2
121.10109	2.8
123.04369	0.2
123.08053	0.2
123.11681	0.2
125.05978	1.1
127.07529	0.7
128.06206	0.6
129.06990	2.6
130.07796	0.2
131.08546	5.4
133.06483	0.3
133.10104	4.7
134.29170	0.1
135.08020	0.6
135.11678	2.4
139.07484	0.2
141.05707	0.1
141.05881	0.2
141.06964	1.3
142.07748	0.6
143.08546	4.8
144.09264	0.2
145.08582	22.2
145.10091	4.6
147.08037	0.7
147.11664	3.7
149.05954	0.2
149.13226	1.7
151.07492	0.3
153.05466	0.6
153.06834	0.1
154.07716	0.2
155.08524	3.0
156.09320	0.3
157.06454	0.7
157.08980	0.2
157.10121	3.3
159.07997	0.7
159.11668	5.0
161.05968	0.2
161.09567	0.6
161.13222	3.7
163.07510	0.9
163.11136	0.7
165.05438	0.7
165.06902	0.2
166.07765	0.2
167.08495	1.0
168.09293	0.6
169.10072	2.5
171.08046	0.7
171.11661	2.7
173.09630	0.5
173.13219	1.5
175.07521	3.2
175.11191	0.2
175.14789	0.6
177.09029	0.9
179.07103	0.1
179.08560	0.3
180.09338	0.2
181.10092	2.2
182.10846	0.6
183.11678	3.0
185.09656	0.9
185.13220	1.8
187.07520	0.8
187.11198	0.5
187.14777	0.9
189.09137	1.4
189.12616	0.2
189.16374	0.7
191.10770	0.2
193.08621	0.4
193.10126	0.6
195.07947	0.1
195.11681	1.9
197.09514	0.5
197.13216	1.9
199.07475	0.1
199.11145	0.6
199.14799	1.7
201.09085	0.9
201.12695	0.3
201.16396	0.5
203.10666	0.7
203.14162	0.2
207.11681	0.5
209.09621	1.5
209.13203	1.5
211.11162	1.4
211.14735	1.5
212.24910	0.1
213.09103	0.6
213.12683	0.3
213.16263	1.0
215.10632	0.6
215.17865	1.2
217.12216	0.5
217.15834	0.2
221.13239	0.8
223.11140	0.3
223.14752	0.8
225.16399	0.6
227.10658	3.1
227.14201	0.5
229.12187	3.4
229.15793	0.2
231.13857	0.2
231.17409	0.2
232.18170	0.2
235.14784	0.8
237.12585	0.2
237.16246	0.3
239.17874	0.2
241.12175	1.4
243.13695	0.7
247.12857	0.4
249.16315	0.7
251.17851	0.3
253.12271	0.2
253.19487	1.0
255.13698	1.5
263.17694	0.2
269.15427	0.2
271.20413	0.1
277.16138	0.2
277.19312	1.0
281.15228	0.5
291.21008	1.9
295.17075	0.2
295.20444	0.3
299.16458	0.2
301.19525	0.1
309.22058	0.9
319.20554	2.1
337.21555	16.8
338.21805	0.2
355.22610	17.6
356.23026	0.3
373.23666	30.5
374.24081	0.2
415.24652	0.5
433.25778	3.3
499.30527	0.5
517.31592	1.3
624.91748	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	617.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01669	2.2
53.03945	9.7
55.01865	2.9
55.05505	20.2
57.07064	13.2
59.04982	3.4
65.03947	2.1
67.05495	30.1
69.03420	13.2
69.07051	26.9
71.04970	4.4
77.39440	2.2
79.05475	42.1
81.03406	2.2
81.07031	48.9
83.04957	24.3
83.08603	15.4
85.02895	2.6
85.06533	9.2
91.05466	56.6
93.07027	67.4
95.04955	26.8
95.08591	26.9
97.06503	18.9
104.12727	2.2
105.07016	100.0
107.08579	52.9
109.06513	21.6
109.10162	16.0
109.68742	2.7
111.11720	2.4
113.09614	2.8
114.37671	2.3
115.05424	4.6
116.06229	3.0
117.07018	18.6
117.10514	2.3
119.08562	62.4
121.06485	15.5
121.10116	57.7
123.08053	15.2
123.11675	9.8
125.05968	14.5
125.09642	10.4
128.06215	16.5
129.06963	26.2
130.07751	10.0
131.08548	45.7
133.10109	33.8
135.08029	10.1
135.11717	6.0
137.09555	4.5
137.19577	2.3
141.06987	5.8
142.07802	27.2
143.08505	33.8
144.09331	11.4
145.10104	58.7
147.08040	15.2
147.11700	16.1
149.09567	18.6
153.06929	4.1
154.07703	5.2
155.08508	17.8
156.09348	19.1
157.10100	47.9
158.10899	5.4
159.08052	14.6
159.11685	29.6
161.09648	5.5
161.13264	3.3
163.11131	19.0
165.07018	3.4
165.09058	4.7
166.07796	3.5
167.08533	9.9
167.10614	49.2
168.09360	5.2
169.10118	24.9
170.10880	5.7
171.11671	21.6
173.09561	9.2
173.13258	13.3
175.11180	10.0
178.07719	4.0
179.08513	13.4
180.09312	5.2
181.10199	20.8
181.12111	19.4
182.10876	10.5
183.11700	13.5
185.13257	13.9
187.11157	4.0
187.14763	3.2
189.12799	2.7
193.10132	11.1
194.10855	9.0
195.11626	18.5
196.12445	3.2
197.13275	14.8
199.14839	3.0
201.12740	3.8
203.14447	2.7
206.10867	5.7
207.11636	13.0
208.12317	2.8
209.09827	3.3
209.13287	11.4
211.14783	5.9
213.12764	5.4
215.14264	3.7
217.10094	3.2
219.11754	4.3
220.12421	3.7
221.13219	9.4
221.15341	9.2
223.14771	11.8
231.11667	2.8
233.13281	3.9
233.15288	18.7
234.13857	3.3
235.14828	11.4
237.16400	4.8
244.12485	3.8
245.13190	3.6
311.20279	4.0
468.16776	2.7
581.39746	3.8
617.41675	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	617.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
56.08142	1.1
64.32758	1.2
67.05489	9.0
69.07064	5.6
79.05480	7.1
81.07035	9.5
83.04935	1.4
83.08614	1.9
91.05486	3.7
93.07031	9.3
93.65515	1.4
95.04940	1.6
95.08590	7.2
96.06621	1.3
105.07024	2.8
107.08571	2.8
109.10155	2.5
115.42061	1.5
119.08586	3.4
121.10170	2.5
131.08595	1.6
143.08542	1.7
159.11652	1.8
283.15112	14.3
335.25726	2.5
497.35034	1.8
617.40118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.9
53.03923	3.7
55.01847	2.9
55.05502	22.7
56.05833	2.3
57.03424	15.9
57.07054	5.1
59.04978	4.7
61.02910	2.4
65.03917	2.7
66.85759	2.3
67.05486	27.6
69.03408	45.4
69.07048	38.4
69.28026	2.3
71.04970	51.2
73.02866	3.1
73.06522	3.0
75.04449	2.5
75.81635	1.7
79.05475	30.3
81.03398	10.7
81.07032	87.6
83.04967	9.1
83.08593	14.3
85.02882	43.3
85.06522	11.1
87.04433	17.1
91.05459	28.5
93.07017	85.1
95.04925	14.9
95.08576	58.7
97.02864	34.5
97.06503	15.1
97.10129	12.7
99.04411	3.5
99.08080	4.9
103.05437	2.1
105.07008	86.8
107.08575	100.0
109.06493	2.8
109.10134	77.0
111.04398	3.7
111.08034	3.9
113.06010	4.6
115.03893	15.4
117.03358	4.6
117.06992	9.5
119.08545	77.1
121.10122	52.5
123.08062	5.2
123.11662	13.6
125.09594	35.4
127.03903	5.0
127.11168	36.6
129.06956	3.5
130.07748	2.5
131.08536	31.4
133.04924	13.2
133.10107	25.5
135.11674	19.9
137.05952	3.3
137.09615	3.5
137.13199	4.1
139.11104	3.3
142.07745	2.6
143.08546	16.4
143.10652	51.6
145.02821	34.7
145.10092	49.6
147.04343	2.9
147.11661	51.4
149.13260	21.4
151.11101	4.9
155.08537	2.5
157.10062	26.4
159.11653	38.1
161.13197	10.9
165.12697	2.6
166.17001	2.8
171.11658	8.8
173.13205	15.6
175.14769	15.4
177.05409	41.9
177.12762	2.6
185.13184	13.2
187.14766	3.9
189.16386	9.8
193.15822	2.9
199.14761	3.2
201.16325	36.8
211.14755	2.6
213.16313	11.8
215.17999	8.8
233.64116	2.6
269.22546	14.7
287.23676	26.9
305.24677	22.4
460.73514	2.6
619.74042	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	617.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54619	1.3
53.00297	4.2
53.03926	3.6
53.48904	1.3
54.49294	1.4
55.01846	3.2
55.05502	22.7
57.03421	17.9
57.07047	7.7
59.04980	7.7
63.90883	1.6
67.05489	36.6
68.58022	1.7
69.03408	41.6
69.06700	2.5
69.07049	32.4
71.04601	2.7
71.04973	53.4
73.06516	3.7
79.05473	35.9
81.03385	4.0
81.07037	100.0
83.04960	2.5
83.08606	12.5
85.02886	33.6
85.06509	10.5
87.04439	21.4
91.05451	34.4
93.07019	73.4
95.04939	10.3
95.08590	74.0
97.02879	25.8
97.06482	9.9
97.10131	10.1
99.04415	3.3
99.08061	3.3
100.11246	3.9
103.03915	4.3
105.07008	87.7
107.04914	1.9
107.08576	88.5
109.02856	2.3
109.06522	10.7
109.10140	69.3
111.08059	3.4
113.09560	2.6
115.03910	19.8
117.06979	11.8
119.08554	72.4
121.06480	3.1
121.10125	53.5
123.07991	3.7
123.11678	17.8
125.09592	34.9
127.03880	4.2
127.11153	25.2
129.06888	5.8
130.07733	2.9
131.08524	27.5
133.04935	13.1
133.10100	55.3
135.11687	20.1
137.05913	3.1
137.09599	8.8
137.13156	1.9
139.11122	2.2
140.13974	2.3
142.07759	7.2
143.08519	12.0
143.10654	55.3
144.09387	2.7
145.04973	6.7
145.10100	61.7
147.04393	3.0
147.08058	2.1
147.11655	54.8
149.09557	2.0
149.13219	24.7
151.11131	6.4
153.12752	2.6
156.09309	2.3
157.10100	21.5
159.11661	48.5
161.13226	10.5
163.03874	2.8
163.14830	3.7
165.12660	3.9
167.06964	2.5
169.10110	2.2
171.11646	12.0
173.13257	13.2
175.14790	12.2
177.05432	3.2
177.12689	2.1
177.16351	13.3
179.14288	2.8
183.11719	2.2
185.13260	11.6
187.14781	10.6
189.16368	11.6
195.17368	7.3
196.79469	1.9
197.82875	1.7
199.14793	10.4
201.16347	54.7
205.15869	3.2
213.16330	9.6
215.17964	4.5
219.17436	3.6
223.16844	14.8
227.17746	4.2
269.22482	15.8
275.23502	2.8
287.23639	29.0
305.21323	2.9
305.24689	53.1
323.25775	4.2
419.27673	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	617.2926
Annotation	YM 47524
Peak:m/z	Relative Intensity
51.10645	0.3
58.36881	0.3
67.05475	0.3
69.03416	1.7
69.07064	0.5
81.03417	0.5
81.06978	0.4
85.02889	1.6
87.04441	0.4
91.05439	0.6
92.09003	0.8
93.07050	0.6
95.08582	0.4
97.02856	0.5
105.07002	0.5
107.08594	0.5
119.04929	0.8
127.03901	0.5
145.10052	0.4
147.04398	8.2
147.11624	0.5
149.86507	0.3
154.99335	0.3
157.74777	0.4
187.54544	0.4
259.33115	0.3
294.08441	0.4
338.21997	0.4
355.22672	0.4
357.23373	0.4
360.59454	0.4
571.17206	0.3
617.29224	100.0
618.29541	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	617.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33907	0.5
52.96181	0.6
55.05528	0.9
55.83703	0.6
56.96281	0.9
56.96560	25.3
57.03428	0.8
57.07063	1.2
58.76463	0.5
59.04997	0.9
67.05483	9.5
69.03416	6.9
70.98110	1.0
71.04994	5.9
73.45702	0.6
73.71559	0.6
74.97607	0.9
79.05466	1.5
81.07039	2.7
85.06518	7.8
87.04456	0.9
88.99118	0.6
91.05450	0.8
92.50104	0.6
93.07026	1.2
95.04947	10.3
95.08591	1.0
96.05264	1.2
98.97559	57.6
100.99152	0.8
105.07013	2.8
107.08584	3.2
113.05993	23.6
114.06319	1.3
114.36218	0.7
116.98601	75.6
119.00150	1.2
119.08569	0.7
121.10079	1.0
124.99052	0.8
131.00151	0.9
133.10170	0.7
134.99640	63.7
140.00215	0.9
143.00143	13.6
145.08554	4.8
146.06682	0.7
149.01213	1.1
153.00677	14.1
157.01749	4.3
158.01239	2.7
159.03209	1.1
159.11656	1.0
161.01199	28.5
169.01720	5.7
175.02817	3.6
179.02263	5.7
185.01176	11.1
187.02762	16.0
189.04446	1.0
201.04321	1.6
203.02246	28.6
205.03833	3.1
217.03880	0.8
219.05510	3.4
221.03223	0.7
229.03781	7.0
243.05405	4.1
247.04791	5.4
261.06396	13.7
279.07483	1.5
351.20285	1.0
353.20871	5.3
354.21558	2.9
395.19061	1.2
403.21640	1.3
406.98642	0.7
413.20123	3.7
429.19675	0.8
431.21060	4.3
449.21899	8.5
455.21097	1.3
467.23276	2.8
473.22116	3.0
491.23404	4.6
509.24075	2.8
617.29840	100.0
618.30219	3.1
635.31360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03428	0.9
61.02893	0.7
65.03908	0.8
67.05484	0.5
69.03413	5.0
70.15303	0.6
78.04677	1.3
79.05473	6.8
81.03387	6.4
81.07027	2.3
85.02893	9.3
87.03935	0.5
91.05466	5.9
93.06984	0.6
93.64249	0.7
95.04934	3.6
97.02861	3.6
103.05427	2.2
105.06995	2.6
106.04175	0.7
107.04939	19.0
107.08572	0.6
109.02829	0.6
115.05431	5.8
116.16147	0.5
117.06987	9.3
119.04896	0.8
121.06469	1.2
123.04382	7.3
124.05209	5.3
125.05984	2.3
126.05354	0.8
127.03915	0.7
128.06183	4.2
129.06978	5.6
131.04877	1.0
131.08572	6.1
133.06447	3.2
137.05965	4.7
140.04703	0.6
141.06966	3.5
143.04846	0.9
143.08531	2.3
144.05663	5.9
145.06471	23.0
147.07957	0.7
149.05983	1.0
151.03946	0.7
152.04652	3.3
153.06970	0.9
155.05894	3.9
155.07034	3.0
156.05655	14.9
157.06471	4.5
158.07307	1.0
159.08032	11.6
161.05965	4.8
163.03877	1.1
167.07002	100.0
169.06438	2.3
169.07697	0.8
170.07201	2.8
171.08043	3.9
172.05156	1.4
173.04462	1.2
173.05946	32.8
174.06700	0.8
175.07397	2.2
177.05453	0.9
179.06987	2.6
181.04987	0.9
181.08525	6.1
183.06454	0.8
184.05084	3.9
185.05936	0.8
186.06758	2.5
187.07491	12.8
188.14282	0.6
189.09079	0.9
190.06210	20.9
190.07634	0.8
191.06989	2.1
191.08536	0.8
193.08574	1.3
199.07529	4.1
200.08237	0.6
201.09149	1.2
202.06190	7.4
202.07855	0.8
203.07001	3.4
203.08641	1.3
203.10451	0.6
204.07637	0.7
205.08565	36.4
207.06508	2.2
207.08200	0.7
207.10085	1.1
208.05107	1.0
208.08794	0.7
210.06656	1.0
215.06932	3.1
216.07709	0.9
217.08553	50.2
218.07191	1.4
219.08031	6.1
219.10162	5.1
220.08807	3.0
221.06015	0.8
223.09515	0.9
229.08556	1.2
231.08000	2.9
231.10078	17.5
233.09575	3.4
234.06813	0.9
234.14828	1.0
234.65431	0.6
235.07434	1.0
235.09410	6.3
236.08311	3.0
237.09134	0.9
245.09515	0.7
247.07417	6.2
247.09639	8.4
248.08180	4.9
249.08949	1.0
249.11159	4.9
254.05640	0.7
255.06624	0.7
260.08069	1.0
261.05341	0.6
261.09064	2.6
262.06418	0.7
262.09879	0.7
263.07196	1.9
263.10580	4.2
264.07797	4.1
265.08710	1.1
265.10736	10.0
267.06683	0.6
269.08081	3.1
271.09628	2.7
275.07007	2.9
276.07919	4.6
277.08536	3.0
278.09158	1.1
279.10025	4.0
280.10767	0.8
282.08835	2.2
290.09381	0.8
291.06699	1.1
291.10086	6.5
292.07251	2.5
292.10623	0.8
293.08002	5.5
293.11115	0.9
295.09451	0.9
296.10440	1.0
299.08997	0.9
305.08057	2.0
307.09573	4.8
308.10370	2.9
309.07471	1.1
311.12677	0.8
315.08542	11.0
319.09448	2.1
321.07526	1.1
321.10971	1.2
322.11993	0.8
322.23727	4.9
323.09225	0.8
323.12766	2.6
325.10760	0.8
325.14603	0.7
330.10922	12.3
331.11655	2.4
336.09955	2.3
337.10544	2.3
339.12274	1.2
343.11444	2.0
351.12286	4.4
353.10052	3.7
353.13898	1.1
356.12457	0.9
357.12863	0.8
368.12473	6.5
369.13132	1.0
371.14813	3.9
383.14807	34.7
385.16367	12.5
401.15884	21.6
616.32458	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	615.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54233	1.7
78.73205	1.9
88.30173	2.1
89.06013	3.8
198.83437	2.6
595.67352	2.4
615.45892	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	616.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01853	4.5
57.03437	0.9
59.04977	0.9
59.51749	0.6
61.02906	1.1
67.05503	0.7
69.03402	3.8
71.24811	0.6
78.04667	0.9
79.05466	9.7
81.03401	6.2
81.07036	1.0
85.02877	6.8
86.45625	0.8
91.05468	4.9
92.09286	0.9
95.04935	3.7
97.02873	4.7
103.05460	1.0
103.07887	0.7
105.07005	2.5
106.04182	0.9
107.04283	1.1
107.04940	19.6
110.72912	0.8
115.05424	4.8
116.06212	0.7
117.06985	11.5
121.06477	1.2
122.03623	0.8
123.04396	7.7
124.05154	5.0
125.05984	1.5
125.49046	0.7
127.03905	2.9
128.06186	2.9
129.06967	3.6
131.04916	0.8
131.08533	5.7
133.06453	1.3
137.05954	6.2
141.06935	4.6
143.08553	1.0
144.05666	4.6
145.06468	28.4
149.04836	0.7
149.05949	1.3
152.04652	3.0
153.07036	0.8
155.05966	2.5
155.07083	1.3
156.05644	11.1
157.06474	4.4
158.07227	1.0
159.08029	11.4
161.05928	4.4
167.07001	100.0
169.06357	1.1
169.07648	0.7
170.07222	3.7
171.08020	1.7
172.05106	2.8
173.05952	33.8
175.07507	1.6
177.05429	4.2
179.07004	3.4
181.04929	6.9
181.08557	4.3
184.05145	3.8
186.06755	1.1
187.07474	8.8
188.08394	0.9
190.06215	25.2
191.06998	2.6
193.08611	3.0
199.07527	3.1
199.66443	0.7
201.09090	3.0
202.06155	5.7
202.07799	1.0
203.06944	3.1
203.08644	1.3
204.07744	0.9
205.08556	34.5
208.05042	1.1
208.08786	1.2
209.08070	1.2
211.07475	1.2
212.08424	0.8
215.06929	1.6
216.07787	1.1
217.08549	44.2
218.07176	1.2
219.08067	5.0
219.10117	4.3
220.08826	1.6
221.09752	0.7
229.08537	1.3
231.08017	3.5
231.10133	10.1
232.08740	1.0
233.09573	2.7
235.07507	2.2
235.09662	5.8
236.08232	3.1
239.06946	0.8
245.09558	1.2
246.06825	1.3
247.07666	5.0
247.09616	7.3
248.08214	3.8
249.08998	1.1
249.11276	1.1
250.06183	0.9
251.10518	1.6
254.05766	1.6
260.08194	0.8
261.09061	1.5
262.09747	1.1
263.07013	1.3
263.10623	4.2
264.07721	3.9
265.08322	2.6
265.10681	9.5
266.05984	0.7
267.06516	1.4
269.08005	6.0
271.09564	3.3
275.06888	1.4
276.07806	4.7
277.08566	3.0
278.09225	1.0
279.10052	4.2
281.08047	1.0
282.08777	3.0
283.09433	0.9
290.09314	3.2
291.10117	6.6
292.07309	1.5
293.07999	4.5
293.11169	0.9
294.08694	0.8
299.09030	1.3
305.07941	1.4
307.09457	5.5
308.10294	3.8
311.12833	0.9
315.08591	15.9
315.12070	1.3
319.09546	2.6
322.11667	0.8
323.09000	0.8
323.12674	3.3
330.10910	17.7
331.11676	3.5
335.08875	0.8
336.09897	2.7
337.10590	3.1
338.07416	1.0
339.12122	3.1
343.11646	1.5
351.12238	5.6
352.12836	0.9
353.10056	2.8
368.12515	6.0
369.13120	2.7
371.14801	3.9
383.14828	38.2
385.16345	19.3
401.15811	24.5
419.16797	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	615.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55071	0.8
56.96277	1.5
56.96552	32.9
61.00963	0.8
64.22749	1.0
67.05479	1.0
69.03412	1.8
69.85715	0.8
70.98103	2.2
79.05484	1.3
81.07027	1.0
88.99115	0.9
92.08844	4.1
92.09372	1.3
93.07071	0.8
95.04906	6.5
95.08617	0.8
98.97556	67.4
113.05980	2.3
113.09101	1.0
116.50900	0.8
116.98592	81.4
119.00151	1.0
119.08565	1.0
129.99365	1.0
134.99629	73.9
140.00296	0.9
143.00093	7.7
148.00459	2.1
149.01193	1.6
153.00679	18.4
157.01721	6.1
158.01219	1.4
161.01192	12.6
163.02841	1.4
169.01697	9.1
175.02759	4.1
179.02246	1.6
185.01208	5.4
187.02731	25.8
189.04324	3.6
201.04337	4.8
203.02203	12.5
205.03847	3.9
210.04240	1.1
211.02824	1.2
219.05334	3.4
229.03809	12.0
243.05347	6.8
247.04703	7.1
261.06436	20.5
279.07437	1.1
356.80667	1.0
421.22583	1.1
429.19537	1.9
447.20432	5.5
471.20819	1.9
489.21664	3.8
507.22598	3.8
615.28198	100.0
633.29510	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	615.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81918	1.4
67.05507	1.5
75.26600	1.5
78.11243	1.6
92.08698	3.2
96.19670	2.1
166.82501	1.9
198.59023	1.9
615.29138	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	615.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	21.2
57.73170	1.2
57.89342	1.1
59.29514	1.3
61.09183	1.1
67.05490	1.2
69.03427	1.2
70.40464	1.3
71.31694	1.2
81.07042	1.7
91.05418	1.3
95.04924	2.8
95.08565	2.2
98.97555	60.6
105.07006	2.5
113.05974	2.1
116.98599	68.1
119.00147	1.4
124.99165	1.3
131.08490	2.0
134.99629	56.0
143.00151	21.9
153.00673	16.7
161.01192	35.9
168.20587	1.4
169.01706	5.5
179.02164	5.0
185.01169	5.2
187.02728	12.8
197.01225	2.8
203.02211	12.4
215.02071	2.4
229.03732	2.2
261.06326	1.9
283.23041	1.4
327.16278	5.6
345.17068	2.1
379.87640	1.4
393.16931	2.4
411.18301	3.0
427.17844	9.8
429.19278	3.1
445.18756	17.5
447.20398	7.9
453.19318	1.5
465.21564	2.7
471.20398	13.4
489.21448	30.0
507.22635	25.7
541.24835	1.9
553.45898	1.8
583.31390	1.6
615.28357	100.0
616.28595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	32.3
66.12171	0.4
67.05476	0.7
69.03394	0.9
70.98101	2.2
74.97605	0.7
76.98287	0.4
88.99145	0.9
92.09399	0.8
95.04947	3.8
96.68961	0.6
98.97556	66.1
105.07024	1.0
107.00150	0.6
113.05957	1.0
116.98592	79.6
119.00166	0.8
119.08586	0.8
124.99148	1.8
131.00223	0.8
134.99629	73.7
139.00644	2.0
140.00182	0.7
143.00139	13.2
145.01733	0.6
145.10129	0.8
148.00444	3.1
149.01195	2.8
153.00671	19.4
157.01701	6.7
158.01251	2.4
161.01175	25.9
169.01677	8.8
171.03210	1.0
175.02751	4.8
179.02278	3.6
184.02684	0.6
185.01158	9.1
187.02748	19.6
189.04370	2.9
199.02690	0.6
201.04343	3.5
203.02225	23.8
205.03857	3.5
211.02763	0.7
219.05409	2.9
221.03317	1.1
226.08763	0.5
229.03777	9.0
234.58029	0.6
243.05270	7.1
247.04875	5.2
261.06381	19.4
267.12637	0.7
279.07520	2.5
308.50601	0.6
321.13431	0.8
323.15503	0.6
367.19205	0.6
403.21777	0.7
411.18451	1.0
421.22614	0.9
429.19269	4.0
447.20535	6.8
453.19275	0.8
465.21368	1.0
471.20691	2.1
489.21298	4.4
507.22470	3.3
521.19189	0.5
615.28253	100.0
616.28613	1.1
625.31757	0.7
633.28973	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
55.30520	0.7
56.96555	23.9
57.03423	1.3
57.07070	1.4
57.24420	0.7
59.16340	0.7
62.47892	0.8
65.46981	0.7
67.05489	6.2
69.03420	9.0
69.07066	1.4
70.98073	0.8
71.04957	2.0
79.05483	1.2
81.07039	3.7
83.04952	1.0
83.08628	1.5
85.02898	5.0
85.06536	3.4
92.09392	2.6
93.07008	1.6
95.04937	8.9
95.08595	5.1
96.53114	0.9
97.02878	3.4
98.97559	57.1
100.99113	1.3
101.45316	0.9
105.07011	1.5
107.08582	1.7
109.10159	3.4
113.05981	12.6
116.73612	0.8
116.98596	68.8
119.08604	1.0
123.11714	1.1
126.36246	0.8
128.25058	0.8
131.00143	1.1
131.08643	0.9
134.99635	50.2
140.00156	0.9
143.00133	12.2
145.08598	3.7
145.10185	1.0
148.00426	1.1
149.01231	1.1
153.00681	10.8
157.01759	5.2
158.01289	0.9
161.01190	17.9
169.01697	13.6
175.02757	1.6
179.00108	1.8
179.02272	1.7
179.07108	1.7
185.01166	7.4
187.02739	31.3
187.04306	1.4
189.04327	1.8
197.01237	9.3
201.04387	1.1
203.02238	18.5
205.03833	4.1
215.02269	2.0
221.03244	0.9
229.03880	5.7
235.90414	0.8
247.04826	1.9
261.06390	8.6
279.07608	1.2
285.27811	1.9
291.62997	0.9
327.16248	7.9
345.17383	4.5
359.15097	1.8
373.23618	8.4
381.17264	3.9
393.17166	1.8
399.18567	1.4
409.16675	3.1
411.18314	7.1
417.19714	0.8
427.17819	13.6
429.19086	6.3
433.91205	0.9
445.18869	34.2
447.20438	10.2
465.21591	16.6
471.20782	5.4
489.21378	10.6
507.22598	12.1
523.24548	1.1
541.24677	7.2
555.26245	6.4
573.29291	15.0
574.30603	10.8
607.43811	1.0
615.28271	100.0
616.28717	1.2
638.73163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.96555	25.6
59.05623	0.7
61.15457	0.7
62.48056	0.8
63.78703	0.8
67.05487	1.4
69.03414	1.5
74.01163	0.7
74.97605	0.9
79.05455	1.1
93.07008	1.2
95.04957	4.5
95.08558	0.9
98.97556	59.1
100.99131	1.2
105.07009	1.4
113.05991	1.1
116.98595	67.4
117.90881	1.1
119.00163	1.0
119.08566	0.9
124.99062	1.2
125.15520	0.9
134.99634	58.1
139.00668	1.0
142.98433	0.9
143.00130	17.2
148.00388	1.3
153.00670	13.9
157.01724	3.7
158.01273	1.8
161.01187	22.2
169.01723	6.6
171.82178	0.9
175.02748	3.9
179.02246	5.6
185.01141	10.5
187.02747	13.1
189.04346	1.9
201.04359	2.0
203.02226	25.1
205.03859	1.8
219.05312	1.2
229.03764	7.5
243.05434	4.2
247.04869	4.0
261.06378	12.9
279.07394	1.2
323.15421	1.0
392.24060	0.9
403.21530	1.7
411.18488	2.0
421.22537	3.9
429.19559	4.5
447.20343	9.0
453.19101	0.9
465.21539	1.3
471.20303	2.0
489.21359	6.7
507.22220	6.2
523.23956	0.9
615.28247	100.0
633.29230	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	615.283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71928	0.9
53.41216	0.9
56.96554	32.9
64.76971	0.8
70.98105	2.2
71.95244	0.9
85.06551	1.0
95.04951	5.2
95.08587	1.6
98.97556	74.9
110.06070	1.1
113.06001	1.7
113.84190	1.2
116.98595	80.6
131.00174	1.1
133.10115	1.2
134.99637	78.1
143.00128	8.7
148.00432	2.4
149.01166	1.6
153.00676	18.2
153.34090	1.1
157.01709	4.6
158.01201	1.6
159.03320	1.7
161.01184	17.3
169.01624	8.9
175.02855	2.3
179.02318	1.9
185.01210	5.8
187.02724	21.0
189.04321	1.5
201.04327	2.5
203.02243	17.2
205.03812	4.7
210.04144	1.1
211.02760	1.2
219.05370	1.7
220.54607	1.2
229.03844	9.9
243.05438	4.3
247.04903	6.6
261.06400	16.0
281.15707	1.4
354.95694	1.3
411.18414	1.4
421.22604	1.9
429.19559	5.1
447.20514	8.6
465.21399	1.6
471.20758	4.0
471.86072	1.2
489.21515	11.0
507.22528	6.3
615.28223	100.0
616.28296	1.6
633.29211	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	615.2446
Annotation	Chlorophyllide a
Peak:m/z	Relative Intensity
53.03921	1.3
65.03949	6.0
65.04210	0.7
67.05463	1.0
69.03398	0.8
69.07050	1.2
72.67727	0.6
74.36382	0.6
76.56512	0.6
77.94440	0.6
79.05460	1.5
81.03368	1.0
81.07033	1.3
91.05458	0.9
92.04977	6.4
93.07009	1.1
94.06530	11.0
95.04927	3.4
95.08587	1.6
104.04958	6.1
105.07012	1.3
106.06533	2.9
108.04443	12.3
108.08087	1.0
110.05990	0.9
118.06516	0.9
120.04457	1.3
120.08086	1.4
122.06008	1.1
131.07355	0.8
132.04404	0.9
134.05984	34.9
135.11681	0.7
136.07549	13.3
138.05481	30.1
138.06526	1.7
138.09114	13.5
143.08607	1.0
144.08055	1.1
145.10121	1.4
146.05972	5.7
148.07613	0.8
150.09077	1.0
152.03377	3.1
154.08685	1.0
156.08055	0.8
157.08876	0.9
157.10121	1.7
158.05954	0.8
159.11639	0.9
160.03946	2.9
162.05479	3.2
163.04936	2.8
164.07089	1.6
166.04953	23.0
169.07578	1.2
169.08841	1.7
170.09633	3.0
171.09126	1.1
174.09219	1.1
178.04950	100.0
180.06587	5.1
180.07991	0.9
181.07503	1.0
182.08307	1.2
182.09700	1.0
183.09134	12.9
184.09866	3.5
184.11215	4.3
185.10727	8.9
186.12802	1.7
187.12402	1.3
188.10771	1.0
194.09630	1.2
195.09097	1.7
196.09911	3.7
197.10727	6.3
198.09192	3.0
198.11559	1.0
199.08617	1.7
199.12308	1.3
200.10742	1.0
201.10236	3.3
201.13846	2.8
207.09138	7.2
208.09933	4.8
209.10712	7.4
210.11461	19.5
211.08604	6.3
211.12164	6.4
212.10863	10.3
213.10112	5.7
213.13876	4.0
214.12558	7.4
215.11768	1.3
223.08531	1.7
224.09448	3.4
225.10147	14.0
226.08766	1.2
226.10919	1.2
227.08128	1.8
227.11777	6.6
228.08960	3.7
229.09724	10.3
229.13252	10.8
230.11726	10.7
237.10172	0.9
239.08090	7.2
239.11742	6.0
240.10168	4.0
241.09491	5.3
241.13341	1.4
242.11693	5.6
243.11206	18.2
244.09631	3.6
245.12714	11.7
250.07158	1.3
251.08125	3.8
253.09631	18.1
253.12099	1.1
255.11273	9.3
257.09253	4.6
257.12784	34.1
259.14426	1.8
264.28546	0.8
265.09488	0.9
267.11301	7.5
269.09369	1.4
269.12845	7.8
270.09906	1.0
271.10721	36.8
272.08435	1.5
272.11484	48.9
273.08710	1.3
273.12323	5.8
274.09354	0.9
275.13843	1.3
279.07489	5.6
283.07101	1.5
283.10727	3.8
285.12256	71.0
286.12607	0.9
287.13858	4.7
295.10736	5.2
297.08603	1.5
298.09457	3.1
299.10156	2.4
301.11749	43.9
303.13315	43.4
307.07108	7.3
313.11798	12.1
315.09747	4.5
329.11261	4.0
331.12827	0.9
335.14847	0.7
339.09824	1.1
357.10638	2.7
420.19046	4.6
438.20193	11.8
444.15524	1.5
450.16864	2.5
462.16638	1.0
523.85547	0.8
527.23022	0.9
529.23999	5.2
537.21576	0.8
549.19904	0.8
569.23993	6.8
571.16284	1.1
571.25397	44.1
579.22150	7.9
597.23303	37.3
615.24280	82.0
616.24408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26193	1.9
55.05499	4.5
57.06810	4.1
57.07067	69.3
59.95146	2.0
67.05490	10.5
69.07052	13.2
71.08615	50.2
73.06553	3.6
77.51729	2.0
79.05486	3.0
80.72962	2.2
81.07026	3.0
83.08594	3.7
85.10162	28.6
87.04440	6.0
89.06010	100.0
91.05463	3.6
92.08685	10.9
92.09315	7.9
93.07021	5.7
95.08557	4.4
96.05616	2.3
97.10135	3.6
99.11714	3.1
113.13260	2.7
117.09088	3.6
120.20374	2.7
121.10122	2.6
126.58874	2.6
127.14789	2.6
133.08591	41.0
145.10226	2.5
147.11671	3.0
171.74341	2.2
177.11215	15.9
188.13480	2.4
221.13683	3.5
268.61475	2.7
271.26123	3.5
283.17429	3.3
315.29034	3.8
377.96616	2.4
415.25415	10.4
459.75311	2.5
574.39832	3.2
597.45679	27.4
614.48029	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	615.244
Annotation	C11829
Peak:m/z	Relative Intensity
53.95581	0.8
54.61402	0.7
64.34562	0.9
65.03912	2.1
67.05460	1.5
79.05473	1.6
81.07025	1.7
92.04974	1.9
93.07015	2.0
94.06567	9.4
96.60378	1.1
104.04964	4.3
106.06499	1.2
107.81660	1.0
108.04430	9.0
131.08711	1.0
134.05991	29.3
136.07523	7.9
137.05930	1.2
138.05452	18.6
138.09090	8.6
146.05930	2.2
152.03409	1.8
156.08086	1.5
163.04982	2.3
164.07054	1.7
166.04984	16.0
167.54414	1.0
170.08376	1.4
178.04955	58.1
180.06554	2.5
183.09138	6.3
184.09836	4.3
184.11272	2.0
185.10744	2.3
187.06299	1.0
192.01903	1.0
196.09921	1.4
197.10733	3.9
198.09164	1.7
199.12303	2.1
207.09190	4.8
208.09976	1.8
209.10722	5.9
210.11496	17.0
211.08559	5.0
211.12224	5.2
212.09119	3.7
212.10684	6.4
213.10161	5.3
213.13795	2.0
214.12250	6.3
225.10135	6.6
226.08701	1.4
226.10822	1.5
227.11707	6.8
228.08826	1.8
229.09657	5.0
229.13252	5.3
230.11699	4.6
239.08070	5.6
239.11749	4.6
240.10091	4.8
241.09720	5.0
241.13313	1.3
242.11702	4.3
243.11191	9.9
245.12766	8.4
251.08188	1.4
253.09599	8.0
255.11104	9.8
257.09210	1.9
257.12756	17.8
267.11160	5.1
269.09341	1.3
269.12790	7.9
271.07898	1.3
271.10699	28.4
272.11496	27.9
273.08774	1.6
273.12192	8.6
279.07373	1.8
283.10754	6.9
285.12250	38.5
287.13809	2.3
295.10614	1.3
299.10190	3.8
301.11749	77.4
303.13336	21.8
307.06995	4.8
313.11792	7.2
315.09769	1.5
329.11261	1.9
406.17511	2.2
420.18854	5.1
436.18564	2.1
438.20184	6.2
529.24347	2.2
569.23846	20.3
571.25385	33.5
579.22247	2.2
597.23352	34.2
615.23749	23.0
615.31085	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	614.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82041	3.5
55.05496	33.4
57.03425	16.3
57.07066	5.7
59.04984	5.7
62.31698	4.3
64.71911	3.3
67.05493	61.0
69.07049	35.4
79.05467	45.5
81.03400	100.0
81.07030	62.2
81.07423	4.9
83.04955	6.5
83.08606	28.6
85.06548	7.1
89.06009	22.8
91.05433	29.6
93.07026	43.3
95.04926	28.8
95.08587	54.5
97.06531	4.3
97.10178	9.0
105.07001	35.6
107.04974	6.9
107.08572	24.4
109.10135	26.3
109.77431	3.2
111.08061	4.5
115.97050	4.2
117.06970	4.0
119.08556	24.6
121.06510	5.0
121.10125	18.4
123.11674	5.2
125.05988	5.4
127.41615	4.1
129.06973	7.6
131.08542	16.2
133.08586	7.4
133.10127	15.4
134.49326	4.0
135.08093	3.5
135.11681	5.0
143.08548	7.6
145.10138	8.1
147.08040	3.8
147.11633	15.8
149.09612	6.4
150.38829	3.8
153.86830	3.8
155.08435	4.0
157.10121	19.7
163.11214	4.8
169.09991	3.6
171.11670	5.6
175.11110	5.5
189.07373	3.7
193.12216	20.1
201.22012	3.5
257.91281	4.9
263.23615	5.0
267.15878	56.3
334.60190	3.9
337.27322	47.0
415.25333	8.4
529.38812	52.6
547.39685	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81735	1.0
55.05513	1.5
56.96572	0.9
57.07068	9.7
58.06596	1.4
67.05497	6.5
69.07058	5.0
70.06578	23.0
71.08606	4.4
75.98756	0.8
79.05480	1.9
81.07062	6.0
88.07614	25.9
88.08112	1.7
92.08649	1.8
93.07030	1.8
95.08595	4.1
95.66449	1.2
102.09164	19.6
104.45336	0.8
105.03373	0.9
105.07008	1.4
107.08572	1.3
109.10138	1.3
109.31139	1.0
121.10125	1.3
149.02318	65.4
171.11676	1.1
188.78758	1.0
193.04938	82.1
256.26288	44.1
269.04510	1.4
297.04120	3.7
313.07031	4.3
337.27368	12.2
341.06470	10.2
351.08481	1.0
359.07770	5.4
385.09088	56.4
395.38397	1.1
614.33130	100.0
615.33862	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	614.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
53.22448	2.2
55.05504	37.2
57.03424	23.9
57.07076	5.5
59.04967	2.7
61.37917	2.3
67.05487	74.5
69.03418	4.2
69.07054	27.1
71.04954	2.9
73.45162	2.7
79.05467	38.8
81.03397	100.0
81.07031	77.9
83.04957	6.3
83.08594	26.0
85.06525	6.4
87.11543	2.9
89.06016	20.8
91.05454	32.1
93.07012	36.8
94.07345	2.7
95.04936	28.9
95.08588	55.5
97.06520	5.8
97.10136	5.2
105.07011	31.8
107.04932	4.5
107.08588	19.2
109.10136	22.4
111.08038	5.7
115.05379	2.8
117.06992	5.4
119.08558	34.7
121.10126	19.2
123.11678	6.0
129.06946	13.8
131.08546	20.1
133.06465	3.5
133.08600	6.2
133.10085	14.7
135.11638	3.7
137.09601	4.0
145.10138	10.4
147.08011	4.8
147.11685	16.8
149.09586	3.6
151.11110	3.5
157.10112	16.0
159.11580	4.5
163.11166	4.7
175.11195	4.9
181.12320	3.5
193.12245	23.5
267.15842	74.5
286.05911	3.2
337.27280	52.7
338.14148	3.1
415.24951	10.2
522.68304	3.1
529.38843	54.0
547.39783	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	614.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11724	0.3
53.03932	0.9
54.81527	0.4
55.01856	0.7
55.05505	0.6
57.03173	0.6
57.03430	13.3
57.31496	0.3
67.05484	0.7
69.03403	1.9
69.07031	0.7
71.04975	0.9
73.02906	6.2
75.04461	35.8
78.04690	1.7
79.05472	6.9
81.03391	6.2
81.07025	2.6
83.04948	2.2
85.02885	5.7
85.06542	0.4
87.08836	0.3
91.05462	4.2
93.07035	2.0
95.04936	3.6
95.08580	0.9
97.02866	0.6
101.06037	0.4
103.05446	1.9
105.03349	0.5
105.07001	2.3
106.04153	0.9
107.04938	17.2
107.08568	0.6
109.10147	0.6
111.04443	2.8
115.05423	4.2
116.06188	0.6
117.06996	11.3
119.04939	0.5
121.06475	2.2
121.10128	0.8
123.04401	7.5
123.13840	0.4
124.05168	5.1
125.05988	1.7
128.06213	3.3
129.05482	0.6
129.07002	3.9
131.04930	1.6
131.08553	4.6
132.05736	0.4
133.06464	2.4
134.03604	0.6
135.04393	0.5
135.11646	0.5
137.05888	1.4
140.04666	0.7
141.06985	3.2
143.08563	2.4
144.05670	3.7
145.02838	0.5
145.06473	23.0
145.10048	0.4
147.04471	1.7
147.08067	0.6
151.03865	1.7
152.04732	3.4
152.05836	0.4
153.05457	0.6
153.06976	0.9
154.07687	0.4
155.05971	1.9
155.07034	3.7
156.05681	14.0
157.06473	4.6
158.07274	0.9
159.08029	9.5
161.05943	3.8
163.03857	0.6
166.06218	0.5
167.07004	100.0
168.07339	0.6
169.06371	2.0
170.07204	4.9
171.08028	4.1
172.05159	0.5
173.05951	34.3
174.06644	0.8
175.07457	1.8
177.05435	2.5
179.07011	3.2
181.06410	0.4
181.07098	0.5
181.08566	5.7
184.05109	3.9
185.05925	0.9
186.06728	2.0
187.07500	9.4
188.08278	0.7
190.06223	20.0
191.06952	2.1
191.87302	0.4
193.08540	2.2
198.06793	1.6
199.07501	3.9
200.08203	0.6
201.09070	1.7
202.06213	6.5
202.07838	1.0
203.06935	3.8
203.08650	0.9
203.10448	1.2
204.07736	0.9
205.08565	32.0
207.06400	1.0
208.05237	0.8
210.06696	0.7
211.07452	0.8
215.06961	4.0
216.07729	1.9
217.08562	55.0
218.07133	1.9
218.08997	0.7
219.07988	3.7
219.10147	2.9
220.08765	1.0
221.06093	0.7
229.08545	2.1
230.07248	0.5
230.79373	0.5
231.08026	2.3
231.10106	21.4
232.08833	0.9
233.09584	2.7
235.07446	1.0
235.09456	5.9
236.08305	2.2
244.72853	0.5
245.09616	0.8
247.07462	3.7
247.09622	9.8
248.08260	3.8
249.08885	0.8
249.11206	2.9
251.10632	0.9
259.07678	0.5
260.08322	0.4
261.09073	2.8
262.09750	1.9
263.06964	1.9
263.10629	2.6
264.07831	3.2
265.08371	0.9
265.10693	8.7
269.08072	3.1
271.09625	1.5
275.06964	2.8
276.07813	2.0
277.08572	2.2
278.09201	1.0
279.07071	0.7
279.10101	3.5
281.08014	0.7
282.08875	0.8
289.08490	0.6
290.09250	1.8
291.10117	4.8
292.07315	0.8
293.07990	3.5
293.11203	0.7
294.08994	0.8
295.09628	0.8
296.10233	0.5
299.08859	0.7
301.06870	0.5
305.08179	0.8
307.09579	3.7
308.10321	1.7
309.11169	0.7
310.08362	0.5
311.12881	0.7
315.08676	5.5
319.09723	1.6
320.10202	0.5
321.07538	0.7
321.11172	1.0
322.08392	0.4
323.09094	0.6
323.12708	1.8
325.10513	0.5
330.10840	5.7
331.11664	0.9
336.09720	0.9
337.10556	3.5
339.12119	2.4
343.11600	0.6
350.11386	0.5
351.12247	2.7
352.13052	0.7
353.10052	2.4
353.13586	1.2
356.12500	0.7
368.12585	4.5
369.13593	0.5
371.14951	2.1
383.14838	22.0
385.16394	21.4
401.15857	11.5
632.48059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01035	0.2
53.03928	1.2
55.01854	0.7
55.05495	1.2
57.03416	0.6
57.04020	0.3
60.19797	0.3
61.02904	0.5
61.91703	0.3
65.03925	4.0
67.05482	2.0
69.03416	2.7
69.07050	0.5
71.04976	0.6
71.07948	0.3
79.05476	12.0
81.03403	3.7
81.07027	2.7
82.04177	1.4
85.02890	7.6
87.04430	0.4
91.05457	3.5
92.09354	0.6
93.03376	1.3
93.07009	0.8
94.04208	0.4
95.04948	4.1
95.08594	1.4
97.02863	2.1
97.06522	2.6
99.04395	0.4
103.05430	1.4
105.07022	2.1
106.04162	0.5
107.04940	45.2
107.08596	1.3
108.02061	0.4
109.02874	0.7
109.06512	1.3
109.10132	1.2
110.03628	2.2
111.04425	2.3
114.03161	0.3
115.03975	0.4
115.05424	4.2
116.06214	0.3
117.03313	0.3
117.07008	5.5
119.04942	0.7
119.08566	1.5
121.06487	1.5
121.10078	0.6
122.03631	0.5
123.04407	2.0
124.05193	7.4
125.05962	6.0
125.09617	0.3
127.03895	1.4
128.06183	0.4
129.06989	3.7
131.04918	1.9
131.08539	1.8
132.05681	0.3
133.02812	0.5
133.06467	4.4
133.10143	0.6
134.03603	0.3
135.04337	0.6
135.11644	0.5
137.05988	2.4
137.09660	0.5
138.03123	1.6
139.07498	0.5
140.04671	0.3
141.06972	1.8
142.01665	0.3
142.02583	2.8
143.04924	1.2
144.05682	3.2
145.02838	2.3
145.06482	13.6
147.04373	1.5
147.08049	1.5
149.05983	2.0
151.03880	0.4
151.07512	0.4
152.04674	3.2
153.05467	2.0
155.04861	1.2
155.06044	2.1
155.07155	0.4
156.05658	0.5
157.06473	4.3
159.04381	0.4
159.08022	3.1
160.05170	0.5
161.05946	8.0
163.03856	0.5
165.05455	0.3
166.02612	0.7
167.07005	100.0
169.07649	0.3
171.04367	0.7
171.05070	0.4
171.06514	7.5
172.05154	4.3
173.05966	7.4
174.06741	0.7
175.07497	3.5
177.05458	4.0
177.09042	1.1
181.04927	98.8
182.05276	0.3
183.04436	0.5
183.06488	0.5
185.05936	1.8
187.03918	0.3
187.07500	8.0
189.05455	5.6
190.06215	3.5
191.06976	1.6
191.08885	0.3
191.10588	2.9
193.04929	0.8
193.08618	0.7
195.06519	2.9
200.04698	1.4
201.05405	9.4
202.06140	0.7
203.03305	0.5
203.06941	2.8
205.04808	0.4
205.08549	7.0
206.05661	3.0
207.06479	0.7
207.10170	1.6
213.05457	1.5
217.08566	2.1
218.05659	6.6
218.09213	0.4
219.06383	3.0
219.10031	3.1
221.08018	6.8
223.07590	0.4
231.06477	1.5
233.08038	37.6
234.08701	0.5
235.07562	1.2
235.09602	17.1
245.05943	0.4
245.08075	2.8
247.07494	0.4
249.05299	0.4
251.09042	10.2
262.06357	0.4
263.06915	0.8
263.09152	7.9
264.07858	0.6
265.08414	0.5
274.06427	0.4
277.08524	0.7
279.06564	0.5
279.10199	0.8
280.07272	0.7
281.07614	0.4
281.10242	3.2
291.06503	0.6
292.07257	0.5
293.08023	1.1
294.08969	0.4
295.09686	0.5
303.04788	0.5
304.05255	0.5
306.05801	0.4
307.09634	1.7
308.06824	0.4
309.07483	0.5
323.09125	1.6
327.12347	0.7
331.08014	2.0
335.09003	0.6
337.10730	0.6
339.12198	1.3
344.12488	0.5
346.10306	0.7
349.10400	0.4
353.09970	0.5
355.11633	3.2
367.11670	2.1
369.13403	0.5
371.14822	0.5
372.11728	0.5
381.13174	1.3
384.11911	0.7
387.14264	4.4
399.14368	5.8
402.13168	0.4
405.14807	0.5
417.15347	56.0
418.15915	0.8
435.16434	8.1
487.21536	0.4
641.22406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4818
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.29734	6.0
55.05504	12.1
57.07058	7.6
61.79250	7.3
67.05504	67.5
69.07055	14.3
74.31774	7.2
75.47641	7.0
78.67107	7.6
79.05477	48.6
81.07040	75.9
83.08575	11.7
93.07037	65.4
95.08595	46.6
105.07006	18.1
107.08558	41.8
109.10113	17.8
117.07011	10.1
119.08540	15.3
121.10094	32.7
131.00894	7.6
131.08521	20.0
133.10104	14.1
145.10130	9.9
147.11630	13.0
159.11670	13.2
171.11734	8.6
173.13051	7.5
408.06998	9.5
434.93231	8.8
595.47485	15.0
613.48218	100.0
641.26392	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	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.93950	1.5
53.03925	2.0
55.05505	34.8
57.03418	11.8
57.07064	3.2
57.80515	2.4
58.12350	1.9
67.05143	2.7
67.05492	77.2
69.07056	28.8
71.04980	2.5
78.34249	2.1
79.05474	51.1
81.07037	84.7
83.04961	2.3
83.08596	13.5
89.42023	2.2
91.05459	40.5
93.07027	59.6
95.04953	4.3
95.08011	2.8
95.08588	69.3
97.06482	2.4
97.10123	8.6
100.66259	2.3
103.05371	2.7
105.07012	43.0
107.08579	36.9
109.10134	34.5
111.08035	3.0
111.39011	2.2
117.06998	21.0
119.08562	41.6
121.10120	27.8
123.11681	12.9
126.00076	2.1
129.06981	9.6
131.08551	31.9
133.10100	32.8
135.11653	17.8
143.08533	5.0
145.10107	25.8
147.11668	20.8
149.13231	10.4
157.10092	11.0
159.11621	19.6
161.13202	12.6
171.11673	4.7
173.13219	15.3
175.14784	3.4
185.13251	8.1
187.14792	8.4
189.16458	3.2
199.14807	3.2
201.16302	4.9
230.29489	2.1
259.20709	8.5
261.22021	10.0
333.24121	3.0
335.25787	12.7
337.27161	9.7
377.04230	2.3
521.42743	4.4
595.46545	13.5
610.50793	2.7
613.48187	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	613.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.8
53.03941	0.8
55.05503	20.9
57.03424	6.7
57.07069	19.7
57.25544	0.7
59.04984	1.0
61.87423	0.8
67.05493	40.7
69.03416	13.0
69.07056	56.4
71.04977	16.9
71.08619	10.5
75.88853	0.7
76.03992	3.5
79.05480	15.0
81.07041	86.2
83.04954	1.7
83.08606	35.0
85.02889	12.6
85.06552	6.3
85.10160	2.0
87.04449	7.7
91.05459	4.5
92.09324	1.5
93.07024	26.5
95.04965	0.9
95.08586	100.0
96.08919	0.9
97.02878	10.7
97.06534	1.3
97.10146	19.8
99.04453	0.9
99.08075	3.1
105.07021	3.4
107.04935	1.9
107.08583	24.0
109.02873	0.9
109.06516	1.2
109.10143	79.4
111.08096	1.4
111.11703	9.4
113.09638	3.2
115.03895	4.9
119.08569	1.9
121.10122	26.7
123.11688	29.3
125.09614	1.8
125.13267	4.0
127.03881	0.9
127.11192	1.0
129.09143	1.1
133.04926	3.4
133.10135	1.0
135.11659	27.3
137.05890	1.0
137.13239	16.3
139.11154	2.0
139.14796	1.1
145.06497	1.5
145.10051	1.5
145.12195	1.6
147.11697	1.2
149.13232	15.1
151.14818	7.0
161.13242	1.2
163.03989	0.8
163.14819	8.5
165.16347	5.3
167.07010	6.0
168.07451	0.8
170.24583	1.0
173.06029	1.2
177.16383	7.9
181.04941	1.9
185.12933	1.0
189.36714	0.8
191.17917	8.4
201.18488	4.6
205.08673	0.9
247.24165	21.1
265.25226	14.6
283.26270	24.4
284.22214	3.4
301.27322	49.3
319.28336	11.7
338.21869	1.2
367.24426	0.9
631.62042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02469	0.9
56.96555	38.5
57.28896	0.7
57.38085	0.8
62.37326	0.9
63.46342	1.0
71.95248	1.0
84.96003	6.6
98.97556	91.0
99.05540	1.3
110.97567	4.1
112.99110	24.4
114.36801	1.0
116.98591	66.3
128.98586	11.2
131.00137	54.3
134.72911	1.0
134.99635	31.4
136.41698	0.9
140.00175	2.1
140.98563	1.1
143.00148	12.5
144.54379	0.8
146.99637	11.6
149.01193	72.2
152.98479	1.6
153.00719	4.3
155.00191	0.9
157.01617	1.3
158.01227	1.0
158.99615	27.9
161.01175	18.7
162.99112	2.0
165.00690	1.8
167.02225	16.0
170.99599	3.5
173.01233	9.2
175.02785	2.3
177.00673	66.9
179.02328	1.7
185.01181	4.8
189.00676	7.2
191.02231	9.9
195.01678	8.4
199.02681	9.5
200.02269	1.1
203.02209	7.8
209.01199	3.8
215.02246	1.7
217.03877	8.5
217.07414	1.1
219.01761	8.2
227.02158	7.0
231.08838	1.1
233.03288	5.5
237.02803	6.6
245.10486	1.6
275.04199	10.1
293.05396	41.9
311.06464	10.2
316.07034	1.8
317.17792	100.0
318.18280	1.3
335.18839	57.8
358.20526	5.1
377.19803	6.8
391.21231	1.5
403.20981	1.2
497.24011	5.7
553.26709	77.7
613.29199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.8
56.96555	32.9
60.80254	1.1
84.96021	2.8
88.51807	1.3
93.07060	1.2
98.97556	76.7
100.11311	1.3
110.97561	2.2
112.99104	21.6
116.98598	69.5
121.35901	1.2
128.98576	7.3
129.61813	1.2
131.00136	52.4
134.99634	31.2
140.00171	1.5
143.00134	9.3
146.99625	10.5
149.01204	64.6
149.02412	2.3
152.98514	1.7
153.00696	1.8
155.00278	1.3
157.01701	1.2
158.99608	27.5
161.01189	14.7
162.99112	1.9
167.02269	13.2
170.99632	3.0
173.01208	5.7
175.02727	2.5
177.00677	57.9
179.02266	2.8
185.01227	3.0
189.00670	6.3
191.02216	12.0
195.01697	7.7
199.02785	8.5
200.02243	2.2
203.02252	7.1
209.01250	2.0
215.02269	2.4
217.03784	5.2
219.01724	7.6
227.02310	2.6
237.02744	4.9
275.01642	1.4
275.04138	8.8
293.05353	34.6
308.32968	1.3
311.06430	7.0
316.07089	1.5
317.17792	100.0
335.18875	48.0
345.65891	1.3
358.20770	2.0
377.19879	7.7
497.24142	2.9
553.26740	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08105	0.6
54.81713	0.8
56.21070	0.7
56.96559	33.7
66.32001	0.7
68.21284	0.7
69.03403	0.8
69.07048	0.8
70.98102	3.1
71.95242	1.0
79.05492	0.8
84.95999	0.7
88.99168	1.0
93.07063	0.8
95.04950	3.8
98.97563	63.8
100.99135	1.2
107.00197	1.0
112.99164	0.9
114.36481	0.8
116.98601	82.4
119.00187	0.8
124.99126	1.2
131.00153	3.9
134.99635	75.0
140.00247	0.9
143.00131	17.3
143.01158	1.0
148.00433	1.4
149.01190	1.4
153.00677	16.6
157.01743	5.1
158.01280	1.2
161.01195	25.3
169.01683	9.6
175.02753	3.8
179.02295	3.6
184.02919	0.8
185.01227	8.4
187.02734	18.9
189.04384	1.7
201.04314	3.2
203.02251	26.6
203.03995	1.2
205.03816	4.3
219.05426	1.4
221.03250	0.8
229.03860	8.6
231.17636	0.8
243.05336	6.5
247.04846	5.6
261.06430	16.4
279.07513	1.3
401.13483	0.8
445.19077	1.8
463.20032	3.9
469.18710	0.9
482.24057	1.1
487.19879	5.5
487.36240	0.8
505.20847	7.6
539.23297	1.8
613.26721	100.0
614.27606	1.9
631.27612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76207	2.6
53.30454	2.7
55.05503	35.6
57.03434	3.5
57.07058	11.6
58.99012	2.9
62.39937	2.9
67.05486	81.8
69.07045	34.4
71.04974	3.4
79.05461	30.7
80.65176	3.1
81.07033	100.0
83.08611	26.1
85.75807	3.2
91.05457	15.9
93.07009	55.5
95.08578	83.6
97.06483	5.7
97.10144	17.1
104.49680	3.0
105.06995	21.1
107.08558	27.9
107.09195	3.2
109.10152	45.3
111.07966	3.7
117.06991	5.0
119.08553	17.9
121.10126	27.5
123.11691	15.0
131.08545	13.3
133.10135	7.3
135.11661	17.4
139.11133	3.1
145.10072	5.9
147.11685	7.7
149.13211	4.8
152.94730	3.6
163.14864	4.1
234.13002	3.2
261.22073	14.7
263.23657	5.9
279.23154	31.5
283.74432	3.3
297.24005	12.5
320.23300	3.6
541.45776	16.1
559.46899	16.8
560.68976	3.3
577.48120	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	613.268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	33.4
58.13394	0.5
61.75707	0.6
67.01285	0.6
67.05486	0.7
69.03415	1.7
70.98096	1.5
71.73409	0.6
73.44878	0.9
73.91449	0.6
76.56443	0.6
79.05436	0.6
81.07060	0.7
83.89899	0.7
85.75703	0.7
88.99152	1.5
91.05476	2.7
95.04962	4.4
98.97563	78.5
100.99122	0.8
102.34483	0.8
108.98228	0.6
112.99098	1.0
113.05983	0.8
116.98598	100.0
119.00201	1.0
124.99133	1.5
130.08101	0.7
131.00180	1.5
131.62776	0.7
134.99635	76.1
139.00610	0.7
140.00180	1.6
143.00140	18.6
145.01659	0.8
148.00403	1.4
149.01212	3.2
153.00688	18.8
157.01727	5.7
158.01245	4.2
161.01167	26.2
169.01715	8.2
175.02802	5.8
175.07536	1.2
179.02255	4.1
185.01190	11.5
187.02750	18.0
187.04305	1.0
189.04355	1.7
201.04378	4.3
203.02245	27.8
205.03848	3.6
219.05403	2.4
229.03773	10.3
243.05333	6.6
247.04848	6.2
261.06403	17.3
279.07742	1.2
321.13834	0.9
372.48563	0.9
424.64267	0.8
425.16614	1.4
427.17819	4.2
443.17291	7.3
445.18890	1.3
463.20065	4.6
469.18985	4.2
487.19980	9.4
505.20984	4.9
539.22589	1.0
571.25824	1.1
613.26746	92.7
614.26880	1.4
631.27667	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	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82937	1.7
53.03954	2.7
55.01852	2.9
55.05508	33.6
57.03421	22.0
57.07064	2.8
60.96863	2.2
62.58562	1.8
65.03904	2.4
66.68564	1.9
67.05141	4.1
67.05492	95.7
68.05847	2.5
69.07046	23.3
71.04984	2.7
72.16782	2.1
79.05483	64.1
81.03400	100.0
81.07034	86.7
82.07410	2.0
83.04954	9.4
83.08595	23.3
87.04475	2.5
88.55121	1.9
91.05457	57.8
93.07023	73.9
94.07353	2.7
95.04954	29.8
95.08582	56.7
97.06539	3.6
97.10162	8.4
105.07025	41.6
107.04927	4.9
107.08586	30.7
109.06538	8.2
109.10139	21.5
111.08089	2.6
117.06980	15.9
119.08567	37.8
121.10116	28.5
123.11727	4.2
129.07004	17.1
131.08539	22.7
133.10098	21.4
135.11684	18.4
142.07690	2.7
143.08560	3.7
144.94695	2.0
145.10118	13.3
147.08046	3.4
147.11653	19.3
149.09584	4.6
149.13277	10.1
156.03043	2.1
156.35458	2.0
157.10130	18.6
159.11667	9.3
161.13225	4.7
169.10098	3.1
171.11673	3.1
173.13237	4.4
175.11157	10.1
185.13229	2.1
187.14769	3.2
193.12303	16.0
230.75345	2.3
254.99561	2.1
261.22028	10.1
267.15860	66.2
290.79184	2.3
335.25742	60.9
336.25974	3.8
527.37213	43.0
545.38110	24.3
611.46686	2.9
612.46771	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	612.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82034	1.5
55.01865	2.9
55.05497	8.4
57.03431	3.8
59.04991	2.1
62.23524	2.1
67.05488	17.6
69.03407	10.8
69.07051	17.9
71.04965	36.0
79.05466	8.7
81.03414	4.4
81.07033	36.0
83.04984	2.7
83.08589	4.1
85.02885	23.6
85.06522	4.0
86.09708	2.3
87.04449	3.7
91.05448	13.3
93.07013	37.7
95.04961	25.6
95.08585	22.9
97.02864	11.6
97.06502	4.7
99.08059	4.5
105.07026	31.0
107.08574	72.7
109.06536	4.7
109.10143	41.1
111.08070	26.6
117.06947	3.0
119.08568	31.0
121.10123	20.9
125.09612	30.2
127.03947	3.9
131.08548	13.8
133.10080	15.7
135.04378	3.3
135.08063	3.4
135.11684	32.8
137.05966	3.4
143.08556	2.9
145.02843	8.5
145.04912	3.2
145.10086	25.8
147.04396	3.1
147.08000	3.3
147.11662	60.5
149.09642	2.5
149.13202	3.5
153.12709	42.8
157.10153	4.1
159.11667	3.4
161.09637	3.1
161.13255	4.9
163.03848	16.5
163.11130	2.1
165.09229	2.4
167.07028	3.0
175.11168	3.4
177.05443	9.2
189.16376	20.4
199.14841	2.5
201.09114	2.4
217.15868	21.6
219.10185	4.5
235.16826	48.5
235.58492	2.2
253.17908	100.0
265.17783	2.5
265.21756	2.4
283.19003	3.5
303.04987	2.6
304.05200	3.5
318.87848	2.2
337.57101	2.3
351.23999	3.0
359.73355	2.6
373.23761	2.2
379.21252	3.6
397.22122	3.4
415.23160	3.4
418.54309	2.1
463.86734	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	612.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45619	0.9
51.55922	0.8
53.00298	2.3
53.03925	1.4
55.01863	1.4
55.05499	6.5
57.03432	2.0
57.07067	1.2
59.04991	4.6
61.02916	1.2
67.05492	15.8
69.03417	9.1
69.07049	12.5
71.04976	33.6
73.06524	1.9
79.05466	9.9
81.03393	4.3
81.06592	1.9
81.07040	36.3
83.04969	4.6
83.08608	4.4
85.02888	22.5
85.06527	1.7
87.04463	1.7
89.06023	1.9
91.05457	11.9
93.07018	33.6
93.07561	1.8
95.04943	23.4
95.08582	17.8
97.02874	8.5
97.06525	2.1
97.10155	1.5
98.97499	1.2
105.03372	1.3
105.07014	25.5
107.08578	61.5
109.02850	1.6
109.06504	5.4
109.10149	34.4
111.08066	22.9
117.03302	1.3
117.06995	1.6
119.04891	1.1
119.08559	26.3
121.10117	20.3
123.08064	1.9
123.11671	5.0
125.06010	1.2
125.09613	31.9
127.03896	7.2
127.11177	1.5
129.07004	1.2
131.04866	1.1
131.08553	12.6
133.06544	1.2
133.10109	17.0
135.04427	2.6
135.08075	1.4
135.11655	38.7
137.05959	5.0
137.13144	1.2
139.11192	1.4
143.08563	4.4
145.02823	5.2
145.05074	1.2
145.10106	22.2
147.04379	2.4
147.08029	4.6
147.11671	56.4
149.09642	2.5
149.13232	5.0
153.12714	37.3
157.10112	7.1
159.11674	7.1
161.09598	1.6
161.13272	2.1
163.03824	10.5
163.11154	5.0
165.12743	5.4
167.07008	3.9
173.09508	1.3
173.13281	2.5
175.11156	6.1
175.14799	6.2
177.05455	4.9
179.10666	1.6
181.04897	2.0
187.14755	1.6
189.16362	25.5
191.17932	1.9
193.15822	1.9
199.14761	2.6
207.17384	4.3
217.15822	25.5
219.10141	2.3
235.16891	51.3
253.17932	100.0
271.19186	1.1
303.04904	2.3
304.05368	1.2
359.74045	1.1
379.21014	2.0
397.22174	6.9
415.23169	4.4
563.70892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21152	2.7
51.11227	2.8
52.93464	2.8
55.05502	27.0
56.58315	2.9
60.11914	2.7
67.05490	80.3
69.07062	33.6
71.04952	5.6
71.08562	3.4
71.40862	3.1
79.05462	37.8
81.06593	6.3
81.07034	100.0
83.08604	19.5
85.06527	4.1
91.05464	21.4
92.09081	14.9
93.07017	53.4
95.08578	85.9
97.06500	5.5
105.06997	19.2
107.08555	32.8
109.10121	37.5
119.08585	13.9
121.10105	26.3
123.11662	8.0
131.08571	5.2
133.10095	16.1
135.11650	13.7
137.13191	3.5
139.11142	3.9
141.03497	3.6
145.10068	3.8
147.11641	6.8
158.37703	4.4
161.13197	7.9
175.94537	3.5
187.14771	3.5
261.22034	20.1
279.23083	54.2
297.24081	18.8
414.16794	3.6
502.31445	3.8
521.33807	4.0
539.44629	7.2
557.45483	15.8
575.46790	6.1
593.47888	5.5
611.48578	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73768	1.2
53.00301	1.5
53.03931	3.0
55.01862	2.7
55.05502	42.3
57.03419	14.7
57.07053	5.3
65.03918	2.2
67.05488	96.8
69.07056	34.8
69.52861	1.2
71.04971	1.7
71.08588	1.5
79.05468	80.1
81.07034	86.2
83.04965	5.4
83.08601	14.0
85.06534	6.0
86.88524	1.2
87.52705	1.1
91.05455	74.4
92.08715	1.4
93.07017	83.5
95.04938	9.8
95.08578	70.7
97.06520	2.3
97.10121	2.3
99.08098	1.3
103.72197	1.3
105.07007	77.5
107.08566	46.0
109.06529	3.0
109.10136	24.8
117.06989	30.0
118.07837	1.6
119.08547	57.8
121.10115	32.4
123.11691	6.7
125.09640	1.7
128.06209	5.4
129.06992	20.1
130.07806	1.8
131.08534	46.7
133.10103	44.3
135.11658	21.8
137.09567	1.4
140.81870	1.2
141.07019	2.3
142.07761	3.1
143.08530	26.1
145.10091	36.6
147.11664	29.2
147.12750	2.1
149.09656	1.8
149.13229	12.4
155.08554	9.0
156.09300	1.5
157.10107	25.5
159.11641	31.5
161.13232	20.2
163.14818	2.8
167.08542	2.1
169.10110	11.4
170.10905	1.6
171.11618	19.9
173.13223	19.6
175.14821	7.8
177.16458	1.7
183.11668	10.0
185.13193	17.3
187.14742	9.8
189.16316	2.0
195.11693	5.0
197.13271	6.8
199.14790	12.2
201.16440	5.4
209.13255	2.9
211.14809	6.0
213.16347	5.2
215.18034	2.0
215.71045	1.2
225.16328	2.3
227.17921	2.2
229.19527	1.6
239.17845	1.5
241.19508	11.8
243.21054	1.3
257.19125	1.4
259.20514	24.1
261.22232	2.9
299.23651	1.7
315.23096	2.6
333.24118	16.4
335.25677	28.0
337.27374	1.7
368.17960	1.5
487.98755	1.4
519.41864	6.2
537.42798	1.6
541.38562	2.6
593.45526	13.8
611.46558	100.0
612.47040	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	611.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78148	1.9
53.00265	2.2
53.03947	2.6
54.57494	1.9
55.01869	3.0
55.05508	5.2
55.34623	1.7
55.84119	1.7
57.03428	31.5
59.04976	5.4
61.02890	2.3
64.79887	2.0
67.05486	17.3
69.03416	100.0
69.07043	8.7
71.04974	7.9
73.02927	3.2
75.04458	2.6
79.05471	21.1
81.03407	4.6
81.07048	33.3
82.83859	2.1
83.04958	2.1
83.08597	9.4
85.02892	90.2
85.06533	19.5
87.04449	61.7
91.05453	20.8
93.07008	27.4
95.08582	36.3
97.02872	84.2
97.75315	2.1
99.04422	2.8
105.07019	25.4
107.08567	34.0
108.27913	2.2
109.02866	4.5
109.10135	19.7
111.08047	2.9
115.03913	59.5
117.07001	4.7
119.08569	20.5
120.03120	2.2
121.06467	2.1
121.10116	19.4
123.04416	2.3
123.11680	10.1
127.03896	13.3
129.07005	4.0
131.08537	22.9
133.04944	48.0
133.10112	26.8
135.11655	17.1
137.09584	3.2
143.08531	2.8
145.02846	2.5
145.04947	12.7
145.10107	37.0
147.04382	11.3
147.11652	25.4
149.13223	12.2
151.11185	10.6
155.08501	2.3
157.10112	13.3
159.11670	27.6
161.13251	23.9
163.11177	10.6
163.14781	3.7
167.06975	3.5
169.10126	3.3
171.11574	16.2
173.13243	18.2
175.14713	3.5
177.05508	4.1
181.04947	3.0
183.11642	5.2
185.13197	18.0
187.14799	15.6
189.12694	3.1
197.13326	7.3
199.14806	15.7
211.14845	10.2
213.16322	4.4
225.16498	7.1
241.19490	2.6
253.19380	8.3
255.21063	5.2
259.07962	3.2
271.20450	9.4
281.22574	64.2
295.10156	3.0
299.23590	89.4
303.04913	11.0
317.24670	64.2
480.02948	2.2
571.09265	2.4
611.29913	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	611.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98918	1.1
53.00306	2.2
53.03926	2.3
55.05494	6.4
55.57574	1.1
57.03424	31.3
57.07023	1.3
59.04976	8.4
59.19585	1.2
61.02905	2.4
67.05486	14.7
69.03410	100.0
69.07034	5.7
71.04956	10.1
73.02891	2.0
75.04463	6.5
79.05472	13.8
81.03392	7.7
81.06592	1.8
81.07033	26.6
83.08615	2.9
85.02885	96.6
85.06528	20.0
87.03940	2.1
87.04442	44.6
91.05459	12.9
93.07010	18.6
95.04958	1.9
95.08566	26.9
97.02863	75.9
97.06483	1.9
99.04420	7.4
99.08025	2.2
102.80846	1.3
105.06996	22.5
106.89941	1.5
107.08572	29.6
109.02835	6.0
109.10143	13.8
111.04439	2.2
111.08044	2.2
113.09608	1.5
115.03138	2.7
115.03899	50.4
117.06944	3.1
119.08538	15.6
121.06449	1.7
121.10110	17.6
123.07990	2.3
123.11668	2.9
127.03867	15.4
129.06946	3.2
131.08516	17.8
133.04929	44.2
133.10078	24.6
135.11656	13.4
137.09612	1.9
143.08533	7.5
145.04935	8.5
145.10086	28.9
147.04366	6.9
147.11659	17.4
149.13225	6.3
151.11162	8.0
155.08524	3.2
157.10056	12.3
159.11667	26.1
161.13188	18.6
163.05966	1.7
163.11151	7.3
163.14793	2.5
165.12738	3.3
167.06966	2.8
169.10062	6.8
171.11636	11.3
173.13257	15.5
175.11021	2.2
175.14751	7.5
179.14204	1.7
183.11635	3.4
185.13229	11.5
187.14702	13.9
189.12663	2.2
197.13194	6.7
199.14751	11.3
205.15733	2.6
211.14769	12.7
213.16318	2.0
217.15848	1.9
225.16310	10.7
239.17924	6.2
241.19411	2.7
243.17256	1.6
253.19472	10.7
255.21143	6.5
271.20419	12.8
273.16214	1.5
281.22534	63.8
281.25415	2.6
295.10300	1.5
297.22144	2.2
299.23608	84.7
303.04919	8.9
315.23206	1.8
317.24652	53.5
390.25082	1.5
441.14087	1.4
623.92682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.4
53.03926	2.0
55.01862	1.7
55.05494	2.7
57.03168	0.6
57.03428	9.7
59.04973	0.9
61.02911	5.1
66.87822	0.4
67.05495	5.5
69.03414	29.3
69.06716	0.5
69.07048	3.9
71.04962	2.4
72.09430	0.4
73.02886	2.0
75.04446	0.8
79.05469	9.6
81.03397	5.4
81.07036	17.7
83.04965	11.0
83.08579	1.9
83.55923	0.4
85.02886	48.3
87.04441	11.4
91.03924	2.1
91.05460	4.5
92.09318	0.5
93.07015	13.4
95.04928	1.0
95.08582	19.8
97.02866	24.6
97.06507	100.0
97.10165	1.0
99.04433	2.9
105.07011	9.7
105.97108	0.4
107.04958	0.8
107.08569	15.0
109.02844	4.2
109.06498	79.6
109.10143	13.3
110.06854	0.5
111.08045	0.5
115.03901	9.9
117.07014	2.4
119.08556	12.6
121.06462	8.9
121.10120	14.2
123.07157	0.7
123.08040	15.9
123.11673	6.1
127.03876	10.7
129.06984	2.1
129.42393	0.4
131.08533	6.9
133.04956	7.1
133.06470	0.6
133.10095	12.1
135.08032	5.1
135.11676	7.7
137.09599	2.5
137.13261	0.9
139.30310	0.4
142.07808	0.5
143.08537	5.0
145.04924	9.3
145.10095	9.0
147.08043	1.8
147.11650	10.1
149.09596	11.3
149.13226	11.4
155.08551	2.0
157.10110	4.7
159.11641	8.9
161.09595	2.9
161.13182	5.6
163.06078	0.7
163.11177	3.8
163.14775	3.9
169.10098	2.0
171.11626	5.9
173.13217	10.8
175.11159	3.0
175.14781	7.6
177.12732	7.0
177.16370	2.7
183.11710	2.7
185.13210	7.6
187.14796	4.4
189.12706	2.3
189.16371	4.5
191.14273	1.0
191.17949	2.5
197.13248	2.9
199.14787	4.8
201.12790	0.5
201.16394	3.0
201.33997	0.5
203.14406	3.4
203.17880	6.8
211.14754	5.5
213.16357	2.5
215.14438	0.8
215.17961	2.1
217.15858	1.1
217.19409	3.7
225.16309	4.2
227.17896	2.1
229.15877	3.0
229.19482	0.6
239.17926	2.9
241.19489	3.2
243.17480	1.1
253.19501	2.7
255.21089	2.4
255.48679	0.4
257.22531	0.9
259.07855	0.5
271.24310	1.1
273.22226	1.0
281.22568	27.8
299.23630	72.9
300.23969	0.7
317.24680	81.3
318.25018	0.8
479.29929	86.0
480.30347	0.8
618.46722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01851	1.4
55.05502	3.1
57.03432	12.5
57.07061	0.8
59.04972	1.4
61.02919	6.2
64.48676	0.5
67.05494	8.0
69.03414	43.0
69.07056	4.7
71.04974	3.0
73.02889	2.7
75.04453	1.2
79.05473	8.8
81.03398	7.3
81.07038	16.5
83.01283	1.0
83.04977	9.9
83.08617	1.1
85.02890	63.5
87.04451	19.7
91.03935	2.8
91.04937	0.5
91.05460	5.3
92.08639	0.7
93.07023	14.5
95.04949	0.9
95.08581	17.9
97.02868	32.7
97.06509	100.0
97.10155	1.1
99.04421	3.7
103.03912	0.9
105.07011	9.8
107.04927	1.2
107.08569	15.3
109.02858	6.1
109.06500	82.8
109.10143	12.8
111.08106	0.9
112.49648	0.6
115.03909	15.1
117.06996	1.3
119.08566	11.9
121.06464	4.0
121.10138	9.5
123.08040	13.3
123.11691	5.3
127.03884	11.6
129.06940	1.1
131.08572	6.9
133.04933	12.5
133.10106	10.8
135.08025	3.8
135.11652	7.5
137.09654	2.1
143.08542	3.0
145.04941	10.9
145.10106	5.3
147.08031	0.8
147.11664	8.8
149.09619	12.5
149.12163	0.9
149.13248	13.2
155.08554	1.3
157.08940	0.7
157.10057	4.5
159.11639	7.7
161.09619	1.5
161.13266	6.4
163.11159	3.3
163.14798	2.6
169.10042	2.3
171.11687	4.9
173.13248	9.8
175.11136	1.0
175.14795	7.2
177.12740	5.6
177.16348	1.1
183.11673	2.9
185.13280	5.5
187.14832	2.5
189.12749	1.1
189.16318	2.7
191.17870	0.8
197.13268	1.4
199.14793	5.1
201.16403	1.5
203.14233	2.6
203.17953	4.1
211.14798	5.7
213.16388	2.7
215.14368	0.7
215.17958	2.8
217.15886	1.2
217.19450	2.5
225.16330	2.4
227.17905	0.7
229.15878	2.4
239.17921	1.5
241.19482	3.0
243.17453	1.1
253.19479	0.7
254.11047	0.6
255.20930	0.8
257.57660	0.7
273.22031	2.6
281.22549	19.8
283.24356	1.0
295.10052	0.9
299.23642	70.2
301.25266	1.4
317.24677	70.2
328.19537	1.0
400.96487	0.7
479.29941	52.4
543.38525	0.7
611.22565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41003	0.6
53.03930	1.7
55.01859	2.9
55.05499	4.0
57.03443	6.1
61.02911	4.2
63.85445	0.6
64.33194	0.7
67.05494	18.4
69.03415	18.3
69.07051	1.8
71.04965	4.2
73.02886	3.8
79.05473	8.6
81.03402	8.5
81.07037	12.2
83.08617	1.5
85.02888	56.9
87.04440	3.1
87.91999	0.7
91.05463	11.1
93.07027	12.5
95.04946	3.9
95.08582	13.9
97.02863	13.2
99.04440	1.6
105.07009	17.3
107.04927	1.1
107.08564	15.5
109.02849	7.3
109.06528	1.6
109.10143	18.8
117.06992	7.2
119.08559	10.8
121.06451	1.5
121.10149	1.8
123.04433	1.2
123.08026	0.8
123.11728	1.0
125.05968	3.1
127.03017	1.0
127.03873	10.9
128.06197	7.5
129.06981	4.9
131.08514	10.1
133.10136	6.2
134.42995	0.9
135.08000	1.3
135.11685	4.0
137.09579	7.5
141.06950	6.4
142.07777	3.4
143.08536	18.6
144.09346	0.8
145.04971	7.4
145.06477	3.5
145.10112	13.1
147.08069	2.9
147.11642	8.4
153.05487	1.4
153.06961	1.7
155.08525	9.2
156.09290	1.6
157.10104	9.3
159.07977	3.6
159.11673	7.7
161.13208	3.4
163.05959	1.5
163.07501	3.1
163.11191	0.8
165.06915	4.6
165.09041	1.2
166.07762	4.9
167.08487	8.4
168.09294	3.9
169.10078	9.6
170.10956	0.9
171.08052	1.1
171.11676	5.2
173.05940	0.9
173.09560	1.5
173.13231	3.8
175.07547	1.2
177.09059	1.3
178.07759	0.9
179.08510	8.0
180.09334	4.5
181.10088	17.4
182.10841	1.4
183.07990	1.8
183.11649	8.4
185.09599	1.5
185.13191	3.9
187.07501	13.3
187.14813	9.2
189.09143	0.9
193.10054	7.0
194.10800	1.0
195.08034	1.2
195.11702	6.6
197.09589	6.1
197.13220	4.6
199.11162	4.8
199.14813	3.9
201.09030	1.2
201.16533	0.8
205.10155	1.6
207.11681	6.3
209.09604	1.8
209.13234	3.1
211.11134	4.5
211.14723	1.8
213.09106	5.9
213.16357	3.1
215.10518	1.3
219.11650	3.7
221.13217	1.8
223.11166	1.0
225.09053	22.6
225.12608	1.0
227.10619	20.7
229.12207	1.2
233.13434	2.6
235.14830	1.2
239.10616	20.3
241.12204	6.7
243.10080	8.7
247.14641	2.5
249.16367	1.3
251.18028	1.0
253.12236	6.6
257.11652	20.5
261.12408	0.8
263.17825	1.4
271.13269	3.3
275.17740	0.9
279.13824	1.3
289.19427	4.1
293.15576	1.4
293.18903	1.5
303.04990	3.3
307.20453	8.8
317.19040	3.1
325.21561	3.7
335.19989	61.4
353.21048	100.0
354.21454	1.1
371.22064	23.8
389.23010	1.3
413.23434	0.8
431.24670	1.2
449.14090	3.0
515.26147	1.3
533.27502	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	611.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30281	0.7
53.03930	2.3
55.01862	4.0
55.05498	5.5
57.03432	4.5
57.19496	0.7
57.38579	0.8
59.04995	1.0
61.02908	4.0
62.45108	0.7
65.57449	0.8
67.05496	11.3
68.90931	0.8
69.03414	12.8
69.07050	4.5
71.04977	5.1
73.02896	2.0
79.05479	12.4
80.10200	0.9
81.03416	8.1
81.06590	1.6
81.07038	30.5
83.04961	1.3
83.08586	1.7
85.02892	40.3
85.06541	1.4
87.04450	4.8
91.05469	15.7
93.07030	19.9
95.04934	4.1
95.08583	22.3
95.23122	0.9
97.02871	14.1
97.06511	3.5
97.10204	1.0
99.04433	1.1
103.05417	0.8
105.03363	2.2
105.07017	32.4
105.07722	1.0
106.11713	0.8
107.04927	1.6
107.08572	17.9
109.02874	5.2
109.06520	5.8
109.10168	8.2
111.04443	1.7
111.08106	1.6
115.05415	1.8
117.07010	11.3
119.04913	1.1
119.08566	16.7
121.06508	4.4
121.10122	11.8
121.32000	0.8
123.04379	1.8
123.07994	1.2
125.02332	0.9
125.05968	6.8
125.09589	1.3
127.03873	6.6
128.06212	5.9
129.06985	11.0
131.08543	17.8
133.06485	1.0
133.10106	13.8
135.08034	1.0
135.11684	6.1
137.05934	3.6
137.09602	1.5
141.06985	5.1
142.07758	4.3
143.08525	14.1
144.09300	1.4
145.02931	1.0
145.04926	1.4
145.06534	1.7
145.10106	21.7
147.04388	2.2
147.11685	10.9
149.05907	1.5
149.09515	1.0
149.13254	1.1
153.05440	5.2
155.08543	12.2
156.09312	1.4
157.06491	1.3
157.10121	17.7
159.08086	1.3
159.11659	21.8
161.09602	1.3
161.13235	5.5
165.05579	1.3
165.07022	4.1
166.07748	5.1
167.07060	3.4
167.08548	7.3
167.14288	1.7
168.09306	4.6
169.10072	9.4
170.10886	0.9
171.11655	14.0
173.09631	0.9
173.13199	7.2
175.07532	1.9
175.14764	2.1
177.05476	1.6
178.07973	1.0
179.08537	4.0
180.09236	1.6
181.10117	14.5
182.10916	0.9
183.08231	1.0
183.11647	12.1
185.09579	2.0
185.13200	10.8
187.07544	2.0
187.11201	0.9
187.14684	1.4
189.09055	1.5
193.10159	5.0
195.11644	9.7
196.12416	1.3
197.09558	1.7
197.13268	5.4
199.07486	1.0
199.11154	3.9
199.14778	6.0
201.09027	0.9
201.16344	4.4
203.06886	2.9
205.10130	1.4
207.11754	6.7
209.09578	7.6
209.13202	7.0
211.07553	1.1
211.11153	2.3
211.14850	4.4
213.16336	2.3
215.10678	1.6
217.12180	1.2
219.11708	3.8
221.13257	4.3
223.14749	1.1
225.09081	3.4
225.12680	1.3
227.10603	11.3
227.17905	24.6
229.12215	4.2
233.13220	4.1
235.11240	1.3
237.12775	1.3
237.16342	1.5
239.10651	1.4
241.12292	1.1
245.18909	1.5
249.16255	2.1
251.17839	1.7
253.12093	7.0
255.13864	1.7
265.12228	1.3
271.13242	1.3
275.17883	4.8
279.13708	3.5
289.19434	7.2
291.20984	1.4
293.15381	1.4
293.18997	1.3
299.17422	1.3
303.04956	7.6
307.17111	1.7
307.20496	6.7
317.19043	4.3
325.21597	3.9
335.19949	33.1
353.21063	100.0
354.21384	1.5
371.22079	36.5
413.23160	8.2
431.24103	7.6
502.92572	1.1
611.33179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Rutine
Peak:m/z	Relative Intensity
51.26976	0.1
53.03920	0.2
55.01855	0.3
57.03429	2.2
57.33031	0.1
58.22403	0.1
59.03235	0.1
60.31287	0.1
61.02894	0.7
67.98210	0.1
68.99762	0.4
69.03412	1.4
71.04971	10.7
71.86357	0.1
73.02880	0.3
75.04418	0.2
81.03374	0.6
83.04935	0.2
85.02886	13.0
87.04446	0.2
92.09092	0.2
93.03316	0.2
95.04927	0.2
97.02850	1.5
99.04416	0.2
109.02861	0.6
111.00764	0.8
111.04386	0.4
121.02831	1.0
127.03871	0.8
129.05450	2.0
135.04425	0.2
137.02307	3.6
145.04897	0.3
147.06442	0.3
149.02327	0.3
153.01799	3.0
163.03864	0.7
165.01804	2.0
173.06032	0.2
177.01823	0.2
183.02869	1.0
201.05415	1.3
210.62753	0.2
219.06383	0.2
229.04912	4.2
247.05989	1.1
257.04404	2.8
274.04620	0.8
285.03732	1.6
303.04913	100.0
304.05255	1.1
465.10239	0.4
537.59332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70097	0.5
52.78027	0.6
54.07019	0.6
55.05495	1.4
56.96558	1.2
57.03424	4.6
57.07062	5.4
59.04996	5.9
65.03925	1.5
67.05139	1.2
67.05491	31.7
69.03415	17.8
69.07048	1.0
71.04634	1.0
71.04974	23.7
73.06507	0.7
79.05464	4.7
81.07030	11.4
83.04968	2.8
85.02884	1.6
85.06528	32.8
87.04440	11.3
90.13750	0.6
91.05466	3.3
92.08862	2.9
93.03374	0.8
93.07016	5.3
95.04947	30.5
95.08591	4.1
105.07001	7.4
107.08587	5.7
109.10136	1.5
113.05987	100.0
114.06303	0.7
116.98607	0.7
117.07021	1.0
119.08572	4.4
121.10123	3.6
123.04408	0.7
127.99080	0.7
131.08572	4.1
133.06392	0.7
133.10063	1.6
135.11658	1.4
135.15060	0.7
143.08563	1.8
145.08585	18.9
145.10075	4.6
147.11673	1.3
151.87689	0.8
155.08527	3.3
157.10069	2.8
159.11676	3.6
165.05359	0.8
169.10020	1.4
171.11700	1.5
173.13226	2.8
175.14790	3.2
178.28752	0.8
181.10120	1.6
183.11685	0.9
187.14703	0.8
195.11661	2.8
203.02255	1.1
227.10588	0.8
229.12184	0.8
241.12302	0.8
245.11554	1.0
253.12148	0.8
259.13199	1.0
310.78461	0.8
325.21545	1.5
335.19910	5.7
353.21030	24.6
353.99741	0.9
371.21964	10.1
373.23709	1.1
413.22891	5.0
431.24197	10.4
485.36829	0.8
507.32620	0.8
515.29797	1.2
543.60229	0.8
575.32190	10.5
598.86011	0.8
629.25781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49259	2.0
51.43032	2.1
55.05507	28.2
57.07055	4.4
62.17769	2.2
65.03931	2.9
67.05141	4.1
67.05492	100.0
69.07056	39.2
71.04971	4.5
71.08604	3.8
79.05476	40.8
81.07042	98.4
83.05025	2.3
83.08598	17.6
85.06534	2.9
86.24000	2.3
91.05425	25.9
92.08749	9.7
92.09348	5.2
93.07019	47.2
93.34545	2.4
95.04959	3.7
95.08587	84.3
97.06516	12.8
97.10155	10.4
105.07009	22.9
107.08584	27.9
109.06563	2.7
109.10140	41.5
111.08058	3.3
117.06987	2.8
119.08553	17.4
120.69398	2.3
121.10123	31.0
123.07992	3.1
123.11700	10.8
131.08557	11.7
133.10135	10.8
135.11676	12.6
137.09639	2.8
137.13237	3.0
142.58777	2.3
145.10118	13.6
147.11647	18.2
149.13248	12.8
151.14867	2.3
151.93436	2.3
155.99747	2.1
159.11658	8.4
161.13243	11.6
165.12749	2.6
173.13246	4.3
178.72842	2.4
187.14780	4.2
243.21027	10.6
261.22028	26.5
272.55527	3.2
279.23120	50.1
297.24158	11.8
299.76346	3.1
336.96539	3.0
521.43756	3.4
539.44482	11.6
557.45532	30.1
575.45947	3.6
624.06171	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	610.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49506	1.5
55.05499	3.3
57.03410	1.9
57.07053	1.8
59.04986	9.8
60.45033	1.4
61.38910	1.4
62.65616	1.6
66.16032	1.5
67.05480	10.9
67.36638	1.4
69.03413	15.0
69.07027	1.6
71.04965	6.7
79.05464	3.2
81.07031	8.1
83.04980	2.7
85.02892	31.4
85.06529	15.4
87.04450	100.0
91.05457	4.1
93.07001	7.5
95.04945	9.1
95.08598	7.6
99.04447	3.4
105.07019	9.4
107.08585	8.6
109.06496	2.4
109.10136	3.6
111.04415	1.9
113.05987	15.2
117.07007	3.5
119.08555	3.8
121.10129	3.3
123.08009	1.6
125.05956	2.0
129.05426	2.8
129.06950	2.0
131.08521	7.9
133.10106	8.3
135.11722	2.0
143.08620	5.4
145.10074	9.3
147.11662	7.2
157.10152	7.1
159.11613	6.5
161.13213	4.0
169.10107	2.4
171.11644	1.9
173.13264	3.1
175.14883	1.9
183.11610	2.8
193.64285	1.8
197.13271	2.6
225.16206	1.9
229.12209	3.1
277.19455	2.0
291.20990	2.8
319.20410	2.9
337.21576	26.0
353.20853	2.4
355.22571	27.0
371.22034	3.5
373.23657	39.7
389.23331	2.5
428.52029	1.9
611.23163	3.9
611.33710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
54.12922	1.3
54.63531	1.4
55.01867	3.6
55.05497	11.2
57.03427	19.5
57.07066	3.5
59.04994	8.2
61.02894	2.6
65.03909	2.5
67.05491	20.5
69.03065	2.6
69.03416	54.1
69.07055	24.6
70.06554	2.3
71.04972	14.6
73.02906	2.2
79.05473	16.6
81.03403	9.4
81.07038	35.0
83.04951	16.2
83.08612	3.0
85.02892	100.0
85.06531	12.3
85.44268	1.6
86.03233	1.5
87.04455	46.7
91.05462	13.2
92.08698	4.1
92.09269	3.8
93.07021	30.3
95.04948	30.6
95.08591	46.5
97.02865	43.4
97.06500	14.9
99.04436	8.1
102.93790	1.7
105.07021	26.0
107.04954	3.6
107.08578	28.4
109.02855	9.6
109.06504	24.6
109.10131	30.4
111.04447	18.7
111.08083	7.1
111.11698	3.8
113.05981	9.1
115.03915	16.7
117.06997	2.6
119.04926	3.3
119.08569	23.5
121.06476	9.2
121.10117	36.8
123.04437	6.7
123.08038	34.8
123.11682	49.0
124.03930	6.4
125.05973	8.3
125.09592	2.7
127.03893	8.3
127.11130	2.4
129.07004	2.9
131.08551	13.4
133.04919	9.9
133.06503	2.0
133.10121	20.6
135.08022	7.5
135.11646	9.8
137.05963	21.1
137.09586	6.6
139.11174	3.5
141.05434	3.7
143.07005	1.7
143.08517	8.1
143.10722	3.0
145.02832	6.3
145.05026	2.5
145.06436	2.2
145.10094	19.0
147.04408	7.9
147.08063	7.4
147.11676	11.5
149.09602	8.7
149.13252	3.4
151.07498	1.9
151.11165	42.2
155.07008	14.9
155.08360	2.3
157.10103	8.9
159.07977	3.5
159.11646	16.6
161.06010	1.8
161.09631	3.9
161.13240	10.6
161.95891	1.9
163.03918	2.5
163.11189	7.0
163.14833	1.8
167.10628	3.1
167.14296	3.6
169.10107	2.9
173.13225	2.3
175.07498	2.6
175.11169	3.8
177.05440	3.7
177.09024	1.8
177.12665	6.8
179.14305	15.0
181.04935	6.7
181.09937	1.6
181.12218	2.3
183.11646	3.1
185.13243	3.9
187.11235	3.7
187.14790	8.7
187.83525	1.7
189.16306	1.8
197.13316	3.2
201.05447	2.9
203.14308	20.2
205.12172	3.7
205.15846	3.1
215.14267	18.0
217.15739	2.2
221.15312	3.8
227.14285	1.8
233.15288	13.6
245.15283	19.2
251.16388	52.3
262.06320	1.9
263.16373	37.8
263.19644	3.2
281.17429	43.6
281.20636	3.5
294.46216	1.6
299.18625	3.7
303.04968	6.0
305.08072	3.9
317.12201	19.5
325.10437	2.1
335.19846	3.1
336.20291	3.0
337.10788	2.7
353.21082	10.2
354.21344	10.3
395.20206	2.3
443.22696	9.4
449.16373	7.4
487.15753	13.1
549.87189	1.9
551.54828	1.7
610.27490	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	609.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95050	0.8
55.01855	1.0
55.05499	7.1
55.05727	0.7
55.18527	0.8
59.04990	8.8
59.06091	0.8
63.81433	0.8
65.03923	1.0
67.05502	7.4
69.03414	7.8
69.07043	2.1
71.04976	3.8
73.06534	4.6
75.04442	2.1
79.05465	7.0
81.03398	4.0
81.07025	8.9
83.04958	5.3
83.08606	1.0
85.02884	35.8
85.06522	13.5
87.04446	100.0
91.05456	10.8
92.26454	1.0
93.07016	8.8
95.04950	2.2
95.08575	9.1
97.02884	4.2
97.06491	1.1
99.04413	5.3
101.06000	1.3
105.07013	13.1
107.04922	1.5
107.08566	10.7
109.06488	2.1
109.10127	5.4
111.04418	6.4
115.03887	1.3
116.98576	1.4
117.06995	3.8
119.04880	1.3
119.08538	10.3
121.06467	1.2
121.10117	4.3
123.11687	1.1
127.03844	1.7
128.06210	9.3
129.05449	1.7
129.06969	4.4
131.08580	7.0
133.10106	4.5
135.08034	1.2
135.11642	1.7
137.05949	1.1
137.09590	2.1
141.06947	4.1
142.07753	1.6
143.08551	15.7
145.06418	1.9
145.10092	8.1
146.86031	1.0
147.04449	3.4
147.08081	1.3
147.11606	6.8
149.13181	1.0
153.07007	1.1
154.07764	1.6
155.08504	4.0
156.09299	1.1
157.10100	7.4
159.11659	4.4
161.13065	1.2
162.03999	0.9
163.07553	1.7
165.06932	1.5
166.07750	1.2
167.08502	2.0
168.09303	1.1
169.10081	5.4
171.07959	1.0
171.11679	4.0
173.09578	1.1
177.05394	1.6
179.08469	1.7
181.04895	0.9
181.10091	8.9
183.11626	4.6
185.09500	1.8
185.13205	2.3
187.07494	9.2
187.14763	5.0
193.10036	2.3
195.11659	4.1
197.13103	1.0
199.11331	1.3
204.91418	1.0
207.11609	1.5
209.13303	1.4
213.09105	1.1
223.14810	1.4
227.10637	2.2
237.02806	1.0
241.12146	2.3
249.16420	1.2
255.11217	1.4
268.69968	1.1
297.21851	1.5
315.13303	4.0
317.18869	1.6
325.21692	2.0
335.19885	9.8
353.21042	13.8
369.20602	1.4
371.21735	6.8
417.74295	1.4
485.28891	7.9
513.28375	85.4
514.28552	2.3
531.29309	5.0
591.31738	1.2
609.33136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02715	0.6
55.01841	1.5
55.05490	4.9
59.04986	9.3
60.02134	1.0
60.60708	0.5
61.02916	0.8
63.58425	0.7
67.05491	6.0
67.48025	0.6
69.03423	9.1
69.07040	1.8
69.43693	0.7
71.01324	1.4
71.04979	5.8
73.06533	3.3
75.04435	3.3
79.05460	7.1
81.03388	1.7
81.07031	9.1
81.23655	0.7
83.04958	7.1
83.08635	1.2
85.02886	31.5
85.06537	12.9
87.04446	100.0
90.43371	0.8
91.05460	8.1
93.07028	7.9
93.23927	0.7
95.04949	5.7
95.08585	8.9
97.02856	4.2
97.06480	1.0
98.97581	1.0
99.04417	4.3
101.06023	0.9
105.07001	12.3
105.30885	0.7
107.08560	11.5
109.02875	1.3
109.06504	1.3
109.10133	5.5
111.04424	7.1
113.68371	0.7
115.03937	1.2
115.05392	1.2
115.07533	1.2
117.06980	4.0
119.04922	1.7
119.08549	7.8
121.06454	1.7
121.10115	3.8
123.04400	1.5
123.08044	1.0
123.11668	1.7
125.05978	1.5
127.03891	0.7
128.06194	5.4
129.05466	2.6
129.06979	3.9
131.08534	6.0
133.10120	6.2
135.04413	0.8
135.11678	1.2
137.05956	1.2
137.09634	1.1
141.06970	3.0
142.07678	1.2
143.06970	1.0
143.08530	17.0
145.06487	2.9
145.10043	7.5
147.04404	1.7
147.07985	1.3
147.11647	5.8
150.05127	0.7
153.06921	0.9
154.07765	1.2
154.82748	0.8
155.08499	4.8
157.10100	5.6
159.08081	1.7
159.11646	4.9
159.36015	0.7
161.09549	0.8
161.13203	2.7
163.07541	1.7
165.06990	1.5
165.09085	1.1
167.07098	1.3
167.08493	4.6
168.09309	1.0
169.10071	3.8
171.11673	3.3
173.13177	1.2
177.05397	1.3
179.08452	0.9
180.09319	1.4
181.04858	1.4
181.10077	6.4
183.11667	5.8
185.09547	1.5
185.13228	1.5
187.07558	11.2
187.14777	1.7
193.10228	1.0
195.11655	3.4
197.09608	1.6
197.13228	1.3
199.11235	1.1
201.09100	0.8
207.06245	1.0
207.11781	1.3
209.09567	1.4
209.13113	1.4
211.10959	0.9
215.10655	1.2
221.13261	1.1
225.09009	1.0
227.10612	3.8
227.17981	1.0
234.14120	0.8
235.14598	0.8
239.10649	1.2
241.12372	3.0
247.14697	1.3
255.11165	1.1
297.22028	1.7
307.20364	0.9
315.13281	4.4
315.23196	1.2
325.21475	2.6
335.19962	10.2
351.19449	1.0
353.21106	12.5
369.20447	1.1
371.22055	9.1
389.22974	1.1
485.28674	8.2
513.28375	95.2
514.28516	3.5
531.29651	6.7
609.25061	0.9
609.33252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71304	0.5
53.00285	0.6
54.56282	0.6
55.01851	1.2
55.05495	5.3
57.03173	1.0
57.03426	18.6
57.07028	0.8
59.04972	3.3
61.02904	1.4
65.77776	0.5
67.05491	8.4
69.03411	57.5
69.07048	4.1
71.04977	1.0
73.02895	1.1
74.51241	0.5
75.04447	3.4
79.05463	7.4
81.03389	3.3
81.06590	1.1
81.07035	21.6
83.04961	5.8
83.08586	0.8
85.02882	50.3
85.06550	0.7
87.04444	26.8
91.03968	0.7
91.05453	7.7
92.08749	0.7
93.07008	11.8
95.04936	1.1
95.08578	17.8
97.02860	34.2
97.06494	10.0
97.10125	1.4
100.11254	0.5
105.06352	1.2
105.07008	21.5
107.04929	1.3
107.08569	10.9
109.02835	2.5
109.06493	1.4
109.10140	7.6
113.06003	0.9
115.03905	19.2
116.33615	0.6
117.07010	5.9
117.49859	0.6
119.08549	18.2
121.06478	3.5
121.10089	6.7
123.08054	0.9
123.11670	6.0
127.03895	5.4
128.06197	1.0
129.06975	5.7
130.07686	0.7
131.08533	12.5
133.04939	14.1
133.06476	2.8
133.10086	11.8
135.08040	1.2
135.11656	21.2
137.13243	1.0
141.06949	2.3
143.08534	9.2
145.04971	4.6
145.06462	1.0
145.10100	13.6
147.08043	11.6
147.11676	4.3
149.02298	0.8
149.09633	4.7
149.13206	2.4
155.08495	7.0
157.06342	0.7
157.10117	10.6
158.07217	0.7
159.08066	4.2
159.11644	5.6
161.09584	11.8
161.13220	37.6
163.11145	3.4
167.08458	1.0
169.10121	4.8
171.11649	6.0
173.09573	32.9
173.13187	6.3
175.11151	11.0
175.14809	2.3
181.10083	2.5
182.10841	0.7
183.11656	8.5
185.13184	3.7
187.11160	4.3
187.14799	2.4
189.12740	3.7
189.16391	0.7
195.11670	3.4
197.13237	3.3
199.11150	2.6
199.14758	2.6
201.12700	13.9
201.16412	1.4
207.95090	0.6
209.13199	3.3
211.14761	1.3
213.12682	4.8
213.16385	2.7
215.14268	3.3
223.14813	2.4
227.14224	3.1
229.15633	0.8
237.16214	0.9
239.17873	8.5
241.15939	0.9
243.08670	0.6
252.28371	0.6
253.19510	4.3
255.20921	1.2
271.20364	2.2
279.20908	4.4
296.49808	0.6
297.22052	58.9
298.22443	1.4
310.44226	0.6
315.23102	79.9
316.23685	0.7
334.18536	0.7
416.29617	0.8
428.77356	0.7
477.28360	100.0
478.28769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.9
55.01853	1.2
55.05491	3.6
57.03424	17.6
59.04984	3.6
61.02909	1.0
61.83214	0.5
67.05490	9.3
69.03413	46.9
69.07042	1.1
70.26344	0.6
71.04976	4.1
73.02896	2.2
75.04460	3.6
79.05464	8.4
81.03409	3.7
81.07036	28.5
83.04971	1.3
83.08614	2.4
85.02888	40.4
85.06523	32.9
87.04446	26.9
91.05460	6.2
92.08850	2.9
93.07012	12.0
95.04947	2.4
95.08575	14.2
97.02866	35.1
97.03492	1.3
97.06515	3.9
99.04425	1.1
99.08081	0.9
105.07003	16.2
107.08572	8.1
109.02885	1.4
109.06512	1.2
109.10130	3.8
111.04378	0.7
111.08067	0.7
113.05991	1.3
115.03905	24.8
117.07004	5.9
119.08570	9.4
121.10139	4.3
126.06940	0.6
127.03903	3.3
129.06975	6.3
131.08533	20.7
133.04938	17.2
133.10098	7.4
135.11679	1.2
137.09581	3.2
141.06956	2.9
142.07771	4.2
143.08530	10.0
144.09355	0.7
145.04898	4.5
145.10097	19.5
147.11639	7.1
149.09573	1.1
155.08534	8.8
156.09337	2.7
157.10092	26.3
159.06398	1.1
159.11653	27.1
161.13222	4.2
163.11206	1.0
165.53078	0.6
167.08507	0.9
168.09286	1.4
169.10089	6.5
171.11647	14.7
173.13193	9.7
175.11108	0.9
180.09309	0.7
181.10098	5.1
182.10814	1.4
183.11642	9.2
185.13234	7.9
187.11082	1.4
187.14771	1.2
189.12741	2.8
191.14337	0.9
193.10121	2.5
194.10826	0.6
195.11642	7.6
197.13205	12.2
198.14110	0.7
199.14781	6.2
201.12685	0.9
203.14301	0.8
207.11647	1.0
209.13235	10.8
211.14763	7.1
213.12790	0.8
213.16322	5.7
215.14259	12.9
217.15871	1.5
221.13261	1.1
222.13913	0.7
223.14783	13.3
225.16354	3.5
227.14285	2.3
227.17873	3.5
229.15857	3.6
231.17389	2.5
235.14655	0.7
236.15656	0.9
237.16371	3.6
239.17894	5.7
240.78989	0.7
241.15797	5.1
243.17091	0.7
249.16406	1.3
251.17833	4.3
253.19522	6.7
255.17342	2.6
255.21017	2.7
259.08066	0.7
261.60165	0.6
277.09335	0.7
279.20990	23.2
281.19052	0.7
283.20526	7.1
295.20532	4.6
297.22046	100.0
298.22464	1.2
301.21555	0.9
307.20551	0.7
313.21628	0.9
315.23120	24.5
321.22040	0.9
333.18542	1.1
339.23080	1.1
375.23166	1.1
393.24167	0.9
411.25543	1.9
423.25098	0.9
429.26221	6.3
447.27118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3265
Annotation	2-Acetoxy-4,5-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
55.01860	1.7
55.05509	3.5
56.96552	0.5
57.03431	7.6
59.04969	1.0
61.02901	3.2
62.14537	0.4
67.05492	5.8
69.03418	25.5
69.07055	3.4
71.04974	1.1
73.02898	1.0
75.04458	0.6
75.43976	0.4
79.05473	8.4
81.03417	4.1
81.06593	0.6
81.07042	14.1
83.04972	7.7
83.08606	0.8
85.02893	33.4
85.06529	0.9
87.04453	11.6
91.05468	7.1
93.07027	14.5
95.04958	1.0
95.08588	22.6
97.02876	19.7
97.06512	35.0
97.10112	0.4
98.97555	1.9
99.04433	1.7
99.25626	0.5
103.03902	0.5
103.05402	0.4
105.07015	14.5
107.04950	0.8
107.08590	12.4
109.02857	3.4
109.06507	34.6
109.10136	6.3
111.08060	0.5
115.03916	10.1
115.05256	0.5
116.98557	1.1
117.07005	5.2
119.08566	15.0
121.06503	6.1
121.10126	19.4
123.08049	31.2
123.11667	3.5
127.03873	6.3
129.07008	3.1
131.08548	13.8
133.04945	7.4
133.06490	1.1
133.10109	11.7
135.08041	1.9
135.11681	6.6
137.09610	0.7
141.07033	0.6
142.07765	0.7
143.08562	7.0
144.09290	0.8
145.04942	4.3
145.10114	13.4
147.08025	2.9
147.11668	9.8
149.09595	6.6
149.13222	4.4
155.08531	3.6
156.09319	0.8
157.10095	8.5
158.10930	0.6
159.08040	0.9
159.11659	11.1
161.09590	5.2
161.13216	6.0
163.11156	2.9
163.14803	3.0
167.08513	0.5
169.10109	4.3
171.11653	12.4
173.09607	6.9
173.13245	23.5
173.14728	0.8
175.11200	5.8
175.14780	7.0
177.12752	3.9
181.10139	2.9
182.10876	0.8
183.11650	6.0
185.01184	1.9
185.13245	7.7
187.11172	2.1
187.14743	4.3
189.12733	3.0
189.16333	2.6
194.10872	0.5
195.11687	4.3
197.13225	7.1
199.14835	4.0
201.12704	5.3
201.16354	7.3
203.02234	1.0
203.14334	4.0
208.12177	0.5
209.13222	4.7
211.14832	3.8
213.12779	2.1
213.16368	2.9
215.14328	2.5
215.17799	3.4
217.15881	2.2
222.13892	0.6
223.14711	5.9
225.16412	1.1
227.14285	2.8
227.17924	2.3
235.14755	1.8
237.16304	3.3
239.17949	7.1
240.02834	0.6
241.15784	3.1
249.16438	0.8
250.17183	1.0
251.17938	3.2
253.19458	8.3
255.21062	3.8
264.18741	0.9
269.18896	2.3
269.22604	0.6
271.20544	7.9
279.21027	20.7
280.21167	0.5
281.22589	1.9
295.20575	3.7
297.22079	70.4
298.22482	2.4
299.23636	9.9
307.20355	0.5
315.23135	100.0
316.23514	1.1
405.24777	0.5
441.26038	0.6
459.27228	2.7
477.28397	12.7
609.29968	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	609.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05498	4.1
57.03425	6.2
59.04984	1.0
60.55164	0.5
61.02892	1.3
61.41506	0.5
67.05498	8.4
69.03062	0.9
69.03410	17.2
69.07043	2.5
70.67773	0.5
71.04968	2.4
73.02872	0.9
73.86159	0.5
75.04449	0.6
77.16109	0.5
79.05468	10.4
81.03387	3.9
81.07035	16.5
83.04951	6.9
83.08586	2.7
84.04454	0.6
85.02884	27.0
85.06499	1.4
86.09722	0.7
87.04447	9.2
91.03909	0.8
91.05457	8.6
92.08591	0.6
93.07020	18.9
95.04935	2.6
95.07998	1.1
95.08580	24.2
97.02866	14.1
97.06506	24.2
97.10140	0.6
99.04426	1.1
99.08060	0.9
100.11223	3.1
101.02412	0.6
105.07018	14.8
106.14926	0.5
107.04882	1.0
107.08562	13.9
109.02863	3.0
109.06496	35.0
109.10148	10.5
111.04436	0.8
111.08047	0.9
113.05952	0.7
114.09121	0.9
115.03888	6.0
117.06963	5.2
119.08554	15.1
119.60955	0.6
121.06459	6.4
121.10120	25.5
123.08029	21.0
123.11664	4.5
125.09588	0.7
127.03857	4.8
128.06241	0.8
129.06946	4.6
131.08530	16.5
133.04933	4.7
133.06436	2.5
133.10092	13.9
134.15112	0.8
135.08035	2.7
135.11665	8.0
137.09584	2.4
141.06911	1.1
142.07721	1.0
143.08537	7.6
144.09261	0.8
145.04956	3.3
145.10103	17.3
147.08017	3.9
147.11665	10.8
149.09578	5.9
149.13173	3.9
155.08521	5.5
157.10072	8.8
159.08023	2.1
159.11655	16.8
161.09627	4.9
161.13190	10.5
163.11134	3.6
163.14738	3.2
167.06990	0.6
167.08557	0.7
168.40263	0.6
169.10068	4.8
171.11644	12.0
173.09613	7.4
173.13210	26.9
175.11151	7.2
175.14804	6.3
177.12709	4.7
179.08325	0.7
180.09247	0.7
181.10095	3.3
182.15384	0.7
183.11623	7.3
185.13210	8.3
187.11160	2.7
187.14699	4.8
189.12711	4.6
189.16321	3.0
195.11653	5.0
197.13239	7.2
197.20706	0.6
198.14029	0.7
199.14757	4.8
201.12669	6.7
201.16293	4.9
203.14281	4.1
209.13217	6.0
209.16391	0.7
210.14670	0.6
211.14803	3.6
213.12720	2.8
213.16347	4.0
215.14270	3.7
215.17842	2.4
217.15813	1.2
221.13130	0.7
223.14822	4.9
223.16620	0.7
225.16318	2.4
227.14200	4.5
227.17842	2.8
235.14793	2.2
237.16295	3.6
239.17909	6.0
241.15903	2.4
249.16351	0.7
250.17105	1.0
251.17886	4.2
253.19417	7.3
255.17351	2.1
255.20944	6.7
264.18454	0.6
269.18875	1.0
271.20374	4.2
279.20981	17.9
281.18903	0.7
283.20459	2.5
295.20508	2.3
297.22046	100.0
298.22256	0.9
315.23108	93.3
321.22263	0.7
415.24838	0.8
441.26199	1.0
459.27390	0.9
477.28281	9.9
608.94794	0.8
609.29449	1.2
609.96167	0.8
616.78412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05501	7.5
57.03426	29.4
59.04977	7.5
64.63440	0.9
67.05486	10.6
69.03412	100.0
69.07056	2.8
70.33850	1.0
71.01322	1.3
71.04965	1.2
73.02874	1.5
73.21255	1.1
75.04456	2.9
79.05458	10.1
81.03391	2.5
81.07034	29.5
83.04970	7.7
83.08591	1.1
85.02885	79.8
85.06534	1.4
87.03930	2.6
87.04447	58.0
87.04980	2.3
91.05450	11.5
91.61008	1.2
93.07022	18.3
95.04959	1.6
95.08581	23.7
97.02865	57.5
97.06498	16.0
97.10135	1.0
97.91314	1.1
105.07006	22.0
107.08549	13.2
109.02870	1.5
109.06496	6.4
109.10136	8.2
115.03905	42.3
117.07015	6.1
119.08556	23.4
121.06475	2.6
121.10130	8.9
123.08059	1.7
123.11684	7.6
127.03898	6.5
127.49071	1.3
129.06993	6.2
131.08560	14.6
133.04935	28.9
133.06453	1.5
133.10117	11.9
135.11653	18.2
137.09688	1.3
137.13275	1.3
142.07753	2.3
143.08563	10.7
145.04921	4.5
145.06404	1.6
145.10106	14.2
147.08046	14.8
147.11694	4.7
149.09621	2.8
149.13191	1.5
155.08490	8.8
157.10075	10.4
159.08055	4.5
159.11650	8.8
161.09592	14.5
161.13226	34.0
163.11174	5.4
163.14818	7.5
167.08482	1.9
169.10063	3.0
171.11670	8.0
173.09566	32.8
173.13187	8.5
175.11127	13.7
175.14798	1.9
181.10083	2.5
183.11650	11.1
185.13226	6.4
187.11183	5.6
187.14780	5.0
189.12662	1.7
195.11589	2.9
197.13228	6.5
199.11229	2.2
199.14827	1.4
201.12683	12.9
201.16382	2.2
209.13304	6.1
211.14806	1.6
213.12750	2.5
213.16370	1.3
223.14827	3.0
227.14290	6.7
227.17883	2.3
239.17902	11.1
241.15729	1.7
253.19408	5.0
255.21136	1.6
271.20444	5.4
279.21024	7.4
295.47437	1.3
297.22043	93.1
299.23712	11.5
315.23102	91.2
353.21109	2.4
477.28336	80.1
609.32910	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	609.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01874	0.6
55.05508	3.7
56.06032	0.3
57.03203	0.3
57.03432	4.7
57.07053	0.5
59.04990	6.8
60.33506	0.3
61.02922	0.5
63.80610	0.3
65.03930	0.4
65.75708	0.3
67.05497	5.6
69.03426	3.1
69.07045	2.0
70.67313	0.3
71.04971	3.2
77.06017	0.7
79.05466	6.3
81.03413	1.4
81.07040	12.5
83.04970	4.5
83.08600	0.8
85.02891	27.6
85.06526	6.3
87.04452	100.0
88.04772	0.4
91.05450	6.9
92.09260	0.8
93.07028	9.5
95.04973	3.1
95.08581	9.2
97.02871	2.4
97.06509	4.4
99.04420	2.8
105.03371	4.2
105.07014	9.8
107.04987	0.7
107.08585	6.5
109.06503	5.7
109.10112	2.7
111.04439	3.1
113.05976	0.4
115.03898	1.4
115.05412	0.6
115.07575	0.5
117.05606	0.5
117.06995	4.4
118.63533	0.4
119.04948	0.6
119.08564	7.4
121.06483	2.3
121.10134	4.9
123.04389	0.9
123.08056	1.9
123.11691	0.4
125.05962	13.6
125.06821	0.7
127.03893	1.6
128.06187	0.4
129.05455	2.3
129.06966	5.3
131.08531	8.0
133.04922	0.4
133.06529	0.4
133.10094	5.3
135.04422	0.4
135.08049	0.8
135.11670	2.2
137.06012	0.5
137.09610	0.4
139.03857	0.4
141.05516	0.5
141.07008	2.2
142.07791	1.6
143.07043	2.0
143.08549	7.8
145.06531	0.9
145.10089	10.5
147.08069	0.8
147.11678	3.9
149.05878	1.4
149.09686	0.4
153.05476	6.6
153.06841	0.8
154.07744	0.5
155.07309	0.4
155.08539	4.4
156.09364	0.5
157.06500	0.5
157.10103	8.2
159.08051	1.7
159.11679	8.2
161.09586	0.6
161.13246	1.8
163.11151	0.4
165.05460	10.4
165.06857	0.9
166.07800	0.5
167.07063	0.7
167.08549	1.8
168.09256	0.7
169.10071	4.5
171.07979	0.6
171.11647	7.7
173.09622	1.6
173.13243	4.4
175.07552	1.7
175.14809	1.5
177.09013	0.4
179.08575	1.9
180.09358	0.6
181.10057	5.5
182.10912	1.4
183.08089	0.6
183.11653	4.6
185.09656	0.7
185.13210	6.7
187.07597	0.8
187.11102	0.5
187.14769	5.3
189.09065	0.7
189.12721	0.4
189.16370	2.4
192.09261	0.5
193.10126	2.2
195.11604	3.3
197.09657	2.0
197.13242	3.5
199.11177	1.6
199.14812	4.4
201.09149	0.5
201.12659	0.8
201.16444	0.9
203.07048	1.4
203.14304	0.8
205.10104	1.6
207.11662	1.7
209.09621	1.4
209.13231	2.4
211.11253	1.4
211.14832	2.1
213.12753	0.8
213.16357	2.4
215.10670	0.7
215.17886	0.4
217.12178	0.5
219.11783	2.6
221.13225	2.2
223.11143	0.6
223.14821	2.2
225.09119	1.5
225.12773	1.4
225.16296	0.4
227.10696	4.5
227.14539	0.5
227.17908	16.3
229.12344	0.7
233.13338	1.7
235.14780	0.7
237.12642	0.5
237.16396	0.5
239.10585	0.6
241.12328	1.4
243.13875	0.5
247.14886	0.7
249.16328	1.6
251.17926	2.1
253.12206	1.8
253.19504	0.9
255.13757	0.7
261.16479	0.8
263.09030	0.5
265.19507	0.6
267.13736	1.5
269.19052	0.8
271.20425	0.5
275.17865	2.1
279.13672	0.9
279.21121	1.7
289.19312	2.6
291.20944	0.4
293.15341	1.5
293.18939	2.1
297.22116	4.5
299.23593	0.5
299.45941	0.4
307.17133	0.9
307.20435	5.1
309.22043	0.9
311.20108	0.6
315.23120	6.2
317.18851	2.6
325.21634	2.4
335.19977	18.0
335.23935	0.6
340.80368	0.4
353.21048	59.8
354.21451	1.4
371.22101	25.9
372.22629	0.5
386.12631	0.4
413.23196	5.1
431.24341	2.8
477.28146	0.4
495.38147	0.4
495.46606	0.4
531.29211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2702
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
54.81700	0.6
55.05506	1.6
64.33418	0.8
65.81721	0.7
67.05479	4.7
69.07063	1.0
77.90333	0.7
79.05470	3.3
81.07029	5.6
83.08613	0.9
89.03057	0.7
91.05466	3.7
92.09003	7.7
93.07019	4.6
95.08587	3.5
105.07018	5.1
107.08600	1.8
108.60168	0.7
109.10119	0.8
117.07028	1.2
119.08543	1.3
121.10123	1.5
131.08507	1.4
133.10095	4.1
143.08499	1.3
145.10150	3.4
147.11717	1.3
149.76941	0.9
157.10176	1.4
162.70581	0.9
167.75385	0.8
377.17560	1.1
389.18042	1.0
391.19214	1.9
392.19934	1.5
400.16663	1.6
403.19098	1.5
404.20535	1.0
405.20660	5.1
406.21310	1.6
407.22433	1.8
415.19196	3.5
419.22452	1.2
420.23190	1.7
421.23691	5.6
427.18860	1.1
428.20392	1.1
429.20837	1.7
430.21967	1.4
431.18167	1.1
433.24353	1.4
444.23184	1.0
446.21237	1.4
447.17776	2.8
449.23541	1.4
457.23630	1.4
460.22879	1.0
461.19016	6.2
462.20367	4.0
472.22440	1.6
475.20743	8.5
476.21707	10.5
477.22531	6.7
478.23849	1.0
485.23349	11.2
486.20276	1.4
487.24982	1.4
489.22653	8.6
494.26218	1.2
499.21109	1.3
500.22006	1.4
503.24384	8.2
504.25128	7.1
515.24310	9.5
521.25171	3.6
522.25952	1.4
531.23865	15.8
548.23749	1.6
549.24652	8.3
550.25482	8.5
559.23438	7.2
577.24921	1.0
591.25854	21.4
609.26923	100.0
609.44794	7.6
610.27228	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69464	1.5
57.03417	3.9
57.07059	3.4
59.04993	28.0
65.03931	2.7
66.60370	1.6
67.05495	41.5
69.03419	93.2
69.07047	2.0
69.27921	1.5
71.04975	20.9
73.06556	2.4
79.05460	1.8
81.07034	8.3
83.04982	2.8
85.06541	20.2
87.04446	14.4
91.05468	7.5
93.07014	8.6
94.96551	1.7
95.04953	57.0
95.08578	7.4
105.07018	10.2
107.08591	3.0
109.10171	2.7
113.05995	100.0
117.07015	2.2
119.01900	3.8
119.08591	3.5
121.10130	3.4
122.45866	1.8
127.07530	8.7
129.06999	2.4
131.08557	4.1
133.10117	3.9
141.07115	1.7
143.08464	2.7
145.08588	38.3
145.10162	3.0
147.11676	4.3
152.10236	2.0
155.08507	2.9
157.10101	1.9
159.11725	3.8
161.13234	2.1
169.10127	2.1
173.13255	2.0
175.07570	3.1
181.10072	2.2
183.11722	3.0
185.13162	1.9
185.47127	1.8
195.11606	2.1
209.13228	2.1
213.16466	2.3
227.10765	3.0
245.08675	2.1
246.66425	1.9
309.22046	2.3
317.11069	2.0
319.20361	2.5
337.21567	25.1
355.22647	34.3
373.23657	58.0
433.25748	6.8
447.27423	2.3
517.31555	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	608.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81926	2.6
57.03416	2.9
57.07055	3.1
59.04976	5.3
60.69064	2.2
67.05489	33.8
69.03403	19.2
69.07027	2.6
71.04980	26.6
71.05305	3.3
79.05475	4.2
81.07027	5.7
83.45229	2.4
85.06528	27.1
87.04449	4.7
89.43974	2.2
91.05489	3.6
93.07018	6.1
95.04942	37.7
97.29053	2.5
105.07008	9.5
107.08596	3.4
113.05991	100.0
119.08526	4.0
121.10143	4.5
125.06032	2.6
129.06935	3.3
131.08536	4.7
133.10097	3.4
134.56551	2.2
143.08546	3.3
145.08572	24.1
147.11658	3.6
159.11646	3.1
161.13225	3.4
227.10597	2.7
229.12238	4.3
271.13535	2.9
288.02905	2.9
291.21118	2.6
337.21530	30.3
355.22629	27.2
362.12704	2.8
373.23639	49.7
420.02521	3.0
433.25156	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	608.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.4
55.09873	0.8
57.03416	6.4
57.07057	5.5
59.04994	7.3
67.05487	6.3
69.03413	10.5
69.07047	1.8
71.04967	4.0
74.09687	5.2
75.04462	0.9
77.32162	0.9
79.05471	3.9
81.07035	13.2
83.04957	5.2
83.08617	1.2
85.02889	32.5
85.06526	9.6
87.04451	100.0
91.05456	6.1
92.09385	2.0
93.07034	6.6
95.04979	1.6
95.08569	5.3
97.02868	6.1
97.06487	1.5
99.04426	1.3
100.11222	2.0
105.07021	9.0
107.08609	6.7
109.10132	3.5
111.04415	4.1
113.09612	1.6
115.03909	4.0
117.06966	4.2
119.08589	7.6
121.06499	1.1
121.10151	1.3
123.11682	0.9
125.05994	1.8
128.06224	1.2
129.05466	2.0
129.06973	6.5
131.08527	10.3
133.06485	1.4
133.10112	5.7
135.11682	1.5
141.06970	1.7
142.07777	1.6
143.07050	1.4
143.08499	8.0
145.10088	7.2
147.07982	1.2
147.11647	4.7
149.02307	25.2
150.02632	11.6
151.02763	1.6
155.08536	8.3
157.10083	14.8
159.11649	10.5
165.06883	0.9
166.07779	1.0
167.08415	1.1
169.10152	4.8
171.11647	4.6
173.09547	2.0
173.13182	1.8
175.07509	1.6
179.08591	2.2
181.10092	5.8
183.11649	7.4
185.13202	1.7
192.09238	1.4
193.10091	4.0
195.11678	4.3
196.16078	1.0
197.13206	4.6
199.14815	2.2
207.11665	3.7
209.13232	5.3
211.14836	2.3
219.11655	1.7
221.13260	2.1
223.11060	1.1
223.14812	1.3
225.12634	1.2
227.10724	1.4
229.12175	1.7
233.13187	4.4
243.20988	1.0
247.14757	2.3
249.16302	1.1
251.17885	1.5
253.12196	0.9
255.13689	1.7
269.15225	1.2
275.17917	3.7
277.14285	2.2
278.14578	5.1
289.19446	2.0
291.21124	1.2
293.15347	1.5
295.20425	3.8
296.21008	1.7
307.20496	1.2
313.21661	3.7
314.21915	1.5
317.19113	3.7
331.67200	1.0
335.19971	31.2
353.21005	40.7
371.22055	21.9
372.03125	1.0
375.49316	1.1
475.26965	3.8
476.27130	5.7
531.29358	1.7
608.31525	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	608.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56132	0.4
53.03938	0.4
55.05504	4.3
56.78315	0.5
57.03423	3.0
59.04990	7.7
65.03911	0.5
66.03047	0.4
67.05493	4.0
69.03418	2.6
69.07056	2.2
71.04976	3.7
73.25665	0.4
74.09698	2.7
75.04472	0.5
76.07616	0.9
77.66646	0.4
79.05472	5.0
81.03394	0.7
81.07039	8.8
83.04967	4.5
83.08594	1.8
85.02888	27.1
85.06538	7.1
86.03213	0.4
87.04451	100.0
91.05470	3.8
92.08720	1.5
93.07022	7.5
95.04965	0.5
95.08585	8.2
97.02903	0.6
97.06493	0.8
97.10155	0.6
98.76099	0.5
99.04443	3.0
100.11287	1.1
105.07009	7.8
107.08566	6.0
109.10149	0.9
111.04420	5.3
115.07587	0.6
117.07014	2.3
119.08532	3.7
121.10117	4.3
123.04398	0.5
123.08045	0.5
125.05969	0.6
127.03870	0.5
129.05443	4.3
129.07002	2.1
131.08540	5.8
133.10121	2.8
135.11710	1.0
137.09645	0.6
141.06892	0.7
143.07028	2.3
143.08551	4.3
145.10107	4.9
147.11653	3.4
149.09572	0.6
153.05528	0.6
155.08553	2.7
157.10098	5.1
159.11668	5.4
161.09669	0.6
161.13194	0.7
165.09042	0.5
167.08524	0.6
169.10135	2.9
171.11708	3.2
173.13255	3.7
175.07486	0.6
175.14844	2.4
179.08548	0.9
180.09258	0.6
181.10101	2.9
182.15381	0.7
183.11635	3.4
185.13245	2.3
187.07355	0.6
187.11090	0.7
187.14771	0.6
189.09081	0.5
195.11710	2.0
197.09698	0.7
197.13220	2.1
199.11241	0.9
199.14716	1.2
201.09096	0.5
201.16344	2.0
203.07010	0.6
207.11650	1.0
209.09601	0.7
209.13222	1.1
211.14716	0.9
213.16472	0.6
215.10657	0.7
223.14801	0.9
227.10661	3.0
227.17886	4.2
229.12180	1.1
231.10170	0.6
233.13254	2.0
239.10680	0.6
241.12440	0.7
245.07021	0.6
249.16348	0.7
267.13922	0.7
275.17691	0.7
279.13879	1.0
289.19537	2.0
307.20383	1.1
317.19034	2.0
325.21564	2.3
333.71033	0.5
335.19989	10.9
353.21033	45.2
371.22046	16.9
400.69986	0.5
413.23187	5.2
431.24216	13.9
591.31244	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	607.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37512	0.6
55.01864	0.8
55.05502	5.8
57.03430	2.6
59.04996	0.8
59.23638	0.5
61.02909	0.8
67.05486	10.9
69.03411	12.9
69.07051	3.9
70.06590	0.6
71.04961	2.5
79.05471	9.2
81.03401	1.2
81.07038	14.3
83.04969	5.3
83.08611	1.5
85.02895	6.9
85.40906	0.6
87.04464	3.2
91.05449	12.4
93.07016	18.8
95.04964	3.7
95.08581	45.2
97.02869	9.4
97.06507	13.8
98.97581	0.9
99.04465	3.2
105.07011	22.7
105.07653	1.2
107.04924	3.0
107.08580	15.3
109.06503	13.6
109.10146	11.4
111.08084	1.5
115.03944	2.8
115.05446	0.8
115.52438	0.6
116.98581	1.0
117.06989	5.6
119.08553	18.4
121.06496	6.1
121.10125	27.7
123.08041	16.8
123.11670	3.5
125.05874	0.7
128.06190	1.2
129.06978	4.7
131.08556	13.9
133.04926	1.5
133.06468	1.5
133.10100	15.9
135.08063	3.1
135.11670	7.8
137.09633	1.4
141.06995	1.0
142.07784	2.7
143.08536	8.8
145.02870	1.1
145.10133	11.7
147.08061	4.0
147.11681	8.7
149.09589	6.5
149.13245	5.9
151.11298	0.8
155.08559	3.9
157.10136	7.2
159.08052	0.8
159.11661	14.3
161.09535	5.9
161.13223	8.5
163.11133	1.4
163.14813	0.9
167.08534	1.2
169.10052	6.2
171.06537	1.0
171.11653	14.3
173.09578	10.4
173.13211	24.1
175.11110	6.1
175.14836	3.8
177.05501	1.3
177.12662	0.7
181.10109	1.6
183.11565	6.3
185.13182	10.2
187.11218	2.6
187.14825	4.2
189.12726	2.8
193.10156	0.8
195.11644	3.5
197.13235	3.5
199.11189	1.5
199.14734	5.9
201.12695	9.6
201.16287	0.9
203.14226	8.3
207.04701	0.7
209.13168	5.8
211.14856	3.4
213.12720	1.2
213.16307	1.1
215.14340	3.2
215.17769	1.0
217.15860	4.0
219.13785	2.5
220.14156	1.2
221.13179	1.5
223.14761	3.0
225.12723	1.2
225.16283	0.8
227.14325	3.8
229.15785	0.9
235.14688	2.3
236.41748	0.7
237.16330	3.9
239.14117	0.9
239.17967	3.3
241.15816	4.0
249.16211	0.9
251.17920	2.7
253.19475	3.3
255.21101	5.3
269.18951	4.4
271.20581	1.2
277.19559	1.0
279.21027	16.5
295.20493	15.1
297.22067	100.0
313.11838	0.8
313.21671	8.3
313.51968	0.8
339.23074	1.0
411.25052	0.7
429.26392	11.5
444.97208	0.8
475.26843	2.7
549.78284	0.8
607.25861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
54.52327	0.8
60.05993	0.7
78.19997	0.8
80.52132	0.9
89.77992	0.7
90.57335	0.8
98.25004	0.9
294.66638	0.9
389.17737	1.1
403.18991	3.5
405.20633	3.0
416.20572	1.0
417.20795	4.6
418.21567	1.6
419.22394	3.7
431.17899	9.1
432.18915	1.1
433.23856	9.6
434.24432	1.2
445.19745	10.5
446.20798	5.5
447.21854	4.1
459.21765	6.6
460.22327	11.7
461.23178	13.9
473.23578	4.6
487.24817	1.4
505.22379	3.4
519.16736	0.8
519.26324	0.8
547.26910	37.3
589.98450	0.9
607.29047	100.0
608.29895	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52753	0.5
53.00302	1.4
53.03929	1.0
54.01446	0.7
55.01845	1.3
55.05494	3.9
57.03427	23.4
57.07057	0.6
58.58294	0.7
59.04977	5.1
64.57922	0.6
67.05494	1.7
69.03413	76.8
69.07043	4.2
69.96521	0.6
71.04987	0.7
73.02903	1.2
73.40269	0.6
75.04457	4.3
79.05460	3.0
81.03394	1.1
81.07040	6.2
83.04961	5.1
83.08605	1.1
85.02886	60.0
85.06521	1.6
85.89625	0.6
87.04449	39.2
91.01830	0.6
91.05453	3.9
93.07014	8.4
95.04932	1.1
95.08582	6.0
97.02868	45.1
97.06499	7.9
99.04432	1.4
102.46349	0.7
105.06991	6.4
107.08574	7.7
109.02880	0.9
109.06534	1.7
109.10161	3.8
115.03903	23.8
115.63844	0.7
117.06989	3.2
119.08566	4.5
119.30991	0.6
121.06501	1.6
121.10142	4.3
123.08009	0.8
127.03905	5.3
128.06139	1.1
129.07007	4.3
131.08549	8.2
133.04919	11.5
133.10088	2.7
135.11673	4.2
141.06982	1.7
142.07764	1.4
143.08533	7.0
145.04944	1.7
145.10072	6.9
147.08040	2.9
147.11690	3.0
149.09686	0.8
149.13261	0.8
151.07629	0.7
153.07030	0.8
155.08501	15.8
155.96449	0.7
157.10088	6.8
158.07260	0.7
159.08060	1.4
159.11662	3.4
161.09604	1.4
161.13310	1.0
165.07021	1.0
166.07820	1.3
167.08592	1.6
168.09248	0.9
169.10077	8.4
171.08029	3.0
171.11702	6.1
173.09552	15.8
173.13243	1.5
179.08530	4.0
181.10092	11.9
183.11620	8.8
185.09628	1.2
185.13318	1.5
187.11134	1.1
192.09294	5.1
193.10110	6.4
194.10913	0.8
195.11618	13.8
197.13187	4.8
199.11168	2.7
199.14812	4.3
201.12779	0.7
205.10120	1.4
206.10916	3.4
207.11626	13.1
208.12413	1.1
209.13220	8.0
210.10402	0.9
211.11266	1.7
211.14755	13.6
213.12805	1.4
221.13243	7.8
222.14035	3.0
223.14828	4.1
225.12753	6.7
225.16443	4.1
233.13202	6.5
235.14822	4.0
236.15598	6.1
237.12816	0.8
237.16353	3.7
239.14410	2.8
241.15839	1.4
247.14745	3.9
249.16545	1.1
251.14299	2.2
251.17850	15.2
253.15923	2.7
253.19646	3.4
262.17395	0.8
265.15894	8.8
266.16571	10.0
267.17310	1.6
268.18094	0.8
269.18912	6.4
277.16428	0.9
277.19373	5.2
280.18130	25.6
293.19113	1.4
295.20505	70.7
313.21548	43.9
353.21353	0.8
403.01266	0.7
431.24216	1.2
475.26810	100.0
476.27081	1.1
550.10138	0.7
607.31018	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	607.2911
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.05754	1.3
53.13954	1.2
54.39556	1.2
54.76234	1.3
55.61830	1.1
78.15810	1.3
79.53844	1.4
84.81843	1.2
92.09010	3.3
111.30008	1.4
112.78747	1.9
118.16872	1.3
121.70496	1.3
132.52965	1.4
186.37378	1.4
267.36960	1.6
403.19232	2.2
417.20502	3.4
419.22202	3.2
431.18582	6.5
433.23981	9.9
445.19504	10.3
446.20898	5.8
447.21506	2.4
459.21658	7.4
460.22366	13.3
461.23300	13.8
473.23590	1.9
478.46817	1.5
505.21695	2.2
547.26868	50.4
607.29022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60265	0.6
55.89544	0.5
58.54128	0.5
81.07051	0.7
89.01463	0.6
92.08987	3.6
98.23911	0.6
109.39993	0.6
112.79232	0.6
118.89212	0.6
140.42690	0.6
309.12494	0.7
388.17197	0.8
389.17511	2.6
401.17368	1.1
402.18423	0.9
403.19339	5.3
404.19983	1.1
405.20795	4.5
417.16013	4.3
417.20969	3.6
418.22021	1.1
419.22366	8.2
420.23135	0.9
430.17496	0.8
431.18073	9.9
432.18982	4.4
433.20020	2.5
445.19888	5.9
446.20853	9.5
447.21722	11.2
450.42737	0.7
459.22083	0.9
461.19537	1.1
463.25787	0.8
473.19470	1.4
474.20526	7.2
475.20935	6.4
477.22858	0.8
487.21381	0.8
491.20624	1.2
501.22345	0.9
519.23865	20.7
547.23260	16.7
548.23492	2.7
579.25879	7.3
606.44275	1.0
607.25372	100.0
608.25909	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	606.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
57.03426	1.1
57.03646	0.1
57.06810	0.2
57.07067	3.4
59.04987	0.1
65.03912	0.3
69.03413	2.6
71.04953	0.2
72.13522	0.1
73.02907	0.1
73.06531	0.5
74.09702	1.8
75.38380	0.1
81.07037	0.2
85.02891	1.8
87.04440	1.4
91.05461	0.1
93.03396	0.1
97.02885	2.2
113.05994	0.2
115.03906	1.0
121.02835	1.5
121.03823	0.2
133.04919	0.9
149.02319	100.0
150.02615	0.2
167.03326	1.6
190.04865	0.1
199.18097	0.1
199.71494	0.1
205.08566	10.5
221.08035	0.6
257.12683	0.2
277.14279	8.3
295.15393	2.0
295.88992	0.1
302.12253	0.2
329.10852	0.1
359.25388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.3
55.01846	1.4
55.05503	7.0
57.03433	2.2
57.07064	16.6
59.04989	0.3
67.05476	0.3
69.03413	6.1
69.07015	0.3
72.04498	0.3
73.06543	1.0
74.09679	0.4
75.04462	0.3
79.82742	0.2
81.07031	0.5
83.04957	0.3
83.08612	1.5
84.04485	1.6
85.02886	3.8
87.04446	3.5
90.73370	0.2
91.05441	0.5
92.08994	1.6
97.02869	5.6
97.06490	0.2
98.97544	0.2
100.07594	0.6
100.11249	4.1
105.06996	0.3
107.08553	0.4
109.10122	0.3
111.04412	1.1
112.07582	0.3
115.03913	3.3
119.08540	0.4
120.08050	0.5
121.02812	1.4
126.09121	0.3
128.07050	0.6
129.06996	0.3
131.08569	1.0
133.04926	2.6
149.02316	100.0
150.02681	0.4
154.12239	2.4
159.11705	0.3
161.06001	1.2
167.03357	1.4
167.36511	0.3
175.07495	5.1
182.15331	4.0
203.06972	4.3
205.08554	4.4
209.16496	0.6
210.14908	3.2
219.01628	0.4
221.08080	0.5
223.09705	0.2
237.02681	0.3
259.37244	0.2
277.14273	24.5
281.18402	0.3
287.63779	0.3
295.15399	3.8
326.28030	0.3
389.66922	0.3
436.18478	0.3
436.31888	0.3
488.61252	0.2
606.45862	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	606.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
57.03429	1.2
57.07066	2.7
58.90017	0.1
59.04996	0.2
65.03924	0.3
67.01009	0.1
67.05473	0.2
67.73385	0.1
69.03418	3.4
73.06534	1.7
73.06879	0.2
75.04465	0.2
77.96516	0.1
78.21722	0.1
78.43415	0.1
81.07038	0.2
85.02891	2.8
85.06519	0.2
87.04449	2.4
93.06997	0.2
93.60773	0.2
95.04975	0.2
95.08608	0.2
97.02866	2.5
105.07060	0.2
107.08586	0.2
113.05991	0.2
115.03934	1.8
121.02824	1.8
133.04913	1.0
146.62587	0.1
149.02324	100.0
150.02670	0.9
159.81029	0.2
167.03394	1.6
182.80170	0.1
201.62521	0.2
203.07185	0.2
205.08580	9.8
206.08905	0.2
221.08090	0.7
258.28360	0.2
277.14288	11.1
278.14423	0.2
295.15237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57658	1.3
51.77485	1.0
52.57644	1.0
53.03945	13.7
55.01860	2.7
55.05507	65.7
57.03425	7.2
58.06057	1.1
59.04991	62.7
61.02909	9.1
61.52120	1.1
65.63428	1.1
67.05496	1.6
68.39266	1.1
69.03065	2.3
69.03416	50.1
71.01370	1.3
71.04967	7.9
73.02890	1.4
78.74993	1.3
81.03404	36.8
81.07021	1.9
83.04967	100.0
85.02892	88.9
87.04436	1.4
91.05457	8.0
95.04943	7.7
97.02872	82.1
97.06475	1.6
99.04444	12.8
101.05998	54.1
103.03901	1.6
109.02140	2.2
109.02863	43.2
111.04440	2.1
115.03912	1.7
115.05455	1.3
119.04918	15.3
119.07037	19.9
119.08521	2.4
121.06467	1.8
122.07178	2.4
123.07982	1.9
125.05957	2.3
127.03892	56.5
133.06372	1.4
133.10118	1.6
135.07986	1.4
137.05971	8.6
138.98274	1.4
145.02840	5.3
145.04935	28.5
147.04391	85.0
149.06004	1.9
161.05986	2.6
163.03833	11.1
163.07481	2.7
165.05510	2.3
167.07024	6.1
171.04289	1.8
175.07504	1.8
177.05414	5.7
185.08125	2.0
187.06027	5.5
189.05435	3.1
191.06888	2.0
205.07047	1.8
209.08066	9.1
216.31798	1.4
223.45139	1.4
224.98305	1.1
227.09076	25.3
236.83153	1.4
245.10144	91.7
252.90034	1.5
263.11212	26.1
309.09616	1.7
373.12479	1.8
391.13699	18.6
409.14969	2.1
474.21506	1.7
563.14056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	2.8
59.04985	27.9
67.05492	21.5
69.03410	100.0
71.04970	10.0
73.06534	3.1
76.80441	1.8
79.05466	4.1
80.05710	2.2
81.07037	4.9
85.06532	4.2
87.04459	11.8
91.05431	2.1
93.07004	2.5
95.04942	32.8
101.24225	1.9
102.68932	2.1
105.06992	5.2
107.08576	2.0
109.10168	3.0
113.05977	47.9
118.67843	2.1
119.08549	3.2
127.07524	8.7
131.08481	2.0
134.16385	2.3
135.11626	2.8
142.71223	2.1
145.08554	22.0
145.10159	2.7
147.11656	3.4
159.11592	2.6
175.07571	3.8
337.21533	14.3
355.22696	17.3
373.23608	23.4
470.92609	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	605.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.81738	0.5
55.01853	2.5
55.05514	0.5
57.03425	0.8
61.02909	0.5
65.03921	2.0
66.04679	0.6
67.05481	2.4
69.03413	6.5
69.07056	5.9
71.01315	0.6
71.04966	0.6
72.90948	0.5
74.06081	0.7
77.03954	0.6
78.04674	0.8
78.69778	0.5
79.05471	15.3
81.03395	0.8
81.07033	16.7
83.04953	1.0
85.02882	7.1
86.03185	0.6
86.09684	37.5
87.04435	1.3
91.05451	24.5
93.07054	2.0
94.04157	4.0
95.04939	13.5
95.08569	0.6
97.02859	3.6
98.97556	0.5
103.05457	1.2
105.03369	5.4
105.07024	0.8
106.04142	0.7
107.04942	6.8
107.08526	0.7
109.02839	0.6
109.06496	63.0
109.10122	0.9
111.04430	1.3
117.03339	2.4
119.04917	5.4
121.06518	1.1
122.03593	1.3
123.04391	9.2
124.05197	0.7
125.05956	1.1
126.05467	4.6
127.03890	0.9
131.04872	0.9
133.02824	17.1
133.04912	2.5
135.04382	3.6
136.07529	0.7
137.05946	100.0
137.13014	0.5
140.04623	1.2
145.02837	6.2
145.10098	0.7
146.03149	0.8
147.04401	2.6
149.05969	2.4
149.09579	0.6
151.03873	1.1
151.07547	2.6
151.87723	0.5
153.05418	4.3
154.06223	2.2
155.07005	2.3
155.08411	0.7
157.13333	2.9
159.11586	0.6
162.05550	0.7
163.03838	2.0
164.07019	0.8
165.05440	50.6
165.06856	2.7
167.06999	35.6
167.08261	0.7
168.05684	1.2
169.06516	0.8
171.06546	0.7
177.05414	10.2
178.05806	1.1
179.06972	1.1
180.07732	2.7
181.04942	10.0
181.06404	1.9
181.60957	0.6
182.05811	0.8
182.07277	0.7
183.06511	1.8
183.08025	3.3
184.05296	0.8
185.05956	0.8
189.48152	0.5
195.08081	0.7
196.05199	0.9
197.08000	66.5
199.07504	0.7
207.04349	0.6
207.06416	0.8
208.07288	3.0
209.07907	0.6
210.06767	1.3
211.07549	2.8
212.08354	0.9
213.05435	1.0
225.05424	1.1
225.07399	1.2
227.06882	0.7
228.07748	1.0
229.04906	1.0
238.06229	1.2
243.06523	0.6
253.08627	1.0
256.07196	1.1
257.08179	1.2
261.14328	2.2
271.09586	2.1
272.10199	1.0
273.07343	0.6
300.18948	4.1
319.11630	4.1
328.18625	8.2
329.10919	0.6
331.11676	67.7
441.26859	3.5
547.25800	0.6
597.64587	0.7
605.21027	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	605.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81744	0.4
62.11057	0.4
63.18390	0.5
69.03389	0.5
71.04987	0.5
74.63113	0.5
81.03429	0.5
81.07056	0.6
83.04919	0.7
85.02910	1.0
92.08700	0.9
92.09202	0.9
93.07014	0.6
95.04935	1.2
95.08575	0.7
97.02878	1.0
97.06529	0.5
105.07011	1.1
107.08592	0.6
114.36863	0.5
117.03468	0.6
121.06443	0.7
121.10083	0.5
121.92813	0.4
129.06880	0.6
131.08557	0.7
136.07596	0.5
137.05994	1.2
137.09639	0.5
145.02776	2.0
165.09123	0.7
167.07011	2.2
174.08789	0.6
177.05444	4.2
189.05457	0.6
238.38463	0.5
249.11266	2.0
250.11513	3.1
251.11734	2.4
252.12065	0.5
329.94952	0.5
344.47934	0.5
405.87006	0.6
605.21899	100.0
606.21527	0.7
614.28864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04005	0.8
55.05496	5.5
56.40888	1.0
57.03424	12.2
57.07053	1.6
59.04982	2.5
60.04504	1.7
67.05489	4.7
67.42657	0.9
69.03413	52.2
69.07058	7.7
71.04971	6.7
71.05338	0.9
74.09690	9.2
75.04440	1.5
79.05469	2.3
81.03394	2.2
81.07041	14.8
83.08584	6.6
84.10007	0.9
85.02887	35.0
85.06528	14.8
87.04448	29.4
91.05460	2.4
92.09171	4.5
93.07029	12.3
95.04984	1.5
95.08577	25.1
97.02872	38.8
97.10153	1.8
99.04398	1.2
103.03932	1.7
105.07001	8.6
107.08568	20.4
109.10136	17.0
113.09602	1.7
115.03908	34.9
119.08562	16.8
121.10104	26.6
123.08036	1.0
123.11700	8.4
127.03910	4.6
130.00102	0.9
131.08530	5.9
133.04941	27.1
133.10097	13.6
135.11662	20.3
137.13232	5.2
145.04890	7.4
145.10106	10.9
147.11638	14.9
149.13243	13.6
150.07620	7.3
151.14796	1.1
159.11662	16.0
161.13237	13.5
163.14761	2.4
166.31546	1.0
171.71445	1.2
173.13211	12.3
175.14748	9.2
179.14163	1.1
185.13251	1.8
187.14789	18.5
189.16298	2.3
191.14137	1.3
191.17848	9.5
199.14857	1.6
201.16354	15.9
205.15837	1.2
215.17889	11.6
217.19446	13.5
231.20984	1.7
255.20978	4.4
257.22577	43.5
257.25333	1.5
259.08090	2.0
273.22098	5.3
275.23627	100.0
277.09164	2.0
279.07089	1.3
293.24667	6.7
295.10233	12.8
502.90869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63349	0.1
53.00298	0.8
53.03939	0.9
55.01857	1.9
57.03424	17.8
57.07056	0.2
59.04988	3.9
60.04498	0.3
61.02588	0.2
61.02908	6.9
67.05459	0.2
69.03409	61.1
71.01339	0.4
71.04964	1.5
71.08575	0.2
73.02892	3.8
75.04461	2.3
79.10613	0.2
81.03393	5.7
83.01330	0.3
83.04961	0.9
85.02881	100.0
87.04442	36.5
91.03925	3.2
92.08989	1.3
95.04948	0.4
97.02861	58.2
99.04421	4.6
101.02351	0.9
103.03907	1.4
109.02847	6.5
111.04419	1.0
115.03899	45.6
117.05447	0.2
123.04414	0.8
125.02328	0.3
127.03876	18.2
133.04929	39.5
139.03862	1.1
145.04926	27.5
150.07588	0.7
163.05966	12.0
165.05415	0.2
169.04898	1.6
175.05934	0.4
177.05428	0.2
205.06902	0.2
211.05907	0.4
223.05925	0.9
229.07045	0.3
241.07071	2.0
259.08038	5.9
263.18445	0.2
271.08047	0.3
277.09155	1.7
289.09073	0.9
293.19537	3.8
295.10144	6.5
325.11191	6.8
375.32489	0.2
395.42575	0.2
403.35999	0.2
604.95227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15881	0.3
53.03941	3.8
53.92360	0.3
55.01865	2.1
55.05514	1.9
56.70059	0.3
57.03432	0.8
59.04989	1.8
63.53868	0.3
65.03937	1.4
67.05487	3.9
69.03415	3.5
69.07040	0.4
71.04971	0.6
77.03912	0.3
79.05470	0.6
81.03407	2.3
83.04975	4.1
85.02888	4.8
87.04470	0.7
88.63090	0.3
91.05458	3.9
95.04947	61.0
95.08619	0.4
96.05717	0.3
97.02863	4.0
97.06493	0.7
99.04418	0.8
101.06002	3.1
103.05448	5.4
105.03425	0.4
105.04492	2.3
105.07016	1.5
107.08603	0.4
108.02071	3.2
109.02841	2.7
109.06479	1.7
111.04478	0.5
113.06007	0.4
113.09637	0.5
115.03915	0.6
119.04942	7.5
119.07026	0.5
121.06482	1.5
122.03671	0.5
123.04405	68.9
124.05212	1.3
125.02329	0.4
127.03912	2.5
127.07513	3.8
131.04907	18.3
133.02826	13.2
135.04419	0.4
137.05951	16.6
139.07558	0.6
140.04660	18.9
141.05392	0.5
145.04932	2.1
145.08485	0.4
147.04390	8.8
149.05971	0.8
151.03908	4.0
151.07529	2.8
152.04614	1.2
152.08289	0.5
155.07008	32.4
161.05923	1.4
162.06734	0.8
163.03848	0.5
163.07507	7.8
165.05420	2.6
167.07002	100.0
168.07535	0.6
177.05446	0.7
179.07010	4.2
183.06494	65.3
195.10124	0.5
209.08060	23.7
211.09578	2.9
220.13205	0.5
227.09044	3.2
245.10031	2.5
263.11157	1.6
308.22128	2.4
309.22488	3.8
339.12091	2.6
357.13153	2.6
359.14767	3.7
371.14758	0.8
389.15750	1.6
394.14655	0.4
464.38693	0.4
471.27625	0.7
603.31488	2.1
604.31915	1.8
610.11646	0.4
632.10883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12282	0.5
53.03925	4.5
54.19909	0.6
54.81768	0.6
55.01857	1.5
57.03420	1.2
62.08689	0.6
65.03919	2.6
67.05484	4.1
69.03410	4.8
73.02885	1.6
79.05469	2.8
81.03379	1.5
81.07034	0.9
83.04958	1.3
85.02872	6.9
87.04432	1.0
91.05472	6.0
93.07010	1.4
94.04151	0.8
95.04942	67.6
95.08586	2.7
97.02869	5.2
103.04832	0.8
103.05450	9.9
105.04471	3.0
105.07021	5.5
107.04937	3.1
108.02100	5.9
108.84243	0.6
109.06495	1.5
111.04414	3.2
113.09623	3.4
115.03893	1.6
119.04913	10.7
121.06503	4.6
122.03655	2.3
123.04401	86.3
123.08028	0.8
124.05192	2.6
125.05921	0.9
127.03875	1.6
127.07478	4.8
131.04895	26.2
131.10542	0.7
133.02820	15.2
133.06487	3.8
135.04410	1.0
137.05951	55.3
140.04652	27.3
141.05406	1.1
147.04378	10.0
149.05977	5.5
151.03905	5.5
151.07504	7.3
153.05434	3.0
153.09041	0.9
155.07004	42.7
161.05928	7.2
162.06752	0.9
163.07513	16.0
165.05476	2.9
165.07016	2.6
167.06995	100.0
175.07520	0.9
177.05397	1.4
177.08920	0.9
177.15065	0.6
178.30026	0.8
179.06941	6.3
180.63371	0.7
181.06473	1.0
181.08594	2.9
183.06499	74.4
183.07968	4.7
185.07713	0.6
191.07007	5.4
193.08582	6.8
195.06461	1.3
207.04430	0.7
209.06105	1.0
209.08046	22.5
211.07507	2.9
211.09612	4.9
222.17921	0.7
227.06947	2.4
227.09114	5.4
239.06918	1.3
239.20699	0.8
241.10678	1.1
243.10152	4.2
251.20021	0.6
255.06432	1.6
267.12244	4.1
271.09546	6.3
283.09839	0.8
288.09848	28.2
301.10571	1.6
302.11414	15.3
303.12189	14.5
339.12015	0.8
357.13284	2.2
359.14685	3.5
371.14963	0.8
377.15887	21.7
389.15915	2.7
446.36929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40613	0.5
56.96552	9.9
57.03421	1.2
57.07040	0.7
57.22507	0.5
61.02891	0.5
67.05481	2.5
69.03406	4.7
69.07053	1.1
70.06576	0.8
70.67780	0.5
71.04968	0.8
77.15678	0.5
81.03397	0.6
81.07024	4.1
83.04951	0.7
83.08607	0.8
84.96030	6.3
85.02879	5.9
85.06523	1.0
87.04469	0.7
91.05447	0.9
92.09013	3.3
93.07005	1.5
95.04928	1.3
95.08563	1.4
97.02874	4.4
97.06487	0.8
97.96769	6.5
98.97560	25.5
100.16557	0.6
102.97064	0.8
105.07017	2.6
105.23440	0.7
107.08545	1.2
109.02888	0.8
109.06470	0.7
109.10120	3.4
110.97557	6.6
113.02436	0.5
115.97853	4.3
116.98601	16.9
117.05495	1.1
119.08567	1.0
120.08149	0.7
121.10101	0.7
127.03925	0.9
128.98584	14.3
131.00131	4.0
133.04926	1.3
133.10094	1.0
133.98837	1.1
134.99655	4.5
136.07550	6.9
137.09572	0.9
143.00124	3.4
144.98053	0.9
145.02821	0.7
145.04913	0.7
145.10046	0.8
146.99628	11.6
147.04460	0.8
149.01187	1.5
150.43729	0.7
152.07010	1.1
158.99591	2.4
161.01219	5.3
161.02313	0.7
162.99126	0.9
164.07021	4.0
165.00681	1.1
167.06976	0.7
170.99632	2.8
173.04787	0.8
177.00674	4.9
177.05435	2.9
182.17708	0.6
184.00381	0.8
189.00606	4.4
192.56056	0.6
195.01753	1.0
197.04790	1.1
201.00690	1.0
212.03534	3.1
213.07957	4.4
219.01743	16.5
220.03952	1.4
225.04379	1.3
229.07436	1.0
230.04645	0.7
231.09035	4.5
237.02757	38.4
238.05058	6.7
240.06622	1.2
253.07362	3.8
255.03813	2.6
256.06015	0.7
259.12180	1.4
265.11108	4.2
266.08249	1.3
267.12625	13.4
269.10635	0.7
271.08328	4.8
283.12103	8.3
285.13657	31.0
291.12579	4.0
294.11334	5.1
295.12146	4.6
303.14694	6.3
309.13678	28.0
309.16354	0.8
312.12512	0.9
313.13135	3.6
321.13544	0.9
327.14703	12.6
333.13904	0.7
339.14630	0.8
351.14572	5.1
369.15771	0.9
391.14307	0.8
411.16821	28.2
429.17850	26.7
543.21014	100.0
544.21838	1.4
603.20447	1.2
618.49396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01855	0.3
55.05470	0.2
57.03386	1.7
61.02885	0.3
67.05461	0.4
69.03423	4.2
69.07015	0.5
70.06567	2.3
71.01987	0.2
71.04932	0.5
73.02872	0.4
79.05456	0.4
80.26752	0.2
81.03380	0.6
81.07005	0.6
83.04927	0.3
83.08553	0.3
85.02894	3.9
87.04415	1.3
91.05412	0.4
93.06970	1.5
95.04916	0.4
95.08526	1.5
97.02858	2.4
97.06506	0.4
98.91414	0.2
100.07562	0.3
102.23048	0.3
105.06953	1.2
107.08518	1.3
109.02805	0.4
109.06461	0.3
109.10126	0.6
111.08040	0.3
112.32727	0.3
114.05479	1.2
115.03871	0.5
116.07059	0.7
117.06998	0.3
119.08508	1.1
121.10090	1.5
127.03829	0.5
133.10037	1.3
135.11629	1.7
137.05981	2.8
145.02867	0.3
148.11113	0.4
153.12703	0.4
162.12747	2.0
163.03886	1.0
167.06953	1.3
168.10075	0.3
174.12749	14.4
176.14189	0.3
177.05331	0.3
182.11734	4.1
188.14285	1.5
190.15836	2.0
193.10942	0.4
194.11790	0.6
196.13205	0.2
203.07013	0.3
206.11638	1.2
207.12479	1.7
208.13345	1.2
209.04372	0.4
220.13289	26.3
221.13580	0.3
225.11307	0.3
230.18887	0.4
232.13185	1.0
234.14825	1.3
235.01611	0.3
235.15649	3.2
236.16475	0.6
248.16405	6.9
249.91835	0.3
262.21640	2.9
274.17761	0.3
276.19714	0.5
290.21112	6.3
308.22144	100.0
309.22559	0.6
350.23245	0.6
403.89389	0.3
470.22366	0.5
470.27405	28.3
602.31641	49.0
603.31592	1.0
615.34576	0.3
630.04840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34856	0.6
50.43717	0.7
53.00293	1.1
53.03930	1.3
55.01846	1.1
55.05492	3.6
57.03138	0.9
57.03426	21.0
57.74158	0.7
59.04971	3.6
61.02913	6.7
67.05477	1.6
69.03415	72.6
69.07056	32.3
71.04965	3.1
73.02888	1.9
75.04444	3.2
79.05451	0.9
79.14174	0.8
81.03411	7.6
81.07014	3.5
83.04953	1.5
83.08578	1.7
85.02889	100.0
87.03932	1.6
87.04448	44.1
89.09421	0.8
91.03925	5.4
91.05450	3.6
93.07032	1.4
95.04945	1.3
95.08573	3.1
97.02869	67.9
98.97572	6.6
99.04442	5.9
103.03951	1.3
103.53165	0.8
105.06998	5.4
107.04888	0.9
107.08603	1.5
109.02859	6.7
109.06569	0.8
109.10080	1.6
110.70225	0.9
110.97605	0.7
111.04364	1.1
111.11720	13.3
115.03908	56.6
116.98609	1.9
117.05475	0.8
117.06994	1.0
119.08569	1.4
121.06500	0.9
121.10120	1.4
121.62365	0.8
127.03884	19.5
127.11107	0.8
129.12727	13.9
131.08549	3.4
133.04938	45.5
133.06464	1.3
133.10098	4.1
135.11589	1.3
137.05989	1.8
141.12666	0.9
143.08553	1.3
143.29924	0.8
145.04944	23.7
145.10095	1.6
147.08044	1.1
147.11681	1.5
157.10139	1.0
163.06000	7.4
163.11115	0.9
167.06987	6.1
168.07248	1.2
169.04913	1.4
171.08159	0.9
174.06352	1.0
189.09140	1.1
205.08531	1.2
207.13925	1.0
223.05858	1.1
237.02773	1.3
241.07120	2.0
259.08112	7.2
277.08902	1.0
288.19348	0.9
289.09164	0.9
291.17834	1.3
295.10110	6.1
307.12033	1.8
308.12396	1.3
325.11035	6.6
333.18530	1.4
351.19449	1.7
359.98788	0.9
369.20541	7.2
387.05405	0.8
387.21545	4.7
405.22769	3.1
542.19562	5.1
603.20520	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	602.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.05498	0.3
57.03425	0.3
64.03207	0.2
67.05483	1.1
68.20426	0.2
69.03409	1.0
69.07048	0.9
70.06552	0.2
71.04965	0.3
78.04688	1.4
79.05476	4.2
79.96281	0.2
81.03387	0.3
81.07034	2.1
85.02901	1.6
91.05465	2.6
93.07043	1.5
95.04941	1.3
95.08592	1.6
97.02845	0.3
103.05463	3.6
105.06350	0.4
105.07009	6.3
106.04137	0.9
107.04939	6.7
107.08611	0.4
109.06503	0.8
115.05422	1.5
117.06982	1.2
118.04149	0.4
119.04916	0.8
119.08572	0.4
121.06474	2.2
121.10173	0.4
123.04405	4.5
123.08008	0.3
124.05169	3.3
125.05943	0.5
129.06972	0.8
131.04906	7.0
131.08528	1.2
133.06480	5.2
134.03561	0.3
135.04390	0.4
135.08028	1.4
135.11636	0.4
136.05139	0.2
137.05942	2.7
141.06963	0.9
143.04941	0.4
143.06027	0.4
143.08589	0.4
144.05673	0.9
145.02777	0.3
145.06490	2.8
145.10107	0.4
147.04381	1.7
149.05949	1.1
151.03918	1.2
151.07530	2.5
152.04698	2.0
153.05432	0.3
157.06483	0.3
158.07280	1.1
159.08055	1.6
160.05136	0.4
161.05956	6.5
161.09612	0.3
163.07512	9.5
164.81116	0.2
165.09056	0.3
166.06290	0.3
167.07007	100.0
168.07373	0.4
169.06461	0.4
173.05965	1.1
173.09601	1.7
175.07512	2.1
177.05446	1.6
177.09076	1.4
178.05891	0.4
179.07059	1.9
181.05002	0.2
181.08572	3.9
187.07515	2.8
189.09061	0.5
192.07770	0.9
193.08578	11.4
193.10335	0.4
195.10057	0.3
201.09013	1.9
204.07718	0.3
205.08553	1.0
207.10141	0.4
209.08025	0.3
214.39981	0.2
217.08487	0.3
217.19414	0.3
219.10152	2.5
231.07951	0.8
233.11703	1.9
237.11136	1.9
248.08484	0.3
251.12788	0.5
253.21548	0.4
254.21927	0.4
263.10657	0.5
280.10828	0.2
291.10077	1.0
291.81943	0.2
293.37695	0.2
295.13174	0.5
314.89874	0.2
323.12799	1.8
355.11371	0.4
355.15338	6.2
387.17935	7.2
405.19003	17.9
423.20090	1.1
467.90918	0.2
634.46442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.1
55.81340	0.8
57.07055	1.7
61.00181	0.8
64.33299	1.1
65.03928	1.0
67.05496	5.6
69.07040	10.4
79.05473	4.2
79.39827	0.9
81.01313	1.0
81.07040	18.1
82.78580	1.0
83.04987	1.0
83.08599	6.0
91.05456	25.0
92.09287	1.3
93.07024	16.6
95.08582	24.6
97.10145	1.6
98.69620	1.0
105.07014	14.0
107.08585	23.5
109.10152	11.5
117.07001	5.3
119.04919	42.2
119.08540	13.9
121.10122	24.3
123.11684	4.4
128.89745	1.2
129.06963	2.2
131.08549	9.5
133.10107	13.4
135.11653	9.2
137.13235	1.3
143.08519	5.6
145.10126	12.3
147.04388	100.0
147.11693	7.6
149.13254	4.1
155.08456	1.2
157.10121	8.2
159.11647	10.9
161.13193	7.3
163.14833	2.2
169.10175	1.4
171.11623	2.0
173.13252	7.3
175.14801	7.0
177.16360	13.7
183.11700	2.1
185.13239	2.1
187.14809	6.9
189.16389	9.3
191.17891	4.1
199.14793	4.3
201.16356	17.7
203.17940	6.0
211.14806	1.7
213.16365	4.0
215.17934	5.0
221.15376	1.5
225.16389	4.0
227.17931	2.4
229.19444	1.2
232.32970	1.1
239.17923	5.1
241.19411	1.3
243.20941	1.1
247.17018	2.1
248.14182	1.4
255.21060	1.8
273.18579	2.0
285.18253	4.1
299.20233	1.4
335.27481	1.2
391.33325	11.5
401.41681	1.3
409.34521	1.9
437.34055	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81299	2.7
55.05494	9.4
57.07063	15.3
59.04968	4.4
59.27971	1.9
65.03909	2.3
67.05486	15.9
69.03405	13.1
69.07035	4.7
79.05477	24.4
79.78543	2.0
81.07043	26.2
83.04945	11.6
84.42294	2.1
85.06532	9.8
89.06017	3.9
91.05444	44.9
93.07024	53.1
95.04951	10.6
95.08583	25.6
97.06483	8.4
102.39933	1.9
105.06364	3.3
105.07016	73.9
106.07815	3.7
107.08594	33.5
109.06535	18.5
109.10146	9.0
111.88760	2.1
115.05391	2.6
117.07021	20.1
119.07711	4.0
119.08559	100.0
120.09316	2.7
121.06481	10.7
121.10126	32.8
123.08030	19.4
125.05930	17.6
128.06187	4.7
129.06996	16.2
130.07764	4.2
131.08524	35.6
132.09360	3.5
133.06444	8.5
133.10114	36.6
133.52469	2.3
134.10901	3.5
135.08034	28.4
135.11653	5.2
137.05969	4.6
137.09604	18.8
141.06894	3.5
142.07736	16.1
143.08557	36.0
144.09312	12.4
145.10097	56.6
146.10846	2.9
147.08023	40.6
147.11684	10.0
148.08875	2.2
149.09596	14.7
151.07523	16.7
155.08583	19.6
156.09290	11.1
157.10089	45.3
158.10893	4.3
159.07990	10.2
159.11682	33.3
161.09584	8.8
161.13219	8.4
163.11156	24.9
165.09062	58.0
167.08620	2.6
168.09341	4.7
169.10014	18.0
170.10849	5.1
171.11639	25.6
172.12440	2.6
173.09552	10.0
173.13239	10.3
175.11151	31.2
175.14809	3.4
177.09088	3.1
179.08441	3.3
180.11549	2.8
181.10164	9.6
181.12184	14.5
182.10892	8.8
183.11687	16.8
185.09590	10.6
185.13173	17.9
187.11186	10.4
188.11858	4.0
189.12735	12.1
190.13510	10.8
191.10597	3.8
193.12236	17.2
194.10867	3.3
195.11670	15.2
196.12425	4.8
197.13161	18.4
199.11136	12.4
200.12035	2.6
201.12766	9.2
203.14265	23.7
205.12079	3.0
207.11877	5.0
207.13786	15.7
208.14511	3.4
209.13252	10.3
211.11198	3.6
211.14809	9.8
213.12770	9.6
215.14270	3.8
219.11661	2.8
219.13713	10.8
221.13306	6.8
221.15305	76.4
222.13927	2.3
223.14792	4.3
225.12749	8.5
225.16270	4.2
227.14333	4.7
231.13782	3.4
233.13275	3.6
233.15417	3.7
234.16095	14.0
235.14795	2.7
237.12703	3.6
237.16257	4.2
239.14352	3.0
240.18419	2.8
241.15863	3.6
247.16911	26.4
248.17635	3.4
251.14291	2.7
259.16861	3.1
260.15329	2.6
263.18021	2.5
269.15167	3.3
271.16882	8.4
274.19217	8.9
279.17374	2.4
281.18872	2.6
287.20074	5.3
297.18518	4.0
299.20044	14.5
307.20605	2.9
311.20059	4.6
312.20795	11.9
313.21609	9.6
325.21600	18.1
337.21533	4.3
339.23108	3.6
340.23923	22.7
352.23837	28.6
365.24728	4.3
366.25107	3.1
380.38773	2.4
413.26880	11.5
419.29309	8.5
420.30118	4.3
425.26721	22.7
426.27188	4.4
427.28406	22.1
440.29050	69.2
505.31857	2.9
507.34064	3.4
520.35406	57.8
600.41656	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.0
53.20113	2.4
54.79506	2.1
55.01855	3.3
55.05493	16.6
55.05722	2.1
57.07071	4.4
59.04960	2.6
65.86349	2.4
67.05492	27.6
69.03422	5.9
69.07046	20.9
71.04977	3.7
79.05471	32.7
81.07042	36.0
83.04958	14.9
83.08595	11.9
84.27567	2.4
85.06527	5.3
89.84843	2.2
91.05466	59.3
92.09285	3.7
93.07021	62.7
95.04934	22.1
95.08586	29.9
97.06491	15.2
103.05437	2.8
105.06358	4.8
105.07018	100.0
107.04942	4.4
107.08592	60.6
109.06496	10.2
109.10155	28.1
111.08078	3.1
115.05397	3.2
117.07002	29.5
119.08562	73.1
121.06490	14.0
121.10134	49.6
123.08059	31.9
125.09612	12.1
128.06180	15.3
129.06975	24.4
130.07753	12.8
131.08542	53.0
132.09355	3.2
133.06488	4.9
133.10110	43.3
135.08025	15.4
135.11664	5.9
137.09593	9.3
139.11084	3.6
141.06984	15.6
142.07768	43.4
143.08549	58.7
144.09349	19.0
145.06465	6.2
145.10104	62.0
147.08035	13.9
147.11650	20.0
149.09586	15.1
153.06923	4.2
154.07718	3.3
155.08566	30.2
155.10649	10.4
156.09348	27.5
157.10100	79.2
158.07231	2.7
158.10832	11.1
159.08092	22.4
159.11655	39.6
160.08783	3.9
161.09587	12.2
161.13219	9.2
163.11148	2.5
165.06955	9.2
165.09137	3.7
167.08536	14.1
167.10620	12.0
168.09332	9.6
169.10098	39.7
170.10890	12.1
171.11658	48.0
172.12506	4.3
173.09584	12.9
173.13266	21.7
175.11183	15.6
175.14842	4.3
179.08533	23.0
180.09305	10.5
181.10068	30.9
182.10870	14.7
183.11658	33.1
185.09596	4.0
185.13165	18.6
187.11165	3.2
187.14809	4.3
192.09331	9.1
193.10060	24.9
193.11876	2.4
194.10939	14.6
195.11673	29.5
196.12393	12.1
197.09615	5.6
197.13196	26.5
198.14049	3.1
199.11182	4.8
199.14783	3.3
201.12714	9.8
205.10028	4.4
206.10904	5.5
207.11731	20.1
208.12476	6.0
209.13232	24.2
210.14046	3.8
211.14824	16.2
212.11928	2.9
213.12770	5.7
213.16304	4.2
215.14230	5.6
220.12480	10.5
221.13176	13.4
221.15314	10.3
223.14778	18.4
225.16365	4.0
231.11658	3.4
233.13231	9.1
233.15393	14.7
234.13992	3.9
234.16217	3.2
235.14777	17.4
237.16397	10.8
245.13135	3.7
247.14876	5.8
249.16315	4.8
251.17928	3.1
255.17337	33.5
259.14694	5.1
261.16309	10.8
263.17795	2.9
267.17194	3.2
273.16202	4.7
279.17416	3.4
285.16193	4.1
286.19189	2.7
383.25989	4.5
402.56995	2.9
421.46271	2.7
531.36139	3.1
600.41211	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75551	1.3
51.02369	1.4
51.40401	1.2
53.03926	2.8
54.15648	1.4
55.01846	1.5
55.05505	20.2
57.07066	11.3
59.04990	3.3
65.03928	2.6
67.05487	25.6
69.03417	14.0
69.07059	16.6
71.04984	3.3
79.05474	33.5
81.07034	36.6
83.04957	17.8
83.08583	7.3
85.06501	6.1
88.78517	2.0
91.05457	49.4
93.07022	75.7
95.04948	21.0
95.08587	39.5
97.06520	8.9
105.04501	1.8
105.07008	100.0
106.07236	1.8
106.07859	2.5
107.04948	3.3
107.08569	51.9
109.06517	18.9
109.10136	18.8
109.11329	1.8
111.08080	6.9
115.05440	9.4
116.06173	1.8
117.06991	27.1
119.08556	86.4
121.06490	18.5
121.10120	45.2
122.07317	1.9
123.08037	28.0
123.11677	3.4
125.05920	2.9
125.09592	2.6
128.06174	13.8
129.07007	25.7
130.07774	11.4
131.07635	2.4
131.08530	52.2
132.09297	2.0
133.06505	6.8
133.10101	47.4
135.08026	23.1
135.11684	10.0
136.08823	1.6
137.06001	1.8
137.09569	12.5
139.84724	1.7
141.06956	11.4
142.07762	35.1
142.08698	2.5
143.08545	61.2
144.09343	13.6
145.06514	3.6
145.10103	62.1
146.07307	2.6
147.08034	34.2
147.11696	14.2
149.09608	16.9
149.13222	1.9
151.07513	13.4
153.06927	3.9
154.07776	8.1
155.08560	18.9
156.09352	27.7
157.10098	70.8
158.10887	8.7
159.08017	17.2
159.11653	38.0
160.08800	2.1
161.09584	17.5
161.11803	1.6
161.13216	5.9
163.11119	13.7
165.06952	10.0
165.09071	30.4
166.07767	2.4
167.08524	12.3
167.10684	6.3
168.09317	9.6
169.10077	28.0
170.10840	16.7
171.08069	2.4
171.11661	30.2
172.12439	2.1
173.09610	10.0
173.13252	17.2
174.10207	1.8
175.11140	24.0
175.14850	2.4
177.12773	2.0
179.08594	13.9
180.09297	9.6
181.10104	22.3
181.12224	3.2
182.10941	12.1
183.11644	23.9
184.12485	3.6
185.09645	2.5
185.13223	15.3
187.11148	7.0
187.14764	2.3
189.12697	14.4
190.13414	3.0
192.09329	4.0
193.10118	17.1
193.12210	7.9
194.10896	12.1
195.11668	27.4
195.13399	2.6
196.12405	7.1
197.09578	3.2
197.13219	20.4
198.10358	1.7
199.11157	7.1
199.14813	6.0
200.72360	1.7
201.12659	6.6
203.14293	19.6
205.10141	2.4
206.10881	7.1
207.11671	13.8
207.13780	10.2
208.12479	10.7
208.14403	2.2
209.09698	1.9
209.13217	18.3
210.14005	3.3
211.11107	3.1
211.14807	12.6
213.12733	8.7
213.16362	1.8
215.14258	3.2
217.10063	3.1
219.11710	3.5
219.13736	3.5
220.12416	6.6
221.13196	12.5
221.15366	44.0
222.13966	2.5
223.11206	2.8
223.14799	10.9
225.12698	6.1
225.16263	5.4
226.13585	1.7
227.14383	2.3
231.11644	3.6
232.12497	3.4
233.13184	9.7
233.15338	14.8
234.14084	2.0
235.14819	8.3
237.12700	3.4
237.14507	11.5
237.16769	2.9
239.14178	3.1
241.15816	1.8
243.11720	1.8
243.14119	2.0
244.12283	2.1
245.13136	2.8
246.13995	3.3
247.14720	6.9
248.13847	3.7
249.16368	2.3
251.14154	2.4
253.15866	3.4
255.17368	17.6
259.14645	2.0
261.16284	6.9
263.17719	2.2
265.04340	2.1
269.18973	3.0
269.37842	1.6
270.19684	2.8
271.17047	2.4
273.18500	2.4
274.19473	3.8
275.17899	2.3
277.19604	2.1
279.17294	3.0
285.18408	2.3
286.19287	8.7
287.20087	3.8
289.19421	2.8
294.19693	3.5
299.20105	8.3
303.19440	31.4
309.18399	2.0
312.20844	3.2
313.21591	6.5
325.21613	9.0
337.21536	2.5
352.23923	46.0
365.24854	11.7
383.25543	3.7
448.63077	2.0
502.34213	7.1
503.35284	2.8
505.33054	3.1
507.34473	8.6
508.34778	2.2
520.35443	38.9
594.23199	1.8
598.92859	1.9
600.41052	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	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49311	0.1
52.94081	0.1
55.01864	0.1
55.86979	0.1
60.12313	0.1
61.02932	0.1
67.05501	0.2
69.03406	0.3
73.02880	0.1
81.03403	0.2
85.02866	1.2
91.05470	1.2
91.42847	0.1
92.05292	0.1
92.09276	0.2
93.07069	0.2
97.02868	0.8
105.07002	0.7
107.04959	1.2
115.05423	1.0
116.06194	0.3
117.06981	1.1
121.06453	0.2
127.94539	0.2
128.06212	2.3
129.06972	7.8
131.04959	0.3
131.08545	8.1
132.05750	0.3
133.06453	1.3
133.10083	0.6
137.05939	0.2
141.06966	2.4
142.07747	0.7
143.04857	0.2
143.08514	1.7
144.05690	3.1
145.06476	2.9
146.07266	1.0
147.04327	0.6
147.08037	0.3
149.05934	0.2
152.06143	0.2
153.07010	0.8
155.05992	0.3
156.05621	0.7
157.06476	4.1
158.07259	1.4
159.08023	16.0
160.05188	0.3
160.08804	0.2
161.05972	0.8
161.09575	4.0
167.06963	1.2
169.06360	0.4
169.07594	1.0
170.07251	3.1
171.07994	3.2
172.05145	1.1
173.05960	1.7
173.09573	0.3
174.06740	1.2
175.07503	1.6
178.06233	0.6
181.06305	0.2
181.08672	0.3
184.05217	0.2
185.05925	0.3
186.06691	0.6
187.07498	11.7
188.08209	0.7
189.05580	0.5
189.09061	5.9
190.06218	0.6
190.09705	0.2
191.07019	0.5
192.07736	0.3
193.08565	0.7
198.06729	1.2
199.07480	1.6
201.05467	0.2
201.09004	0.3
203.07008	2.1
204.07771	6.9
205.08569	1.3
206.09261	1.0
207.10138	0.6
216.07797	2.2
217.08444	0.5
218.09386	1.0
219.10103	3.4
221.08011	0.3
221.11670	2.1
231.10115	3.7
233.11575	1.0
234.08842	0.3
237.11148	0.6
249.11157	100.0
250.11462	1.1
251.12714	1.9
267.12198	4.0
333.57819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
61.02903	0.3
62.83564	0.3
66.18388	0.3
69.03408	1.6
81.07024	0.4
83.04956	0.3
85.02907	2.7
91.05467	1.8
92.09350	1.4
93.07027	0.4
95.08588	0.4
97.02872	1.5
105.07014	1.2
107.04955	1.2
115.03944	0.6
115.05444	1.6
115.63246	0.3
117.07005	0.5
121.06454	0.3
126.09126	0.3
128.06213	3.3
129.06982	7.1
131.04875	0.3
131.08553	8.3
133.06456	0.5
133.10077	1.5
137.06009	0.3
141.06985	2.5
142.07777	0.5
143.08540	1.5
144.05666	2.7
145.06444	2.2
146.07254	1.4
147.04425	0.5
153.06926	0.4
156.05724	0.4
157.06502	3.3
158.07207	0.6
159.08026	15.0
161.05913	0.6
161.09604	3.8
167.06990	1.9
169.07617	1.5
170.07233	3.3
171.07985	3.8
172.05150	0.6
173.06001	1.6
174.06686	0.7
175.07562	1.8
177.05516	0.4
178.06148	0.4
181.04984	0.4
187.07524	12.3
189.05453	0.5
189.09116	5.8
192.07771	0.3
193.08612	0.5
198.06731	1.5
199.07553	1.6
201.05534	0.4
203.07011	1.4
204.07784	6.8
205.08531	0.7
206.09393	0.5
209.24922	0.4
216.07771	3.0
217.08470	0.4
218.09242	0.4
219.10066	3.3
221.08167	0.3
221.11694	2.0
231.10181	3.5
234.08736	0.7
235.37883	0.3
237.11191	0.7
239.82231	0.4
249.11176	100.0
267.12274	3.8
376.83179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26496	0.3
55.01848	0.8
55.05488	0.4
57.03416	0.5
65.57779	0.3
67.05474	0.6
69.03412	3.1
69.07034	1.4
71.04954	0.7
79.05460	1.3
81.03394	2.8
81.07040	1.3
82.78430	0.3
83.04929	0.3
85.02873	4.2
85.51389	0.3
86.09691	0.3
87.04428	0.5
87.56562	0.3
89.03885	0.3
91.05466	2.4
91.05928	0.3
93.06998	1.2
95.04943	0.6
95.08582	0.7
97.02879	2.7
97.03433	0.4
97.06500	0.4
99.04420	0.6
101.05981	0.3
101.97558	0.3
102.09185	0.4
103.05432	0.5
105.06980	2.1
107.04922	1.5
107.08556	0.6
109.02879	0.8
109.10157	2.6
113.05982	0.4
115.03924	0.5
115.05427	1.4
115.07536	1.8
117.03330	2.5
117.06977	1.4
119.04898	0.5
121.02839	0.4
121.06437	1.2
121.10126	0.5
123.04360	0.5
125.09606	0.5
127.03888	1.2
128.06186	2.0
129.06975	6.6
131.08549	8.5
133.06433	1.5
133.10117	0.6
135.08018	0.4
137.05936	1.4
137.09587	3.3
141.06963	3.0
141.57117	0.3
142.07832	0.5
143.08533	2.0
144.05681	3.3
145.02834	7.1
145.06462	3.5
145.10078	0.4
146.07196	0.6
147.04382	0.8
147.08032	0.3
149.05937	2.1
153.06955	0.8
155.10570	0.4
156.05739	0.4
157.06482	4.2
158.07167	0.4
159.08028	16.0
160.08855	0.4
161.05954	1.8
161.09555	4.1
162.60426	0.3
163.03822	1.2
165.09090	1.5
167.06998	6.9
167.14386	0.4
168.07445	0.5
169.06358	0.7
169.07590	1.6
170.07271	3.1
171.07962	2.5
172.05133	0.7
173.05983	2.4
174.06641	0.7
175.07480	2.2
177.05434	12.6
178.06168	0.5
181.04982	2.5
182.05257	1.4
187.07491	11.1
187.09138	0.4
189.05463	1.2
189.09109	5.0
190.06203	0.7
191.06958	1.4
192.07742	0.6
193.08629	0.3
198.06737	1.6
199.07510	2.1
201.05392	0.7
201.09122	0.6
203.06963	1.9
204.07785	7.5
205.08528	2.2
206.09349	0.6
207.06398	0.4
209.08087	0.4
213.16522	0.4
216.07793	2.1
217.08565	1.2
218.09230	1.4
219.10094	2.9
221.11661	2.4
223.06110	0.4
227.09088	0.4
231.10130	4.8
233.11699	2.4
234.06229	0.4
234.08617	0.6
249.11169	100.0
250.11455	0.5
251.12711	0.7
253.17952	0.4
267.12274	5.1
271.18890	0.4
289.16302	0.5
339.10400	0.5
355.12128	0.4
367.11877	0.4
402.16754	0.5
420.17194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40644	0.0
55.01868	0.1
55.05490	0.1
56.05810	0.1
57.03420	0.4
61.02903	0.1
64.33566	0.0
65.03928	0.0
67.05474	0.4
69.03410	0.8
70.60220	0.0
71.04959	0.1
73.02889	0.3
76.66030	0.0
78.04672	0.0
79.05447	0.3
81.03377	0.3
81.07005	0.1
85.02880	1.1
87.04454	0.1
91.05450	1.6
92.08662	0.1
93.07008	0.1
95.04931	0.1
97.02863	0.9
100.07568	0.1
100.11239	0.2
103.05424	0.3
105.06997	0.9
107.04267	0.1
107.04932	1.4
107.08558	0.1
109.02878	0.1
109.10129	0.1
111.04399	0.2
115.03992	0.1
115.05406	1.5
116.06213	0.6
117.06213	0.1
117.06988	1.3
119.04904	0.4
119.08574	0.1
121.06444	0.4
123.04403	0.1
127.03892	0.1
127.05403	0.1
128.06181	2.5
128.07111	0.1
129.06970	7.7
130.07686	0.3
131.04886	0.5
131.08533	9.8
132.05649	0.3
133.02832	0.1
133.04935	0.1
133.06447	1.6
133.10092	0.7
137.05914	0.1
139.05360	0.1
141.06955	2.9
142.07767	1.0
143.04880	0.2
143.08536	2.1
144.05670	3.5
145.02798	0.1
145.06453	2.6
145.10098	0.2
146.03534	0.1
146.07240	1.3
147.04388	0.8
147.08006	0.3
152.06117	0.1
153.05557	0.1
153.06927	1.1
154.06232	0.1
155.04851	0.2
155.06006	0.4
155.07091	0.1
155.08478	0.1
156.05659	0.7
157.06450	4.5
158.07249	1.1
159.08014	16.3
160.05171	0.4
160.08647	0.1
161.05959	1.0
161.09572	4.3
162.06729	0.1
163.07475	0.1
167.04808	0.2
167.06981	1.9
168.05606	0.1
169.06398	0.7
169.07585	1.4
170.07220	3.1
171.04372	0.1
171.07991	3.6
172.05145	1.3
172.08704	0.1
173.05940	2.1
173.09509	0.4
174.06702	1.3
175.03995	0.1
175.07491	1.6
177.05414	0.4
177.09045	0.1
178.06204	0.5
179.05460	0.1
179.06979	0.1
181.06345	0.3
181.08534	0.3
182.15372	0.1
183.15704	0.1
184.05180	0.2
185.05956	0.5
185.09567	0.1
186.06723	0.4
187.07492	12.3
188.08237	0.7
189.05429	0.8
189.09055	5.4
190.06168	0.8
190.09621	0.1
191.06979	0.8
191.10539	0.1
192.07741	0.5
193.08606	0.5
198.06735	1.1
199.07491	1.9
200.08289	0.1
201.05434	0.6
201.08954	0.4
203.06978	2.3
204.07773	8.3
205.08543	1.4
206.09303	0.7
207.06461	0.3
207.10152	0.4
210.14799	0.1
211.15178	0.1
216.07767	2.6
217.08528	0.8
218.09344	0.9
219.06558	0.1
219.10115	3.2
220.10829	0.1
221.08211	0.7
221.11667	2.2
229.11700	0.1
231.10103	4.5
233.11626	0.9
234.08778	0.7
237.11156	0.7
249.11148	100.0
250.11484	1.2
251.12701	1.2
267.12195	3.0
385.16312	0.1
591.99597	0.1
599.41486	0.1
600.41321	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	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03407	0.3
61.02920	0.4
67.05476	0.6
67.31194	0.2
69.03416	2.5
71.04979	0.4
73.02894	0.3
79.05475	0.6
81.03398	1.4
81.07030	0.5
83.08596	0.3
84.88120	0.3
85.02887	4.4
86.09705	0.4
87.04447	0.4
91.05438	2.8
92.09222	0.4
93.07026	1.1
95.04944	1.1
95.08592	0.6
97.02877	2.1
97.06511	0.5
99.04451	0.3
103.05426	0.5
105.03370	0.3
105.07022	2.0
107.04951	1.4
107.08559	1.0
109.02812	0.4
109.10193	0.8
111.08063	0.3
115.05401	1.7
116.06226	0.5
117.03291	0.2
117.06995	1.3
119.04884	0.6
119.08527	1.0
121.06493	1.1
121.10142	0.4
123.04366	0.4
124.05209	0.3
127.03887	1.2
128.06169	2.6
129.06982	7.9
130.07721	0.3
131.04840	0.5
131.08548	10.3
132.05638	0.4
133.06485	1.5
133.10078	1.6
137.05923	1.3
137.09586	1.0
141.06982	2.8
142.07764	0.6
143.04895	0.3
143.08572	1.9
144.05684	4.6
145.02795	1.3
145.05017	0.5
145.06464	2.7
146.07269	0.6
147.04366	2.2
147.07979	0.3
149.05995	0.5
151.07471	0.3
153.06941	1.0
155.06009	0.5
156.05699	0.6
157.06465	4.8
158.07228	1.1
159.04370	0.3
159.08026	18.0
160.05130	0.5
161.05939	1.7
161.09601	4.0
167.07010	5.3
169.06369	0.5
169.07593	1.4
170.07199	2.7
171.07986	4.5
172.05148	1.6
173.05934	2.1
174.06735	1.1
175.03842	0.4
175.07501	1.5
177.05409	3.5
178.06276	0.3
180.08618	0.6
181.04944	0.5
185.05904	0.4
187.07510	13.1
188.08282	1.4
189.05453	0.6
189.09044	5.6
190.06175	0.4
191.03394	0.2
191.07050	0.6
192.07666	0.5
193.04822	0.2
193.08516	1.1
198.06740	1.2
199.07542	2.2
201.05409	0.4
203.07057	2.0
204.07782	8.5
205.08553	1.3
206.09364	1.0
206.83873	0.2
207.06548	2.0
207.10132	0.4
209.08073	0.4
216.07770	2.9
217.08609	0.5
218.09233	0.4
219.10127	3.0
221.08142	0.4
221.11717	1.8
223.05882	0.4
231.10094	4.8
234.08772	0.4
237.11223	0.5
249.11171	100.0
250.11520	1.1
253.17793	0.3
267.12192	1.8
271.19064	1.1
279.08578	0.3
332.54218	0.3
409.47339	0.3
423.45084	0.3
445.60245	0.3
552.21130	0.3
625.63348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01861	2.9
55.05501	1.5
57.03421	2.7
61.02907	1.7
67.05502	5.3
67.05797	0.7
68.25157	0.6
69.03408	10.2
69.07045	4.0
71.04967	3.0
71.17937	0.6
73.02894	0.7
73.84429	0.6
79.05472	6.7
81.03400	6.9
81.07039	7.0
83.04955	1.5
83.08605	1.4
85.02897	17.4
85.06500	0.8
87.04438	1.7
91.05457	9.6
92.08835	1.0
93.07024	6.1
94.04174	1.3
95.04932	4.0
95.08589	7.9
97.02869	7.1
97.06512	1.2
98.71004	0.7
98.97545	0.9
99.04391	1.3
99.08080	1.0
103.05468	1.2
105.03364	5.2
105.07004	5.2
107.04935	10.2
107.08567	3.6
109.02869	3.4
109.06492	3.3
109.10134	9.1
111.04422	1.0
111.08080	1.1
113.05966	0.8
115.03902	0.7
115.05428	3.3
116.98602	0.9
117.07005	6.1
119.04919	3.4
119.08540	3.6
121.02804	1.2
121.06497	1.7
121.10134	4.9
122.03662	6.2
123.04402	3.7
123.08068	1.1
123.11636	1.1
124.05180	1.7
125.05972	2.7
127.03880	3.4
127.07504	0.7
128.06238	1.6
129.06941	5.2
131.04913	3.7
131.08572	7.7
133.06491	1.4
133.10120	3.1
135.11668	2.8
137.05957	100.0
137.09601	7.7
141.06956	3.5
142.07767	1.0
143.04895	2.9
143.08539	1.2
144.05676	3.6
145.02827	1.4
145.04901	1.0
145.06490	9.2
147.04393	3.1
147.11682	1.0
149.05914	5.2
149.13219	1.2
151.03897	10.0
151.07515	7.0
152.07057	3.3
153.05406	0.8
156.05673	8.4
157.06499	4.3
158.07234	1.3
159.07999	12.7
160.05196	5.2
161.05956	4.7
161.13173	0.8
163.03870	1.5
163.07526	1.4
165.09044	4.0
166.06122	1.0
167.07002	32.4
169.06367	1.0
169.27333	0.8
170.07243	3.5
171.08083	1.4
172.05132	1.2
173.05968	11.9
173.09589	1.0
175.07513	19.3
177.05453	4.2
181.04909	0.9
181.08551	3.1
184.05148	1.4
186.06796	1.2
187.07504	22.3
188.08318	1.0
189.06892	0.8
189.09033	3.2
190.06248	6.1
193.08560	1.6
198.06752	1.4
199.07449	1.2
201.09122	2.8
202.06239	3.2
203.06992	1.6
203.08675	0.9
204.07771	6.2
205.08542	15.0
205.10277	1.0
207.19127	0.7
209.08031	1.1
215.07040	1.0
216.07780	0.9
217.06664	0.9
217.08540	26.9
217.19547	1.6
218.09062	1.1
219.08171	1.1
219.10092	6.2
220.08720	1.0
221.09665	1.4
231.07986	1.2
231.10074	11.4
233.09535	3.6
234.06639	1.5
235.07570	1.7
235.09627	5.1
237.02725	1.2
241.08418	0.9
247.09596	6.1
248.08264	1.3
249.08948	3.8
249.11241	5.3
252.07765	0.8
253.17870	0.8
261.09070	4.6
262.09921	1.3
263.06873	1.0
263.10696	1.4
265.10751	4.9
266.09329	1.1
271.22531	0.9
275.47189	0.8
276.12167	6.8
277.08643	3.0
278.09216	1.6
279.10406	0.8
285.07559	3.1
291.10123	3.1
293.11743	2.8
295.09778	0.9
295.13190	0.8
300.09818	1.5
306.08905	0.9
307.09512	1.1
309.11160	2.8
321.11200	2.8
323.09262	1.6
323.12888	1.0
327.14346	1.2
338.11365	1.1
341.13858	4.7
353.13812	12.1
355.15274	20.3
371.14938	15.0
385.16238	2.9
471.18851	0.9
541.19440	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	600.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.01857	0.6
55.05497	0.8
56.96321	0.5
57.03432	3.1
61.02914	0.4
64.99405	0.4
67.05491	1.7
69.03413	3.4
69.07041	0.8
71.04971	1.0
72.08147	0.6
73.02895	1.9
73.48129	0.3
75.04462	5.8
78.04713	0.6
79.05474	3.0
81.03402	8.3
81.07035	1.8
82.07349	0.4
82.28612	0.4
83.04943	0.6
83.79833	0.4
85.02895	4.8
86.09681	0.9
87.04466	0.4
89.03892	2.8
91.05468	2.9
93.07001	1.8
95.04950	1.9
95.08574	1.8
97.02863	3.0
99.04395	0.8
103.05441	2.4
105.07026	0.9
107.04938	4.6
107.08555	0.7
109.02855	3.1
109.06464	0.8
109.10131	2.8
111.08093	0.5
113.90711	0.4
115.05472	0.5
116.06968	0.5
117.03354	19.6
117.07024	3.1
119.04915	0.6
121.06516	3.2
121.10136	0.6
122.03604	0.5
123.04414	3.1
124.05180	0.7
127.03866	0.8
128.06165	0.6
129.06995	2.3
131.04892	2.6
131.08548	3.5
133.02849	0.5
133.06512	1.5
133.10150	0.9
134.03557	1.6
135.04407	2.7
137.05994	3.1
137.09573	3.9
140.04616	0.5
141.06917	0.9
143.08585	0.7
144.05693	0.9
145.02834	65.1
145.06467	5.3
145.10129	0.7
147.04372	1.0
149.05962	10.4
155.07034	0.8
156.05701	2.3
157.06451	2.0
158.07254	0.4
159.07988	5.2
161.05959	1.7
161.09508	1.6
163.03853	1.0
165.05405	0.5
165.09074	1.8
167.07001	32.6
169.06339	0.5
170.07220	0.8
171.08049	0.9
173.05937	8.4
175.07491	0.8
177.05435	100.0
180.92094	0.5
181.08577	0.6
183.06502	1.6
187.07504	4.4
189.05446	0.7
189.09042	1.7
190.06219	4.3
191.07014	0.7
193.08533	0.6
195.06532	1.0
199.07454	0.5
202.06291	1.0
203.06905	0.7
204.07826	2.3
205.06683	0.7
205.08568	8.6
209.08073	2.8
215.06981	0.8
217.08574	10.6
219.10097	1.6
220.58907	0.4
227.09122	4.0
231.10104	3.6
235.09703	1.7
247.07500	1.2
247.09625	1.9
249.11160	21.0
253.17993	0.6
257.00461	0.4
265.10764	3.6
267.12277	0.6
269.12610	0.6
271.09628	0.7
277.08774	0.5
290.09717	0.5
291.10349	0.6
307.09482	0.6
315.08527	0.9
321.09689	4.1
323.12714	0.5
327.14566	0.5
330.10849	0.9
339.10660	6.1
351.12106	0.6
368.12582	1.6
383.14948	3.7
385.16373	2.1
401.15933	1.8
441.79272	0.4
450.19403	0.6
534.78918	0.5
599.29950	0.5
600.31219	0.7
615.22241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3181
Annotation	BE 18257A
Peak:m/z	Relative Intensity
53.64941	0.3
61.78235	0.3
64.80138	0.3
68.22778	0.3
83.12125	0.3
87.78165	0.3
92.08806	2.2
179.04022	0.5
219.59805	0.5
237.02722	0.5
279.88278	0.4
324.99799	0.4
455.24216	0.8
521.09705	0.5
532.91583	0.5
599.31787	100.0
600.31970	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74931	2.3
54.52806	2.6
54.81803	3.0
55.05499	5.5
57.07063	15.0
59.04978	4.0
67.05483	18.9
68.53452	2.4
69.03405	20.0
69.07048	5.3
79.05483	23.3
79.29704	2.7
81.07030	21.3
83.04979	3.4
85.06519	5.0
89.49944	3.1
91.05460	24.8
93.07019	39.9
95.04936	11.5
95.08586	27.0
105.07023	47.1
107.08578	22.5
109.06487	5.8
109.10155	5.1
117.06993	11.0
119.08554	49.3
121.06467	6.4
121.10150	22.5
123.08042	17.9
125.05881	3.2
128.06172	3.2
129.06952	5.9
131.08548	19.9
133.10130	22.1
135.08037	15.0
135.11670	3.2
137.09598	26.9
142.07762	15.9
143.08525	21.3
145.10114	27.2
147.08047	36.6
147.11638	3.6
149.09589	6.6
151.07497	17.0
155.08513	6.8
155.31078	3.4
156.09315	6.5
157.10100	30.9
159.08047	6.9
159.11632	16.3
160.57883	2.9
161.09610	5.4
161.13188	4.4
163.11174	5.7
165.09079	65.7
167.08473	5.1
169.10086	16.9
170.10867	3.4
171.11662	16.4
173.13206	5.8
175.11124	5.3
181.10072	4.5
181.12230	4.5
183.11650	21.1
185.13176	6.7
187.11125	4.5
189.12682	6.2
193.10115	3.6
195.11670	5.7
197.13199	13.4
199.14714	3.5
203.14366	24.5
206.10947	3.4
207.11711	3.5
207.13734	5.6
211.11189	4.5
221.13240	6.5
221.15318	71.9
247.16895	16.3
281.49338	2.8
287.19855	4.4
299.20032	5.0
391.26108	4.6
507.34479	14.9
519.35364	4.5
599.32147	4.6
599.40894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.8
53.03936	1.3
55.01856	1.8
55.05500	9.5
56.96550	1.9
57.03423	33.3
58.00679	1.0
58.87016	0.9
59.04981	7.5
61.02909	1.8
65.03913	1.3
67.05483	16.4
69.03410	100.0
69.07044	5.4
71.04976	6.0
72.19749	1.1
73.02915	1.9
75.04458	6.3
79.05456	18.8
81.03413	2.5
81.07033	34.1
83.04954	4.7
83.08624	2.4
85.02885	82.3
85.06527	6.8
86.03190	1.1
87.04442	42.9
91.05453	45.5
93.07018	21.5
95.04945	2.3
95.08569	18.4
97.02863	60.4
97.06509	4.0
98.97562	1.3
99.04436	6.0
99.08086	4.4
101.05983	4.5
105.07011	39.6
107.04986	3.8
107.08575	11.2
109.06494	2.0
109.10134	5.2
110.97540	1.1
111.04471	1.4
111.08065	4.7
115.03907	32.5
115.05383	1.4
117.01377	1.1
117.06991	14.2
119.08554	20.8
121.06457	1.3
121.10146	7.6
123.08070	6.0
127.03899	5.5
127.07554	1.1
128.06139	1.8
129.06952	10.3
130.07764	1.5
131.00137	2.3
131.08539	26.2
133.04930	13.6
133.10107	14.3
135.07980	1.2
135.11674	2.4
137.05966	4.9
141.06985	2.1
142.07794	1.8
143.08533	10.6
144.09344	4.5
145.02898	1.3
145.05022	1.4
145.06477	1.2
145.10101	37.9
147.08034	1.1
147.11658	11.8
149.01236	5.4
149.09636	1.2
149.13237	1.5
152.04109	1.3
155.08514	6.0
157.10101	17.7
159.11650	43.4
161.09590	1.4
161.13197	11.5
167.07042	6.0
169.10115	7.0
171.11646	12.5
173.13165	9.3
175.11200	1.6
177.05505	4.2
179.08368	1.3
180.09285	1.4
181.10170	4.8
183.11679	5.2
185.13242	11.1
186.14030	4.8
187.11227	1.9
187.14807	9.1
193.08554	1.8
193.12222	1.2
194.10832	1.2
195.10156	2.2
195.11699	16.4
197.13234	4.9
199.14856	4.2
205.08577	1.7
205.12241	1.1
209.13211	16.1
211.14758	2.3
213.04248	1.2
213.12762	1.9
213.16472	1.4
219.01915	1.5
222.04590	1.5
222.13950	1.1
223.14835	4.4
225.16370	8.9
227.17920	2.6
229.03871	1.4
236.15633	1.7
245.15416	1.8
251.17920	22.9
256.05206	1.4
269.18912	17.4
287.19913	33.9
303.05063	1.3
318.08578	6.7
318.58719	2.5
334.76483	1.2
376.09534	1.5
384.15097	1.5
442.96652	1.4
467.20102	1.4
517.95978	1.2
563.04816	1.3
599.30487	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.3
53.03927	1.5
55.01867	1.7
55.05503	2.2
57.03172	1.8
57.03428	32.4
59.04974	6.4
67.05482	13.5
69.03416	100.0
69.07042	6.1
71.04966	2.3
72.62280	1.6
75.04452	5.4
79.05471	20.8
81.03384	2.5
81.07037	31.7
85.02889	96.2
85.06518	2.3
87.04448	44.5
91.05463	19.6
92.39397	1.3
93.07021	18.5
95.04932	7.0
95.08578	17.2
97.02872	57.1
97.06495	8.4
99.04434	2.0
105.07014	28.4
107.04926	7.0
107.08601	15.8
109.06526	2.7
109.10121	2.0
111.08060	1.5
115.03915	35.7
115.05453	1.7
117.06991	13.2
118.06527	2.4
119.08574	19.6
121.10107	6.9
122.05986	1.4
123.08047	2.3
125.05964	3.1
125.09550	2.0
127.03902	7.0
128.06178	1.9
129.06973	8.1
131.08543	24.8
133.04955	30.9
133.10095	11.6
135.11633	3.3
137.05923	1.9
140.06967	2.0
141.06960	5.6
142.07698	1.6
143.08563	13.9
144.09323	3.1
145.04900	2.6
145.06438	1.7
145.10107	26.3
146.05981	3.0
147.11707	4.5
148.07591	5.2
155.08533	9.4
157.10112	21.1
159.08026	2.6
159.11668	59.6
161.09564	2.9
161.13191	7.2
163.50705	1.4
164.07028	7.8
165.07025	2.0
167.06956	8.0
167.08310	1.8
168.07347	2.3
168.09375	2.0
169.10065	10.3
171.11653	14.0
173.05856	1.8
173.13234	8.1
175.11038	2.0
177.09138	1.8
179.08456	1.8
181.04906	12.6
181.10085	6.6
182.05296	3.0
183.05388	1.9
183.11647	8.3
185.13231	8.3
187.11238	1.6
189.12727	1.7
194.10832	1.6
195.11668	20.0
196.12317	2.4
197.13216	10.6
199.11130	2.7
199.14749	2.6
201.05557	1.6
204.11398	1.7
205.12022	1.5
209.13200	16.9
211.09564	2.3
221.13390	2.2
221.15382	2.0
223.14742	3.1
225.16371	12.3
227.17900	5.8
233.08026	7.4
234.08400	7.2
235.08586	2.8
236.15593	3.1
241.19440	1.6
242.11612	1.9
243.14984	2.2
251.17963	31.0
259.14377	2.9
263.09195	1.7
264.09415	1.8
265.09604	2.0
269.18948	38.9
270.11203	2.8
272.07907	1.4
287.13873	30.4
287.20001	63.4
305.14944	31.8
305.20905	11.0
400.14523	1.4
417.93210	1.5
419.15875	6.3
434.81009	1.7
560.37903	1.9
599.30518	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	599.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.8
53.03945	1.9
55.01861	5.5
55.05502	1.9
57.03421	10.4
57.07053	2.2
57.12081	0.8
59.04981	1.1
61.02917	15.8
63.81956	0.9
66.10839	0.8
67.05489	23.1
67.80366	0.9
69.03415	53.8
69.07053	4.5
71.04988	10.5
73.02901	6.3
79.05467	5.9
81.03407	10.7
81.07036	6.0
83.04968	4.2
85.02892	100.0
85.06541	5.3
87.04443	6.9
91.03934	5.8
91.05482	1.9
92.63866	1.0
93.07047	2.2
95.04951	41.7
95.08566	2.3
97.02876	27.3
97.06512	15.4
97.10163	1.3
99.04426	5.6
105.07028	4.6
107.04947	1.4
107.08570	4.2
109.02849	7.6
109.10143	6.2
109.77258	1.1
113.05189	2.3
113.05989	66.5
115.03903	2.3
115.42562	1.0
117.13413	0.9
118.48846	1.0
119.08571	1.5
121.10166	1.2
121.45521	1.1
127.03883	20.6
127.14338	0.9
133.04942	1.1
133.19032	0.9
134.90132	1.2
145.04935	27.1
145.10117	2.0
147.04286	1.0
163.06012	5.9
167.06999	2.4
171.11638	1.4
325.11203	2.0
351.25214	2.0
463.04980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97266	0.4
58.41404	0.4
59.04988	11.5
67.05489	6.3
69.03413	18.1
70.65836	0.4
71.04964	1.8
73.06541	2.1
83.04967	0.6
85.06532	2.8
87.04462	4.2
92.08663	0.9
92.09249	1.4
95.04939	12.1
101.05993	1.0
109.06520	0.8
113.05193	0.7
113.05993	19.6
119.08546	0.4
127.07514	3.5
145.08568	11.7
145.09578	0.7
149.02113	0.9
151.44127	0.4
167.06758	12.4
179.76459	0.5
185.07866	1.7
240.08429	0.5
377.20892	1.8
395.21835	16.9
413.22556	0.8
495.30829	4.7
539.21881	0.9
539.29736	22.6
557.30737	100.0
558.30933	1.0
575.31812	11.6
598.33154	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	598.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.2
57.06814	2.8
57.07070	49.7
65.97611	1.9
67.05482	9.2
69.03425	1.9
69.07050	13.9
71.08611	41.6
73.06539	5.2
79.05468	9.0
81.07022	12.1
83.08601	11.6
85.10170	19.3
87.04439	8.1
89.06015	100.0
91.05424	3.3
92.09100	18.1
93.07005	11.1
95.08574	11.6
97.10148	3.9
99.11707	2.4
107.08509	2.1
109.06495	2.4
109.10146	3.4
111.08073	2.4
114.11135	1.9
117.09078	3.2
119.08542	2.4
121.10135	4.5
123.11697	2.5
133.08566	30.8
135.29230	2.0
177.11188	14.0
213.85074	2.0
221.13646	2.6
226.95894	2.3
279.23267	2.6
299.29184	7.8
343.31998	2.9
371.22562	4.7
389.29926	3.2
405.25595	2.1
435.34427	2.8
545.42310	2.7
581.45856	17.1
598.49152	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	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31355	0.5
53.03942	0.9
54.46502	0.5
55.01867	1.3
56.54574	0.5
57.03434	1.2
59.04960	0.6
60.04536	0.7
61.02916	1.4
61.89185	0.6
67.05476	1.3
69.03411	5.3
73.02924	0.9
78.04691	0.8
79.05478	6.5
81.03400	15.1
81.07034	3.3
83.05003	0.6
85.02887	16.7
85.06587	0.6
87.04465	1.3
91.05454	5.9
92.08841	3.9
93.07013	1.4
95.04959	3.0
95.08581	0.9
97.02871	5.3
99.04449	0.9
103.05437	2.8
104.46320	0.6
105.07008	4.3
107.04937	16.3
107.08583	0.8
109.02828	1.0
109.06502	0.8
109.10171	0.7
115.05431	10.1
116.06245	0.9
117.06995	23.9
119.08562	2.4
121.06461	1.1
121.10139	0.7
122.03651	0.7
123.04395	3.9
124.05207	2.9
125.05945	0.8
127.03906	1.5
129.06981	4.8
131.04919	3.4
131.08531	7.6
133.06483	3.2
137.05956	7.6
141.06958	2.6
144.05650	6.4
145.02832	0.9
145.05141	2.3
145.06467	64.6
147.04424	0.8
147.08044	3.1
149.06001	0.8
153.05534	1.3
155.04948	1.2
155.05978	7.1
156.05661	13.7
157.06456	4.0
158.07246	0.9
159.08020	11.8
160.05215	1.5
161.05954	7.2
167.07008	67.5
169.07674	0.7
172.05142	2.4
173.05954	100.0
175.07523	3.3
177.05579	1.0
180.08656	2.9
181.04927	2.6
181.08591	0.9
184.05186	3.8
186.06783	0.8
187.07506	9.8
190.06215	61.3
191.06961	4.1
193.08598	2.9
202.06219	7.3
203.07002	9.7
204.07773	1.0
205.08568	98.5
207.06424	0.9
215.06870	0.8
216.95412	0.6
217.08562	60.0
219.08023	3.0
219.10178	4.8
220.08945	0.9
223.09666	2.8
224.84875	0.6
231.07951	0.7
235.09584	22.1
241.08691	0.7
247.07431	2.8
247.09669	8.1
248.08241	3.0
249.11292	0.7
261.08957	1.0
263.10684	0.9
264.07852	2.4
265.10669	41.6
265.13541	1.4
269.08017	1.3
269.11667	0.8
271.09625	3.9
275.06812	1.0
279.10144	1.1
282.08810	0.9
290.09338	0.7
291.10193	3.0
293.07910	1.5
299.09064	1.2
301.06815	1.0
307.09756	2.2
308.10394	1.2
315.08667	6.7
319.09467	0.7
323.12610	2.6
330.10889	8.4
331.11588	2.6
336.09875	0.8
339.12033	1.0
351.12241	3.6
368.12650	1.0
371.14847	3.2
383.14841	11.8
401.15903	15.4
520.26611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31898	0.3
50.72894	0.4
53.03957	0.9
53.04629	0.4
54.82721	0.4
55.01869	1.8
57.03439	1.8
58.24872	0.4
61.02919	2.8
61.93697	0.4
62.44114	0.4
65.03925	0.4
69.03425	5.2
73.02913	1.0
78.04700	0.7
79.05479	7.4
81.03403	22.6
81.03865	0.9
81.07050	0.7
85.02887	14.9
86.48441	0.4
91.03976	0.7
91.05482	4.2
95.04948	3.3
95.68133	0.4
95.73565	0.4
97.02875	5.7
99.04404	0.5
103.05454	4.0
105.07031	3.3
106.04202	0.6
107.04941	14.2
109.02849	1.1
115.05428	9.7
116.06194	0.7
117.06994	26.8
118.04128	0.5
119.08608	0.5
121.06539	0.9
123.04410	5.8
124.05200	3.0
125.05967	0.8
127.03908	2.1
128.06174	1.8
129.06976	6.2
130.04120	0.8
131.04924	3.0
131.08536	6.8
132.05711	0.9
133.06467	4.1
137.05934	0.7
140.04707	1.0
141.06993	4.2
143.04918	0.8
144.05647	6.4
145.05081	2.1
145.06467	65.5
147.04385	0.8
147.08044	3.3
149.05977	1.0
152.04697	3.0
153.05504	1.5
155.05994	8.2
155.07022	0.7
156.05658	11.4
157.06448	5.5
159.08025	11.9
160.05106	1.0
161.05977	6.5
167.07007	75.1
169.06389	0.7
169.07683	0.8
172.05179	1.8
173.05952	96.2
174.06438	1.0
175.03842	0.9
175.07478	3.0
176.04660	0.5
177.05397	0.7
180.08749	3.6
181.04901	1.9
181.08496	0.7
182.07173	0.5
183.06461	1.9
184.05223	3.2
185.05945	0.6
186.06792	0.8
187.07509	10.7
189.05487	0.9
190.06219	60.0
191.06940	4.4
193.08530	3.6
202.06204	6.9
202.07814	0.6
203.06987	10.7
203.08665	1.0
204.07811	2.1
205.08568	100.0
206.09001	0.6
207.06462	0.8
207.10193	0.7
208.05197	1.0
210.06847	0.7
217.08563	54.1
218.07257	0.8
219.08005	2.5
219.10129	4.8
223.09607	3.9
230.07065	0.6
231.07991	1.0
235.09596	23.8
236.08305	0.6
247.07373	2.6
247.09592	8.4
248.08232	2.3
249.08899	0.8
249.11157	7.8
251.10486	0.7
254.05551	0.7
260.08371	0.6
261.08990	0.8
262.09692	0.6
263.10507	1.8
264.07706	2.6
265.10663	33.2
269.08014	2.8
271.09613	3.3
275.06912	1.0
276.07693	1.1
277.08435	0.7
279.09967	2.0
282.08807	0.8
289.08749	0.5
290.09402	0.8
291.10089	2.2
293.07944	2.3
299.09000	1.0
307.09540	2.4
308.10208	1.7
311.12540	0.9
315.08557	6.7
319.09491	0.7
323.12689	2.3
330.10944	7.2
331.11804	3.4
336.09766	0.8
339.12305	0.7
343.11545	0.8
351.12100	2.5
368.12299	0.6
371.14670	2.3
383.14847	9.9
401.15906	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	598.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01843	0.4
55.05497	0.4
57.03415	1.2
57.07055	0.2
61.02912	0.3
61.64676	0.2
61.99615	0.2
67.05474	1.5
69.03415	7.2
69.07052	1.5
71.04979	0.6
73.02896	0.4
75.84953	0.3
79.05476	4.6
80.73334	0.2
81.03396	15.9
81.06617	0.3
81.07006	2.1
83.04953	0.5
83.08575	0.4
85.02889	9.4
85.03412	0.3
85.06489	0.4
91.05428	0.3
93.07024	1.3
95.04951	5.7
95.08581	2.5
97.02864	9.3
97.06488	0.3
99.04415	2.6
105.03368	100.0
105.07012	0.5
107.08549	0.6
109.02854	9.6
109.10155	0.6
113.05978	0.6
115.03902	0.3
117.06956	0.3
119.08561	0.6
121.02827	1.1
121.10112	0.6
123.04392	9.1
123.07981	0.3
125.09601	0.3
127.03881	6.8
133.04967	0.3
133.10133	0.4
137.05991	0.5
145.04967	1.4
149.09558	0.3
157.10062	0.3
165.05394	0.5
231.06456	0.5
249.07518	19.4
251.20076	0.4
257.20990	0.4
267.08548	15.8
269.21228	1.2
273.38962	0.3
431.79782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2897
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
54.82153	3.2
59.04981	5.0
59.56704	2.7
67.05479	13.4
68.05816	3.0
69.03407	18.5
71.04946	4.1
71.75320	2.5
79.05456	2.5
80.86016	2.7
81.07022	3.7
95.04947	55.1
101.00841	10.4
105.07117	2.9
107.81594	2.6
113.05975	11.5
114.06377	2.9
119.01892	100.0
119.08584	3.0
123.69790	2.6
133.03465	3.7
137.02940	51.9
145.03426	22.8
148.61751	3.2
151.04443	3.5
163.04469	15.8
169.03441	5.9
171.05017	10.8
175.04439	4.4
185.06570	31.4
187.04460	46.0
195.04933	11.7
201.05901	3.8
203.07620	17.8
213.06046	38.6
227.07510	20.1
231.07118	17.9
245.08649	51.9
336.87173	3.0
375.24106	3.2
480.50922	2.9
597.28894	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	597.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01856	1.9
55.05493	0.9
57.03408	1.2
59.82453	0.4
61.02906	1.1
65.03914	5.0
67.05483	3.7
69.03410	11.7
69.07037	1.0
71.04966	1.0
73.02866	0.5
78.04694	0.5
79.05464	9.7
81.03396	4.9
81.07018	2.6
82.04168	1.9
83.08601	0.5
84.08095	0.4
85.02887	14.8
85.78736	0.4
87.04446	0.7
91.05459	5.7
92.08630	1.0
93.03353	0.6
93.07001	2.1
95.04951	4.8
95.08585	2.1
96.14635	0.5
97.02855	3.1
97.06504	2.6
99.04453	0.6
99.52972	0.5
103.05425	3.0
105.07005	3.8
107.04935	19.1
107.08562	2.0
108.02040	0.8
109.02846	0.8
109.06467	0.7
109.10134	1.0
110.03623	2.0
110.08932	0.6
110.48010	0.6
111.04404	1.1
115.05405	4.2
116.06153	1.0
117.06987	6.1
119.04903	0.7
119.08527	2.2
121.03046	0.5
121.06452	1.8
121.10124	1.0
123.04410	3.8
124.05211	3.7
125.05969	3.7
127.03905	5.1
128.06163	0.8
129.06987	3.6
131.04901	2.0
131.08560	3.7
132.05626	0.6
133.06453	3.4
133.10118	0.7
135.04341	0.7
137.05971	2.0
138.03156	0.7
141.06955	3.0
142.02567	1.0
143.04857	0.6
143.08511	0.7
144.05701	4.9
145.06464	9.5
145.10115	0.9
147.04408	1.1
147.08057	1.2
147.11700	0.8
149.05939	1.0
152.04657	3.2
153.05438	1.2
155.04851	0.7
155.05913	1.1
155.07027	1.2
156.05611	0.5
157.06447	3.7
157.10146	0.6
159.04343	1.2
159.07956	4.8
160.05196	0.6
161.05952	7.6
163.03934	0.6
163.11165	0.6
166.02582	1.9
167.06996	48.5
169.07635	0.7
171.06485	5.7
172.05153	17.4
173.05954	6.5
175.03851	0.6
175.07480	3.3
177.05428	2.9
179.07050	0.8
181.04915	62.7
183.06470	0.5
183.11751	0.5
185.05896	1.0
187.07480	5.9
189.05278	3.7
190.06175	2.1
191.07010	2.2
192.07747	0.8
193.04890	2.6
193.08539	0.7
195.06503	0.8
200.04640	11.1
201.05426	4.2
202.06148	1.2
203.06996	0.7
204.07977	0.6
205.04700	2.2
205.08528	4.0
206.05696	3.0
207.06398	0.6
209.08104	0.8
213.05540	0.7
217.08492	2.1
218.03723	0.9
218.05685	17.0
219.06401	0.8
219.10054	3.3
221.07948	3.9
233.08028	100.0
235.07419	1.0
235.09503	1.8
237.08623	0.5
245.08055	2.3
247.07458	0.7
251.09099	1.2
262.06244	0.6
263.07010	1.0
263.09094	22.2
264.07751	1.2
275.06873	0.7
279.10129	1.0
281.10342	0.9
293.07990	0.8
306.08936	0.6
307.09561	1.8
309.07394	0.8
323.09128	0.7
331.08075	0.9
331.68967	0.5
335.09018	1.0
339.08063	0.6
339.11984	0.9
355.11563	2.9
367.11633	3.3
372.11807	0.9
384.11655	0.7
387.14322	5.8
399.14160	5.3
405.15518	0.7
417.15323	37.6
435.16553	2.0
484.41504	0.6
570.48560	0.5
597.19373	0.6
597.35931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.42719	0.7
55.01867	1.8
55.05509	0.9
57.03429	1.5
57.96120	0.7
61.02916	1.7
61.52016	0.7
63.02374	0.8
64.21568	0.7
64.42010	0.6
65.03923	7.0
65.65914	0.6
67.05484	2.8
68.33629	0.6
69.03419	15.0
71.04970	0.8
79.05477	10.8
81.03407	8.6
81.07039	1.7
82.04192	1.3
84.82085	0.6
85.02899	18.4
86.09683	1.5
87.04459	0.9
91.05460	4.6
92.08892	2.5
93.03363	0.9
95.04958	6.4
96.05783	0.8
97.02871	5.9
97.06528	1.3
99.04456	0.8
101.10004	0.7
103.05444	0.9
105.07002	1.6
107.04945	29.1
109.02874	1.1
110.03620	2.9
111.04443	1.4
115.05434	6.2
116.06203	1.2
117.07013	6.6
119.04917	0.9
119.08561	1.0
121.06455	1.2
122.03631	1.4
123.04412	5.9
124.05171	8.0
125.05980	4.8
127.03919	8.8
128.06238	1.0
129.07004	3.6
131.04915	3.9
131.08583	5.6
133.06499	4.1
134.43318	0.9
137.05931	1.8
138.03059	1.4
141.06996	3.4
142.02628	1.5
143.04939	0.7
143.08536	1.0
144.05721	7.0
145.06473	17.4
147.04401	1.7
147.08032	1.7
149.05949	1.4
151.03877	0.9
152.04707	3.1
153.05475	3.7
155.04848	1.0
155.06021	1.7
156.05693	1.3
157.06445	5.8
159.04369	1.4
159.08038	8.2
161.05988	9.1
163.03897	3.0
166.02638	0.8
167.07011	75.6
168.07399	0.8
171.06520	9.5
172.05180	16.1
173.05975	12.2
173.68077	0.7
174.06831	0.8
175.07535	4.6
177.05478	1.5
177.09215	0.7
181.04933	100.0
182.05310	1.1
183.06543	1.1
185.05956	1.3
186.03069	1.0
187.07491	10.0
189.05423	3.8
190.06212	2.9
191.06947	1.5
191.10611	1.6
195.06535	3.0
200.04713	6.4
201.05420	9.4
203.06940	1.4
205.08511	5.9
206.05710	3.4
207.06465	1.5
207.10085	1.4
217.08591	4.4
218.05704	16.7
218.09169	0.9
219.06526	3.0
219.10112	3.3
221.08006	7.4
231.06375	1.1
233.08051	89.0
234.06709	1.1
235.07423	1.4
235.09538	2.5
245.08086	4.6
247.07545	3.1
251.09142	4.0
256.50092	0.7
260.08267	1.1
263.06784	1.8
263.09143	25.3
264.07727	1.6
265.08432	1.0
277.08481	1.4
278.09085	0.8
279.06546	1.0
279.10016	2.8
280.07388	0.9
281.10309	1.8
291.06561	1.8
295.09625	1.6
296.10156	1.0
307.09500	3.2
308.06888	0.9
309.07526	3.6
319.06155	0.8
323.08984	0.9
324.09717	1.4
327.12155	0.8
335.09204	1.1
337.10703	1.1
339.08755	0.8
339.12329	4.6
344.12561	1.1
353.10089	1.8
355.11667	3.7
367.11734	7.7
368.12411	0.9
371.14978	1.8
372.12210	1.5
373.12711	0.9
381.13235	3.0
384.11960	3.4
387.14310	10.4
399.14313	11.0
405.15143	1.2
417.15387	66.1
418.15677	1.1
435.16312	3.5
459.05939	0.7
546.89948	0.8
610.39233	1.0
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
53.03932	1.5
55.01867	3.0
55.05499	0.6
55.19311	0.4
57.03411	1.8
61.02901	2.2
65.03919	4.5
67.05483	3.4
69.03415	10.0
69.07045	0.9
69.61008	0.4
78.04694	0.5
79.05469	8.2
81.03394	4.7
81.07025	3.6
82.04171	1.8
83.55792	0.4
85.02414	0.7
85.02887	13.2
87.04422	0.8
91.05451	4.4
91.46996	0.4
93.03352	0.7
93.07021	2.9
95.04964	5.1
95.08573	2.2
97.02870	4.7
97.06487	1.7
102.09061	0.4
103.05450	1.8
105.04550	0.6
105.07011	4.9
106.07365	0.4
107.04197	0.6
107.04940	15.9
107.08576	1.0
108.02078	0.8
109.02866	1.7
109.06506	1.0
109.10125	1.0
110.03643	2.0
111.04420	2.0
111.55109	0.5
115.05412	3.6
116.06223	0.7
117.07003	5.8
119.04913	1.0
119.08533	2.7
121.06477	1.0
121.10099	0.9
123.04417	4.6
124.05191	3.3
125.05978	4.3
125.09586	0.5
127.03899	4.7
128.06218	1.0
129.06987	4.1
131.04884	2.3
131.08527	3.3
132.05714	0.6
133.06509	3.6
133.10081	0.9
137.05960	0.8
137.09673	0.5
138.03041	0.6
139.03839	0.4
140.04634	0.7
141.06947	1.7
142.02571	0.9
144.05672	3.7
145.06464	11.0
145.10124	0.6
147.04335	1.8
147.08028	1.9
147.11655	0.7
149.05904	1.9
149.13290	0.5
151.03862	1.0
152.04611	2.1
153.05438	1.8
155.04950	1.2
155.05960	1.3
156.05649	0.9
157.06419	3.0
159.04282	0.6
159.07996	5.6
159.11600	0.5
160.05144	1.6
161.05942	7.7
161.09830	0.5
163.03935	1.8
167.06999	46.0
170.37505	0.5
171.04340	0.5
171.06488	6.4
172.05173	16.8
173.05937	6.6
174.06685	0.6
175.07475	3.6
175.14810	0.7
176.04549	0.5
177.05453	2.3
179.07022	0.7
181.04918	64.5
185.05942	0.6
187.07494	6.6
189.05437	3.0
190.06216	2.8
191.06956	2.1
191.10611	1.6
193.04944	2.9
195.06433	0.7
200.04662	10.7
201.05400	4.7
203.03372	0.7
203.06946	0.9
205.04721	1.8
205.08589	4.9
206.05690	2.3
207.06393	0.9
207.08107	0.6
209.08047	0.6
217.08508	3.0
218.05670	13.9
219.06445	1.0
219.10143	2.2
220.07417	0.5
221.08017	4.2
233.08038	100.0
235.09576	1.9
245.08044	2.7
247.07353	1.8
251.06776	0.5
251.09103	2.1
254.09189	0.5
263.09109	23.2
264.07742	0.9
277.08713	0.5
279.10107	1.7
280.07330	0.6
281.10214	0.7
291.06354	0.7
301.72742	0.4
306.08838	0.6
307.09531	1.6
311.12573	0.6
323.09222	0.6
324.09830	0.5
327.12469	0.6
329.09958	1.0
331.08139	0.7
335.09030	0.5
339.12247	0.8
346.10156	0.6
355.11816	1.8
367.11700	3.1
371.14902	0.7
384.11929	0.7
387.14362	4.5
399.14246	5.3
405.15381	0.6
417.15384	37.4
419.16785	0.7
435.16098	1.9
454.10104	0.4
475.98596	0.5
511.98322	0.5
597.35699	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	597.2183
Annotation	Staunoside C
Peak:m/z	Relative Intensity
53.03923	1.3
55.01855	0.9
55.05499	1.2
57.03419	3.9
57.68922	0.5
61.02908	3.4
65.03928	5.6
67.05482	2.8
68.71937	0.5
69.03413	9.0
69.07052	0.9
71.04972	13.6
72.05299	1.2
72.83928	0.6
73.02877	1.2
77.68098	0.6
78.04695	0.6
79.05474	9.3
81.03400	5.8
81.07038	3.3
82.04181	0.8
83.04964	0.9
85.02884	23.9
85.06520	0.7
85.07849	0.6
86.03206	2.5
87.03292	0.6
87.04436	1.5
87.44030	0.6
87.59550	0.6
91.05463	6.6
92.08678	0.6
92.09185	1.4
93.03402	0.7
93.07033	2.7
95.04932	5.5
95.08580	6.1
96.08912	0.7
97.02840	4.5
97.06526	2.6
98.97563	0.6
103.05457	1.3
105.04462	0.8
105.07024	4.5
107.04933	20.3
107.08561	2.5
109.02846	2.3
109.06486	1.1
109.10157	0.8
110.03645	2.9
111.04394	2.5
111.95966	0.6
114.99051	0.6
115.05426	4.2
115.06145	0.7
116.06196	0.7
117.06985	6.1
119.04938	0.9
119.08515	2.5
120.08877	0.7
121.02841	2.6
121.06464	0.9
121.10144	0.9
122.03191	0.9
123.04411	4.1
123.07998	0.8
123.11684	0.7
124.05177	5.2
125.05951	4.8
127.03895	5.4
129.05455	4.0
129.06969	3.4
131.04927	2.5
131.08507	4.7
133.02795	1.0
133.06473	3.4
133.10123	1.5
135.04405	0.7
137.02307	0.8
137.05977	2.9
137.09383	0.6
138.03125	2.7
141.06932	2.7
142.02609	2.8
143.04866	0.7
144.05676	4.1
145.06459	13.5
145.10059	1.5
147.04387	1.3
147.06442	0.7
147.07986	1.0
147.11665	1.4
149.05939	0.7
151.07549	0.7
152.04683	1.0
152.97276	0.6
153.01765	3.1
153.05435	2.6
154.02138	0.7
155.04909	0.9
157.06502	2.9
159.08031	5.1
159.11676	2.4
161.05943	6.0
163.11122	11.6
164.11476	2.6
165.01807	1.0
166.02475	0.8
167.06995	50.5
171.06494	7.8
172.05159	7.6
173.05981	6.7
174.06607	0.9
175.07521	3.0
176.08286	1.2
177.05519	1.0
177.09044	1.1
181.04916	100.0
183.06480	0.8
184.03578	0.7
185.05969	3.1
187.07474	7.3
189.05437	2.4
190.06198	3.7
191.06953	2.5
191.10643	3.6
193.04938	1.0
193.08554	1.2
195.06551	2.1
200.04688	3.6
201.05426	8.7
202.06224	0.8
203.07063	1.1
205.08522	4.5
206.05684	2.7
207.06430	0.9
207.10092	1.0
209.07971	0.8
213.05498	1.5
214.05948	0.8
217.08571	4.3
218.05653	7.1
219.08182	0.8
219.10127	3.4
221.07999	7.5
222.08452	1.4
231.06380	0.9
233.08022	52.3
235.07518	1.1
235.09695	2.5
245.08046	3.3
247.07375	0.9
251.09148	3.4
263.06674	1.1
263.09131	13.9
264.07669	2.4
267.15952	1.3
279.06378	0.7
279.10172	0.9
280.07056	0.9
281.10217	1.3
287.05426	55.3
288.05759	55.1
289.05969	41.5
291.06433	0.8
293.08002	0.7
295.09625	0.8
306.08969	0.8
307.09576	1.5
309.07419	1.0
323.09015	0.8
325.10446	0.9
333.07275	0.7
335.09158	0.8
337.10690	0.8
355.11710	3.1
367.11743	2.9
369.09201	0.9
371.14871	1.1
381.13202	1.5
387.14313	7.3
399.14267	8.0
405.15463	0.7
417.15347	39.1
435.16425	3.3
579.20099	1.3
597.35724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.05497	19.4
57.03416	6.6
57.07062	2.7
59.73183	1.8
62.84319	1.4
65.08410	1.6
67.05138	3.5
67.05487	92.1
69.03410	3.5
69.07038	18.6
73.02894	1.9
77.64883	2.0
79.05470	57.2
81.03393	2.8
81.07034	100.0
83.08597	9.1
85.02916	2.2
87.39900	1.8
90.94432	1.8
91.05447	29.8
93.07014	80.2
95.04943	3.9
95.08006	3.5
95.08582	73.4
97.06478	2.7
97.10114	1.8
99.04430	3.4
105.04469	2.0
105.06993	27.1
107.08566	44.9
109.02845	7.3
109.10124	34.2
111.04369	1.8
111.08037	2.1
111.77760	2.2
117.06996	16.3
119.04013	1.8
119.08559	22.8
121.10102	39.5
123.11680	18.4
125.95274	2.1
127.03914	3.2
131.08519	26.7
133.10117	20.9
135.11671	31.3
137.13174	2.1
145.10117	17.1
146.89417	1.8
147.11630	13.3
149.13240	17.6
159.11627	15.5
161.13222	8.6
162.02568	2.0
163.14772	13.4
173.13203	15.3
175.14709	4.3
177.16362	3.3
179.14159	2.2
180.66843	1.9
187.14764	12.3
201.16441	2.0
204.98386	1.6
243.21019	30.4
261.22079	74.7
267.86288	1.8
287.24017	1.8
335.25696	18.0
353.26819	42.1
561.27155	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	596.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
54.81282	0.8
55.01864	3.4
55.05508	17.9
57.03426	7.8
57.07070	6.4
57.11675	0.7
57.82035	0.7
62.96959	0.7
63.80860	0.7
65.03916	2.1
67.05494	93.0
69.03407	4.4
69.07053	15.6
71.04965	3.7
73.02887	1.7
75.03719	0.8
75.04445	1.3
75.58259	0.7
79.05474	53.7
81.03391	3.4
81.07040	100.0
83.04961	1.5
83.08605	9.9
85.02885	3.4
85.06516	2.1
91.05457	26.8
91.06001	1.4
93.07024	72.3
95.04945	5.0
95.08587	78.2
97.02836	1.1
97.06517	3.7
97.10151	1.6
99.04435	4.1
99.08070	2.0
105.06342	1.7
105.07019	24.1
107.08578	48.6
109.02840	7.6
109.06493	1.9
109.10142	42.1
109.13120	0.8
110.03645	1.4
111.04439	1.7
111.08067	3.6
113.09618	1.0
117.06997	12.2
119.08569	22.4
121.10120	39.2
123.11685	13.6
125.09660	1.6
127.03893	3.5
129.07030	1.0
131.08542	27.4
133.10100	15.7
135.11668	32.1
137.09586	1.1
137.13239	5.3
139.11157	1.0
145.10107	20.5
147.11670	11.4
149.13239	22.2
151.11215	1.6
151.14775	0.9
159.11662	16.8
161.13206	10.5
163.14783	14.1
165.12733	3.0
173.13234	14.2
175.14812	3.9
177.16321	6.2
179.14232	0.9
187.14848	7.5
191.00105	1.5
201.16393	1.2
205.15871	1.3
233.22536	1.6
243.21048	27.5
260.02054	0.9
261.22079	73.2
266.17520	0.8
279.23135	3.9
335.25790	24.2
353.26810	35.9
451.21463	1.0
508.43314	0.9
561.27228	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	596.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.2
53.03941	1.1
55.01866	1.9
55.05502	1.0
57.03174	1.5
57.03431	30.6
58.53409	0.7
59.04987	6.0
60.04521	1.1
61.02911	5.7
67.05501	0.9
69.03419	100.0
70.06551	0.9
71.04973	2.1
71.37081	0.9
71.38530	0.7
73.02896	4.5
73.79778	0.7
75.04476	2.1
79.05479	1.0
81.03419	6.9
83.04961	1.3
85.02892	86.4
87.04453	60.0
91.03912	1.7
91.05482	1.3
93.07027	2.2
95.04984	1.0
97.02872	86.9
99.04461	4.0
103.03916	1.2
105.07010	5.9
109.02863	4.7
111.04427	2.0
115.03913	81.1
119.08558	3.6
121.10130	3.9
123.04401	0.9
127.03896	14.2
129.05466	1.4
131.08444	1.0
131.68558	1.1
133.04948	61.8
139.03937	1.0
145.04936	15.9
145.10138	1.1
147.08099	1.1
147.11580	0.9
151.03928	1.0
159.11661	5.9
163.05980	6.4
163.11200	1.7
169.04877	1.2
170.73587	0.9
175.02502	1.0
177.05435	1.2
195.06598	1.2
205.12169	1.3
208.04688	1.0
219.13802	1.4
229.07240	1.5
241.07097	1.7
249.14711	1.0
259.08069	11.1
267.15933	1.3
277.09064	3.7
285.13388	3.8
285.16772	1.7
295.10199	15.2
312.06934	1.1
325.11154	2.0
332.90826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90468	0.3
53.00309	1.3
53.03945	0.8
55.01871	1.7
57.03431	21.0
58.77332	0.3
59.04994	3.8
60.04523	0.6
61.02915	7.0
65.88257	0.3
69.03418	74.0
71.01354	0.7
71.04982	2.1
73.02913	3.6
75.04459	2.3
79.05447	0.3
81.03401	5.9
82.80014	0.3
83.01318	0.5
85.02892	100.0
87.04452	44.6
91.03930	3.4
91.05448	0.4
95.04947	0.5
97.02872	64.2
99.04442	4.3
101.02367	0.7
103.03927	0.8
105.07015	2.4
109.02870	7.4
111.04448	0.6
115.03912	57.6
117.05446	0.4
123.04456	0.6
125.43261	0.3
127.03899	18.0
133.04947	48.9
139.03824	0.5
145.04942	26.3
147.08022	0.5
150.07628	2.5
153.68501	0.4
163.06001	10.5
163.94077	0.4
167.07034	0.4
169.04947	0.6
177.05411	0.4
180.08595	0.4
189.09045	0.5
201.09026	0.4
205.06972	0.5
219.10037	0.4
223.05940	1.7
241.07053	2.4
255.12170	0.7
259.08081	7.9
277.09177	2.3
285.13260	4.6
289.09061	1.2
295.10181	8.1
325.11237	7.9
598.21863	0.4
599.46875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50336	0.2
53.00296	0.4
53.03930	0.9
53.26673	0.2
55.01866	2.0
55.05491	0.3
57.03425	21.0
57.34164	0.2
59.04983	4.5
60.04510	0.8
61.02909	6.6
61.03214	0.4
61.22710	0.2
64.83453	0.2
67.05502	0.3
69.03412	68.9
71.01334	0.4
71.04962	1.6
73.02893	3.9
75.04453	3.0
77.81774	0.2
78.80936	0.2
79.05447	0.4
79.85793	0.2
81.03395	5.6
83.01307	0.4
85.02885	100.0
86.34097	0.2
87.04446	44.4
91.03925	3.4
91.05462	0.2
92.09081	0.4
95.04965	1.0
97.02866	64.6
99.04423	4.9
101.02329	1.0
103.03934	1.7
105.06993	2.5
107.04919	1.2
109.02855	6.7
111.04412	0.8
113.02326	0.2
115.03902	56.9
115.68767	0.2
117.05465	0.4
119.04924	0.3
119.08572	0.3
122.05875	0.2
123.04395	1.2
127.03884	18.4
129.05460	0.3
129.06937	0.2
131.08636	0.2
133.04935	47.1
135.04419	0.3
135.07878	0.2
137.19557	0.2
139.03874	0.5
143.08640	0.2
145.04927	25.4
147.08020	0.8
150.07587	1.5
151.03856	0.5
151.06058	0.2
156.86462	0.2
161.04480	0.4
163.05980	10.6
167.06981	1.9
168.07381	0.3
169.04900	1.2
171.07938	0.3
177.05415	0.5
181.04887	1.3
182.05234	0.3
187.05963	0.9
189.09032	0.4
193.04857	0.4
201.09021	0.8
205.04924	0.2
205.06960	0.4
211.05956	0.3
219.10052	0.3
222.11705	0.2
223.05931	0.8
224.08641	0.2
229.06854	0.3
233.67935	0.2
241.07059	2.3
246.00006	0.2
249.11101	0.2
255.12236	1.4
259.08078	7.6
273.36118	0.3
277.09003	2.2
285.13245	3.9
289.09021	0.9
295.10141	8.0
298.87561	0.2
325.11212	7.7
341.12695	0.2
376.52002	0.2
388.14340	0.8
418.15430	0.2
480.81967	0.2
500.25400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01857	2.7
55.05495	6.5
57.03413	6.1
59.04979	1.4
61.02899	7.1
63.56905	1.1
67.05487	16.7
69.03415	20.2
69.07033	6.4
71.04970	9.1
73.02888	2.3
79.05466	15.5
81.03386	10.8
81.07032	23.4
83.04942	1.8
83.08584	6.7
85.02885	66.9
85.06520	1.8
87.04425	2.5
91.03916	1.8
91.05460	23.0
93.07015	24.5
95.04935	6.3
95.08588	19.6
97.02863	21.8
97.06461	2.0
99.04424	5.2
105.03357	5.8
105.07002	37.3
106.95963	1.0
107.04916	1.3
107.08570	24.7
109.02863	8.3
109.06477	1.6
109.10136	18.3
111.08047	2.4
115.03898	1.7
115.05465	1.4
117.06964	11.3
119.04875	1.0
119.08544	26.1
121.06466	1.8
121.10102	13.9
123.04375	1.6
123.07950	1.6
123.11654	1.9
124.19762	1.2
125.05959	10.4
125.09560	2.2
127.03886	12.7
128.06215	2.2
129.06946	12.3
131.08539	25.6
133.06438	1.5
133.10109	21.5
135.07994	2.3
135.11630	13.0
137.05975	2.7
139.03905	1.5
141.06973	2.6
142.07761	2.1
143.08530	14.7
144.09277	1.3
145.04939	7.8
145.06412	1.9
145.10115	20.7
147.07980	5.0
147.11649	20.8
149.05954	1.4
149.13220	6.9
153.05457	5.8
155.08531	10.1
157.10088	16.4
159.07968	1.7
159.11655	21.5
161.09561	1.3
161.13242	18.5
163.06065	1.8
163.07550	3.8
165.05455	11.2
165.09093	1.2
167.08575	2.7
168.09349	1.6
169.10109	9.6
171.07915	1.2
171.11659	7.5
173.13205	6.6
175.07510	11.4
175.14787	4.3
177.08997	1.5
179.08508	1.6
180.28935	1.3
181.10051	9.8
183.11653	15.5
185.09602	2.2
185.13216	7.6
187.07527	2.2
187.14767	5.3
189.08972	2.6
189.16298	2.6
193.08516	1.7
193.10138	1.9
195.11696	6.1
197.09506	2.5
197.13194	6.9
199.11224	1.6
199.14793	6.1
201.09058	2.6
201.12727	2.4
201.16275	2.0
203.10674	2.6
207.11694	2.6
209.09576	5.0
209.13182	6.1
211.11130	5.4
211.14777	4.3
213.16388	2.3
215.10681	1.7
215.17911	8.5
217.12160	1.4
217.15807	1.4
221.13219	2.4
223.11162	1.5
223.14832	4.2
225.12679	1.2
227.10599	12.1
227.17842	1.4
229.12152	14.3
229.19348	1.8
233.13217	1.3
235.14732	4.1
235.16830	1.5
237.12454	1.9
241.12132	2.3
243.13776	1.4
247.13013	1.3
249.16377	2.1
251.17746	1.4
255.13654	7.4
265.21671	1.4
277.19458	4.7
281.15497	1.8
287.05444	7.4
291.20932	9.1
293.22690	1.7
295.16867	1.5
309.22049	6.5
319.20355	10.6
337.21552	88.6
355.22571	100.0
373.23605	59.4
373.28329	1.4
595.23297	2.1
595.34155	2.3
620.28070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.00266	0.6
53.03934	3.0
53.63474	0.6
55.01858	3.5
55.05504	6.3
57.03425	6.3
61.02907	8.9
67.05486	16.0
69.03413	23.6
69.07045	5.0
71.04973	3.1
73.02883	3.8
79.05466	16.5
79.93819	0.7
81.03402	9.3
81.07035	25.7
83.01299	1.2
83.08601	7.9
85.02885	74.3
87.04453	4.1
91.03945	2.8
91.04887	1.1
91.05452	22.9
92.08772	1.3
93.07015	26.2
95.04942	4.2
95.08580	19.1
95.09184	0.9
97.02863	21.6
97.06522	1.2
97.10134	1.2
99.04420	3.6
99.36510	0.7
101.02354	0.9
105.03374	5.0
105.06273	1.5
105.07001	39.0
107.08578	22.7
109.02848	9.8
109.06499	2.8
109.10126	12.6
111.08072	1.4
115.03910	1.2
115.05432	1.5
116.06221	1.2
117.06992	14.2
119.04891	0.9
119.08562	24.0
120.46370	0.8
121.06499	4.1
121.10108	12.1
123.04413	0.8
123.07973	1.2
123.11654	0.8
125.02361	1.0
125.05956	9.1
125.09631	0.7
127.03884	12.0
128.06197	5.4
129.06975	12.7
130.07814	1.2
131.08531	24.6
133.06461	1.7
133.10101	17.1
135.08078	0.9
135.11678	10.3
137.05988	0.9
139.07491	1.0
141.05338	0.8
141.06973	6.0
142.07765	4.7
143.08527	20.2
143.09587	1.1
144.09288	1.0
145.04938	8.6
145.06483	0.9
145.10088	22.8
147.08035	6.5
147.11647	18.7
149.13182	6.2
153.05428	3.5
153.06935	1.4
155.08528	11.3
156.09302	1.4
157.06448	1.1
157.10104	17.1
159.08044	3.8
159.11664	20.1
161.05971	0.9
161.09602	3.0
161.13225	14.7
163.06058	2.8
163.07460	1.6
163.11188	1.2
165.05453	8.1
165.06964	2.8
165.09122	0.8
166.07759	1.5
167.07095	1.1
167.08528	2.8
168.09322	4.9
169.10091	9.6
171.08008	1.7
171.11646	9.0
173.09570	3.1
173.13254	7.2
175.07474	14.5
175.14772	3.3
177.09064	3.4
179.08553	1.6
180.09329	1.6
181.10083	11.6
182.10893	1.0
183.08035	2.7
183.11661	14.0
185.09595	4.6
185.13199	7.6
187.07541	3.3
187.11212	1.2
187.14833	5.7
189.09093	7.1
189.16324	4.0
191.10716	1.2
193.08495	1.1
193.10071	2.8
195.11671	8.8
197.09612	3.0
197.13191	6.7
199.11113	3.3
199.14842	6.9
201.09045	3.3
201.12798	2.8
201.16335	3.4
203.10652	3.0
207.11693	1.4
209.09572	4.5
209.13176	9.4
211.11153	5.6
211.14830	4.9
213.09102	1.0
213.12805	1.0
213.16353	3.5
215.10660	1.7
215.17850	9.4
217.12283	3.5
217.15855	1.0
219.11757	0.9
219.13617	0.9
221.13222	4.1
223.11171	1.2
223.14769	3.3
225.12743	1.7
225.16277	1.5
227.10634	14.6
227.14188	1.2
229.12173	11.7
231.17322	1.1
235.14862	5.3
237.12584	1.6
237.16415	1.1
241.12138	5.0
243.13757	4.2
247.13083	1.3
249.16252	2.7
251.17917	1.1
253.19408	5.1
255.13678	6.0
263.17792	0.8
267.13382	0.9
269.15359	1.8
273.14664	1.2
277.19489	6.3
281.15341	3.3
281.22787	1.1
283.22711	1.5
291.20972	9.5
293.22577	0.9
295.16928	1.4
295.20502	0.8
309.18808	1.2
309.21863	7.1
319.20486	9.2
327.22971	1.0
337.21530	95.9
355.22577	100.0
373.23627	55.5
415.24152	1.4
517.27832	1.0
573.06793	0.9
595.23169	1.0
595.34381	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	595.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16513	2.1
53.03932	3.2
55.01864	2.0
55.05490	2.6
57.03421	4.8
61.02893	12.0
67.05481	14.7
69.03416	27.3
69.07050	3.0
73.02863	2.8
73.92546	1.9
79.03320	2.1
79.05473	19.8
81.03386	11.4
81.07049	26.6
83.08597	4.5
85.02885	84.6
91.05473	28.7
93.07035	30.3
95.04935	2.8
95.08588	22.7
97.02867	24.5
105.03362	2.8
105.07019	43.1
107.08556	22.7
109.02843	10.6
109.10140	13.8
115.05434	2.8
117.07007	11.5
119.08566	30.2
121.06469	3.5
121.10104	14.9
125.05957	9.4
127.03874	11.7
128.06223	4.3
129.06990	13.1
131.08542	22.3
133.10066	19.7
135.11661	11.7
141.05418	2.8
141.06964	4.3
142.07709	4.1
143.08553	22.8
145.04961	7.9
145.10088	24.0
147.07994	5.0
147.11685	20.1
149.13251	4.2
153.05399	4.1
155.08557	15.1
157.10083	15.2
159.07936	2.7
159.11662	25.1
161.09610	2.4
161.12067	2.1
161.13203	21.3
163.07521	4.3
165.05417	10.8
167.08437	2.4
168.09354	2.8
169.10074	12.0
171.11687	10.5
173.13206	5.1
175.07500	13.1
175.14702	2.3
177.09117	2.4
180.57088	2.3
181.10080	12.9
183.11664	14.6
185.13176	9.0
187.14764	2.5
189.09013	4.7
189.16435	2.4
195.11636	9.2
197.09644	2.3
197.13239	9.5
199.11154	3.3
199.14778	4.4
201.09196	2.9
201.16315	3.3
209.09621	4.4
209.13235	5.5
211.11150	8.2
213.16391	2.4
215.14175	2.5
215.17908	3.1
221.13129	3.3
227.10614	14.0
229.12248	14.0
235.14787	4.3
237.16354	2.7
241.12047	4.9
243.13750	3.8
251.18047	2.4
253.19318	5.5
255.13773	10.7
291.20685	6.9
293.22498	2.9
305.57147	2.5
309.22095	9.2
319.20468	10.4
337.21555	91.3
355.22607	100.0
373.19186	2.7
373.23706	62.7
498.14194	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01842	0.1
55.05500	0.1
57.03420	2.5
59.04975	0.1
61.02629	0.1
61.02908	2.4
63.76404	0.1
64.33253	0.1
65.37194	0.1
68.99768	0.5
69.03419	0.7
71.01333	0.2
71.04969	10.8
73.02884	0.9
75.04434	0.5
79.05462	0.1
81.03371	0.2
82.90240	0.1
83.04938	0.2
85.02882	12.4
86.27921	0.1
87.04442	0.2
91.03928	1.0
91.05434	0.2
91.73533	0.1
92.08658	0.1
95.04942	0.1
97.02862	1.3
98.97581	0.2
99.04449	0.1
105.03355	0.2
105.07005	0.5
107.04905	0.2
107.08562	0.1
109.02859	0.2
111.00766	1.1
111.04424	0.2
119.08536	0.2
121.02828	2.8
127.03906	0.2
129.05444	1.8
133.02821	0.5
133.10091	0.2
135.04471	0.1
135.11681	0.1
137.02309	0.7
145.04941	0.1
145.06410	0.2
147.04373	0.4
147.06461	0.2
153.00568	0.1
153.01793	3.7
157.06400	0.2
165.01790	1.8
171.04366	0.2
175.14738	0.1
179.10619	0.2
183.02843	0.9
185.05925	0.5
203.07085	0.1
213.05432	1.5
231.06517	0.9
241.04842	0.7
258.05167	1.2
259.05960	0.4
287.05417	100.0
288.05780	0.9
288.08694	0.1
449.10510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.5
53.03938	0.8
55.05262	1.2
55.05507	16.1
56.20584	0.7
57.03203	1.0
57.03432	14.6
57.07048	0.9
58.17645	0.8
60.09403	0.9
62.54650	1.0
62.89749	0.9
65.03923	1.6
67.05489	51.7
69.03413	1.2
69.07055	11.4
70.19341	0.9
70.76292	0.8
77.12444	0.9
79.05046	1.8
79.05472	27.7
81.03414	2.0
81.07040	40.6
83.05015	1.3
83.08598	5.1
85.06517	1.1
86.86018	0.8
91.05457	13.9
93.07023	28.5
95.04945	6.0
95.08585	32.6
97.10123	1.2
98.98433	11.1
103.27773	0.9
105.07020	9.4
107.08587	13.9
109.10132	12.7
113.06039	1.1
117.05090	0.9
117.07039	1.5
119.08543	5.4
121.10106	8.8
123.11670	2.1
131.08549	4.1
133.10098	5.7
135.11679	5.7
147.11745	1.0
149.13200	1.3
160.87398	1.0
173.13342	1.1
226.17082	1.2
261.22015	1.1
299.16672	1.1
335.25732	100.0
465.97519	1.1
548.34296	1.0
595.32190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03933	0.2
53.85004	0.1
55.01864	0.2
55.05481	0.1
57.03431	2.2
59.82644	0.1
61.02922	0.7
68.99768	0.2
69.03416	1.4
70.66955	0.1
71.04978	9.9
73.02879	0.4
75.04449	0.4
76.56493	0.1
81.03418	0.7
83.04956	0.2
83.26289	0.1
85.02893	13.7
86.20338	0.1
87.04436	0.2
92.08841	0.1
97.02880	1.5
99.04382	0.1
103.03916	0.1
105.69218	0.1
107.04987	0.1
109.02855	0.6
111.00779	0.7
111.04433	0.4
121.02846	2.2
127.03878	0.7
129.05482	1.6
130.20462	0.1
133.02800	0.5
135.04337	0.1
137.02319	0.6
137.05946	0.1
145.04929	0.2
145.06558	0.1
147.04424	0.5
147.06487	0.5
153.01813	3.4
157.06491	0.2
165.01797	1.9
171.04401	0.2
183.02878	0.9
185.06067	0.2
189.05426	0.2
203.06975	0.2
213.05467	1.1
231.06480	0.6
233.66206	0.1
241.04990	0.7
258.05264	1.3
259.05920	0.6
269.04120	0.1
287.05453	100.0
288.05850	0.7
449.10724	0.6
498.32690	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	594.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
57.03418	2.0
57.07059	6.4
58.06576	1.1
59.04995	18.0
65.03934	1.4
67.05154	1.1
67.05495	30.7
69.03074	1.3
69.03416	30.9
69.07058	1.4
71.04978	19.4
71.16773	0.8
71.94915	0.9
74.09689	4.6
74.60405	0.8
75.10040	0.9
76.07607	2.0
76.56165	1.0
79.05483	2.0
81.07018	4.3
83.04978	1.1
84.64112	1.0
85.06529	25.0
87.04455	6.2
91.05461	1.8
93.07018	4.5
95.04947	36.8
95.08575	3.7
95.09141	0.9
101.05997	1.4
105.07011	7.6
106.13380	0.9
107.08588	6.4
109.06464	1.2
109.10157	1.2
113.05988	100.0
119.08541	7.4
121.10135	4.0
127.07478	1.2
129.06987	1.0
131.08537	4.1
133.10097	4.2
135.11623	1.5
143.08551	5.2
145.08586	24.5
145.10106	5.3
147.07985	1.5
147.11703	7.5
149.02315	5.2
157.10086	4.9
159.11699	6.9
161.09590	1.9
161.13277	8.3
169.10027	1.5
171.11652	2.0
173.13240	4.2
175.14740	1.9
181.10031	1.1
183.11705	1.7
185.13258	1.2
193.04875	2.5
193.52176	1.0
197.13211	1.5
213.16330	1.2
227.10497	1.7
235.14609	1.4
237.16382	1.1
253.19395	9.6
255.21114	1.3
271.20532	2.0
277.19626	1.7
291.21024	4.7
295.20578	1.2
309.22049	9.0
327.23083	7.0
337.21552	16.7
355.22620	31.3
373.19113	1.9
373.23672	43.5
433.25845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
57.03425	3.8
57.07084	2.8
59.04987	19.0
67.05491	28.3
69.03414	100.0
71.04971	7.4
73.06535	1.0
73.43897	0.9
79.05460	3.6
81.07047	3.9
83.04946	4.3
85.06538	7.9
87.04449	4.7
91.05476	3.4
92.08962	3.4
93.07022	4.6
95.04942	46.5
95.08582	3.2
97.70854	0.8
101.06030	0.9
105.06990	6.8
107.08585	3.6
109.10129	1.5
113.05985	75.8
117.07008	3.8
119.08561	3.9
121.10140	3.1
127.07532	7.8
129.07007	1.2
131.08527	5.5
133.10052	2.7
135.11696	1.5
142.07800	1.2
143.08540	4.1
145.08575	30.3
145.09964	2.5
145.50835	0.7
147.11656	5.6
149.35786	0.9
153.26357	0.9
155.08499	1.7
157.10072	1.3
159.11681	5.1
161.13226	3.3
169.10071	1.2
175.07434	1.3
181.10132	3.3
185.13281	1.4
197.13211	1.0
199.14812	1.4
209.09789	1.0
209.13260	1.4
215.17790	1.0
227.10643	4.4
229.12219	3.6
253.19440	1.4
270.70853	0.8
277.19366	1.0
291.21170	0.9
309.22122	1.0
319.20767	1.4
324.32980	1.0
337.21545	22.3
355.22565	21.8
373.23663	45.5
387.31479	0.9
433.25690	8.2
517.31616	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	594.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05493	1.1
55.13396	0.7
57.03428	6.3
57.07065	5.0
59.04986	7.6
59.06109	19.2
60.04514	12.5
60.05635	11.5
60.08158	2.1
65.03922	2.1
67.05491	31.2
69.03416	23.2
69.07056	1.1
69.50908	0.9
71.04978	14.4
71.79706	1.0
75.82073	0.9
79.05476	21.0
81.07040	10.4
83.04985	4.3
83.08620	1.4
85.06523	14.6
87.04451	6.1
91.05450	13.0
92.08688	2.6
93.07020	16.4
95.04952	45.5
95.08576	10.6
97.06525	4.1
97.20930	0.9
105.07012	30.4
105.07654	1.7
107.04945	3.9
107.08578	99.0
109.06505	1.3
109.10149	1.9
113.05988	75.5
114.06351	1.4
117.07001	9.5
119.08569	15.9
121.06478	1.5
121.10107	10.0
128.06192	0.9
129.06993	5.4
131.08546	43.7
133.10097	13.9
135.07999	1.5
135.11682	6.4
137.09625	1.4
141.06891	2.0
142.07765	1.3
143.08562	14.9
145.06480	1.6
145.08661	6.0
145.10104	69.3
147.08049	1.5
147.11653	23.0
149.05887	2.0
149.09566	10.2
149.13234	1.8
153.68065	0.9
155.08534	2.4
157.10115	11.8
159.07980	2.4
159.11661	23.2
161.09587	9.6
161.13245	1.4
163.11188	5.7
165.12682	4.3
169.10129	6.9
171.11652	9.5
173.09586	41.8
173.13245	6.8
175.11130	14.2
177.08951	1.2
177.12697	6.9
181.10094	1.3
183.11639	3.9
185.13168	2.3
187.09724	0.9
187.11084	8.1
187.14819	1.3
189.09088	4.1
189.12807	1.9
191.10655	22.2
191.14330	4.2
195.11662	2.3
197.13235	1.7
199.14835	2.3
201.12692	1.6
203.10674	2.0
205.12318	1.2
209.13213	1.5
209.15175	1.2
211.11317	1.1
215.10658	2.1
235.14757	1.4
243.13832	1.6
253.19472	26.0
271.20569	18.0
277.19461	1.9
289.21542	5.6
290.71109	1.1
291.21152	2.2
301.19354	1.6
304.81992	1.1
309.22202	4.7
319.20502	9.6
327.23044	1.8
337.21539	40.9
354.21518	1.8
355.22598	50.8
365.83563	1.1
371.22321	1.2
373.23651	100.0
391.24713	87.6
409.25775	15.7
493.70853	1.2
591.27496	1.1
596.06873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.2
53.03922	2.4
55.01863	2.2
55.05499	18.4
57.03428	22.8
57.07058	2.6
59.04994	8.5
60.04489	1.9
67.05492	28.0
69.03413	73.7
69.07053	38.2
71.04986	8.9
75.04462	3.1
77.08731	1.8
79.05454	17.7
81.03409	3.0
81.07040	35.6
83.04977	17.8
83.08600	4.6
84.39068	2.0
85.02887	47.2
85.06513	14.0
87.04443	37.0
91.05440	13.5
93.07034	27.7
95.04945	25.7
95.08581	27.4
97.02871	43.3
97.06522	13.7
100.11152	2.5
101.05978	3.5
105.07008	17.0
107.04912	2.2
107.08575	24.4
109.02879	2.6
109.06488	16.3
109.10143	100.0
111.08073	3.3
111.11699	34.1
113.05988	3.6
115.03899	26.9
117.06998	2.4
119.08562	19.0
121.06488	8.4
121.10101	15.1
123.08026	4.0
123.11691	30.7
125.05989	4.4
125.09566	3.9
127.11176	11.5
131.08527	12.9
133.04936	20.6
133.10097	13.6
135.08038	4.0
135.11716	2.5
137.09589	3.6
143.08549	3.3
145.10159	13.6
147.08067	3.9
147.11703	11.2
149.09683	2.6
150.07635	2.7
151.07597	1.9
151.11163	8.8
153.12744	4.0
155.10573	2.3
156.09245	2.3
157.10075	1.9
159.07976	2.9
159.11682	9.3
161.13219	4.4
163.14799	2.4
171.11633	10.4
173.09532	4.2
173.13217	3.6
177.05519	3.3
179.10597	2.6
185.13234	2.3
187.14854	7.3
189.12712	9.2
229.15836	7.7
247.16869	37.2
256.11566	2.7
265.17917	8.9
315.13330	10.0
316.13690	22.6
317.13947	15.1
318.14389	3.1
487.35629	3.0
594.31879	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	594.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.6
53.03944	1.3
55.01859	5.0
55.05506	16.5
55.31457	0.9
56.34072	1.1
57.03428	22.1
57.07071	1.5
57.14913	1.0
59.04988	9.1
60.04512	2.4
61.02910	1.2
61.15131	1.0
61.76631	1.0
62.79605	1.0
67.05490	26.9
69.03413	73.5
69.07053	47.8
71.04974	6.8
73.02876	1.2
75.04456	4.9
76.73620	1.0
79.05466	18.9
80.59210	1.2
81.03405	5.3
81.07037	37.4
83.04966	17.8
83.08604	1.9
83.44037	1.1
85.02887	56.6
85.06527	13.6
87.04449	43.3
87.04980	1.9
91.05466	16.3
93.07018	29.2
95.04947	30.1
95.08579	27.0
97.02869	47.2
97.06517	14.9
99.04443	2.0
99.08047	1.2
101.05992	5.5
105.07018	18.2
105.10456	1.2
107.04927	4.9
107.08571	22.5
109.02886	2.5
109.06509	14.8
109.10139	100.0
111.04427	1.9
111.08022	2.1
111.11697	32.8
113.05997	6.5
115.03909	30.1
116.46107	1.1
117.07005	4.7
119.04877	1.6
119.08550	14.9
121.06504	9.8
121.10114	17.4
123.08060	2.8
123.11694	30.9
125.06021	9.1
127.03915	2.9
127.11179	7.8
129.06961	1.8
131.08522	10.7
133.04953	21.6
133.06487	2.2
133.10109	12.4
135.08034	6.8
135.11674	7.7
136.64011	1.3
137.09628	6.5
139.11174	2.1
141.06967	1.8
143.08545	7.0
145.04985	1.7
145.10106	14.4
147.08008	2.5
147.11647	9.2
149.09616	4.7
149.13245	1.6
150.07594	4.1
151.03911	5.0
151.07559	1.6
151.11194	4.7
153.12724	7.4
155.08522	1.1
156.09358	2.6
157.10098	2.4
159.08105	1.4
159.11690	9.9
161.09601	1.4
161.13252	5.9
163.03925	1.3
163.11241	3.1
163.14735	1.2
165.12811	1.9
167.07001	1.3
169.04964	1.4
171.11607	12.8
173.09677	1.4
173.11751	2.3
173.13239	6.3
179.10649	1.7
183.11641	1.2
185.13188	1.7
187.14838	5.6
189.09354	1.2
189.12669	5.1
189.16237	1.5
195.19067	1.2
197.11720	1.5
201.16400	5.1
205.10063	1.4
205.15936	2.4
209.05905	1.3
211.14748	2.3
219.17439	1.4
221.07884	1.1
229.15903	8.5
244.45921	1.2
247.16867	50.6
265.17786	10.1
373.24039	1.6
443.98743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
53.46418	0.3
54.82277	0.3
55.01860	1.5
57.03418	0.5
59.04977	0.3
63.29579	0.3
65.03922	1.3
67.05502	0.7
68.82426	0.3
69.03403	3.1
71.04993	0.5
79.05470	11.0
81.03397	0.7
81.07034	10.4
83.04955	0.6
85.02902	2.1
85.06532	0.5
87.04420	0.4
91.05455	21.8
92.08662	0.3
92.09181	1.5
94.04153	2.9
95.04942	7.9
95.08547	0.5
97.06503	0.6
99.04429	0.6
103.05466	0.7
105.03356	4.3
105.04462	0.5
105.07016	0.8
107.04935	6.5
107.98483	0.3
109.06494	53.0
109.10191	0.4
119.04917	10.5
119.05875	0.6
119.08528	0.6
121.06471	0.6
122.03590	1.3
123.04391	5.2
123.07986	0.4
124.05182	0.4
125.05944	0.7
127.03876	0.6
127.07495	3.2
131.04892	1.4
133.02818	17.3
133.06425	0.5
133.10115	1.3
135.04378	3.9
135.83400	0.3
137.05946	97.2
138.06371	0.4
140.04654	0.3
145.02856	1.6
145.06551	0.4
145.97018	0.3
146.13586	0.3
146.53397	0.3
147.04384	6.8
149.05942	0.8
151.03894	0.7
151.07552	0.7
152.04607	0.5
153.05447	1.9
154.06216	1.9
155.07047	1.5
161.05888	0.8
161.09589	0.4
163.03775	0.4
165.05431	55.4
167.06990	17.2
177.05420	3.1
179.06969	2.1
179.10666	1.5
180.07758	0.5
183.04951	0.3
183.06522	2.2
190.06172	0.4
197.08044	100.0
205.06474	0.6
207.07991	2.1
207.17267	0.4
210.06715	0.4
211.07512	0.6
223.07582	0.5
231.06415	0.8
233.06004	0.4
235.07469	2.0
240.07582	0.4
251.06902	0.5
253.08467	1.9
279.06329	2.3
283.06039	0.4
283.15173	1.4
287.05362	6.0
311.09314	0.4
331.11710	4.3
339.08505	8.1
357.09476	0.5
594.21307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79248	2.2
55.05505	2.3
81.07045	11.5
83.08614	3.2
84.12495	2.4
86.72205	2.5
92.08633	5.4
93.07031	4.7
95.08572	18.6
98.23112	2.4
107.08559	9.4
109.10160	4.5
119.08570	5.9
121.10089	9.5
133.10155	3.3
143.08595	2.9
144.09358	3.7
145.10063	5.3
161.13229	2.4
169.10109	10.9
170.10872	3.8
187.14763	4.6
213.16315	2.7
222.23016	2.5
232.01793	3.3
241.06706	16.7
261.09317	3.6
274.06323	4.2
276.97842	2.5
303.62787	3.1
311.14487	2.8
331.03201	2.5
346.45685	2.8
360.46213	3.7
415.03958	2.5
428.21640	8.6
429.22070	4.3
430.19571	3.6
437.67371	3.0
443.20279	13.2
445.21906	18.9
446.22751	26.1
447.23148	3.8
459.23691	3.5
461.25043	30.3
463.26520	25.0
479.22217	4.0
481.23920	4.3
529.29517	46.5
552.31055	23.6
570.32312	100.0
588.33160	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	594.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.00309	0.3
53.03937	1.6
55.01862	0.8
56.06115	0.3
58.05064	0.3
63.70399	0.3
64.30484	0.3
65.03931	1.6
67.05475	1.3
69.03421	2.6
69.80984	0.3
70.04185	0.2
77.03902	0.6
78.04681	0.6
79.05472	10.6
81.03393	0.4
81.07037	10.4
81.30175	0.3
85.02898	0.6
91.05458	21.3
94.04147	3.5
95.04941	6.2
97.02868	0.4
103.05457	0.6
105.03381	3.3
105.04497	0.7
105.07027	0.5
107.04945	8.6
107.05618	0.6
109.06499	56.0
119.04922	10.5
119.05878	0.6
119.08559	0.5
121.06481	1.7
122.03624	1.7
123.04395	5.6
124.05062	0.4
125.05969	0.7
131.04886	0.6
133.02829	17.1
133.06532	0.5
135.04390	6.3
137.05951	100.0
140.04686	0.4
147.04396	6.5
149.05934	3.1
151.07532	1.4
153.05501	1.7
154.06207	2.2
155.07054	0.7
161.05881	0.3
163.03932	0.6
163.07510	0.4
165.05435	54.6
167.06995	15.4
169.08597	0.5
177.05470	1.6
179.07022	2.3
181.08569	2.0
182.05708	0.4
183.06520	0.7
186.26427	0.4
192.07899	0.4
193.08588	0.5
197.08054	94.3
208.78770	0.4
208.99641	0.3
209.08066	0.3
221.08031	0.5
241.10724	0.6
249.14723	0.3
301.10718	0.6
304.58228	0.3
329.13550	0.4
331.11731	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	593.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95341	0.5
53.03942	0.9
55.01859	0.9
55.05505	1.0
57.03428	3.0
57.07071	6.2
59.04992	10.1
65.03927	2.3
67.05497	32.2
67.33817	0.5
69.03417	12.0
69.07060	0.8
71.04978	30.2
71.05375	1.0
72.58508	0.6
73.06541	3.3
79.05490	4.0
81.07056	3.5
83.01334	0.6
83.04973	2.3
85.02881	0.7
85.06530	35.2
87.04464	4.4
91.05450	5.3
93.07012	5.3
95.04948	27.8
95.08598	3.7
97.06522	0.6
99.36935	0.6
101.05993	1.1
105.07034	7.1
107.08569	6.3
109.10157	1.3
113.05992	76.0
115.05473	0.7
117.07007	2.9
119.08569	4.3
121.02822	0.7
121.10141	0.9
125.05993	1.2
125.09657	0.8
128.06184	6.7
129.06963	2.3
131.08549	3.9
133.10118	2.9
135.11723	1.0
141.06984	2.2
142.07742	1.0
143.08542	12.0
145.06552	0.8
145.08612	8.0
145.10133	2.6
147.04469	0.7
147.11627	4.6
153.07013	0.6
155.08554	3.5
157.10088	4.3
159.08066	1.2
159.11684	3.6
163.07516	0.7
165.06975	0.8
166.07700	2.6
167.08578	0.7
168.09329	1.0
169.10107	1.4
171.08034	0.7
171.11676	1.3
179.08516	1.3
181.10114	4.7
183.11676	3.0
185.13194	1.1
187.07513	7.7
187.14821	2.7
189.09151	0.7
195.11714	2.9
195.42822	0.7
195.79619	0.6
199.11209	1.1
201.09193	0.7
207.11638	0.8
211.14497	0.6
225.09062	1.1
227.10725	2.5
235.14726	0.6
239.10660	0.7
241.12218	0.7
247.14809	0.9
253.12270	0.6
267.74783	0.5
289.19357	0.9
325.21542	4.6
335.20001	7.5
353.21082	11.4
371.22134	8.2
383.61246	0.9
431.24136	0.6
451.28378	1.0
469.29456	8.0
497.28903	100.0
498.29367	1.2
515.29999	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	593.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01611	0.5
54.05003	0.4
55.01846	0.5
55.05501	2.5
57.03425	3.7
57.07066	6.5
59.04990	11.5
61.01723	0.4
65.03922	1.0
67.05492	37.7
68.99036	0.4
69.03072	0.6
69.03419	13.9
69.07058	0.8
71.04977	26.4
73.06524	2.4
75.36648	0.5
79.05474	4.3
81.03376	0.5
81.07035	5.0
83.04959	3.1
83.86356	0.4
85.02886	1.0
85.06529	34.4
87.04443	7.0
91.05466	6.1
92.08563	0.9
93.07016	5.0
95.04945	36.9
95.08595	5.8
97.06521	0.8
99.08063	0.7
100.49808	0.5
101.05977	1.1
105.07001	5.7
105.74786	0.6
107.08584	5.2
109.06483	0.6
109.10143	9.5
113.05990	100.0
117.06995	2.5
119.08517	2.6
121.10129	0.9
125.05956	0.6
125.35279	0.5
128.06224	2.5
129.06999	3.3
130.07782	0.6
131.08534	4.3
133.10088	2.9
135.11623	1.1
141.06966	2.9
142.07751	2.8
143.08548	10.7
145.06639	0.5
145.08583	17.9
145.10088	3.5
147.08003	0.6
147.11638	3.7
149.05905	0.6
153.05350	0.5
153.06905	1.1
154.07721	0.7
155.08510	3.9
156.09238	0.9
157.10168	3.6
159.08034	1.3
159.11653	2.4
161.13148	0.8
163.07541	1.1
165.06949	2.2
166.07742	2.2
167.08554	4.1
168.09299	1.1
169.10091	4.3
171.08009	0.9
171.11603	1.2
173.09537	0.7
173.13242	0.8
175.07552	0.7
179.06987	0.6
179.08521	2.3
180.09280	0.9
181.10112	7.1
182.10872	0.7
183.08063	0.7
183.11659	3.0
185.09718	0.6
185.13254	0.7
187.07489	6.8
187.14749	3.1
193.10097	2.6
195.11685	4.8
197.09523	2.5
199.11171	2.4
199.14810	1.0
207.11684	1.2
209.09570	1.2
209.13126	0.6
211.11177	2.2
213.09074	2.3
213.16304	0.9
221.13223	0.7
225.09048	9.3
225.12497	0.7
227.10590	8.5
233.13193	0.9
235.14854	0.7
239.10606	11.4
241.12164	2.6
243.10063	2.6
247.14978	0.7
253.12225	2.9
255.13861	0.6
257.11551	5.7
261.16248	0.6
279.13541	0.8
288.49194	0.6
289.19522	1.2
307.20493	2.8
317.18948	0.6
325.21524	3.4
335.19995	18.6
353.21048	58.4
371.17599	0.9
371.22076	14.7
389.23178	1.1
449.25375	0.9
515.29785	3.6
574.30145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51637	0.4
55.05502	1.1
56.96548	0.5
57.03426	5.3
57.07070	10.4
59.04991	19.8
65.03925	2.3
67.05493	44.5
69.03416	55.3
69.07056	1.0
71.04975	36.4
72.45814	0.5
73.06543	3.9
79.05479	1.3
81.07059	5.3
83.04963	2.9
85.06531	51.1
87.04449	7.9
91.05476	2.6
91.44100	0.5
93.07017	3.0
95.04945	34.0
95.08592	3.7
98.97583	0.8
99.08096	0.9
101.05976	0.8
105.03392	1.0
105.07024	6.1
107.08582	3.5
109.06488	2.2
109.10129	0.6
113.05989	100.0
117.06991	1.0
119.08555	2.6
119.34796	0.6
121.06515	0.7
121.10103	1.1
125.05956	1.2
127.07523	2.4
129.07004	1.2
131.08549	2.8
133.10118	2.1
135.11633	0.6
138.24535	0.6
141.07014	0.9
143.08543	3.1
145.08574	34.4
145.10094	3.0
147.11707	2.2
153.05554	0.8
155.08575	1.4
157.10132	2.6
159.11676	3.5
161.13214	0.6
165.05435	0.8
167.08469	0.9
169.10112	2.3
171.11670	2.5
173.13310	0.6
179.08536	0.7
181.10100	3.0
183.11678	1.4
185.01245	2.1
185.09503	0.8
185.13216	1.1
187.14735	0.9
189.09131	0.5
195.11714	1.2
197.13316	0.6
199.11165	0.6
207.11736	1.0
207.68468	0.6
209.13199	0.8
227.10725	1.1
227.17917	8.5
229.12166	0.7
233.13249	0.7
237.16457	0.7
253.11946	0.6
289.19525	1.0
307.20520	1.1
317.18918	0.7
335.20007	6.9
353.21048	25.9
371.22089	10.8
377.55685	0.6
413.23132	2.8
431.24292	0.8
593.29230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.5
54.81462	0.6
55.01856	0.9
55.05502	1.7
57.03433	5.6
57.07061	4.7
59.04988	57.6
61.02915	0.5
65.03922	2.2
65.93759	0.4
67.05489	42.3
68.96640	0.4
69.03413	100.0
69.07044	2.1
70.46581	0.4
70.75112	0.4
71.04974	14.6
73.06532	7.1
79.05463	2.4
81.07027	6.1
82.14192	0.4
83.04953	4.7
85.06525	13.4
87.04445	22.7
87.94118	0.4
91.05453	2.6
92.08759	1.9
92.09345	1.0
93.07005	3.8
95.04942	64.8
95.08595	4.0
97.06525	0.6
97.19671	0.4
97.50375	0.4
99.08028	1.5
101.05990	6.8
105.07004	6.1
107.08564	2.3
109.06501	4.3
109.10117	0.8
113.05983	98.8
114.06316	0.7
117.07005	0.7
119.08545	2.6
121.10138	1.1
123.08042	0.6
125.05930	0.5
127.06615	0.8
127.07524	13.5
129.06998	2.1
131.08524	2.6
133.10091	2.6
141.06958	0.7
143.08516	3.1
145.08574	59.5
145.10045	3.6
147.11673	1.0
153.05429	0.8
155.08496	1.8
157.10083	2.4
159.11612	2.5
161.09520	0.5
166.07736	0.5
169.10097	0.5
171.08121	0.4
171.11665	2.0
173.13214	0.8
175.07442	0.5
175.14844	0.6
179.08551	0.5
181.10089	2.0
183.11627	2.4
185.13156	1.7
193.10182	0.5
195.11690	1.8
197.13158	0.4
199.14751	0.7
201.16261	0.7
207.11629	0.9
209.13174	0.8
221.13208	0.5
225.09177	0.7
227.10611	2.3
227.17879	8.8
233.13135	0.7
235.14580	0.7
239.18050	0.5
253.11996	0.5
267.13760	0.5
275.17694	0.6
279.13681	0.8
289.19473	1.0
291.21030	0.5
296.02536	0.5
307.20343	0.8
325.21393	0.9
335.19974	8.8
336.20322	0.5
353.21008	29.3
354.21405	0.6
371.22144	13.6
413.22839	2.9
431.23978	2.2
515.28979	0.8
575.31830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45092	1.1
57.03425	2.3
57.07056	7.8
59.04982	8.7
59.06109	7.9
60.04514	2.9
60.05628	2.8
60.38812	1.3
67.05492	35.5
69.03411	20.3
69.07051	1.7
71.04977	25.1
78.77782	1.1
79.05472	2.7
81.07049	6.7
83.04963	2.6
83.08598	1.1
85.06530	30.9
87.04449	2.5
91.05468	2.2
93.07003	2.3
95.04945	41.7
95.08555	2.9
96.18391	1.5
105.07010	7.9
107.02596	1.3
107.08576	9.4
111.04427	1.9
113.05988	100.0
114.06346	1.8
119.08568	3.0
121.10103	2.3
131.08553	6.4
133.10118	2.3
143.08487	1.8
145.08580	14.1
145.10072	8.8
155.08545	1.8
157.10057	5.3
159.11658	7.5
169.09985	1.9
171.11690	2.4
181.10139	2.4
183.11656	2.8
185.13182	2.7
195.11798	1.8
227.17792	9.7
289.19363	2.1
325.21582	1.9
335.19873	9.2
353.21069	32.5
371.21985	15.3
372.22534	1.8
389.22986	8.8
390.23386	3.1
413.23328	2.2
431.23950	5.3
619.90961	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.4
57.03417	3.1
57.45188	1.2
59.04976	7.4
59.52497	1.0
62.85588	1.0
63.44331	1.0
65.92834	1.0
67.05486	5.9
69.03410	5.7
71.04965	5.0
74.21703	1.3
79.05495	4.2
81.07030	3.0
83.04952	6.1
85.02887	29.4
85.06527	14.7
87.04449	100.0
88.38652	1.3
91.05456	7.0
93.07001	7.3
95.08578	5.2
99.04423	2.0
105.07021	9.4
107.08592	6.3
109.10171	2.6
111.04488	4.3
113.05974	2.7
115.07539	1.7
117.07007	5.4
119.08573	6.5
121.10092	2.7
129.05464	2.7
129.06992	2.3
131.08562	8.3
133.10109	6.3
143.06952	2.7
143.08556	5.2
145.10104	8.8
147.11687	5.5
153.07059	1.5
155.08511	3.1
157.10138	3.0
159.11671	7.3
161.13251	5.3
167.08492	1.5
169.10085	3.1
171.11627	2.8
173.13251	1.9
175.07555	2.8
181.10077	5.4
183.11630	7.0
184.37244	1.3
185.13307	2.6
187.61980	1.2
197.13263	1.7
199.14760	1.5
221.13145	1.9
227.10680	4.5
281.14429	1.4
291.21039	1.8
313.74704	1.3
337.21539	30.7
355.22595	29.8
373.23611	25.4
420.75299	1.4
476.94406	1.4
601.58130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46209	1.2
55.05503	1.6
56.96556	25.4
57.03420	3.3
57.07085	4.5
58.27906	1.1
59.04987	7.9
59.06116	13.6
67.05492	20.8
69.03413	12.9
71.04981	15.8
79.05474	2.4
81.07054	9.1
83.04971	2.0
85.02890	6.6
85.06535	18.8
87.04462	13.6
91.05482	3.4
93.07017	7.0
95.04964	25.2
95.08604	8.1
97.96812	2.8
98.97569	83.9
100.99133	1.2
105.03385	1.3
105.07022	7.7
107.08591	6.7
109.10165	2.2
111.04427	2.2
113.05989	50.5
113.06746	2.3
115.97809	1.5
116.98597	82.9
117.06973	1.9
119.08581	3.2
121.10148	2.5
123.04408	1.3
125.06009	3.0
131.08542	3.1
133.10139	1.9
134.99637	58.8
135.00610	2.3
135.11694	1.5
143.00145	17.2
143.08554	6.1
145.08580	10.6
145.10132	5.6
152.62920	1.3
153.00740	11.0
153.05486	2.7
157.01707	4.8
157.10222	2.0
158.01334	1.8
159.11694	2.6
161.01210	26.8
165.05460	7.8
168.36403	1.4
169.01698	5.6
171.11670	3.1
175.02762	2.1
179.02267	2.5
185.01189	20.2
187.02797	11.5
201.04321	1.8
203.02249	29.2
205.03807	2.1
213.16348	1.4
219.05409	1.7
226.03920	1.3
229.03824	6.5
243.05452	2.5
247.04839	2.1
253.32155	1.4
261.06433	14.3
335.19885	1.7
353.21066	11.4
371.18170	2.1
371.22205	6.4
389.19699	2.4
407.20953	15.0
407.71085	1.6
425.22083	16.0
431.20752	3.0
449.21872	10.4
467.23077	1.9
593.29895	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	593.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07312	1.0
50.13190	1.1
53.03933	2.9
54.20975	1.1
55.01863	5.8
55.05497	6.6
57.03434	9.8
61.02917	10.8
65.09954	1.2
67.05491	21.6
69.03416	31.4
69.07043	5.9
71.04971	2.1
73.02895	5.3
79.05473	19.8
81.03394	15.9
81.06590	2.5
81.07036	47.8
83.04958	2.5
83.08623	2.0
85.02887	68.0
85.06544	1.4
87.04457	5.7
87.36900	1.2
91.05457	29.8
93.07024	25.1
95.04948	7.9
95.08581	16.6
97.02867	24.4
97.06521	3.3
99.04449	6.8
103.05429	2.5
105.03364	2.7
105.07010	39.8
107.08582	17.7
109.02863	9.0
109.06516	2.4
109.10159	7.2
111.04433	1.6
114.55875	1.3
115.05425	3.0
117.06984	20.9
119.04951	11.0
119.08553	30.6
121.06489	3.1
121.10133	7.1
123.04372	2.6
123.08035	5.2
125.05963	14.6
127.03882	8.5
127.07581	1.4
128.06209	2.3
129.06978	19.8
130.07758	2.2
131.08542	32.9
133.06488	1.8
133.10098	17.3
137.05943	2.3
141.06949	8.3
142.07745	7.4
143.08545	24.4
144.09343	2.5
145.04976	6.0
145.10088	23.8
147.04390	17.4
147.08014	3.1
147.11673	14.3
149.09604	1.8
153.05466	6.6
153.06958	1.9
154.07707	1.5
155.07156	2.1
155.08517	19.7
157.10103	34.9
159.08044	2.1
159.11658	31.8
159.29153	1.4
161.13272	1.6
161.99280	1.4
163.07503	2.8
163.11203	1.8
165.05443	5.6
165.06989	6.2
166.07820	1.8
167.07155	1.7
167.08545	8.1
168.09259	2.3
169.10052	14.7
170.10899	2.9
171.11661	12.7
173.09575	3.2
173.13223	6.3
175.07552	7.1
177.05437	2.5
179.08559	7.9
180.09258	2.0
181.10069	17.4
182.10904	2.3
182.15381	1.4
183.11650	16.9
185.09596	2.8
185.13181	9.6
187.11183	1.9
187.14790	6.3
189.12601	1.5
191.08388	1.6
192.09314	2.8
193.10095	10.8
194.10872	2.4
195.11662	14.9
197.13243	13.1
199.11237	1.9
199.14758	9.0
201.09016	1.4
204.09315	1.6
205.10150	2.1
206.10927	2.5
207.11662	10.5
209.09555	2.9
209.13194	15.4
211.11217	2.5
211.14772	8.9
212.15535	1.4
213.16302	5.0
215.14102	1.4
217.10258	1.9
217.12206	1.7
217.15973	1.4
218.10765	3.1
219.11661	7.0
220.12544	2.5
221.13203	8.4
223.11281	2.3
223.14803	3.1
225.09099	2.1
225.12895	1.5
227.10715	7.0
229.12206	1.8
231.11674	3.2
232.12398	2.2
233.13223	12.2
234.14024	1.8
235.11073	2.5
235.14813	3.2
237.12735	1.9
237.16281	2.4
239.10626	2.7
241.12221	3.1
245.13193	1.7
246.14084	2.1
247.14790	8.1
249.12576	1.8
249.16431	3.2
251.18001	5.3
253.12231	6.9
255.13708	5.8
261.12732	2.9
261.16214	2.9
269.15262	5.9
275.17859	10.3
279.13782	2.8
279.20844	1.8
287.16483	2.5
289.19302	13.7
293.15338	6.4
293.18542	2.0
307.20523	10.0
317.18964	9.4
319.05914	1.7
325.21536	2.1
335.19949	74.0
353.21057	100.0
354.21518	2.6
371.22107	23.1
371.26312	2.2
401.11041	1.5
533.26685	2.5
593.21393	7.1
593.31683	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09221	2.2
57.07042	2.4
57.32389	2.1
67.05481	3.8
79.50072	2.2
81.07087	2.3
86.59132	2.1
87.52495	2.4
93.06976	2.3
95.08562	3.8
100.75948	2.1
161.71669	2.6
215.98335	2.7
403.19040	4.3
417.20569	3.8
418.21283	3.1
419.22440	2.7
431.18451	13.8
433.23901	4.1
445.19815	16.6
446.20862	3.8
447.21851	3.1
459.21445	4.5
460.22644	18.1
461.23099	14.7
470.85593	2.6
473.22855	3.1
533.25287	68.1
534.25079	3.2
593.27490	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	592.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54811	0.2
52.69232	0.3
52.71954	0.2
53.03926	0.6
55.05497	0.7
57.03420	0.6
59.04978	0.3
61.28796	0.2
65.03908	0.5
65.08495	0.3
67.05487	0.7
69.03410	3.6
69.07036	0.7
71.04955	1.3
81.03395	9.3
81.07026	1.2
83.08595	0.4
85.02886	4.6
85.06539	0.6
87.04449	1.8
91.05467	0.4
92.46642	0.3
93.07014	0.7
95.04948	7.3
95.08594	0.5
97.02874	5.7
98.97546	0.3
99.04443	1.3
100.11237	0.4
105.07021	1.4
105.77982	0.3
107.08556	0.3
109.02852	3.5
109.10162	0.5
111.04414	1.3
111.08041	0.3
113.05989	1.5
119.08577	0.5
121.02842	100.0
121.10035	0.4
125.44070	0.3
127.03886	1.7
133.10130	0.4
135.08093	0.3
139.03880	16.8
145.04950	0.7
145.08571	0.4
145.10147	0.4
200.27054	0.4
218.91490	0.4
219.01863	0.4
255.17488	0.4
265.06979	9.2
283.04993	0.6
283.08066	16.1
289.19556	0.4
353.20819	0.4
381.99081	0.4
393.31305	0.4
441.39642	0.3
585.07623	0.3
591.42853	0.4
592.44031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2752
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.53737	0.2
67.05483	0.4
68.16107	0.2
70.44054	0.2
72.60084	0.3
77.44865	0.2
81.07035	0.4
93.07064	0.3
93.78790	0.3
95.08609	0.4
111.11759	0.3
116.60551	0.3
160.32234	0.3
221.10670	0.3
249.13814	0.4
388.16589	0.6
389.17480	1.1
390.18274	0.3
401.17743	0.4
402.18445	1.1
403.19153	3.9
404.19778	0.7
405.20804	2.3
416.20270	0.4
417.21234	4.9
418.21866	2.1
419.22211	4.7
420.22586	0.4
430.17358	0.9
431.18060	10.3
431.23694	0.6
432.19473	3.1
433.24054	7.9
434.24768	2.3
445.19821	13.0
446.20712	6.0
446.26056	0.3
447.21591	6.4
459.21671	6.3
460.22388	15.8
461.23270	12.7
462.23978	0.5
463.20074	0.3
473.23395	1.7
476.25958	0.6
477.22519	0.5
487.24799	1.3
489.26611	0.4
491.24185	0.5
492.25003	2.3
505.21893	5.7
518.23010	1.1
519.23761	1.5
533.25378	36.1
534.25616	2.0
564.23761	0.4
565.27936	0.5
592.27448	2.1
592.35516	0.3
593.27460	100.0
594.28131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20382	4.0
54.81400	5.1
55.05497	24.1
56.12632	4.2
57.03418	21.9
57.06847	3.9
57.07073	61.9
67.05492	86.0
69.07042	21.3
71.08616	43.0
74.91029	4.2
79.05482	38.2
81.07040	100.0
83.08603	19.9
85.10171	18.4
91.05459	26.3
93.07031	66.7
95.08579	79.1
97.10167	5.4
105.07034	19.6
107.08589	36.9
109.10122	32.9
117.06962	4.8
119.08559	19.3
121.10115	22.9
123.11707	5.2
131.08549	19.3
133.10103	11.1
135.11661	26.0
139.52342	5.1
144.79700	5.5
145.10156	17.9
147.11638	7.6
149.13200	10.2
159.11708	10.1
162.34784	4.5
163.14680	5.8
173.13234	6.2
201.82184	4.5
205.06079	4.9
212.26086	4.2
243.20976	7.0
261.22055	37.0
262.49030	4.3
313.27328	79.0
335.25754	65.3
573.48547	22.0
591.25629	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05503	1.0
57.03423	3.6
57.07074	1.3
59.04992	37.2
59.05293	1.2
61.25804	0.8
64.92256	0.7
65.03900	0.8
66.75645	0.8
67.05496	27.2
69.03418	100.0
69.07047	0.9
71.04980	9.1
73.06527	3.9
79.05482	3.6
81.07043	3.3
83.04955	1.9
83.08590	0.9
85.06516	7.5
87.04444	12.3
91.05464	3.8
92.64085	0.9
93.07007	4.1
95.04951	41.4
95.08592	3.6
101.05989	3.2
105.07005	6.8
107.08580	4.2
109.06525	1.9
109.10155	1.8
113.05991	57.8
117.06996	1.4
119.08562	4.4
121.10104	1.1
125.06026	1.2
127.07505	8.8
129.06979	1.5
131.08553	3.9
133.10143	3.4
142.07765	0.9
143.08540	3.7
145.08588	27.6
145.10080	4.9
147.11687	4.5
155.08540	1.7
157.10210	1.5
159.11691	3.3
161.13225	3.7
163.11154	0.8
173.13225	1.0
175.07503	2.1
181.10162	1.2
183.11679	3.4
185.13210	1.3
195.11723	1.0
199.14720	1.0
202.01866	0.9
215.17938	1.1
227.10664	3.8
229.12309	3.3
241.12070	1.1
253.19453	0.9
255.13684	1.3
267.13727	1.0
291.21014	1.9
319.20514	1.5
337.21518	22.7
342.11938	0.9
355.22647	22.7
373.23682	22.6
414.70386	0.9
499.30588	1.5
517.31439	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	591.3163
Annotation	CHEBI:70547
Peak:m/z	Relative Intensity
51.85665	0.7
52.77441	0.7
55.05507	4.3
57.03426	5.2
59.04993	8.8
59.05833	1.7
59.06114	39.0
59.85536	0.7
65.66315	0.8
67.05490	4.0
69.03415	1.1
71.04969	3.1
76.14724	0.7
79.05488	6.5
81.07027	9.5
83.04945	3.1
83.08572	1.0
85.02883	25.4
85.03358	1.3
85.06535	5.1
87.04450	100.0
91.05456	4.4
93.07036	7.4
95.04970	1.1
95.08590	8.2
99.04417	1.9
105.07007	9.7
107.08572	8.5
109.10152	1.2
111.04439	3.7
113.05988	1.1
117.07002	3.5
119.08567	5.3
121.10114	4.1
125.05960	1.7
128.06204	0.9
129.05420	1.8
129.06969	3.5
131.08557	7.6
133.10118	3.7
141.06960	1.8
142.07802	1.0
143.07065	1.2
143.08530	4.9
145.10110	5.1
147.08051	1.3
147.11668	1.6
155.08539	1.6
157.10112	4.0
159.08145	1.2
159.11690	5.6
167.08450	1.0
169.10124	3.3
171.11696	2.0
173.13249	6.4
175.14754	1.6
181.10144	1.7
183.11743	3.5
185.13280	1.2
195.11670	1.8
197.13257	1.0
199.14838	1.4
207.11746	1.0
215.10684	1.1
219.11789	1.2
227.10646	1.8
227.17888	6.2
289.19366	1.1
317.18967	1.0
325.21671	1.0
335.20059	8.9
339.72159	0.9
353.20996	39.0
369.26871	0.9
371.22107	8.8
413.23605	1.0
431.23810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01861	1.3
55.05494	0.6
57.03222	0.3
57.03430	4.5
57.07067	8.5
57.07334	0.6
59.04714	0.5
59.04992	10.7
60.54632	0.3
65.03932	3.3
65.04212	0.4
65.23468	0.3
66.89640	0.3
67.05492	40.6
69.03417	17.6
69.07057	0.5
71.04977	29.9
73.06537	1.9
79.05481	3.7
80.64732	0.4
81.03390	0.6
81.07043	3.8
83.04971	2.7
85.02885	0.4
85.06531	36.8
87.04459	5.5
91.05461	4.2
93.07024	5.1
95.04951	39.3
95.08613	2.4
97.06487	0.5
101.05989	1.7
105.03368	0.3
105.07003	4.6
107.04944	1.3
107.08590	2.3
109.06491	2.6
109.10140	1.8
113.05988	100.0
114.06293	0.4
115.05453	0.4
117.06998	1.8
119.08542	2.4
121.06454	1.1
123.04377	0.6
123.08077	0.5
125.05977	1.6
127.07521	0.5
128.06207	1.5
129.06992	3.3
131.08545	3.5
133.06497	0.8
133.10121	2.0
135.08041	0.5
135.11697	0.4
141.06975	1.9
142.07755	0.7
143.08556	4.0
145.06468	0.6
145.08588	13.8
145.10019	3.7
147.08057	1.3
147.39897	0.3
149.09543	0.4
153.05482	0.6
153.06912	0.6
154.07759	1.6
155.08554	3.3
157.06438	0.7
157.10069	3.0
159.08026	1.3
159.11696	1.8
161.09575	0.5
165.07007	1.3
166.07732	0.4
167.08531	1.5
168.09288	0.6
169.10075	5.2
171.08015	0.8
171.11659	1.4
173.05968	0.3
173.09583	0.7
173.13213	0.5
175.07558	0.4
175.11150	0.4
178.07741	0.4
179.08533	1.8
180.09302	0.5
181.10080	3.4
183.08055	0.5
183.11671	3.6
184.08701	0.4
185.09624	1.2
185.13219	1.6
187.07504	0.3
191.08655	0.3
192.09465	0.4
193.10086	1.4
195.07988	0.6
195.11739	1.5
197.09648	2.8
197.11211	0.3
197.13216	1.3
199.11115	0.4
203.14354	0.5
204.09261	0.4
205.10129	0.6
207.11620	1.7
209.09657	0.5
209.13217	1.8
211.11174	1.9
213.09166	0.5
213.12697	0.5
215.10751	2.3
217.10129	0.6
219.11601	0.5
221.13286	1.3
223.11073	0.7
223.14851	0.4
225.09229	2.3
227.10616	1.9
231.11728	0.4
232.12489	0.6
233.13263	0.5
235.11122	0.5
235.14754	0.6
239.10687	0.6
241.12346	0.4
243.10133	1.2
245.13251	0.5
246.16148	0.5
247.14693	0.5
248.15353	0.4
249.16437	0.5
251.10741	0.6
253.12344	0.5
255.17432	0.6
263.16220	1.1
277.12411	0.4
277.19470	0.4
287.17941	0.5
291.14047	0.4
291.17502	0.5
305.15714	0.4
305.18695	2.5
307.16998	0.6
307.20654	1.1
309.18433	2.5
315.17596	0.5
323.20074	3.5
333.18451	4.3
341.20990	0.5
351.19452	14.7
369.20541	21.2
369.25266	0.7
387.21542	9.8
429.22937	0.5
447.23837	0.6
467.27765	0.5
495.27271	1.5
513.28424	5.1
531.29419	3.3
573.30988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01853	1.0
55.05507	4.7
57.03423	4.6
59.04750	0.6
59.04991	8.9
59.06100	0.6
67.05489	5.6
69.03410	2.1
69.07037	0.7
71.04971	4.2
72.65243	0.5
77.06004	0.7
79.05469	5.6
81.07032	14.7
83.04957	4.4
83.08575	0.6
85.02894	29.5
85.06529	7.6
87.04447	100.0
88.47374	0.5
91.05460	9.4
92.09286	0.8
93.07014	6.5
95.04942	2.6
95.08572	3.4
98.97585	0.6
99.04430	2.6
105.07011	11.1
107.04939	0.6
107.08574	4.5
109.02924	1.0
109.06454	0.6
109.10117	1.1
111.04421	3.2
115.05431	0.8
116.06228	0.7
117.07003	7.1
119.08548	8.5
120.50053	0.5
121.06432	0.8
121.10123	2.5
125.05955	3.2
128.06209	2.2
129.05457	1.1
129.06975	5.5
130.07768	1.1
131.08536	10.9
133.10121	4.8
135.07977	0.6
135.11647	0.6
141.06987	2.8
142.07816	3.9
143.07001	0.8
143.07458	0.9
143.08530	10.6
144.09332	0.8
145.10097	10.2
147.08014	0.7
147.11664	3.1
153.05530	0.6
153.06850	1.2
154.07715	0.6
155.08499	7.4
157.10089	12.8
159.08023	0.8
159.11671	11.1
161.09567	0.6
163.07494	0.9
165.06937	2.3
166.07690	0.8
167.08569	2.7
168.09332	0.9
169.10074	6.0
169.97008	0.6
171.11671	4.4
173.13239	2.2
175.07487	1.1
179.08542	2.8
180.09224	0.9
181.10129	5.1
182.10837	0.7
183.11699	6.1
185.13248	2.4
189.09006	0.7
191.08502	0.7
191.10612	0.7
193.10150	4.4
194.10864	2.3
195.11655	7.1
197.13203	4.4
199.11104	0.7
199.14810	3.2
205.10138	0.9
206.10901	0.8
207.11612	3.2
209.13202	3.7
211.11221	0.9
211.14810	3.0
213.16542	0.9
219.11609	2.8
221.13277	1.2
223.11028	0.7
223.14740	2.0
225.16406	0.5
227.10663	1.1
232.12274	0.7
233.13275	2.4
235.14761	2.8
239.10629	1.1
241.12050	0.9
245.13228	0.8
247.14738	2.9
249.16420	1.1
251.14400	0.9
251.17838	0.9
253.12091	0.6
255.13857	0.8
261.16336	1.4
267.13779	0.9
269.15460	0.8
274.17007	0.7
275.14658	0.6
275.17953	3.8
279.13657	0.9
279.20822	0.6
289.19339	4.8
291.20956	0.8
293.12323	0.6
293.15390	3.1
307.20499	3.2
309.21692	0.9
311.16382	0.9
317.18936	2.5
335.19958	28.6
353.21014	33.5
356.80698	0.6
371.22055	11.2
413.22815	0.9
512.51904	0.7
591.32770	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	591.3161
Annotation	CHEBI:70547
Peak:m/z	Relative Intensity
53.00299	0.4
53.03939	0.5
55.01865	0.6
55.05500	1.7
57.03424	3.7
57.06815	0.3
57.07071	7.6
59.04709	0.6
59.04990	12.6
65.03922	2.9
67.05492	43.8
69.03416	17.3
69.03799	0.4
69.07066	1.0
71.04976	27.2
72.95129	0.3
73.06534	0.8
75.04477	0.4
79.05473	4.5
80.19568	0.3
81.03408	1.7
81.07053	5.4
82.72141	0.3
83.04961	2.9
83.08601	0.4
85.02898	0.6
85.06531	32.1
87.04451	6.7
91.05463	5.6
92.08620	0.7
93.07026	7.5
95.04947	43.8
95.08584	5.0
95.58727	0.3
97.06494	0.6
99.08013	0.4
101.06016	2.4
105.03363	0.6
105.07002	7.9
107.04945	2.0
107.08578	4.0
109.02853	0.5
109.06524	2.6
109.10169	2.7
111.04431	0.6
111.08014	0.5
113.05988	100.0
115.05442	0.6
117.07009	3.7
119.08546	4.1
121.06470	2.8
121.10143	1.3
123.04384	1.9
123.08038	1.6
125.05963	1.6
127.03912	0.7
127.07531	0.5
128.06209	2.0
129.06995	5.5
131.08539	6.0
133.06470	1.6
133.10098	3.2
135.04391	0.6
135.08038	1.7
135.11658	0.6
137.05957	0.8
139.03871	0.6
141.06984	3.6
141.88126	0.3
142.07751	2.0
143.08539	7.2
145.06548	2.4
145.08591	17.3
145.10110	5.2
147.08047	1.9
147.11697	1.7
149.09558	1.0
151.07513	0.4
152.06151	0.5
153.05432	0.8
153.07013	1.5
154.07756	1.8
155.08537	5.2
156.09288	0.4
157.06500	1.3
157.10115	5.3
159.08006	2.9
159.11647	3.6
161.09575	1.3
163.11087	0.5
165.06961	2.4
166.07745	2.0
167.08492	3.9
168.09341	1.8
169.06490	0.6
169.10088	8.3
171.08018	1.9
171.11655	3.2
173.05963	0.4
173.09583	1.7
173.13216	1.3
175.07523	0.6
175.11169	1.4
178.07771	1.3
179.08507	3.6
180.09315	1.4
181.06505	0.3
181.10088	6.1
182.10902	0.4
183.08058	0.7
183.11629	4.1
185.09547	2.7
185.13219	2.9
187.07530	1.8
187.11206	1.4
189.09013	1.2
191.08636	0.6
193.10075	3.8
194.10927	0.5
195.08063	1.4
195.11682	3.3
196.08678	0.5
197.09572	5.6
197.13266	2.0
199.11145	2.4
201.09090	0.5
201.12723	0.8
201.16283	0.5
203.14362	0.5
205.08421	0.4
205.10112	2.1
206.10829	0.6
207.08029	0.6
207.11713	3.2
208.08621	0.4
209.09639	2.4
209.13213	3.3
211.07527	0.4
211.11177	1.8
211.14754	2.2
213.09059	1.4
213.12769	0.6
215.10686	2.6
217.10139	1.3
219.11722	2.2
220.12451	0.5
221.09637	0.7
221.13235	3.0
223.11171	1.7
223.14798	0.7
225.09061	3.6
225.12749	0.6
225.16348	0.5
227.10646	2.9
227.14261	1.2
229.12274	0.6
229.15829	1.3
231.11627	2.5
231.13669	0.5
232.12421	0.7
233.09674	0.5
233.13225	1.6
235.11143	1.4
235.14827	2.4
237.09106	0.4
237.12605	1.2
237.16350	0.5
239.10683	1.7
241.12155	1.4
241.15877	0.4
243.10156	1.9
245.13181	1.3
245.15417	0.7
246.16107	0.8
247.14758	2.0
249.12711	0.5
249.16341	1.3
251.10509	1.3
251.14424	0.5
251.17749	0.5
253.12091	0.7
253.15973	0.5
255.13806	0.4
258.13943	0.5
259.14697	0.4
261.16299	0.5
263.14230	1.4
263.18002	0.8
265.12372	0.4
267.13812	0.4
267.17407	0.6
269.11533	0.4
271.16821	0.8
272.15558	0.7
273.16312	1.6
275.14206	0.8
277.12143	1.3
277.19446	1.4
279.13885	0.6
279.17090	0.5
281.15390	0.5
281.18851	0.7
287.17917	2.2
291.14099	0.7
291.17380	2.9
293.15396	1.3
295.20404	0.6
299.16559	0.5
305.18945	6.6
307.16940	0.5
307.20511	1.4
309.15222	0.6
309.18323	3.8
315.17328	1.7
323.19983	5.6
327.19406	0.4
333.18430	11.9
341.21106	1.3
351.19489	29.1
369.20535	38.5
387.21582	21.5
393.20804	0.7
411.21555	5.0
429.22690	7.2
447.23660	5.7
448.15768	0.4
609.99048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44792	0.1
55.01619	0.3
55.01863	3.5
55.05493	0.4
57.03413	0.2
58.64855	0.1
66.65434	0.2
67.05467	0.9
69.03397	1.1
69.06776	0.1
69.07055	2.7
70.06569	0.3
71.04966	0.3
73.02900	0.2
75.36253	0.2
79.05438	0.4
81.03379	0.2
81.07059	1.3
83.04958	0.4
85.02883	0.8
87.04453	0.3
91.05458	0.4
93.07010	1.2
94.06526	0.7
95.04956	0.4
95.08572	1.2
96.04440	0.3
97.02880	1.3
97.06527	0.2
105.06974	0.7
107.08583	1.2
108.04460	1.1
108.05291	0.2
109.06513	0.3
109.10116	2.0
112.07565	0.3
114.51569	0.2
115.03959	0.2
119.08562	1.6
121.10094	0.8
122.05997	0.7
123.04364	0.2
123.08049	0.2
123.11701	0.3
127.11165	0.3
133.10123	1.3
135.11670	0.5
136.07542	1.0
137.09567	0.2
139.03847	0.2
140.07048	3.6
141.05498	0.2
143.10680	0.2
145.10060	0.3
146.06026	0.3
147.04292	0.2
147.11615	0.2
148.07536	4.7
154.08630	1.0
157.10101	0.3
159.11662	0.3
160.07544	0.4
163.11153	0.2
168.06535	3.7
170.09637	0.2
172.07443	0.2
174.05504	1.3
175.14729	1.0
193.15816	0.8
198.09094	0.9
199.08603	5.1
199.12331	0.3
200.09366	0.8
201.10178	0.3
202.08713	0.2
203.09343	0.4
203.17867	0.2
210.09167	0.4
211.16866	0.8
212.09372	0.4
213.10181	1.7
213.13661	0.2
214.10950	1.0
215.11815	1.8
221.05008	0.4
224.10715	0.7
225.10161	5.6
226.08707	1.3
226.10603	0.3
227.08064	2.1
227.11716	3.5
229.13338	1.0
237.10214	0.3
238.08508	0.2
240.08989	0.3
241.09589	1.2
241.13306	1.1
242.10489	1.2
243.11218	2.1
251.11671	0.2
252.10048	0.9
252.50316	0.2
254.10658	0.2
254.11668	0.2
255.11221	19.9
256.11734	0.3
257.12772	0.3
269.12729	5.2
270.11133	0.3
277.15363	0.2
279.23172	0.5
287.13843	1.2
291.09293	0.2
297.12277	6.8
297.15604	0.2
297.24149	0.2
299.13864	1.1
315.13321	100.0
316.13742	2.3
369.19006	0.3
393.19028	0.2
513.23486	0.3
591.27704	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	591.281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52752	0.1
55.01863	3.0
55.05495	0.1
64.39391	0.1
67.05466	0.3
69.03417	0.2
69.07042	1.9
70.06567	0.3
73.02891	0.2
73.46045	0.1
73.66401	0.1
77.46615	0.1
81.07030	0.3
85.02905	0.2
92.08851	0.3
94.06545	0.6
95.04958	0.3
96.04453	0.2
97.06509	0.6
103.84237	0.1
105.07021	0.3
107.08558	0.4
108.04442	0.7
109.10097	0.2
112.07592	0.7
120.08096	0.2
121.10101	0.1
122.06011	0.4
134.98091	0.2
136.07603	0.3
140.07043	3.3
145.02812	0.2
145.10098	0.2
146.05972	0.4
147.06827	0.2
148.07564	3.5
154.08624	0.2
160.07538	0.3
168.06523	3.2
172.07466	0.2
173.07141	0.2
174.05486	1.1
174.09142	0.3
196.11203	0.2
198.09061	0.8
199.08627	3.7
199.12465	0.2
200.09392	0.3
203.09332	0.3
210.09149	0.4
212.09462	0.7
213.10179	1.4
214.10936	1.1
215.11729	1.9
223.12254	0.2
224.10634	0.8
225.10188	4.7
225.12268	0.2
226.08646	1.4
226.10555	0.2
227.08133	1.9
227.11732	2.5
235.33859	0.2
237.10176	0.2
238.08705	0.6
241.09610	0.9
241.13289	1.1
242.10533	1.2
243.11232	2.0
251.11821	0.6
252.10066	0.8
254.10594	0.2
255.11221	20.3
256.11575	0.3
269.12772	5.6
270.11151	0.3
287.13806	0.4
297.09079	0.3
297.12283	5.8
299.13849	0.3
315.13330	100.0
316.13770	2.3
463.23871	0.2
591.28040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.2
56.46781	3.9
57.03434	27.5
57.07067	53.3
65.14192	3.7
67.05482	31.3
69.07041	6.3
71.08624	36.4
73.33150	4.0
76.22023	4.2
79.05470	18.3
81.03407	100.0
81.06602	4.0
81.07041	26.5
83.04960	5.5
83.08597	35.9
85.10166	16.1
91.05456	19.2
92.08670	14.3
92.09264	11.4
93.07013	16.3
95.04939	24.5
95.08583	18.0
96.82873	3.4
97.10158	6.2
104.34717	3.7
105.07023	25.2
109.10145	6.8
119.08582	8.3
129.06967	9.0
131.08543	8.2
133.10114	5.1
147.08047	5.2
147.11667	8.2
157.10106	9.2
175.11255	5.6
190.02957	4.0
193.12199	25.7
267.15881	85.6
313.27292	89.0
322.70471	4.2
442.75317	4.1
448.30325	5.5
505.38788	79.0
582.63239	4.5
590.44501	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	590.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.8
57.07059	1.6
63.74782	0.9
64.04121	0.7
66.74362	0.8
67.05486	11.0
69.06456	0.9
69.07055	12.7
79.05466	9.7
81.07034	27.0
83.08607	5.1
91.05445	5.6
92.08782	1.7
92.09274	1.2
93.07021	27.2
95.08005	1.8
95.08581	42.4
97.06457	1.2
97.10123	1.9
101.60130	0.7
104.34442	0.9
105.07018	15.5
107.07861	2.0
107.08574	46.4
109.09386	1.2
109.10133	25.6
111.17980	0.9
114.53782	0.9
116.91752	1.0
117.06983	4.5
119.08557	36.4
121.10119	29.9
123.11669	11.5
125.09568	1.6
129.06956	1.0
131.08533	12.4
133.10100	24.3
135.11674	27.7
137.13188	6.8
143.08522	5.5
145.10098	19.8
147.11655	20.1
149.13242	13.6
153.09117	1.1
157.10129	7.8
159.11659	24.8
161.09650	1.0
161.13223	16.8
163.14774	26.9
169.09975	1.5
171.11649	10.4
172.12483	1.0
173.13251	15.3
175.14778	15.5
177.16351	5.7
179.10559	1.6
179.14207	0.8
183.11697	2.2
185.13225	7.6
187.14777	14.8
189.16359	11.8
191.17888	3.7
197.13196	1.9
199.14801	5.7
201.16354	14.9
203.17867	7.1
211.14725	2.0
213.16321	4.9
215.17889	34.4
217.19576	1.5
225.16301	1.4
227.17921	4.8
229.19449	22.5
231.20981	1.8
239.17891	6.9
241.19478	17.5
243.21016	6.0
247.17024	1.8
253.19455	3.7
255.20979	7.8
257.22549	1.9
261.18402	13.1
267.20990	2.0
269.22525	5.3
273.18494	1.5
275.20016	7.4
279.20981	1.1
281.22592	1.5
283.24112	1.2
285.18463	1.2
287.20047	7.3
295.24133	4.2
301.21423	3.5
313.21500	1.9
315.23126	4.2
327.23105	1.3
391.33505	12.2
409.34503	22.9
419.32953	4.2
437.34036	39.8
455.35120	100.0
484.76202	0.9
559.66620	1.0
614.93658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.5
53.03929	1.1
55.01851	2.3
57.03430	21.5
59.04985	3.4
61.02914	7.3
62.33833	0.6
64.90171	0.6
69.03419	62.8
69.07031	0.9
71.04995	1.2
73.02888	4.1
75.04461	2.9
79.05448	0.6
81.03410	7.1
83.04984	1.4
85.02895	100.0
87.04456	38.1
91.03940	5.0
91.05460	3.3
92.08864	3.1
92.09389	0.8
95.04935	2.5
97.02881	58.8
99.04443	4.6
103.03886	0.9
103.05434	5.7
105.07025	4.2
109.02875	7.5
109.06506	1.1
115.03917	47.3
119.04912	2.8
127.03905	19.0
131.04918	15.2
133.04953	40.4
133.06461	1.2
134.05293	0.7
135.52156	0.7
137.05980	3.6
141.66257	0.7
145.02866	1.0
145.04944	25.6
147.04416	3.1
157.69456	0.6
159.08043	0.6
161.05968	4.5
163.03920	0.8
163.06000	13.8
163.07532	3.1
167.07066	1.0
167.68187	0.7
169.04883	1.1
175.06004	0.8
175.07452	1.0
177.05466	2.7
187.06013	0.8
187.07533	1.4
205.08611	0.7
255.11090	0.7
259.08084	6.6
277.08911	0.7
279.18018	3.5
295.10269	7.3
323.38577	0.7
325.11185	5.6
327.12323	1.0
478.11435	0.8
517.78687	0.7
590.28558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32006	0.7
55.05491	1.0
57.03428	1.5
57.06506	0.8
65.57491	0.6
67.05494	2.0
69.03394	4.6
71.04970	1.1
79.05476	1.4
81.03403	1.2
81.07034	3.4
83.04935	1.5
85.02882	5.5
85.06525	1.2
91.05457	1.9
92.08806	4.4
93.07002	3.8
95.04930	2.1
95.08553	3.5
97.02895	1.6
97.06493	1.1
105.07005	3.8
107.08565	1.9
109.10161	1.6
119.01884	0.9
119.08585	3.4
121.06467	0.8
121.10133	1.4
122.05976	1.8
123.08048	1.4
125.09602	1.0
131.33531	1.0
133.10094	1.2
135.11688	1.0
137.05937	3.8
137.09552	1.3
140.07048	1.0
145.02788	1.9
145.10132	1.3
147.04381	1.2
147.07944	1.1
147.11731	0.8
148.07536	1.0
149.05946	1.3
149.09615	1.4
153.06516	0.9
159.11530	0.8
161.02921	1.6
165.32237	0.9
167.06926	2.0
176.51538	0.8
177.05396	1.8
185.10681	1.2
203.24226	0.9
221.05002	1.0
229.20251	0.9
249.10931	1.0
251.11800	0.9
285.12335	0.9
287.13528	2.9
303.75461	1.0
313.11633	3.4
385.18558	3.4
479.87048	0.9
545.26990	3.4
547.23303	1.5
588.41223	1.4
589.22241	100.0
589.38940	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	589.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15515	3.3
54.81463	4.4
55.05508	6.6
56.09872	3.5
66.04633	3.1
67.05482	24.5
69.07049	28.1
76.81445	3.7
79.05455	8.6
81.07040	36.3
83.08627	4.5
91.05428	16.1
91.86633	3.8
92.08828	13.6
93.07023	29.5
95.04935	7.0
95.08580	61.5
105.06987	28.6
107.04939	94.5
107.08572	50.9
109.10155	38.7
109.59370	3.8
116.66560	3.5
117.06970	7.2
119.08582	35.2
121.02834	86.9
121.06469	19.4
121.10109	35.9
123.04371	5.0
123.11656	14.3
129.06934	5.0
131.08499	18.1
133.06458	7.0
133.10112	27.9
135.08086	6.6
135.11652	29.0
142.01443	4.0
143.08499	6.4
145.06445	5.0
145.10089	14.3
147.07990	5.4
147.11681	8.6
149.05954	7.3
149.13234	24.9
157.06496	7.1
157.10114	14.0
159.08020	18.0
159.11604	5.9
161.09566	4.6
161.13193	9.2
163.14732	5.7
165.07036	4.8
169.10146	7.7
171.08003	8.3
171.11664	4.9
173.09566	6.8
173.13177	5.0
175.14737	6.0
177.16313	7.0
183.08028	5.7
183.11571	5.0
185.09619	18.1
191.08661	3.5
191.17917	6.7
193.10020	6.8
195.08035	6.2
197.09563	15.2
201.16412	4.6
203.17900	8.3
207.08075	4.6
209.09579	45.1
211.11162	6.3
213.16318	9.1
221.09590	100.0
223.11172	8.9
225.09067	21.3
225.16299	4.3
232.08841	6.8
233.09535	6.4
235.11244	13.9
239.17938	7.0
247.11143	30.6
249.12648	6.0
251.10559	16.7
275.14099	5.0
293.18817	6.0
305.18942	14.9
307.20520	5.0
317.18961	36.9
319.20441	4.5
321.18433	15.9
325.21631	7.5
371.23538	14.3
417.24234	8.3
431.25635	4.1
507.35855	5.4
525.37494	5.8
543.38153	17.9
561.39203	5.0
571.37219	18.3
589.38776	58.7
603.49817	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	588.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98966	0.2
54.18792	0.2
54.82010	0.2
55.05507	0.5
56.05027	1.6
57.03413	0.3
57.05807	0.3
59.04977	0.2
61.23923	0.2
66.59332	0.2
67.05487	0.4
69.03410	1.2
69.07059	7.7
70.06586	0.3
71.05009	0.3
74.06056	3.6
75.21090	0.3
75.79755	0.2
79.05482	0.5
81.07063	0.9
83.08643	0.3
84.04493	0.5
85.02889	1.5
86.09694	100.0
87.04452	0.2
89.03904	0.3
91.05479	1.1
92.08665	0.3
93.07027	0.6
95.04961	0.5
95.08591	1.2
95.74274	0.2
97.02866	0.6
97.06508	0.4
97.07613	0.3
98.06044	0.6
99.04460	0.3
103.05483	0.4
105.07011	1.4
107.04958	0.6
107.08600	1.4
109.06533	0.3
109.10173	0.5
111.08000	0.3
116.07111	1.0
117.03411	0.3
119.08563	1.2
121.02854	0.4
121.10135	0.5
123.04436	0.3
126.05497	11.1
130.04994	0.5
131.08490	0.3
133.06487	0.4
135.08031	0.5
135.11700	0.3
137.05977	0.6
144.06532	1.0
145.02789	1.0
148.06068	2.7
149.06013	0.3
149.13222	0.3
151.07510	0.4
153.06554	2.5
157.13350	3.7
161.05957	0.5
163.03836	0.3
165.09030	0.3
167.07072	1.1
169.09715	0.5
177.05470	2.6
185.12860	0.6
193.05013	0.4
193.08553	0.4
195.10190	1.1
197.09196	15.1
199.18060	1.4
207.06557	0.3
215.10284	2.7
227.17531	1.1
238.15514	0.4
241.21614	0.4
259.22763	0.3
261.14395	4.9
282.17780	0.3
300.19131	7.3
317.13702	0.4
328.18607	22.4
441.26770	2.9
588.13373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
55.30801	1.9
55.32813	2.2
55.42330	1.9
55.72184	1.9
67.05482	4.8
69.07044	17.0
73.45084	2.3
73.65136	2.5
76.56573	2.3
79.05473	5.3
81.07044	23.8
83.08607	3.3
86.09684	10.2
89.53955	2.7
91.05476	6.0
92.09234	2.6
93.07018	24.5
95.08579	42.2
97.06524	3.2
105.07032	18.1
107.08580	44.0
109.10146	27.0
117.07067	3.5
119.08548	36.6
121.10101	28.6
123.11686	15.6
124.99989	12.0
131.08562	10.9
133.10094	20.3
135.11685	26.9
143.01015	2.5
145.10072	22.0
147.04372	4.7
147.11700	16.5
149.02287	2.4
149.13232	13.3
149.64374	2.8
153.09114	3.6
157.10022	3.3
159.11673	21.0
161.13243	17.1
163.14754	29.6
169.10074	3.0
171.11649	16.7
173.13263	20.6
175.14861	6.4
177.16368	4.6
184.07309	20.2
185.13251	6.4
187.14763	6.4
189.16397	11.3
196.00050	2.9
199.14758	6.0
201.16362	11.2
203.17958	4.4
215.17871	30.4
229.19504	15.0
239.17879	3.4
241.19461	6.3
243.20996	4.0
255.21211	9.5
261.18454	17.2
275.20029	6.0
287.19992	10.2
295.23608	2.9
313.21652	2.9
320.45544	3.0
350.24042	3.0
391.33389	3.8
409.34747	21.1
437.34015	33.5
455.35117	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	588.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
53.03935	0.7
55.01862	2.3
55.05272	0.6
55.05504	11.5
57.03425	25.2
58.18393	0.6
58.61507	0.6
59.04996	4.4
61.02909	8.2
67.05476	2.8
69.03412	80.9
69.07056	5.1
71.01306	0.5
71.04964	0.8
72.08112	0.6
73.02907	4.4
75.04447	4.1
78.62958	0.6
79.05500	0.7
81.03407	8.0
81.07042	2.8
83.04961	1.2
83.08632	0.8
85.02886	100.0
87.04446	46.1
87.04981	1.5
91.03935	4.7
91.05453	1.1
92.08982	2.3
93.07014	1.3
95.04927	1.0
95.08580	3.3
97.02866	68.8
97.06457	0.7
97.10142	19.7
99.04429	6.0
99.10650	0.5
101.02328	0.8
103.03924	2.2
105.07013	1.1
107.08555	2.4
109.02847	7.3
109.06485	1.2
109.10106	0.9
111.04431	1.3
111.08089	0.7
115.03905	57.8
115.11184	13.2
119.08550	0.8
121.10079	1.3
123.04385	1.2
125.09646	0.9
125.64202	0.5
127.03881	18.8
131.04878	0.6
133.04939	48.3
133.10071	1.0
137.05949	6.9
139.03931	0.9
139.11166	0.9
145.04935	25.5
145.10045	0.7
147.04367	2.4
150.07539	0.8
163.05957	8.5
167.06975	2.6
169.04950	2.1
181.04988	0.7
190.18861	0.6
193.08598	0.7
193.12206	1.2
211.13312	2.1
223.13324	1.0
229.14243	2.7
241.06924	1.1
247.15359	3.5
259.08060	6.7
274.66727	0.6
277.09033	1.2
277.16348	3.2
277.33264	0.7
289.09006	0.8
295.10120	8.3
314.34982	0.8
325.11215	8.7
375.27307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41119	1.1
51.27651	1.1
52.35880	1.1
55.05498	5.3
57.07067	53.9
69.07047	2.6
71.08610	31.1
73.06549	11.3
73.89709	1.2
75.81230	1.1
81.07047	1.4
83.08625	2.0
85.10166	21.1
87.04458	7.6
89.06010	100.0
95.08575	1.5
97.10166	2.2
99.11742	2.4
107.07062	2.0
110.45831	1.5
113.13271	1.1
117.09121	5.0
133.08577	33.3
155.18005	2.4
161.11703	1.5
177.11209	18.3
185.19653	1.2
199.20567	2.2
221.13892	2.9
238.24101	1.2
243.23122	9.7
287.25806	8.4
307.21475	1.2
415.25464	6.6
522.07129	1.3
569.42352	15.7
586.45166	7.6
614.46179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
53.03935	0.7
55.01862	2.3
55.05272	0.6
55.05504	11.5
57.03425	25.2
58.18393	0.6
58.61507	0.6
59.04996	4.4
61.02909	8.2
67.05476	2.8
69.03412	80.9
69.07056	5.1
71.01306	0.5
71.04964	0.8
72.08112	0.6
73.02907	4.4
75.04447	4.1
78.62958	0.6
79.05500	0.7
81.03407	8.0
81.07042	2.8
83.04961	1.2
83.08632	0.8
85.02886	100.0
87.04446	46.1
87.04981	1.5
91.03935	4.7
91.05453	1.1
92.08982	2.3
93.07014	1.3
95.04927	1.0
95.08580	3.3
97.02866	68.8
97.06457	0.7
97.10142	19.7
99.04429	6.0
99.10650	0.5
101.02328	0.8
103.03924	2.2
105.07013	1.1
107.08555	2.4
109.02847	7.3
109.06485	1.2
109.10106	0.9
111.04431	1.3
111.08089	0.7
115.03905	57.8
115.11184	13.2
119.08550	0.8
121.10079	1.3
123.04385	1.2
125.09646	0.9
125.64202	0.5
127.03881	18.8
131.04878	0.6
133.04939	48.3
133.10071	1.0
137.05949	6.9
139.03931	0.9
139.11166	0.9
145.04935	25.5
145.10045	0.7
147.04367	2.4
150.07539	0.8
163.05957	8.5
167.06975	2.6
169.04950	2.1
181.04988	0.7
190.18861	0.6
193.08598	0.7
193.12206	1.2
211.13312	2.1
223.13324	1.0
229.14243	2.7
241.06924	1.1
247.15359	3.5
259.08060	6.7
274.66727	0.6
277.09033	1.2
277.16348	3.2
277.33264	0.7
289.09006	0.8
295.10120	8.3
314.34982	0.8
325.11215	8.7
375.27307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.1
55.05498	3.0
57.03432	1.0
60.10285	0.6
60.66430	0.6
67.05495	7.7
69.03407	7.9
69.07069	2.2
71.04965	1.4
72.37289	0.6
73.06371	0.8
79.05477	16.0
81.03395	1.6
81.07038	20.0
81.18429	0.7
83.04964	1.4
85.02892	11.4
85.06522	1.1
87.94574	0.6
91.03951	0.7
91.05462	21.6
92.09316	0.9
93.07021	15.8
95.04939	4.4
95.08587	12.2
97.02887	5.3
97.06511	3.4
99.04433	0.9
103.05476	1.1
105.07011	63.8
107.04935	2.9
107.08575	31.5
109.02874	1.4
109.06519	5.1
109.10133	3.1
111.08127	0.6
117.06997	11.9
119.04944	0.8
119.07707	1.5
119.08556	41.9
121.06507	5.7
121.10121	10.1
123.04408	0.9
123.08045	4.1
123.11697	1.0
127.03886	1.4
128.06192	1.3
129.06972	10.6
130.07750	1.3
131.04916	0.8
131.08543	32.1
133.06453	7.1
133.10107	33.9
135.08035	4.7
135.11687	4.6
137.05930	1.2
137.09596	1.3
141.06950	1.0
142.07759	5.7
143.08534	24.3
145.04951	0.9
145.06456	3.0
145.10104	57.8
147.04506	0.8
147.08038	17.5
147.11670	20.8
149.06001	1.7
149.09581	8.7
151.11147	4.7
155.08542	7.1
157.10109	22.7
158.07187	1.5
158.10912	0.9
159.08054	6.5
159.11635	10.9
160.08867	1.0
161.05991	1.0
161.09581	25.0
161.13231	3.2
163.07524	3.6
163.11145	19.7
165.09064	1.5
167.08527	1.4
169.10097	10.8
170.78450	0.7
171.08061	1.7
171.11662	9.5
173.09573	27.8
173.11055	1.0
173.13200	2.8
174.10297	0.9
175.07518	1.0
175.09618	1.6
175.11148	43.2
177.05463	0.7
177.09076	1.6
179.08514	1.1
179.10614	1.3
181.10226	5.5
181.12189	11.1
183.11668	8.4
185.09648	5.1
185.13199	5.3
187.07494	0.8
187.11125	8.9
189.09084	4.9
189.12703	20.2
191.10629	10.2
193.10120	3.2
193.12192	3.1
194.10931	1.2
195.11691	7.0
197.09557	1.5
197.13206	3.2
199.11163	3.0
201.12715	1.5
203.10609	6.8
203.14330	0.9
205.10274	1.0
205.12192	2.9
205.93240	0.7
206.11006	0.9
207.11697	3.7
207.13773	9.6
209.09621	1.0
209.13136	7.0
211.11101	2.9
211.14786	1.1
213.12720	3.1
215.10616	3.1
219.11626	1.6
221.11696	3.8
221.13434	1.3
223.14729	2.8
225.12741	1.6
227.14325	1.2
229.12187	1.0
231.11685	0.8
233.13274	1.7
235.11394	0.9
235.14709	2.7
237.12741	2.6
243.13863	1.2
247.14816	1.5
249.16318	5.4
251.14305	2.6
251.17900	13.6
255.13776	1.1
261.12512	1.1
269.15863	1.7
269.18872	15.0
275.17850	3.7
287.16751	1.3
287.20007	7.5
289.19415	3.9
291.20929	4.1
293.18927	5.1
299.17896	1.2
307.20419	6.9
309.18942	0.9
309.22098	4.2
311.19751	1.4
317.18933	12.0
325.21542	3.7
335.19965	35.4
353.21057	76.7
371.22095	67.4
389.23141	100.0
403.99088	0.7
407.24237	30.0
407.29663	1.2
416.40643	0.7
425.25177	6.0
536.13159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
57.03415	2.0
59.04959	0.3
59.17035	0.2
61.61172	0.3
67.05482	0.3
67.98417	0.2
69.03400	0.6
71.04980	0.4
73.02885	0.5
75.04468	3.4
78.04679	2.0
79.05470	3.6
81.03429	0.3
81.07027	1.1
85.02865	1.3
88.01524	0.2
91.05457	1.9
92.09016	0.5
93.07004	1.2
95.04948	1.3
95.08582	0.7
97.02864	0.3
97.06494	0.3
102.15216	0.3
103.05436	4.1
105.07011	5.1
106.04137	1.2
107.04938	7.0
107.08567	0.5
109.06492	0.5
109.10125	1.2
111.04414	0.4
114.40140	0.3
115.05436	1.5
116.68565	0.3
117.06998	1.6
119.08574	0.5
121.06517	2.1
121.10103	0.6
123.04408	4.6
123.08015	0.4
124.05199	2.7
125.05978	0.5
128.06253	0.3
129.06943	1.2
131.04887	6.3
131.08519	1.5
133.06465	6.9
134.03584	0.3
135.08041	1.6
135.11662	0.3
137.05962	2.3
141.06969	0.5
141.85983	0.3
143.04965	0.4
143.05994	0.4
143.08505	0.6
144.05682	0.6
145.06485	2.4
145.10100	0.4
147.04361	1.1
147.07977	0.3
149.05966	0.4
151.03845	0.6
151.07483	2.8
152.04639	2.0
153.05399	0.4
157.06439	0.4
158.07178	0.4
159.07957	1.2
161.05951	7.2
163.07518	9.3
165.08972	0.3
167.07001	100.0
173.05948	1.3
173.09578	1.3
175.07509	2.4
177.09088	1.6
179.06979	1.9
181.08546	4.8
187.07495	2.7
189.09102	0.5
192.07764	0.3
193.08569	11.5
201.09068	1.8
203.08655	0.4
205.08556	1.4
207.10172	0.6
217.08423	0.5
219.10153	2.2
231.08160	0.3
233.11690	1.6
237.11139	1.9
251.12753	0.5
265.08365	0.3
291.09988	0.5
295.13211	0.4
323.12393	0.4
337.05292	0.3
355.15240	6.0
387.17926	7.5
405.18964	19.9
423.19940	0.6
457.95914	0.3
504.93900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11953	0.8
53.03934	2.0
53.66055	0.7
55.01848	5.1
55.05495	3.3
57.03431	1.9
61.02898	1.4
65.03922	4.5
67.05482	4.7
69.03413	8.7
69.07060	8.2
70.06560	0.8
71.04958	3.2
73.02876	0.8
75.04444	5.2
78.04698	1.5
79.05473	9.9
81.03405	6.0
81.07040	7.0
83.04951	3.4
85.02888	23.1
85.06500	3.0
87.04442	3.7
88.67287	0.7
89.03929	1.6
89.05985	1.4
91.05458	25.6
92.08736	0.8
93.03384	17.6
93.06483	1.2
93.07021	20.3
95.04951	12.0
95.08566	5.5
97.02866	9.1
97.06512	7.7
99.04440	3.8
103.05444	12.7
105.04508	0.9
105.06371	1.0
105.07014	15.1
106.04156	53.7
107.04922	3.7
107.08578	9.8
109.02849	6.1
109.06497	7.0
109.10167	1.1
111.04398	1.7
111.08060	3.2
115.03896	3.2
115.05446	1.6
117.03358	1.4
117.06979	1.4
118.04135	1.1
119.04933	6.4
119.08540	4.5
120.83553	0.9
121.06480	65.4
121.10112	8.6
122.07249	1.2
123.04374	1.5
123.08014	4.2
124.05215	1.8
125.05965	16.2
127.03877	4.6
131.04872	4.1
131.08585	1.1
133.02832	7.2
133.06451	9.3
133.10167	0.9
134.03622	9.2
135.04352	3.4
135.08018	3.4
135.11627	3.3
137.05959	13.8
137.09581	0.9
138.06747	2.0
139.07538	6.0
139.11182	0.9
145.02759	2.0
145.04849	1.5
145.10089	1.8
147.04373	6.7
147.11731	0.9
148.05128	3.9
149.05952	78.5
149.09572	3.2
151.03883	5.2
151.07513	6.5
153.05426	5.1
153.09093	23.1
159.07968	1.1
161.05952	13.8
163.03870	1.5
163.07494	5.0
163.11130	12.3
165.05421	3.2
165.36444	0.8
166.06198	4.0
167.07051	3.7
167.10602	1.6
169.08557	9.0
175.07457	1.0
177.05443	35.9
177.09084	0.8
179.06973	1.7
181.08559	30.3
181.12198	3.8
191.06999	16.1
191.10635	4.0
193.08572	7.0
197.15137	0.8
209.08051	100.0
221.15340	1.0
227.12704	12.4
234.09941	0.9
239.16302	1.6
257.17334	9.2
274.10583	1.0
275.18393	5.4
277.07813	1.0
353.16144	1.1
515.21277	2.0
600.82617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60830	0.7
53.03928	3.6
55.01862	3.5
57.03418	0.9
59.04983	5.6
60.30851	0.8
61.02919	1.7
64.25555	0.8
65.03912	1.1
67.05476	1.1
67.96925	0.7
69.03413	7.4
71.04971	1.1
78.04687	1.2
79.05461	6.1
81.03384	2.2
81.07053	2.9
83.04945	1.2
84.17822	0.8
85.02889	16.0
87.04459	5.3
91.05462	14.2
92.09144	2.2
93.03376	1.8
93.07020	4.1
94.04149	1.1
95.04949	4.1
95.14643	1.0
97.02863	10.8
97.06496	1.5
103.05439	26.1
105.03355	4.1
105.05497	1.5
105.07008	11.1
106.04133	9.2
107.04935	14.0
107.08571	1.5
109.02846	2.3
109.06504	5.0
114.04777	0.8
115.05445	4.5
117.07007	1.6
118.04110	1.2
119.04904	13.6
119.08558	1.8
121.06471	11.7
121.10082	1.2
122.03597	6.7
123.04423	4.2
123.08015	1.8
124.05142	1.1
125.05970	4.1
125.57943	0.8
127.03870	5.3
128.06133	1.2
129.06979	8.1
131.04893	50.3
131.05887	2.0
131.08562	6.1
133.06436	8.0
133.10089	1.3
134.03615	1.1
135.08037	1.2
137.05943	100.0
141.06912	1.3
143.04901	1.3
144.05635	3.5
145.04938	1.8
145.06447	5.7
147.04388	4.3
147.08057	1.2
148.05298	1.0
149.05960	17.2
151.03908	1.6
151.06410	0.9
151.07501	7.6
153.09093	4.1
156.05669	4.5
157.06497	6.5
159.07957	9.6
160.05168	3.7
161.05936	21.1
162.06778	1.9
163.07492	21.3
163.08727	1.3
165.05470	1.9
167.06990	39.3
172.05110	3.2
173.05952	4.9
175.07492	17.5
177.05414	9.3
179.06927	4.1
181.06366	1.1
181.08543	5.3
183.06470	1.1
185.05928	1.1
187.07495	19.0
189.09109	4.1
190.06274	5.6
191.07008	4.8
192.07806	1.2
193.04938	1.9
193.08540	2.1
197.08125	1.0
202.06274	1.3
202.65265	1.0
205.08531	13.1
205.10114	1.0
209.08064	22.1
215.07005	1.2
217.06604	1.9
217.08553	24.4
218.07172	1.2
219.08369	2.2
219.10254	1.7
220.53412	0.9
221.09654	1.2
231.08125	1.6
231.10242	1.1
233.09547	1.6
234.06784	1.4
235.07512	1.2
235.09592	7.1
241.08452	1.4
247.09700	4.7
249.09099	3.5
252.07587	1.1
261.09006	5.0
263.06937	1.0
272.38812	1.0
273.11176	1.1
277.08615	4.1
278.09348	1.6
279.09937	0.9
285.07477	1.4
285.11194	4.9
293.11829	1.1
294.08893	1.1
300.09866	4.0
301.10803	1.0
307.09521	1.2
309.11172	4.3
313.10635	1.7
321.11185	4.0
326.11398	2.1
327.12283	1.2
341.13730	10.5
353.13641	11.1
355.15494	2.1
359.33243	0.9
371.14706	20.8
565.52863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70001	1.3
55.01841	1.8
55.05504	36.3
57.03436	2.1
57.07052	7.1
60.98336	1.6
67.05140	2.5
67.05486	64.1
69.03419	1.8
69.07046	40.3
71.04968	4.2
72.71804	1.6
72.87860	1.5
74.09047	1.7
75.79470	1.8
76.04088	1.5
79.05467	20.9
81.07034	100.0
83.04926	2.0
83.08588	22.2
85.06521	6.6
91.05457	12.8
93.07025	37.9
95.08576	81.2
97.06490	8.0
97.10137	16.5
99.08067	3.3
105.06985	10.4
107.08571	22.8
109.10145	44.0
111.08049	4.1
111.11688	3.9
119.08536	16.4
121.10115	25.6
123.08019	3.2
123.11667	18.3
131.08516	7.2
133.10095	13.9
135.11662	16.1
137.09616	2.2
137.13231	3.9
139.11143	2.2
145.10039	2.9
147.11639	9.9
149.13214	3.8
151.11165	3.2
151.14809	2.0
155.54066	1.9
159.11650	3.3
161.13203	10.8
165.12685	3.4
173.13249	7.0
179.14253	3.0
187.14746	2.4
217.19420	4.2
218.63037	1.8
226.76360	2.0
235.20424	7.3
243.21124	6.8
243.26855	1.7
246.55759	1.6
253.21660	7.1
261.22000	14.2
270.78113	1.6
279.23132	49.8
297.24237	25.7
315.25256	3.9
468.27945	2.0
540.44208	1.9
567.46124	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	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01866	1.5
55.05507	0.8
57.03422	1.5
59.04990	5.8
61.02913	1.1
64.50842	0.6
67.05491	1.2
69.03416	9.0
69.07040	0.8
71.04987	5.6
74.78812	0.7
79.05471	4.3
81.03403	5.1
81.07039	7.2
83.04958	1.6
85.02890	18.2
85.06534	0.9
87.04455	5.6
91.03885	0.7
91.05461	11.0
92.08908	3.6
93.07027	3.0
94.04174	0.9
95.04923	1.7
95.08569	1.6
97.02867	11.8
97.06527	1.0
97.31822	0.8
99.04436	1.3
99.08071	0.8
103.05495	1.4
105.05482	1.2
105.07013	4.3
107.04935	7.3
107.08591	1.3
109.02905	3.2
109.06509	4.5
109.10158	1.0
111.04442	1.5
111.08068	0.9
113.87956	0.8
115.03920	1.3
115.05445	0.8
117.03333	0.7
117.06998	3.7
119.04924	13.0
119.08550	1.0
121.06501	1.1
122.03619	4.6
123.04375	1.5
125.05901	1.0
127.03904	4.8
127.07494	1.2
127.11164	4.1
128.06200	1.1
128.11432	0.7
129.06982	9.0
131.04906	4.0
131.08542	5.5
132.02382	0.8
133.04965	1.1
133.06497	1.0
133.10117	3.5
135.04420	1.5
137.05954	100.0
141.06989	1.7
143.04886	1.2
144.05693	3.9
145.04984	4.4
145.06451	7.0
145.10130	1.7
147.04370	18.1
149.05960	1.8
151.03951	2.7
151.07509	1.4
151.11191	3.7
153.05473	1.4
153.06895	1.1
156.05672	10.2
157.06453	5.2
158.07257	0.8
159.04413	1.6
159.08012	11.4
160.05240	1.5
161.05971	3.5
163.03867	5.1
163.07526	1.6
167.06996	28.7
167.19719	0.7
169.06465	2.9
172.05148	1.2
173.05913	7.6
174.06728	3.1
175.07533	12.5
175.08911	1.2
177.05450	4.1
179.07018	4.7
184.05164	1.2
186.06755	1.1
187.07523	16.1
189.09047	4.5
190.06291	4.6
193.04918	48.3
193.08629	1.4
195.06483	1.0
201.16385	0.9
202.06270	3.6
204.07787	1.7
205.08527	7.1
215.08711	0.9
217.08539	27.7
218.07146	1.6
219.08356	1.3
219.10205	6.1
221.09677	1.7
221.11777	0.9
225.09067	1.7
227.09044	0.9
229.08755	0.9
231.08170	2.9
233.09566	3.5
234.06737	3.0
235.07529	1.7
235.09651	4.8
237.18427	5.5
238.18829	2.8
239.12843	0.8
241.08545	3.3
244.09805	0.9
246.06750	1.0
247.07506	1.1
247.09602	10.0
249.09032	6.9
249.11229	12.7
250.09914	0.9
251.06935	0.9
252.07751	3.2
253.08621	1.1
259.07590	0.8
261.09067	6.4
263.07013	2.8
263.10446	0.9
265.10809	0.8
266.09390	1.6
269.08099	0.8
277.08505	6.1
278.09207	1.3
281.11771	1.4
283.09247	0.9
285.07498	3.6
285.11279	1.2
292.10303	0.9
293.07944	1.2
293.11520	3.6
293.14670	0.8
294.08890	1.2
295.09607	1.2
296.35727	0.8
300.09860	6.1
301.10620	3.1
306.08832	1.2
307.09662	1.0
309.11108	5.1
313.10538	1.1
321.11169	4.5
323.09238	1.1
326.11353	5.0
337.09134	1.6
338.11337	0.9
341.13733	9.4
353.13690	20.0
355.10233	1.7
355.15295	1.2
371.14822	29.7
503.18713	0.8
581.75293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52126	9.6
54.81894	12.2
55.05497	49.0
56.00732	7.6
57.07061	20.6
65.36392	7.8
67.05498	96.3
69.07066	40.1
69.91866	9.4
70.06586	13.1
79.05479	41.7
81.07037	100.0
83.08604	15.9
89.06033	43.5
91.05476	19.8
93.07048	58.8
94.57372	9.2
95.08583	99.7
97.10156	11.5
103.25539	10.8
105.07044	23.8
107.08558	43.4
109.10136	58.8
117.07005	10.7
119.08541	41.3
121.06573	8.7
121.10126	22.4
131.08553	16.6
133.10141	11.3
135.11665	19.4
139.11185	10.6
145.10146	14.1
164.25359	9.0
248.93442	11.5
251.13728	9.1
261.22174	13.7
264.97644	10.3
271.23349	10.1
279.23111	22.0
283.26065	10.2
291.01813	10.5
297.24567	11.0
311.29379	18.6
371.22522	15.8
513.42871	22.7
531.44116	47.3
542.35028	11.6
568.40662	12.3
584.55933	21.5
597.24213	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	585.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50460	1.1
54.70950	1.1
55.05505	2.7
57.03403	1.2
57.07079	1.3
57.74729	1.1
59.92468	1.0
67.05492	8.4
69.07056	5.2
79.05482	6.5
81.07043	12.8
91.05465	6.3
93.07037	6.9
95.08575	11.3
97.10098	1.6
97.82493	1.2
105.07034	6.6
107.08595	6.5
109.10128	5.2
119.08537	4.7
121.10120	2.6
125.80036	1.3
131.08583	1.4
133.10118	4.8
135.08104	1.4
135.11668	2.3
135.29991	1.1
143.08626	1.4
143.96611	1.4
145.10136	4.7
157.10274	1.4
169.10245	1.6
173.13240	1.4
251.12491	6.5
279.23212	2.9
374.20566	1.5
375.59406	1.3
510.21704	1.5
531.43811	2.6
585.37488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	30.8
57.03405	2.9
57.07062	5.5
64.33829	2.9
65.03926	3.6
67.05482	77.3
69.07048	40.1
77.16910	3.0
79.05472	34.3
81.07028	100.0
83.04976	4.5
83.08609	16.9
85.06502	2.7
91.05444	24.4
93.07005	38.7
95.04945	3.6
95.08575	82.8
97.06522	3.4
97.10152	7.3
100.56100	3.2
100.96033	3.0
105.06986	21.3
107.08566	32.7
109.10126	29.7
119.08549	15.6
121.10110	24.0
123.11707	13.5
131.08560	12.5
133.10100	14.0
135.11653	27.0
145.10063	4.8
147.11652	14.4
149.13145	5.7
159.11623	5.8
161.13255	12.8
162.17110	3.0
173.13167	3.6
215.43578	3.9
217.19571	3.4
223.55328	3.0
235.20557	5.0
250.56140	3.5
261.22058	13.5
279.23199	32.0
297.24191	5.3
495.42419	3.9
513.42877	18.0
531.43683	14.9
545.22607	3.4
549.44928	22.7
563.31567	3.4
567.46271	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.1
53.03937	1.6
55.01861	1.4
55.05500	15.9
57.03421	13.9
57.07062	13.1
59.04988	15.0
61.02906	1.3
64.76756	0.7
65.03915	1.5
67.05487	77.7
69.03408	42.5
69.07043	17.9
71.04970	34.2
71.08599	3.2
73.06537	1.0
75.04449	1.5
76.34644	0.9
79.05465	24.5
81.03374	1.8
81.07030	72.7
83.04944	5.6
83.08589	10.9
85.02885	23.7
85.06520	34.1
87.04443	22.6
88.97572	0.9
91.05447	6.0
92.09064	3.0
93.07011	28.0
95.04934	35.1
95.05515	1.9
95.08577	62.6
97.02863	20.1
97.06491	3.8
97.10149	10.2
99.04412	1.6
99.08080	1.7
101.05996	5.4
105.06975	8.0
107.08564	20.7
109.10130	27.0
111.04404	1.1
111.08047	3.5
111.11707	1.1
113.05980	100.0
115.03909	12.8
115.07550	3.5
117.06985	1.0
119.08551	3.5
121.10114	38.1
123.04435	1.3
123.11674	16.2
124.33995	1.0
125.06001	1.3
125.13222	1.0
127.03895	1.5
131.08528	5.2
133.04955	9.8
133.10089	5.0
135.11656	27.0
137.05948	1.4
137.13223	10.6
145.04938	1.7
145.08569	20.0
145.10103	4.5
147.11644	5.1
149.13232	13.8
151.14728	1.2
157.10135	1.4
159.11670	3.9
161.65869	0.9
163.14781	4.1
165.16368	1.1
167.06992	1.2
169.10046	1.1
173.13301	1.3
175.14767	16.8
177.16270	1.6
181.10023	1.0
191.18105	0.9
198.09160	0.9
199.62756	0.8
201.09253	0.9
201.16296	3.3
219.21017	18.8
227.17920	1.1
231.71596	0.9
237.21979	6.6
249.77704	1.1
255.23114	55.8
273.24133	20.9
284.68649	0.9
351.19556	4.1
366.92535	1.0
369.20453	7.0
369.80786	1.0
387.21573	10.5
405.22537	5.3
423.23657	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	584.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
54.56533	0.4
55.01851	2.5
55.05495	2.5
57.03434	3.3
57.07056	2.7
59.04990	5.0
65.03922	0.8
66.74767	0.4
67.05135	0.9
67.05489	18.9
69.03413	12.1
69.07050	4.8
71.04977	8.0
77.59086	0.4
79.05040	0.8
79.05470	12.0
81.03414	0.8
81.07033	13.3
82.07319	0.5
83.04980	3.3
83.08592	1.9
84.14760	0.4
85.02863	3.2
85.06521	9.7
87.04434	4.5
88.22890	0.4
91.05459	13.2
92.08899	0.7
92.64333	0.5
93.06473	0.8
93.07018	13.6
95.04945	19.8
95.08582	10.8
97.02870	2.5
97.06507	4.6
97.10146	0.8
99.04430	0.6
99.08118	0.5
101.05982	0.7
103.05431	0.6
105.07005	24.2
107.04953	2.3
107.08574	34.8
109.02838	1.0
109.06492	5.5
109.10143	7.5
111.04408	1.9
111.08070	1.9
113.05984	34.7
115.03882	0.8
115.05422	1.1
116.06197	0.4
117.07001	8.6
119.04915	1.6
119.08553	12.5
121.02838	0.7
121.06497	4.8
121.10120	13.6
123.08030	6.1
123.11718	3.1
125.05952	0.6
125.09631	0.8
128.06183	3.3
129.06999	5.4
131.04919	0.9
131.08539	43.2
133.06465	3.9
133.10103	9.5
135.04344	0.6
135.08052	5.7
135.11655	5.2
137.05954	1.0
137.09601	1.8
139.03870	5.9
141.06969	3.0
142.07828	1.0
143.08539	13.1
144.05632	0.6
145.06488	5.9
145.08649	4.7
145.10089	16.5
147.04379	1.0
147.08051	5.8
147.11642	6.4
149.05945	2.3
149.09599	8.9
149.13260	1.9
151.07530	1.1
151.11198	0.5
153.06912	0.4
155.08536	5.5
157.06477	0.9
157.10107	7.8
159.06726	0.9
159.08032	27.4
159.11655	9.4
161.05968	4.7
161.09592	6.8
161.13231	2.6
163.07481	4.4
163.11194	4.5
165.05489	0.5
165.09090	0.7
165.12706	3.2
167.07011	2.0
167.08475	0.9
169.06444	0.8
169.10077	4.4
171.07965	3.3
171.11697	3.1
173.09599	7.4
173.13211	5.1
175.07468	5.0
175.11208	3.3
175.14764	0.9
177.05383	0.7
177.09091	8.9
177.12720	2.1
177.16313	1.7
179.07022	2.2
179.08493	0.7
181.10129	2.2
181.12097	0.6
183.08051	3.0
183.11714	2.0
185.09570	2.9
185.13280	1.7
187.03825	0.6
187.07513	15.9
187.11162	2.5
189.09061	5.5
189.12788	2.6
191.10657	0.5
191.14203	3.6
193.08562	0.8
193.10117	1.0
195.08167	0.7
195.11691	1.7
197.09607	2.6
197.13286	0.9
199.07478	0.8
199.11360	1.3
199.14833	3.0
201.09071	7.0
201.16341	6.5
203.06941	0.7
203.10620	2.7
203.17967	0.6
205.08548	32.7
205.12111	0.8
207.11771	0.8
207.13683	0.7
209.09634	0.9
209.13234	1.8
209.15384	3.3
211.07489	0.7
211.11195	0.9
211.14902	0.9
213.08972	0.8
215.10593	1.0
217.08524	0.7
217.15846	1.0
219.10005	0.6
219.11887	0.6
219.17345	3.8
221.13220	0.8
223.11319	0.8
225.09074	2.4
229.08539	5.5
229.15826	0.9
231.11807	0.7
231.17513	0.5
235.14809	0.9
237.12843	0.9
237.16281	0.6
237.18399	4.1
239.10677	2.7
241.12207	0.6
243.10132	2.4
247.09595	0.7
247.16859	1.0
255.19519	9.5
257.11639	4.1
263.14261	0.5
263.17761	0.5
273.20480	0.6
277.19516	0.6
279.17603	0.8
283.16916	0.7
287.17914	0.8
297.18423	1.8
305.18875	3.9
307.17239	1.3
309.14841	0.9
315.19879	0.8
321.18503	0.7
323.19952	5.3
325.17917	3.8
327.15652	3.1
333.18393	15.4
341.20963	3.2
343.18930	3.4
351.19464	22.1
354.96692	0.5
361.20200	0.6
369.20526	64.9
387.16409	1.1
387.21579	56.6
405.22626	24.2
423.23676	100.0
541.62646	0.5
545.01093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.4
55.05504	13.3
57.03212	0.8
57.03426	12.9
57.07063	11.8
59.04988	13.5
65.03923	1.5
67.05489	69.0
69.03414	40.4
69.07058	15.0
71.04612	1.4
71.04977	33.8
71.08604	1.6
75.04444	1.5
79.05473	19.9
81.03371	2.4
81.07034	73.9
83.04955	4.7
83.08582	9.6
85.02891	19.3
85.06521	27.7
87.04441	17.6
91.05452	5.6
92.08949	1.9
93.07021	26.2
95.04944	38.6
95.08581	55.7
97.02862	20.7
97.06493	6.1
97.10136	8.6
101.05967	4.1
104.05296	1.8
105.07021	10.2
107.08584	15.2
109.06487	1.7
109.10149	23.9
113.05981	100.0
115.03879	10.9
115.07524	1.5
117.06989	1.3
119.08543	6.9
120.08077	10.0
121.06488	1.3
121.10119	33.1
123.11658	10.1
125.06083	0.9
127.07540	0.9
131.08505	4.1
133.04932	6.5
133.10100	5.3
133.47536	0.9
135.11653	28.5
137.13231	9.7
143.08481	1.5
145.08566	22.0
145.10158	2.3
147.11676	4.0
149.13248	12.3
151.14775	1.5
157.10129	1.6
159.11656	2.2
161.13261	1.1
162.94170	0.9
163.14781	5.3
169.10199	1.0
171.11642	1.7
173.13135	1.5
175.14787	14.8
177.16220	1.1
183.18895	1.0
183.60074	0.9
201.16348	1.8
219.21004	17.1
222.52597	0.9
237.22108	6.7
255.23103	54.2
273.24182	25.4
295.09933	1.2
323.20023	1.0
326.40823	0.9
351.19214	3.6
369.20355	6.8
387.21521	9.5
405.22574	4.1
423.23663	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	584.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66752	0.1
51.82739	0.1
54.81234	0.1
54.81761	0.1
55.05499	0.3
56.70339	0.1
57.03425	3.3
67.05473	0.6
68.48319	0.1
69.03398	0.5
69.07050	0.2
69.21151	0.1
69.60631	0.1
70.16631	0.1
71.04957	0.2
73.02894	1.3
75.04459	6.9
75.04884	0.2
76.53639	0.1
79.05481	0.2
81.07025	0.6
83.04974	0.3
85.02903	0.8
85.06535	0.2
87.04460	0.1
91.05453	1.9
92.08663	0.2
93.07008	0.2
95.04910	0.2
95.08579	0.5
97.02872	0.2
103.05425	0.2
105.07021	0.8
107.04926	1.3
107.08594	0.1
115.05398	1.5
116.06206	0.6
117.06989	1.1
119.04962	0.1
119.08563	0.2
121.06470	0.5
121.10131	0.2
121.39892	0.1
128.06192	2.3
129.06972	7.5
130.07745	0.1
131.04912	0.5
131.08539	10.1
132.05652	0.4
133.06470	1.6
133.10133	0.9
135.11665	0.1
137.05923	0.2
141.06972	3.0
142.07765	0.9
142.16911	0.1
143.04883	0.3
143.08536	1.7
144.05673	3.4
144.06792	0.1
145.06453	3.0
145.10121	0.2
146.07249	1.4
147.04382	0.7
147.08031	0.5
153.05817	0.1
153.06989	1.3
155.06026	0.6
156.05655	0.5
157.06458	4.7
157.15672	0.1
158.07220	1.0
159.08015	17.9
160.05173	0.2
160.08736	0.1
161.05943	1.2
161.09573	4.8
161.10846	0.2
167.07021	1.4
169.06409	0.7
169.07648	1.6
170.07214	3.5
171.04553	0.1
171.06677	0.2
171.08006	3.5
171.09352	0.2
172.05135	1.4
173.05914	1.8
173.09595	0.4
174.06779	0.9
175.07497	1.6
177.05388	0.2
178.06126	0.5
181.06377	0.2
181.08716	0.3
184.05235	0.1
185.05946	0.4
186.06726	0.7
187.07501	12.5
188.08289	0.8
189.05489	1.0
189.09061	5.3
190.06171	0.7
191.06998	0.8
192.07784	0.4
193.08611	0.7
198.06693	1.3
199.07504	1.8
201.05464	0.6
201.09048	0.4
202.06229	0.1
203.06996	2.2
203.10681	0.1
204.07777	7.9
205.08540	1.2
206.09338	0.6
207.10164	0.4
216.07758	2.5
217.08449	0.8
218.09375	0.9
219.10104	3.2
221.08049	0.7
221.11703	2.2
231.10109	4.5
232.10504	0.1
233.11668	1.5
234.08841	0.5
237.03421	0.1
237.11166	0.6
249.11157	100.0
250.11597	1.0
251.12737	1.2
263.12784	0.1
267.12222	2.6
423.23492	0.1
534.38245	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	584.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47060	0.2
54.77390	0.2
54.81847	0.2
55.86134	0.2
57.03427	3.0
67.05489	0.2
69.03400	0.3
71.04968	0.3
73.02892	1.0
75.04051	0.3
75.04459	5.6
79.05449	0.2
81.03402	0.2
81.07019	0.3
85.02878	0.7
91.05461	1.7
95.08572	0.3
97.02880	0.2
98.63006	0.2
103.05447	0.3
105.07002	0.8
105.22786	0.2
107.04916	1.2
107.08552	0.2
115.05437	0.9
116.06215	0.3
117.06963	1.7
121.10159	0.2
128.06198	2.3
129.06976	6.4
131.08536	7.0
132.05682	0.2
133.06450	1.3
133.10072	1.0
133.35394	0.2
137.05968	0.2
141.06961	2.3
142.07768	0.4
143.04852	0.4
143.08537	1.6
144.05672	2.5
145.06499	2.7
146.07237	0.8
147.04375	0.4
152.06233	0.2
153.05429	0.3
153.06978	0.8
156.05695	0.7
157.06447	4.0
158.07236	1.2
159.04387	0.3
159.08018	15.0
160.05153	0.3
161.05914	0.4
161.09557	3.6
163.05994	0.2
167.06952	1.6
169.06403	0.8
169.07594	1.1
170.07228	2.5
171.08020	3.7
172.05161	1.3
173.05974	2.4
173.09579	0.7
174.06711	1.0
175.07539	1.3
177.05399	0.2
178.06258	0.3
181.06386	0.2
181.08636	0.3
184.05206	0.3
186.06761	0.4
187.07504	10.3
188.08214	0.4
189.05574	0.6
189.09068	4.9
190.06210	0.9
191.07001	1.3
192.07718	0.4
193.08586	0.4
198.06746	1.0
199.07524	2.1
200.08301	0.3
201.05484	0.2
201.09105	0.9
203.07072	2.2
204.07780	7.4
205.08484	1.5
206.09370	0.8
216.07787	2.3
217.08517	1.0
218.09418	0.7
219.10094	3.1
221.08086	0.5
221.11668	2.0
231.10123	3.7
233.11696	1.9
234.08720	0.4
237.11157	0.4
249.11157	100.0
250.11467	0.8
251.12729	1.8
267.12167	5.3
267.76831	0.2
461.73758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
53.45702	2.6
55.05503	28.7
57.07045	14.7
58.37466	3.0
59.11571	2.8
64.33203	3.0
67.05486	32.1
69.03408	7.5
69.07063	26.2
79.05474	46.0
81.07035	50.7
83.04951	4.7
83.08584	12.4
85.06523	14.4
85.41071	2.9
91.05453	69.2
93.07010	80.3
95.04932	19.3
95.08559	41.3
97.06508	4.5
103.05437	3.4
105.07005	100.0
107.08568	60.0
109.06511	21.7
109.10148	29.8
115.05396	7.1
117.06999	31.7
119.08550	98.5
121.06456	11.2
121.10114	59.5
123.08048	25.3
128.06178	19.6
128.07056	3.3
129.06978	28.7
130.07753	13.4
131.08540	47.1
133.10129	47.3
135.07994	13.7
135.11644	16.8
137.09590	17.0
141.06949	14.7
142.07727	35.2
143.08540	58.7
144.09351	3.7
145.10094	69.6
147.07991	12.2
147.11656	21.4
149.09615	6.6
151.07503	14.4
152.29132	2.9
154.07730	4.4
155.08549	29.4
156.09296	32.2
157.10094	66.1
158.10890	15.8
159.07990	4.2
159.11662	32.5
161.09479	5.9
161.13194	12.8
163.11111	5.7
165.06972	7.5
165.09091	14.9
166.07695	4.0
167.08516	12.9
167.10608	22.0
168.09332	12.1
169.10059	34.5
170.10864	6.9
171.11621	40.2
173.13200	25.2
175.11081	4.1
175.14799	12.5
178.07793	3.1
179.08478	27.8
180.09288	11.1
181.10080	24.2
181.12250	6.6
182.10886	17.9
183.11671	36.0
184.12309	7.3
185.13213	22.9
187.11073	4.8
187.14690	11.8
189.12624	5.1
191.14268	3.7
192.09361	4.0
193.10091	30.2
194.10815	18.1
195.11652	32.5
196.12468	6.6
197.13216	25.3
199.14749	17.1
203.14236	4.0
205.10100	5.8
206.10884	16.4
207.11623	31.4
207.13564	8.4
208.12427	15.2
209.13206	39.2
210.13921	3.5
211.14806	16.9
213.16241	4.1
215.14282	5.9
216.09290	3.9
217.09999	3.7
217.15822	4.5
218.10947	3.2
219.11661	18.8
220.12404	6.7
221.13165	31.9
221.15324	19.7
223.14766	23.3
225.16319	6.0
231.11646	5.0
232.12427	6.6
233.13165	17.5
233.15279	5.8
234.14053	5.5
235.14664	16.4
236.15508	5.7
237.16422	6.1
239.17815	3.6
243.11398	3.9
245.13216	12.6
246.13979	5.0
247.14806	15.2
248.15492	3.3
249.16270	6.6
251.17856	4.7
257.18900	6.7
259.14786	4.8
261.16376	6.6
263.17834	5.7
265.19418	7.0
269.18948	3.4
273.16202	6.1
275.17844	13.0
276.18314	4.1
277.19257	3.5
283.20477	14.2
285.16025	4.8
287.17599	3.8
293.19089	3.9
295.20438	4.3
349.25156	5.2
565.40039	24.1
583.41406	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
54.05984	1.7
54.09930	2.0
55.05491	13.4
57.07058	11.5
59.04988	3.4
67.05495	19.6
69.03410	11.7
69.07035	9.1
70.52126	1.7
75.69314	2.0
79.05086	2.3
79.05472	27.1
81.07039	27.2
83.04955	4.1
83.08623	2.7
85.06534	2.6
89.06023	2.9
90.54178	1.9
91.05453	36.2
93.07026	45.0
95.04959	3.6
95.08585	24.0
97.06490	2.8
105.07010	57.3
107.08573	26.2
109.06493	10.9
109.10127	16.3
111.08078	3.9
116.06171	1.9
117.06995	13.3
119.08549	54.8
121.06477	4.8
121.10133	28.1
123.08028	20.8
128.06155	2.7
129.06970	8.7
129.14508	1.8
130.07748	7.7
131.08524	24.6
131.44969	2.1
133.10106	32.0
135.08051	16.5
135.11678	4.7
137.09593	30.3
141.06973	2.5
142.07764	12.8
143.08528	25.9
144.09283	2.7
145.10086	35.8
147.08015	39.7
147.11667	8.4
151.07524	12.1
155.08478	6.9
156.09319	11.2
157.10072	28.3
158.10912	3.6
159.11679	16.6
161.09555	3.5
161.13202	8.1
163.11159	7.2
165.09070	53.5
167.08469	3.2
168.09251	2.3
169.10088	10.0
170.10875	4.7
171.11649	14.5
173.09651	2.2
173.13242	4.5
175.11063	3.1
175.14668	2.1
181.10095	11.0
182.10869	2.9
183.11647	11.5
185.13268	7.5
187.14757	3.2
189.12775	2.7
195.11671	8.9
197.13187	4.5
198.10049	2.1
203.14313	17.6
206.10806	2.2
207.13686	3.2
209.13191	3.7
211.14832	2.9
214.13574	1.9
219.13910	2.2
221.15315	100.0
235.15044	2.2
245.12950	2.4
265.19315	2.2
289.63596	2.3
473.34103	7.3
491.34998	3.0
503.34781	4.1
565.40131	4.4
583.41248	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.3
53.03938	3.1
55.05497	26.1
57.07065	10.7
59.04978	2.8
67.05486	27.1
68.32894	2.1
69.03419	4.5
69.07053	19.4
76.29811	2.2
76.46453	2.2
79.05474	30.2
79.62695	2.7
81.07037	36.8
81.58353	2.4
83.04969	9.7
83.08612	10.3
85.06519	3.3
85.31620	2.2
91.05464	51.9
93.07017	60.0
93.07559	3.3
95.04935	14.4
95.08591	26.8
97.06525	3.4
103.05421	2.8
105.07011	100.0
107.08571	48.9
107.26797	2.4
109.06519	12.6
109.10150	19.1
111.08035	2.2
115.05437	5.2
117.06990	33.3
119.08558	95.5
121.10131	46.2
123.08061	14.0
128.06197	20.4
129.06967	22.9
130.07722	10.7
131.08543	38.7
133.10106	40.6
135.08029	5.3
135.11688	14.6
137.09590	9.8
141.06982	15.3
142.07773	31.7
143.08548	55.4
144.09348	11.8
145.10101	56.7
147.08054	13.3
147.11676	15.8
149.09572	2.7
151.07600	4.3
153.06978	5.1
154.07755	3.2
155.08536	33.0
156.09323	27.2
157.10118	52.5
158.10893	4.7
159.07988	3.7
159.11679	25.8
161.13228	3.7
163.11180	4.1
165.06961	12.3
165.09131	15.4
166.07724	3.4
167.08487	17.0
167.10715	4.6
168.09335	14.9
169.10091	33.8
170.10851	10.3
171.11678	32.3
173.09666	3.4
173.13222	22.4
175.14771	4.1
179.08516	26.8
180.09332	10.5
181.10057	22.1
181.12276	5.3
182.10858	12.8
183.11700	24.5
184.12540	3.1
185.13231	16.7
187.14879	5.4
189.12758	3.0
191.14351	4.4
192.09373	3.7
193.10130	19.0
194.10838	21.1
195.11591	25.3
196.12413	5.5
197.13231	23.6
199.14844	16.7
204.09421	3.1
205.10158	5.4
206.10902	6.0
207.11623	26.2
208.12454	12.4
209.13275	28.4
211.11041	2.5
211.14752	11.0
213.16512	3.0
216.09250	2.9
217.10164	5.3
217.15930	9.8
218.10825	4.6
219.11676	10.5
220.12454	5.9
221.13202	19.7
221.15375	25.3
223.14783	16.7
225.16286	4.7
230.10854	2.9
231.11734	11.8
232.12488	5.5
233.13257	16.6
234.13866	4.4
235.14755	12.0
237.16325	5.7
239.17688	3.2
243.11636	6.0
245.13216	9.3
246.14003	4.2
247.14749	10.0
249.16318	5.7
257.18942	5.3
258.14078	3.9
259.14679	6.0
260.15619	5.6
261.16302	5.5
262.17120	3.4
263.17886	5.6
265.19522	4.2
272.15668	3.0
273.16412	4.0
275.17944	11.1
283.20532	12.7
289.19394	4.8
295.20905	2.7
319.83060	2.5
331.24060	3.0
349.25107	5.1
353.15179	2.7
434.53912	2.6
501.33377	5.5
565.40546	10.0
583.41449	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28857	2.2
55.05499	25.2
57.07059	14.4
57.13756	2.3
59.04993	3.4
67.05490	32.4
69.03416	6.1
69.07056	20.5
72.49770	3.0
72.50203	2.7
76.56381	3.3
77.88173	2.7
79.05475	35.3
81.03474	2.7
81.07040	42.4
83.04990	4.7
83.08607	7.2
85.06550	3.2
85.27299	2.7
85.53454	3.3
91.05466	66.8
92.09325	9.9
93.07028	63.2
95.04954	18.8
95.08575	41.7
97.06525	4.8
103.05429	3.7
105.07006	96.7
107.08583	54.0
109.06498	17.0
109.10152	18.9
109.66001	2.9
111.08031	3.6
117.06995	22.7
118.07737	3.6
119.08563	100.0
121.06442	6.7
121.10114	49.4
123.08057	20.1
123.11713	4.9
125.05944	3.0
128.06183	13.3
129.06978	27.8
130.07761	15.7
131.08549	42.3
133.10103	39.1
135.08032	16.2
135.11673	13.1
137.09602	13.5
139.32053	2.9
141.06941	10.7
142.07747	46.1
143.08530	60.8
144.09314	5.0
145.06477	3.7
145.10100	56.1
147.08023	20.6
147.11694	12.9
149.09589	6.6
151.07533	14.6
153.07001	5.0
155.08536	24.0
156.09285	29.2
157.10095	68.3
158.10866	12.6
159.08075	3.6
159.11667	27.0
159.87648	3.2
161.09642	3.9
161.13245	6.0
165.06964	13.1
165.09055	35.3
167.08553	15.1
168.09273	6.5
169.10098	47.7
170.10905	17.1
171.11649	33.1
173.13217	18.0
179.08478	25.5
180.09305	12.6
181.10086	28.8
182.10901	14.4
183.11667	34.9
184.12468	4.6
185.13255	19.2
189.12798	4.2
191.14339	4.6
192.09320	5.1
193.10117	19.3
194.10933	22.5
195.11644	29.9
196.12434	15.1
197.13240	17.8
199.14839	11.3
203.14235	11.2
205.10240	5.3
206.10867	7.6
207.11658	29.8
208.12436	6.1
209.13248	29.4
211.14745	6.3
217.10182	3.5
217.15865	5.5
218.10843	4.4
219.11615	14.9
220.12500	6.9
221.13219	26.1
221.15385	30.9
222.14044	4.4
223.14847	16.8
231.11655	6.8
232.12418	5.5
233.13222	19.5
233.15268	4.1
234.14014	3.6
235.14748	11.8
237.16423	7.5
243.11604	4.0
245.13214	4.9
246.14038	4.4
247.14664	5.3
249.16304	5.0
259.14841	4.6
260.15616	4.1
261.16379	6.0
265.19565	3.7
275.17889	12.1
283.20569	7.4
299.20349	4.2
349.24988	4.6
472.13721	4.3
501.33014	6.0
565.40051	16.0
583.41467	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.05497	13.8
55.12007	3.3
57.07065	15.8
59.04998	5.5
60.56496	2.6
67.05497	23.7
69.03403	6.1
69.07057	15.2
71.70544	2.8
75.91486	3.4
79.05462	28.9
81.07051	28.7
84.13375	2.8
91.05456	41.0
93.07018	46.7
95.04946	13.8
95.08591	38.4
105.06358	5.4
105.07016	78.9
107.08578	28.7
109.06506	7.1
109.10126	21.3
111.08051	5.6
111.66914	2.8
117.06982	19.3
119.08559	65.1
121.06448	7.4
121.10102	33.9
122.07313	5.8
123.08058	28.8
128.06238	4.2
128.56229	2.7
129.07007	15.8
130.07770	5.3
131.08551	31.5
133.10112	34.0
135.08022	15.2
135.11682	5.5
137.09589	29.7
141.06866	4.3
142.07755	15.5
143.08514	25.0
144.09302	3.7
145.10106	44.1
147.08026	53.3
147.11662	4.9
149.09631	3.9
151.07510	12.7
153.07007	3.7
155.08548	6.9
156.09294	12.5
157.10103	27.5
159.11659	24.8
161.09537	5.0
161.13229	5.6
164.45686	3.4
165.06883	3.2
165.09076	88.6
169.10091	12.6
170.10793	4.8
171.11665	16.5
173.13187	13.5
175.14789	5.5
179.08553	3.8
181.10182	11.6
182.10847	4.9
183.11595	11.6
185.13306	3.8
187.14874	4.0
189.12646	4.5
193.10022	6.4
195.11632	7.0
197.13210	6.1
203.14284	28.3
207.11667	4.5
209.13179	4.8
221.15314	100.0
223.14867	4.1
235.14804	5.3
250.81526	3.1
352.23959	4.6
491.35205	4.1
503.34824	6.3
565.40283	13.2
583.40912	18.3
602.28973	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	583.36
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	12.2
69.07021	3.4
79.05452	4.6
81.07031	11.5
89.82784	2.7
91.05428	11.2
92.90488	3.4
93.07011	6.4
95.08592	6.6
101.71925	3.2
107.08589	4.9
119.08559	2.9
169.56393	3.7
193.37614	3.2
194.49066	3.3
249.10864	43.1
270.76025	3.3
305.13391	4.4
566.08179	3.6
583.35858	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	583.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44400	0.9
53.00306	1.2
53.03937	1.3
55.01860	2.7
55.05499	30.0
57.03417	13.5
57.07056	7.5
59.04970	2.1
62.99566	1.0
65.03928	1.7
66.06718	0.9
67.05487	65.7
69.03412	19.4
69.07053	32.0
71.04980	14.5
71.08610	2.0
73.02881	1.4
79.05472	48.7
81.03374	1.9
81.07035	100.0
82.07353	1.4
83.04970	10.9
83.08598	17.4
84.51845	1.1
85.02890	16.9
85.06525	22.8
87.04462	10.3
91.05460	33.2
92.09241	1.1
92.63805	1.3
93.07017	64.1
95.04932	2.6
95.08579	95.0
97.02872	15.9
97.06493	14.0
97.10135	11.2
99.04440	2.3
99.08068	8.3
101.06000	20.3
103.05437	1.4
105.07006	25.8
107.08575	40.2
109.02850	1.7
109.06476	2.2
109.10131	48.0
111.08071	8.4
111.11674	4.4
113.06006	2.6
114.09126	1.6
115.03904	7.6
115.07515	5.9
117.03345	2.5
117.06982	1.8
119.04879	1.4
119.08555	21.1
121.09248	2.1
121.10114	53.3
121.10975	2.6
123.08076	2.2
123.11688	19.2
125.09598	2.4
127.03842	2.1
127.07575	1.3
129.05441	6.9
131.08516	4.3
133.04927	2.0
133.10098	29.1
133.11047	2.0
135.08022	2.6
135.11656	48.3
137.05928	7.1
137.09593	2.7
137.13219	6.0
139.11139	2.2
143.08469	1.2
143.83636	1.3
145.02814	6.5
145.10077	5.4
147.04387	6.0
147.11658	20.7
148.04749	1.9
149.05898	1.2
149.13240	19.9
151.03946	1.4
151.07474	1.4
151.11110	2.8
151.14795	2.1
153.12679	1.2
157.10094	1.8
159.11656	1.5
161.05901	1.2
161.13248	19.6
163.11147	1.9
163.14774	8.8
165.12677	1.7
167.07019	5.8
171.89948	1.2
174.22028	1.1
175.14778	11.5
177.05396	11.7
177.16374	4.6
181.04953	1.4
191.06923	1.1
191.17932	1.2
203.17894	1.5
205.19502	2.5
207.06487	1.8
217.19461	40.0
224.20760	1.2
235.16908	1.9
235.20534	21.5
253.17810	4.2
253.21539	27.1
254.18330	2.0
257.32126	1.1
271.22598	55.0
287.68454	1.2
289.23608	16.1
303.26138	1.3
307.12888	1.4
349.27271	7.4
354.12906	1.5
367.28131	11.0
385.29398	6.8
462.21713	1.2
583.13403	1.8
583.26764	1.5
583.37689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07039	0.6
55.01844	0.8
55.02588	0.6
55.05497	2.9
57.03420	4.3
57.07065	7.7
59.04987	11.8
67.05144	1.3
67.05491	30.4
69.03418	17.3
69.07066	1.6
71.04971	21.2
79.05473	1.8
81.07039	5.5
83.04948	3.7
85.02884	1.6
85.06528	24.3
85.88815	0.8
87.04442	8.7
91.05456	4.3
93.07016	5.3
95.04941	37.0
95.08598	6.2
97.06485	1.8
98.97533	0.8
101.05982	1.8
105.07021	7.2
107.08586	6.5
111.08091	1.0
113.05984	100.0
113.91611	0.7
117.06948	1.6
119.08578	5.7
121.10110	3.4
123.08047	5.6
127.07507	1.7
129.06960	1.7
131.08521	4.7
133.10095	4.3
135.08002	3.1
135.11674	1.5
143.08551	3.8
145.08571	21.7
145.10081	3.4
146.09621	0.7
147.08023	0.9
147.11650	4.6
149.09599	1.4
149.13261	1.0
153.05388	1.2
155.08549	3.1
157.10103	4.2
159.11627	5.5
161.09604	1.1
161.13181	1.7
162.11269	1.0
169.08630	0.9
169.10080	3.7
171.11607	1.4
173.13208	1.8
175.07596	0.8
175.14792	3.3
181.10040	0.8
183.11588	2.8
189.12708	0.9
195.11693	1.3
199.14790	1.4
209.13261	1.5
211.14755	1.4
227.14209	0.9
251.17870	6.5
264.01740	0.8
267.17163	0.9
269.18933	8.8
285.18420	17.3
287.20013	34.3
305.21173	1.5
307.20541	1.0
325.21494	3.1
335.20016	3.9
343.22516	3.0
351.19717	1.0
353.20966	6.5
371.22360	6.3
385.23718	7.1
389.22867	1.0
401.23294	2.7
403.24844	8.2
419.24213	6.9
419.29129	0.8
421.25711	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	582.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01860	0.6
55.05485	0.6
56.05028	0.4
57.03420	4.6
57.07066	5.8
59.04984	10.2
61.02930	1.1
62.33865	0.4
63.32805	0.4
65.03915	1.9
65.20038	0.3
67.05488	30.5
68.00543	0.3
69.03413	20.0
69.07054	1.5
71.04971	19.1
73.06539	0.7
75.04452	2.6
79.05472	4.1
81.07037	3.1
83.04948	3.8
85.02888	0.7
85.06525	19.0
87.04445	6.2
91.05444	4.7
92.08791	0.9
92.09301	0.5
93.06413	0.4
93.07015	21.4
95.04940	42.8
95.08572	3.0
97.02838	0.5
97.06514	1.5
99.08101	0.4
101.05975	1.9
105.07000	5.4
107.04938	0.5
107.08566	9.9
109.06501	8.6
109.10165	0.9
111.04420	0.6
111.08046	1.4
113.05980	100.0
115.03922	0.4
117.07001	1.9
119.08574	3.9
121.06480	1.6
121.10114	3.6
123.08030	0.9
125.05975	4.5
125.09613	0.4
127.07522	0.5
128.06226	0.5
129.06973	1.8
130.07735	0.4
131.08530	4.6
133.06483	0.5
133.10110	2.9
135.08011	5.3
135.11682	2.1
137.05966	1.7
141.06981	0.7
143.08510	3.7
145.06522	0.7
145.08582	17.2
145.10095	6.3
147.08025	1.6
147.11664	0.9
149.05951	0.6
149.09592	1.5
153.05457	2.0
153.09064	3.9
155.08521	1.7
157.10109	2.2
159.08047	2.2
159.11688	2.7
161.09575	1.8
162.11226	1.5
163.07500	1.6
163.11118	1.8
167.08542	0.5
169.10069	3.1
171.08072	1.5
171.11662	0.9
173.09647	1.6
174.27007	0.4
175.07533	1.6
175.11162	0.5
177.05394	0.5
177.09058	1.9
181.10081	0.5
183.11682	1.7
185.09573	0.9
185.13152	0.6
187.07536	0.5
187.11130	3.2
189.09158	1.8
189.12714	0.5
195.11732	1.3
197.09555	0.8
197.13235	0.6
199.11171	0.8
199.14951	0.4
201.12813	0.7
203.10709	1.5
205.12141	0.9
209.13211	1.8
211.11147	0.9
213.09073	1.5
215.10669	2.0
221.13199	1.3
227.10701	0.7
229.12253	1.5
230.88596	0.4
231.13800	0.7
233.11552	3.8
235.14716	0.5
237.12820	0.5
237.16330	0.7
241.08559	0.5
243.13745	0.5
251.12708	0.8
259.09567	1.4
275.17960	0.5
279.17444	0.8
281.15039	0.6
293.18936	0.9
297.18542	0.4
303.17331	0.9
307.16739	0.9
311.19894	0.7
321.18378	6.6
321.34961	0.5
323.20020	0.6
325.17899	1.8
331.16785	0.8
339.19415	7.2
339.22949	0.6
341.17383	0.5
341.21225	0.5
343.18994	0.5
349.18018	3.7
357.20529	2.3
367.18927	12.1
367.23074	0.7
385.20007	17.5
403.21027	12.2
421.22101	50.5
549.90637	0.4
597.18427	0.4
606.51581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28219	0.4
55.01859	1.1
55.05502	0.8
57.03428	4.0
57.07065	5.0
57.21557	0.4
59.04991	13.8
65.03926	2.6
67.05138	1.1
67.05495	29.4
69.03066	0.9
69.03419	18.6
71.04604	0.9
71.04977	20.2
71.93260	0.5
78.16595	0.4
79.05475	4.8
81.03427	0.9
81.07047	4.7
82.86727	0.5
83.04969	2.7
83.08606	0.6
85.02901	2.5
85.06530	23.7
87.04446	9.5
91.05457	5.7
93.07023	5.7
95.04948	44.9
95.08585	3.1
97.02908	0.6
97.06513	1.8
101.05994	2.6
105.07021	10.3
106.07358	0.8
107.04960	0.8
107.08578	16.1
109.06522	1.6
109.10178	0.9
111.04425	3.1
111.08077	0.6
113.05992	100.0
117.06995	3.0
119.04926	2.0
119.08575	6.1
121.02827	0.7
121.06484	1.2
121.10120	3.9
123.04396	1.2
123.08022	1.1
126.08932	0.4
127.07539	0.6
129.06976	2.9
131.08548	12.6
133.06511	4.0
133.10121	5.0
135.04375	0.5
135.08041	2.0
135.11664	0.7
135.90817	0.5
137.02328	2.0
137.05983	0.7
137.09644	0.5
139.03885	2.4
139.07547	0.5
141.06969	0.8
143.08546	3.5
145.02815	1.0
145.06601	0.6
145.08594	22.1
145.10089	6.5
147.08020	12.3
147.11623	4.7
148.13997	0.5
149.06001	1.9
149.09596	7.2
151.07558	0.6
153.05424	0.6
155.03415	0.6
155.08539	1.0
157.10124	3.0
159.08047	4.2
159.11667	5.9
161.05956	5.1
161.09586	1.2
161.13258	0.5
162.11194	0.7
163.11113	0.8
165.01820	0.6
167.07082	0.8
169.10095	0.7
171.08041	1.1
171.11679	2.9
173.05983	0.6
173.09676	1.0
173.13242	4.7
175.07529	17.4
175.11110	0.9
175.14781	0.8
177.05418	2.9
177.12711	0.8
179.07021	1.2
180.09258	0.6
185.13237	0.5
187.07584	0.7
189.09062	1.2
191.06946	1.7
191.14388	0.7
199.14845	4.9
201.16382	6.0
203.07018	22.3
209.13246	0.7
217.08556	1.2
217.15884	4.1
219.17461	2.4
221.08066	3.3
227.14337	1.9
229.15985	0.6
235.16948	2.3
245.15378	3.1
279.17462	0.6
297.18497	2.0
307.16751	2.3
311.20145	0.5
321.18396	2.4
325.17929	3.8
339.19620	2.1
343.19171	1.9
349.17978	3.3
361.19861	0.8
367.18915	8.9
385.15042	0.9
385.20010	27.4
403.15598	0.9
403.21069	36.3
421.22165	52.2
422.22940	0.6
583.27209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17746	0.4
51.87510	0.4
55.05509	0.8
57.03430	3.4
57.07066	6.2
59.04716	0.6
59.04993	12.2
63.75688	0.4
64.43333	0.5
64.95588	0.4
65.03919	0.8
67.05495	27.6
69.03413	13.4
69.07064	0.6
71.04974	19.7
73.06557	0.7
75.52425	0.4
77.86149	0.4
79.05461	1.0
81.07041	2.6
83.04971	1.9
85.02892	0.6
85.06529	26.0
87.04439	6.0
91.05451	0.7
93.07012	0.9
95.04948	34.7
95.08591	1.0
97.06525	1.0
101.06004	1.9
105.06998	1.0
107.08573	0.7
109.10125	0.6
113.05990	100.0
117.07049	0.5
119.08554	0.8
121.10097	0.6
131.08537	1.0
133.10112	0.8
143.08600	1.0
145.08583	29.6
147.11659	0.5
149.13126	0.5
157.10150	0.7
159.11655	0.6
162.11258	0.7
175.14764	0.5
185.59334	0.4
191.06992	0.6
199.14691	0.4
205.22017	0.4
205.51332	0.5
221.13185	0.5
253.21745	0.5
285.18491	2.2
321.18573	0.4
349.17685	0.6
367.19022	1.6
385.20117	7.1
403.21063	11.0
419.20517	2.5
421.22360	3.9
529.95746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81265	0.5
55.05502	0.8
57.03434	3.9
57.07071	7.1
59.04988	14.6
65.03936	0.7
67.05492	28.6
69.03418	15.1
69.07053	2.2
71.04607	0.9
71.04980	22.0
73.06533	0.7
79.05462	0.8
80.46830	0.4
81.07036	3.1
83.04962	2.6
83.08631	0.5
85.02897	2.0
85.06528	25.9
86.63473	0.4
87.04445	7.5
91.05469	1.1
93.07012	2.3
95.04947	37.3
95.08572	2.0
97.06496	0.9
101.05992	2.2
105.07013	2.3
107.08568	1.1
109.06490	0.6
109.10141	0.9
112.93876	0.4
113.05988	100.0
119.08558	0.7
121.10132	0.7
127.07609	0.5
131.08464	0.7
133.10117	2.5
135.11697	0.5
145.08577	28.2
147.11729	0.8
157.10112	1.1
159.11665	0.9
162.11240	1.0
171.11601	0.5
175.14787	0.8
185.13141	0.7
199.14838	0.5
216.08344	0.5
225.16451	0.6
253.21625	0.8
268.55972	0.5
285.18448	0.9
297.14801	0.5
339.19537	0.8
367.19083	2.0
382.06375	0.6
385.20081	7.3
403.21042	8.9
419.20502	1.9
421.22012	3.9
502.70511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97085	0.6
53.00292	3.0
53.03943	0.9
55.01880	5.5
55.05507	1.4
56.96547	0.8
57.03429	28.8
57.07068	1.2
57.19584	0.7
59.04974	3.9
60.04514	1.3
61.02905	5.2
63.63519	0.7
67.05471	3.2
68.68313	0.7
69.03416	90.9
69.07050	1.9
70.03733	0.8
70.06572	1.3
71.01324	1.0
71.04948	3.7
73.02900	6.4
75.04459	5.5
79.05470	3.8
81.03413	7.7
81.07053	6.9
82.05489	0.7
83.04963	6.1
85.02892	90.2
85.06518	0.9
87.04450	59.2
91.03934	1.5
91.05463	49.1
92.05784	1.3
92.08412	0.8
93.07002	5.5
94.46661	0.9
95.04939	3.2
95.08590	6.9
97.02870	100.0
97.06525	1.4
99.04420	8.2
101.02375	1.3
103.03937	1.4
105.07029	14.2
107.04935	5.5
107.08549	6.1
109.02898	6.0
109.06491	1.8
109.10130	1.7
111.04433	1.3
113.05990	3.4
115.03916	74.6
116.98602	0.9
117.05468	1.1
117.06991	3.0
119.04927	1.3
119.08554	10.1
121.02886	0.8
121.06490	1.4
121.10116	4.4
123.04333	0.9
123.07990	1.5
125.09549	0.8
127.03890	24.5
129.07013	1.0
131.04932	0.9
131.08517	4.1
131.23572	0.9
133.04951	62.9
133.06522	3.7
133.10078	7.2
135.08073	0.8
137.05957	5.7
143.08522	1.4
145.04951	17.1
145.06137	1.1
145.10107	3.9
147.04410	3.0
147.11673	11.4
150.07625	1.3
153.05457	1.2
157.10094	3.8
159.08041	1.2
159.11635	5.8
161.09543	0.9
161.13124	1.3
163.03896	1.4
163.05988	5.1
167.07002	3.8
169.04985	1.5
171.11603	1.5
173.13141	1.4
173.63101	0.7
175.11156	1.0
175.14778	7.4
177.05487	1.3
193.04927	3.6
195.62758	0.9
197.08043	1.2
199.14792	3.1
217.08620	0.9
217.15831	6.5
223.09616	10.4
229.07045	1.5
235.16779	8.7
241.07062	1.9
253.10779	0.9
253.14185	1.1
259.08084	9.8
271.11746	1.3
277.09198	1.9
295.10245	9.8
315.08539	1.0
325.11185	3.0
385.08344	0.8
550.15875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75426	1.3
53.03944	3.7
55.01881	1.7
57.03434	3.8
61.02914	2.7
67.05486	3.4
69.03419	16.1
71.04968	2.9
79.05486	11.4
81.03400	6.3
81.07050	10.2
85.02892	23.5
87.04443	3.0
91.05464	10.3
93.07005	2.6
95.04950	36.9
95.08572	3.1
97.02876	13.4
99.04413	3.0
105.04454	2.0
105.07011	13.4
107.04949	35.7
107.08564	3.7
109.02912	6.7
109.06526	3.1
109.10120	2.4
115.03938	2.4
115.05447	8.0
117.03345	1.8
117.06993	15.4
119.04911	2.0
119.08562	7.5
121.06508	3.7
123.04415	40.0
123.08049	2.3
124.05212	7.7
125.05964	6.9
127.03889	2.2
128.06264	2.4
129.06949	12.8
131.04935	3.9
131.08536	11.8
133.02888	1.9
133.06491	6.7
133.10178	6.5
137.05972	20.0
139.03886	2.2
140.04652	3.7
141.06956	3.6
143.08540	8.2
144.05684	8.8
145.02818	1.8
145.06473	31.5
145.10112	7.3
147.11688	2.3
149.06035	3.2
151.03951	2.4
151.07504	2.0
153.05424	7.4
155.05981	5.9
155.07040	14.5
155.08138	1.7
156.05750	12.1
157.06477	7.4
158.07271	6.9
159.04398	1.8
159.08037	24.8
160.05167	3.4
161.05959	7.9
165.05423	6.3
167.07007	100.0
168.07668	2.2
169.06413	5.8
169.07727	2.3
170.07217	2.0
171.07947	3.2
172.08775	3.3
173.05939	35.6
173.09589	8.9
173.13260	2.0
174.06706	4.1
175.07484	3.3
177.05444	9.3
179.07118	2.9
181.04950	6.7
181.08551	3.8
182.09338	7.5
183.06503	34.4
184.05170	6.7
184.07195	7.8
187.07591	16.5
189.05438	1.9
189.09036	6.3
190.06226	12.4
191.06947	3.8
192.07773	3.6
193.08629	6.7
198.06744	2.6
201.09094	9.2
202.06230	7.3
203.06924	14.6
203.08659	2.5
204.07793	4.1
205.08546	19.7
205.12106	2.4
207.09961	2.0
210.08867	7.4
216.07826	2.3
217.08546	52.5
218.07208	7.1
218.09364	7.5
219.08035	12.3
219.10153	16.2
220.08817	2.3
220.10823	6.9
221.09656	2.9
230.09409	2.3
231.08173	4.9
231.10185	6.4
232.10683	2.2
233.06001	1.9
233.09610	7.6
233.11627	25.6
234.06760	3.1
234.08826	2.7
234.12030	11.7
235.07509	3.8
235.09624	2.9
235.17068	1.9
236.08353	2.9
237.09041	2.0
238.11955	3.6
241.08548	3.1
246.06671	3.5
247.07475	16.3
248.08228	9.4
248.10474	7.5
249.05470	2.2
249.09021	11.1
249.11272	3.4
251.10611	6.9
253.17867	1.8
260.08334	2.0
261.09106	12.9
262.06223	3.1
262.09851	3.0
263.06894	2.5
263.10632	7.6
264.07742	12.4
265.08466	3.8
267.10187	2.0
268.11020	2.2
269.08008	3.1
271.09653	2.0
271.15402	2.4
275.06937	3.4
276.07669	3.0
277.08591	14.5
278.09299	4.0
279.10135	16.5
280.10715	2.5
281.08145	2.5
289.08374	3.8
291.06668	2.0
291.10110	6.8
292.07205	2.6
293.07971	7.5
293.11746	7.4
295.09610	2.3
296.10379	2.0
306.08853	3.3
307.09613	27.4
308.10202	6.3
309.11111	7.7
311.12646	14.1
321.11124	7.8
323.09174	3.8
324.09796	2.2
325.10428	2.3
329.10074	2.3
330.11139	2.7
337.10782	3.3
338.11227	6.1
339.12314	10.0
344.12585	7.0
353.13736	3.0
359.15091	2.3
369.13223	22.3
370.13712	2.7
371.14847	61.1
372.15280	6.2
383.14709	3.4
387.14420	11.5
389.15912	8.9
401.15894	85.7
402.16412	39.6
403.17532	2.8
404.17899	3.6
419.17001	22.1
420.17889	24.7
522.65918	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	582.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83487	0.2
53.03925	0.9
55.01861	0.3
55.05496	0.3
57.03413	1.2
65.03919	3.2
67.05489	2.2
69.03408	3.7
69.07053	0.5
71.04960	0.4
75.04453	0.3
79.05455	1.4
81.03394	4.1
81.07027	1.5
82.00562	0.2
82.04166	1.5
83.04964	0.5
85.02413	0.4
85.02882	5.6
85.06502	0.5
86.54995	0.2
87.04476	0.5
91.05463	0.8
92.08843	1.3
92.09366	0.3
93.03382	0.9
93.07011	1.4
95.04937	3.6
95.08575	1.2
97.02860	3.0
97.06528	2.0
99.04417	0.8
105.03412	0.2
105.04494	0.3
105.06336	0.2
105.06995	1.2
107.04919	0.5
107.08562	1.2
108.02098	0.4
109.02867	1.7
109.06500	0.5
109.10141	0.5
110.03642	2.0
111.04416	1.4
111.08033	0.2
113.06014	0.4
115.03898	0.8
119.08525	1.0
121.10097	1.0
123.04402	1.9
123.08022	0.2
123.11682	0.3
125.02352	0.2
125.05968	1.8
125.09575	0.3
127.03864	0.5
131.08527	0.4
133.10100	1.0
135.04388	1.4
135.11671	0.2
137.05914	0.4
137.09592	0.3
138.03091	1.3
140.04649	8.4
142.02608	2.0
145.02797	0.2
145.04939	0.2
147.04349	1.2
147.11644	0.5
153.05457	1.2
155.06996	4.4
157.10063	0.2
159.07956	0.3
159.11674	0.3
160.64485	0.2
162.03078	2.0
163.03870	2.1
167.06985	1.4
171.06488	6.3
173.05965	0.2
173.08080	0.4
175.14746	0.3
177.05556	0.3
177.12798	0.2
179.03355	1.2
181.04912	100.0
184.89491	0.2
190.02554	6.3
194.02025	0.3
195.06487	0.4
199.05977	6.9
199.07568	0.3
207.02863	1.8
208.03629	6.2
217.15942	0.3
223.05965	32.5
235.16820	0.4
243.18544	0.2
253.17973	0.9
325.09164	2.7
343.10077	3.5
369.13486	0.4
385.06818	0.2
401.16013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01870	3.6
55.02070	0.4
57.03415	2.0
57.09144	0.4
61.02908	1.8
67.05481	0.5
69.03412	4.6
70.09914	0.4
71.04990	0.5
71.17450	0.3
72.12170	0.3
73.02895	0.5
79.05469	2.2
81.03378	2.2
83.01331	1.8
85.02891	16.5
86.09680	1.9
87.04433	0.6
91.03893	0.6
91.05449	2.1
95.01311	0.7
95.04960	3.4
97.02869	5.7
103.05450	3.1
103.70033	0.4
105.07011	45.0
107.04927	2.2
109.02879	1.7
111.04380	0.7
115.03905	0.9
115.05436	9.4
117.07001	3.4
118.04140	1.6
119.03338	0.5
119.04919	0.6
119.08533	0.4
121.67073	0.4
123.04414	6.0
125.02321	0.5
127.03900	3.4
128.06218	0.9
129.06924	0.8
131.04910	3.6
132.05702	0.6
133.06467	52.1
139.03862	0.7
140.04671	2.2
143.03281	0.6
143.04878	2.2
143.06029	3.7
144.05635	0.6
145.04939	0.9
145.06482	5.0
147.04361	1.0
147.07986	1.6
149.06018	0.6
151.03868	0.5
153.01799	0.7
155.05969	0.5
155.07018	4.3
157.06476	3.6
159.08061	0.9
160.05179	1.0
161.05945	100.0
162.06384	0.5
163.07512	0.9
167.06995	24.1
169.04945	0.7
169.06364	0.7
171.04378	0.8
172.05141	0.8
173.05914	3.9
175.03897	2.4
175.05975	1.5
175.07530	3.4
177.05385	0.9
178.06215	0.6
179.06935	0.7
180.08603	2.2
181.04927	2.0
183.06497	2.6
185.06001	2.2
186.03047	0.9
187.03818	0.7
187.07472	2.6
188.04634	0.5
189.05515	2.9
190.06226	2.8
191.06963	3.1
192.07814	0.7
193.08566	45.5
197.05933	0.5
198.02959	0.6
199.07530	0.7
200.04677	1.6
201.05460	3.6
203.07034	2.1
205.05028	0.4
205.08560	7.0
206.09402	0.7
207.06514	9.4
207.10196	0.5
213.05466	2.0
215.03621	0.4
215.06967	1.7
216.04163	0.8
217.04942	1.7
217.08533	1.0
218.05652	0.6
219.06538	4.5
220.07359	2.0
221.08005	2.7
223.09734	0.7
228.04173	0.5
229.04863	4.2
229.08531	0.5
230.05737	0.9
231.02824	0.6
231.06511	5.1
233.04399	7.8
233.07974	5.2
234.05113	0.5
234.08830	1.0
235.06049	0.9
235.09773	0.9
243.06407	1.6
245.08029	2.8
246.05153	0.5
247.06010	3.8
247.09677	0.7
249.07634	3.5
251.09082	16.4
257.04355	1.8
259.05969	5.7
259.09512	0.5
260.06805	0.6
261.07529	10.1
263.09116	3.0
271.05847	0.5
273.07455	0.9
274.04703	0.7
275.09097	6.1
277.06973	2.7
279.08417	3.1
287.08994	1.0
289.07001	5.5
293.10129	4.3
303.08621	0.7
305.10092	3.6
307.08072	13.4
319.07962	0.8
323.11182	2.7
325.08951	3.1
349.09091	1.7
355.10086	0.6
367.10229	5.9
385.11197	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	581.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.0
53.03934	4.5
55.01865	2.4
55.05505	13.4
56.33998	0.9
57.03419	7.9
57.07062	2.6
59.04984	1.5
60.85494	1.0
61.02909	9.1
63.34440	1.3
65.03942	0.9
67.05492	19.3
67.25216	0.9
69.03415	26.5
69.07060	14.5
71.01357	1.4
71.04977	18.8
73.02905	2.1
79.05468	20.0
81.03399	9.5
81.07037	83.2
82.19804	1.0
83.04956	1.5
83.08613	7.0
84.58104	1.1
85.02889	100.0
85.06532	5.2
87.04445	4.9
91.03945	4.1
91.05454	13.1
92.09299	1.2
93.07018	41.4
95.04930	5.6
95.08582	44.4
97.02870	21.0
97.06506	1.8
97.10142	2.3
99.04436	5.4
99.08100	1.2
103.03864	1.5
105.03358	1.2
105.07004	39.3
107.04914	1.4
107.08572	60.3
109.02852	9.3
109.06492	1.6
109.10136	39.6
111.08077	4.8
113.05949	2.0
117.07011	4.6
119.08557	40.8
121.10113	15.9
123.08007	5.0
123.11668	20.4
125.09621	6.3
127.03889	21.5
127.11169	9.5
129.06958	1.3
131.04893	1.2
131.08559	6.0
133.04985	1.5
133.10104	32.7
135.10635	2.5
135.11665	62.7
137.05855	1.4
137.09601	1.9
137.13232	2.4
139.11124	1.3
143.08589	1.3
143.10628	12.6
145.04922	18.2
145.06007	1.3
145.06535	1.3
145.10136	2.6
147.11682	24.7
149.09521	1.4
149.13226	6.5
151.07425	1.1
151.11133	1.4
153.12717	4.7
157.10155	1.6
159.11711	4.6
161.06000	1.3
161.13249	14.5
163.05972	5.8
163.11183	2.0
163.14830	2.6
167.07053	4.7
173.09515	1.6
173.13200	1.4
175.14774	4.7
177.05438	1.2
177.16383	2.3
183.11722	1.2
184.90811	1.1
191.14348	1.4
203.17915	39.8
221.18982	29.2
237.02782	1.2
251.12589	1.5
293.50620	1.4
305.51404	1.3
325.11160	2.0
347.21875	1.4
581.36438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91263	4.2
55.05500	35.3
57.02490	4.5
57.03421	23.2
57.37175	4.1
67.05488	64.4
69.03397	5.5
69.07053	19.6
71.04968	6.2
79.05484	62.5
81.03392	78.8
81.07037	70.5
83.04971	21.6
83.08615	35.7
83.57780	5.5
85.02879	27.6
91.05455	60.1
93.07030	58.6
95.04940	32.4
95.08588	36.4
105.06982	33.3
107.08573	26.7
109.10141	9.6
110.11402	4.7
111.08089	6.3
119.08557	33.2
121.10121	24.2
129.06972	11.9
131.08533	10.9
133.10092	9.8
135.11690	5.1
147.11649	20.5
157.10104	8.8
163.39111	5.1
175.11212	9.9
193.12196	45.7
209.55916	5.2
211.13249	69.3
260.70178	5.4
285.16916	35.6
335.25674	52.1
349.22171	4.7
391.63000	5.1
416.65482	5.5
527.60864	5.6
545.38202	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	581.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46290	0.6
53.03947	1.7
54.81622	0.6
55.01864	0.9
55.05508	1.2
57.03428	1.2
57.07070	1.0
65.03924	4.0
67.05510	5.7
68.99773	1.0
69.03416	6.3
70.06596	0.7
70.31409	0.7
70.62412	0.7
73.02896	0.8
79.05475	7.1
81.03406	2.9
81.07050	5.7
83.04968	1.7
85.02896	8.4
85.06520	1.1
87.04511	0.8
91.05462	7.5
93.03409	0.7
93.07030	5.4
95.04955	19.3
95.08610	1.6
95.29807	0.7
97.02866	6.1
97.06562	0.9
99.04467	0.7
103.05466	3.3
105.03363	0.9
105.04486	0.8
105.07020	4.7
107.04955	9.6
107.08578	2.9
109.02855	1.6
109.06501	1.2
109.10145	1.0
110.03635	0.8
111.04433	3.3
115.05434	9.6
117.03322	0.8
117.06999	14.1
119.04932	3.0
119.08582	2.9
121.06519	6.9
121.10091	1.3
122.03658	1.3
123.03548	1.0
123.04411	18.1
125.05952	3.8
126.20184	0.7
128.06233	7.3
129.06998	9.2
130.07756	3.3
131.04904	6.6
131.08546	6.7
132.05695	4.6
133.02759	0.9
133.06488	4.8
135.04364	1.2
135.08025	1.5
137.05972	4.2
139.03899	5.1
139.07460	0.9
140.04663	5.6
141.06972	19.0
142.07785	1.6
143.04912	1.8
143.08537	11.4
144.05663	9.2
144.09363	4.3
145.06479	31.8
145.10118	7.8
147.04413	9.8
147.08057	1.6
147.11761	0.9
151.03920	5.9
151.07544	1.2
153.05475	3.7
153.06970	3.0
154.06227	0.8
155.05969	3.6
155.07060	3.2
155.08539	3.5
156.05721	4.0
157.06529	5.2
157.10094	1.0
158.07256	20.6
159.08084	8.3
160.05229	1.8
161.05959	5.4
163.03862	1.1
163.07556	1.2
163.11121	0.8
165.05385	0.9
167.07004	18.8
168.04143	3.8
169.06364	6.4
169.07713	1.5
170.07236	13.4
171.04337	0.9
171.06482	4.2
171.08044	7.5
172.05179	1.1
172.08813	12.5
173.05960	17.5
173.09579	20.0
174.06714	1.0
175.07533	4.8
177.05396	6.2
178.06302	1.1
179.06871	0.9
181.04968	1.6
181.08569	11.1
183.06508	27.9
183.07991	1.5
185.06041	0.7
186.06760	4.9
187.07507	15.1
188.08400	0.9
189.05435	3.4
189.09099	4.4
190.06242	3.5
191.06938	3.1
192.07791	7.5
193.08615	5.9
198.06784	4.7
199.07521	3.5
200.08273	3.3
201.05501	1.4
201.09082	24.9
202.06229	0.9
203.07018	16.4
204.07967	0.9
205.08516	7.6
207.10193	1.5
209.08157	0.9
216.07768	7.5
217.08562	15.6
218.09361	15.0
219.08011	2.8
219.10121	22.3
221.07964	5.3
222.08423	3.2
231.10129	24.0
233.11691	100.0
237.14319	1.3
246.14844	4.9
247.07434	1.7
248.08398	1.0
251.20018	0.7
261.09186	1.1
276.07660	1.0
277.08542	4.1
279.10022	1.3
304.07333	0.7
305.08145	1.1
305.84512	0.8
307.09586	1.8
309.11154	1.4
323.09253	1.1
337.10446	3.0
339.12262	1.2
354.10965	1.1
369.13318	5.8
371.14926	10.2
401.15909	60.9
402.16260	1.1
403.17487	13.1
419.16632	1.0
491.28894	1.4
581.21771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	3.2
53.03929	2.9
54.38016	2.5
55.01857	3.8
55.05505	36.5
55.10974	2.5
56.20234	2.4
57.03426	34.7
57.07058	3.4
65.03922	2.5
66.33754	2.4
67.05489	94.8
69.03423	3.2
69.07064	21.1
71.04960	4.5
79.05480	80.4
79.05939	2.9
81.03395	67.8
81.07038	100.0
83.04977	27.4
83.08599	28.7
85.02902	31.3
85.06517	2.9
91.05460	54.3
92.63775	2.6
93.07018	70.8
95.04942	32.8
95.08583	59.4
97.06511	5.3
100.71636	2.5
105.07014	42.6
106.47678	2.3
107.04894	5.7
107.08570	30.6
109.06511	6.2
109.10159	18.8
111.08060	4.5
117.06983	4.1
119.08566	33.7
121.10115	34.4
123.11704	3.2
129.06963	14.1
131.08554	20.6
133.10124	21.4
135.11691	14.2
145.10080	6.3
147.08018	3.4
147.11653	18.3
149.09607	5.3
157.10110	14.2
161.13358	3.8
175.11162	14.3
193.12204	39.6
199.54149	3.0
211.13249	37.8
261.22018	10.2
267.15811	9.7
285.16888	37.3
297.58405	3.5
335.25723	99.4
480.91812	3.0
527.36908	11.4
533.04932	3.1
545.38269	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42870	6.4
56.47018	5.6
59.05013	5.9
59.81355	5.6
61.67369	6.1
67.05482	43.0
69.03421	14.4
69.74307	5.4
70.14587	7.3
71.04964	16.8
79.05485	11.9
83.04981	8.6
85.06544	27.4
86.09644	6.9
87.04440	7.4
91.05426	6.2
93.06974	7.6
95.04953	48.1
100.81835	6.7
103.05467	8.7
104.05323	11.5
105.06998	11.3
107.08555	44.2
113.05992	100.0
117.07006	7.3
119.08545	11.6
120.08083	86.1
127.46349	5.9
131.08540	16.0
133.10092	8.2
145.08646	8.7
145.10066	26.9
147.11641	6.9
159.11668	7.4
173.09656	13.9
174.05841	9.0
191.10641	6.3
194.41385	7.2
201.98413	7.3
337.21469	25.6
355.22702	25.9
373.23679	82.2
377.62421	6.8
391.24841	49.9
409.25848	9.7
476.90607	9.2
500.70581	7.7
580.38232	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99952	3.9
52.67086	4.2
53.03938	5.0
55.05496	31.2
56.45156	4.7
57.03420	23.1
60.46199	5.1
67.05483	79.3
69.07047	11.9
71.04990	7.2
73.56229	5.3
74.87813	4.8
79.05468	60.0
81.03387	72.2
81.07043	75.7
83.04956	21.0
83.08590	35.4
85.02885	27.6
91.05453	36.4
91.29871	4.9
93.07003	59.1
95.04939	24.3
95.08593	50.2
97.06498	5.6
105.06985	32.9
107.08582	30.8
109.10172	9.9
111.08061	6.8
119.08559	25.5
121.06449	5.8
121.10117	29.8
127.71806	5.3
129.06963	6.8
131.08537	13.1
133.10164	7.6
135.11644	10.2
147.11708	9.2
149.91252	6.5
157.10060	11.6
172.04433	5.4
193.12184	22.2
201.94061	6.4
211.13248	35.0
219.91797	6.3
250.94109	5.8
285.16910	36.4
335.25671	90.0
337.52322	5.2
346.72708	6.4
527.36536	8.4
545.38159	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	580.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74583	3.0
52.18126	3.3
53.71083	3.4
55.05508	7.1
57.03428	4.3
57.07069	7.3
59.04984	7.2
66.24593	4.2
67.05499	57.1
67.86842	3.6
69.03407	20.9
69.07044	4.7
70.03725	4.1
70.47598	4.0
71.04954	34.4
72.05320	4.0
79.05466	7.7
81.07040	9.5
83.04964	4.1
85.02944	3.7
85.06521	39.2
86.06840	9.2
87.04441	4.9
91.05456	8.4
92.08784	6.0
92.09245	4.4
93.07024	16.7
95.04951	36.5
95.08570	5.5
96.05247	4.7
102.81742	3.8
105.06988	18.3
107.08533	5.8
109.10119	5.8
113.05988	100.0
114.06356	23.4
119.08559	6.8
125.06034	4.2
131.08591	4.7
132.38350	4.3
133.10033	5.3
135.11658	4.6
145.08582	9.6
145.10077	5.4
146.10460	4.8
162.98146	4.0
168.77042	3.9
328.23843	4.3
338.22009	6.2
338.99045	4.4
339.22122	6.1
355.22507	7.5
356.22964	6.7
357.23248	6.3
358.23334	5.6
373.23715	16.4
374.24069	6.3
375.24182	16.8
406.35004	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	580.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56275	0.9
55.05499	1.7
56.79313	0.9
57.03415	5.6
57.07059	6.6
59.04997	9.1
65.03918	1.2
65.07677	0.8
67.05489	30.5
69.03069	1.1
69.03419	17.7
69.07043	2.4
71.04980	20.6
79.05467	6.4
81.07024	6.8
83.04971	2.0
83.08611	2.4
85.06523	26.6
87.04440	6.0
91.05460	6.4
93.07011	5.4
95.04941	36.3
95.08582	5.1
98.42027	1.0
98.64403	1.1
105.07016	8.2
107.08546	6.9
109.10114	6.6
113.05985	100.0
117.06985	5.0
119.08540	3.9
121.10122	1.5
124.63333	0.9
129.06866	1.5
131.08530	5.2
133.10104	4.0
134.59152	1.0
135.11664	1.3
140.71999	1.1
141.06944	1.3
143.08614	3.0
145.08572	18.3
145.09969	3.1
147.11679	4.6
149.13246	2.4
152.92650	1.0
155.08495	1.8
157.10106	3.7
159.11694	5.5
161.05928	4.5
161.09653	1.5
161.13181	1.4
167.08549	1.5
169.10098	4.0
171.08003	1.2
175.07513	1.4
181.10112	1.6
183.11647	1.7
185.13266	1.4
187.14851	1.3
189.05379	5.6
195.11734	1.5
197.09612	4.5
199.14970	1.1
201.09052	1.3
203.07149	1.3
209.13240	1.2
213.09007	5.2
215.10577	8.5
227.10690	1.6
229.12291	3.9
238.07751	1.0
241.08588	1.6
241.12242	2.1
243.10004	1.4
277.19376	1.6
277.98138	1.4
305.18967	2.4
323.19919	15.4
326.86795	1.0
337.21664	3.6
341.21042	38.6
351.19446	6.1
355.22507	5.7
369.20496	15.1
373.23557	5.9
383.22137	1.7
387.21524	8.1
401.23138	12.0
419.24109	14.8
510.76700	1.1
539.29736	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	580.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42274	0.7
53.03928	1.9
55.05498	1.2
55.22546	0.7
57.03424	1.1
57.07089	0.7
59.04983	6.4
67.05492	6.0
69.03415	88.0
71.04979	6.4
79.05460	4.7
81.03391	5.2
81.07039	3.9
85.06528	1.9
85.95449	0.8
87.04448	5.3
91.05455	4.8
93.07015	7.0
95.04954	7.8
95.08569	5.2
99.04435	100.0
105.06972	6.2
107.08566	5.9
109.06489	1.4
109.10129	1.8
113.05986	12.4
117.06967	3.9
119.08575	6.3
121.10109	3.9
125.05956	1.4
128.06178	1.1
129.06976	1.3
131.07011	24.3
131.08466	6.5
133.10086	4.0
141.06963	1.1
143.08545	4.5
145.06454	1.3
145.08601	3.9
145.10078	5.4
147.11671	5.1
149.13191	1.0
155.08540	1.1
157.10107	3.6
159.11649	5.8
161.13248	4.5
169.10077	3.5
171.11658	1.6
175.07533	1.8
183.11649	4.3
185.13148	1.7
187.14784	0.9
195.11662	1.9
197.13396	0.9
209.09563	1.6
211.11133	1.2
213.09122	1.0
215.17923	1.4
227.10622	4.3
229.12091	1.5
251.17999	1.2
289.64316	0.9
291.21072	1.7
309.22073	1.4
319.20474	1.4
337.21564	23.3
351.19473	1.7
355.22577	21.2
369.20508	3.7
373.23645	37.3
387.21500	3.9
405.22852	8.2
433.25626	4.9
503.29813	3.9
504.47427	0.9
562.03497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01848	3.4
55.05503	3.5
57.03422	8.3
57.07065	4.1
57.99918	1.4
67.05487	7.2
67.54130	1.6
69.03428	16.9
69.07050	4.0
73.47974	1.7
79.05471	12.3
79.33042	1.7
79.97512	1.9
81.03390	7.1
81.07030	15.6
83.04989	2.5
85.02883	40.4
85.06513	3.5
87.04449	7.6
91.05457	11.5
92.09173	11.9
93.07018	12.0
95.04920	9.2
95.08595	13.4
97.02879	13.9
97.06505	2.3
97.10174	2.2
103.05441	2.9
105.07007	35.5
105.16352	1.7
106.07178	1.7
107.08585	13.2
109.02846	3.1
109.06492	8.3
109.10126	7.4
111.04443	1.9
111.08060	3.3
115.03909	6.9
115.05448	7.7
117.03307	1.9
117.06993	2.4
119.08540	13.2
119.15200	1.8
121.06485	3.0
121.10082	3.9
122.03664	3.1
123.04383	2.8
123.08044	3.8
123.11703	3.3
125.09622	2.3
127.03844	3.4
128.06215	1.9
129.06966	2.2
131.04889	9.8
131.08539	8.1
132.05653	4.3
133.04926	2.3
133.06470	14.2
133.10078	14.8
135.08055	3.6
135.11658	4.4
137.05945	74.0
137.06909	3.6
143.08556	3.6
145.02824	7.5
145.04951	2.4
145.06352	2.1
145.10139	7.3
146.03546	6.5
147.04440	1.9
147.11687	8.6
149.05989	3.6
149.09636	2.6
157.10147	2.6
159.04398	1.8
159.08055	2.1
159.11690	2.2
160.05196	3.6
161.05949	89.2
161.13280	2.2
162.06747	2.0
163.11176	2.7
163.14685	1.9
165.09131	3.8
165.12749	3.8
167.07021	6.2
171.07991	2.8
173.13214	3.0
175.14775	9.3
177.05409	14.6
179.10693	3.9
185.05966	2.2
189.05362	2.1
191.06975	3.9
191.08562	7.5
191.10182	2.1
191.14319	4.0
192.07803	13.0
192.09305	2.4
193.15817	20.9
194.07213	2.1
199.07526	24.4
202.07768	13.7
203.08563	35.8
203.17842	3.4
204.09355	2.3
205.15791	2.7
206.07310	2.4
207.08040	3.4
208.08752	2.1
219.08031	11.7
220.08798	16.2
221.05664	1.7
221.09598	2.3
221.15385	7.0
230.07307	3.0
231.08014	57.4
232.08655	13.1
234.06592	4.0
235.07436	3.7
235.11142	2.2
237.09024	3.2
239.16405	7.2
245.09584	2.3
247.07516	9.2
248.08260	28.0
249.08980	4.2
250.06165	2.8
251.12796	2.3
251.16345	10.1
258.06702	2.3
259.07532	51.5
260.08240	30.4
261.09155	3.4
263.10638	25.3
264.07779	2.7
265.08514	9.3
269.17453	17.6
275.07004	2.4
276.07767	18.7
277.08463	4.3
279.10126	2.5
291.10068	100.0
292.10825	4.1
293.08090	7.8
295.09872	2.7
308.10260	3.3
309.11157	63.1
323.12708	74.2
341.09927	4.2
341.13742	55.8
365.19296	2.9
371.11130	3.7
579.33691	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05500	8.4
57.03431	12.7
65.87054	1.5
67.05494	14.2
69.03400	11.8
69.07041	8.7
69.45801	1.9
70.51179	1.6
71.04603	3.1
71.04974	63.0
73.02885	1.7
75.04449	3.1
79.05463	9.8
81.03384	3.2
81.07040	21.1
83.04958	8.1
83.08607	3.2
85.02890	100.0
85.06528	2.3
87.04463	3.6
91.05454	13.5
92.08702	3.9
93.07021	21.2
95.04983	6.0
95.08598	12.8
97.02853	11.9
97.06498	9.9
97.70037	1.7
105.03404	3.7
105.07011	20.8
107.04906	2.0
107.08587	16.8
109.06493	3.3
109.10131	13.4
111.04435	3.3
115.03908	2.0
117.06974	3.9
119.08533	13.1
121.06425	1.7
121.10114	13.6
123.11642	2.1
124.03898	2.9
125.05930	1.9
125.09647	2.1
127.03902	1.9
127.11158	2.9
129.05434	17.4
129.06950	3.9
131.08543	15.4
133.10112	20.6
135.08052	2.7
135.11644	4.3
142.07761	2.4
143.08527	8.2
143.10634	2.8
145.02852	2.2
145.04901	3.8
145.06436	2.0
145.10115	14.6
147.08038	1.8
147.11676	10.0
151.11137	2.1
155.08516	3.2
157.10080	6.9
159.11632	11.3
161.13213	8.5
167.07016	2.7
168.09332	2.7
169.10062	2.7
171.11627	2.8
173.13187	3.8
175.11098	2.2
179.63290	2.2
181.10168	3.2
183.11649	2.8
189.09134	2.8
201.16394	3.7
209.13155	3.4
211.11201	2.6
219.17395	4.3
227.10599	3.8
229.12195	2.4
232.17946	1.8
297.40677	1.9
337.21530	36.7
355.22531	37.8
373.23654	23.8
458.38681	2.0
519.29346	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	580.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99395	0.1
52.73829	0.2
53.03920	0.2
53.50291	0.2
55.01851	0.4
55.05503	0.3
57.03415	1.0
61.02907	0.3
64.25475	0.2
64.35195	0.2
67.05473	0.2
69.03119	0.2
69.03414	3.0
69.07062	0.3
70.06567	0.8
71.04971	0.4
72.08144	0.2
73.02897	0.3
78.38406	0.2
79.05455	0.8
81.03391	2.4
81.07028	0.7
83.04965	0.4
84.08125	0.2
85.02885	3.6
85.06507	0.2
86.09665	0.3
87.04462	0.3
91.05450	1.0
92.08986	1.3
93.06982	0.7
95.04914	0.3
95.08585	0.2
97.02872	1.3
99.04412	0.7
104.06210	0.2
105.06973	0.9
107.04932	0.9
107.08553	0.9
109.02856	1.0
109.06522	0.3
109.10119	0.2
115.03907	0.3
117.07000	0.3
117.66026	0.2
119.04920	1.2
119.08536	0.8
121.06436	0.7
121.10061	0.4
122.34573	0.2
122.63602	0.2
123.11662	0.2
125.09558	0.2
127.03827	1.4
130.04111	1.1
131.04921	0.8
131.08505	0.3
133.02797	0.2
133.06476	0.8
133.10071	0.3
135.04385	1.2
135.08044	0.3
137.05917	0.3
140.61133	0.2
145.02771	0.7
145.04924	0.3
145.06485	0.3
145.10088	0.7
147.04382	4.7
147.11678	0.3
148.05154	0.4
149.05919	1.0
150.06750	0.8
159.04343	0.3
159.11729	0.2
160.05144	0.9
161.05988	1.7
161.07124	0.2
161.09579	0.3
162.06718	6.7
162.08040	0.2
163.03867	4.9
163.07498	1.4
165.05496	0.2
167.06982	1.1
173.06052	0.2
173.13242	0.2
174.03094	0.4
175.03845	2.7
176.04625	2.1
177.05399	2.6
178.04861	0.4
178.06213	6.6
180.07773	0.9
181.04909	1.0
188.04605	0.4
189.05461	2.1
190.06207	23.3
191.03363	6.2
191.06976	1.7
192.04076	0.3
193.08563	15.5
205.04922	0.2
206.05782	7.1
221.08044	100.0
222.08276	0.2
233.15387	0.3
239.09073	0.8
244.57913	0.2
251.16437	0.3
252.92726	0.2
365.12051	1.3
383.13226	7.5
401.14157	0.2
422.72629	0.2
579.95001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18610	0.4
53.03931	0.7
53.09872	0.4
55.01854	0.7
55.05498	5.7
57.03430	16.5
58.69716	0.5
59.04989	2.2
61.02907	0.5
62.46176	0.4
67.05489	7.6
68.05775	0.5
69.03417	2.6
69.07046	2.4
71.01347	0.8
71.04972	83.8
73.02899	2.8
75.04460	4.7
79.05457	5.8
81.03389	0.4
81.07030	11.7
83.04961	7.0
83.08614	2.9
85.02886	100.0
87.04455	4.4
91.05459	10.1
93.07018	10.6
95.04946	1.3
95.08568	8.2
97.02827	0.7
97.06515	0.6
97.10162	0.7
99.04391	0.5
99.08084	0.8
103.05426	0.6
105.03362	0.8
105.07009	13.6
107.08577	9.9
109.06520	0.8
109.10121	6.8
111.04415	4.6
117.06992	5.0
117.22652	0.6
119.08556	8.3
121.06480	1.3
121.10113	6.7
123.04425	0.7
123.11726	0.8
125.05980	3.3
128.06239	0.7
129.05467	16.7
129.06915	5.3
131.08524	9.2
133.06476	0.7
133.10109	8.2
133.95345	0.6
134.79659	0.5
135.07983	1.0
135.11649	5.5
137.05971	0.9
139.07527	0.6
141.06976	2.4
142.07780	1.3
143.08560	5.9
145.06471	0.7
145.10107	11.6
147.06493	3.7
147.08060	1.0
147.11647	7.3
149.13264	2.7
153.05377	1.0
153.06895	0.8
155.08473	5.1
157.06503	0.9
157.10062	6.6
159.08041	2.1
159.11682	9.3
161.09564	0.9
161.13200	6.2
163.07420	0.7
163.11153	2.4
163.14801	0.8
165.05438	2.2
166.07748	0.7
167.07169	0.6
167.08554	1.1
168.09331	1.0
169.10068	4.3
171.07993	0.8
171.11652	2.9
173.13234	2.7
175.07483	5.6
175.14792	1.1
179.08549	1.2
180.09332	0.7
181.10060	6.6
183.08026	0.7
183.11644	6.2
185.09610	0.9
185.13254	2.5
187.14838	1.3
189.09093	2.1
189.16405	1.1
190.06256	0.7
193.08514	1.0
193.10124	0.6
194.11006	0.9
195.11678	4.3
197.09656	0.7
197.13243	3.4
199.11168	1.2
199.14809	4.1
201.09077	1.2
201.12755	0.9
201.16313	2.1
203.10732	0.7
207.11671	0.8
208.08795	0.6
209.09593	2.3
209.13232	3.6
210.15024	0.6
211.11214	2.2
211.14839	2.4
215.10774	1.0
215.17998	3.5
221.08104	2.6
221.13249	2.1
223.11099	0.7
223.14708	0.6
225.16141	0.7
227.10634	7.1
229.12161	6.5
231.17451	0.8
231.21205	0.6
235.14761	0.9
241.12225	3.3
243.13873	1.1
247.13213	0.7
253.12134	0.8
253.19449	2.2
255.13779	2.2
263.17996	0.9
267.23294	0.9
277.19397	1.1
281.15213	0.7
289.19937	0.6
291.21039	3.9
295.20380	0.6
309.22171	2.5
319.20526	3.2
337.21533	42.1
355.22565	47.0
373.23636	29.3
501.28296	3.2
519.29523	5.9
538.38757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01846	0.6
55.05508	5.5
57.03429	29.9
60.25338	0.4
63.73063	0.5
67.05486	6.7
69.03413	3.0
69.07056	2.3
71.04979	5.8
73.02897	15.2
75.04461	100.0
79.05473	7.4
79.59176	0.5
81.07042	10.6
83.04955	5.6
83.08598	2.2
84.58576	0.5
85.02890	14.8
87.04445	7.5
91.05470	11.4
93.07019	11.5
95.04918	1.8
95.08585	9.3
97.02874	0.8
101.05985	2.6
101.37503	0.5
105.03378	1.0
105.07008	16.0
105.32005	0.6
107.08572	12.5
109.02872	0.8
109.06508	2.2
109.10143	6.2
111.04411	3.6
115.03908	0.6
115.05406	0.8
117.06992	8.0
119.08562	12.8
121.06474	3.1
121.10127	7.2
123.04433	1.0
123.11664	0.5
125.05988	4.0
128.06230	2.7
129.05463	2.7
129.06993	4.6
130.07764	1.0
131.02240	0.6
131.08543	11.4
133.06474	0.9
133.10104	10.9
135.08018	0.7
135.11661	4.7
137.05984	0.8
137.09633	0.7
141.06955	2.5
142.07744	2.2
143.08540	10.3
144.09309	0.9
145.06496	1.9
145.10103	14.3
147.06531	0.8
147.08034	1.3
147.11674	9.7
149.06012	0.7
149.13269	2.8
153.05435	2.2
153.07040	0.6
155.08524	6.9
157.06523	0.5
157.10091	9.7
159.08005	0.7
159.11656	11.9
161.09605	1.0
161.13214	9.0
163.07486	1.1
163.11145	3.4
165.05424	3.1
165.06946	0.6
166.07750	0.9
167.08557	2.4
168.09273	2.3
169.10100	6.3
170.10913	0.7
171.08102	1.8
171.11687	4.1
173.09508	0.9
173.13202	4.6
175.07503	5.6
175.14816	1.3
177.09116	1.1
180.09358	0.6
181.10088	6.4
182.10915	0.5
183.08022	0.8
183.11638	7.9
185.09598	0.6
185.13254	3.1
187.07520	0.7
187.11130	0.7
187.14763	2.8
189.09082	2.9
189.16380	1.1
193.10106	1.0
195.08089	0.8
195.11665	4.0
197.09566	0.7
197.13202	5.2
199.14789	3.0
201.09174	1.2
201.12740	0.6
201.16328	1.0
207.11716	1.2
209.09563	2.7
209.13234	3.1
211.11162	2.3
211.14818	3.1
213.16377	2.6
215.10724	0.9
215.17955	3.1
221.13242	2.1
222.13890	0.7
223.14803	2.1
225.12770	0.8
225.16321	0.6
227.10669	5.8
229.12186	7.6
231.17406	6.3
232.17796	2.1
233.13234	0.7
235.14809	2.0
241.12144	2.4
243.13654	1.2
247.13028	0.7
249.16388	1.3
251.17834	1.2
253.19421	2.9
255.13699	2.5
277.19446	2.3
281.15283	1.0
291.20944	4.4
295.20328	0.8
301.19580	0.6
309.18692	0.8
309.22061	3.2
319.20465	6.7
337.21555	43.7
355.22607	55.6
373.23663	38.6
448.17581	0.5
501.28146	1.2
519.29346	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.2
55.01859	0.3
57.03433	0.4
61.02894	0.2
62.96030	0.1
65.03925	1.2
67.05472	0.6
69.03410	1.8
71.04970	0.2
78.04691	1.7
79.05468	1.3
81.03378	0.8
81.07024	0.4
82.04179	0.2
85.02890	2.5
91.05447	1.0
92.08641	0.2
93.03364	0.2
95.04926	1.0
97.02852	0.8
97.06470	0.2
103.05420	1.0
105.07011	0.2
106.04157	1.3
107.04938	1.3
109.02827	0.3
109.10118	0.2
110.03631	0.6
111.04389	0.6
115.04026	0.1
115.05425	3.2
117.06991	6.2
119.08567	0.7
121.02814	0.1
121.06447	0.2
122.03600	0.2
123.03524	0.2
123.04406	6.0
124.05177	2.0
125.05938	0.5
127.03880	0.6
127.05358	0.7
129.06931	0.2
131.04897	0.3
133.06438	0.3
134.03625	0.3
135.04391	0.2
137.05919	0.8
138.02995	0.2
142.02553	0.6
143.04892	0.6
144.05690	0.2
145.02774	0.2
145.06465	11.4
147.08005	0.3
150.05734	0.2
151.03876	1.1
152.04703	2.0
153.05513	0.5
155.06006	3.2
161.05946	0.3
165.05345	0.2
167.07004	100.0
168.04227	0.2
168.07358	0.7
171.06458	1.4
173.05948	21.0
174.06500	0.1
175.07455	0.7
177.05392	0.6
181.04921	22.1
190.06200	0.2
191.06877	0.2
201.05377	1.0
205.08553	4.1
221.07935	0.2
233.08046	4.9
235.07504	0.2
235.09586	2.6
280.07303	0.2
300.80115	0.1
304.88840	0.1
355.11594	0.2
387.14304	8.3
417.15344	5.6
470.60526	0.2
503.66016	0.2
579.20624	35.4
580.21002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83879	0.2
53.03923	0.4
55.01843	0.4
55.05495	0.2
55.88429	0.2
57.03413	0.5
58.39503	0.2
61.02905	0.3
65.03909	1.3
67.05473	0.8
69.03419	2.0
69.07042	0.2
71.04967	0.3
73.44978	0.2
76.35323	0.2
77.03879	0.2
78.04697	1.5
79.05452	1.2
80.66177	0.2
81.03381	1.0
81.07020	0.8
82.04175	0.2
85.02891	2.7
87.04462	0.3
91.05478	1.4
91.82213	0.2
93.03359	0.4
93.07029	0.3
95.04936	1.2
95.08499	0.2
96.05714	0.3
97.02844	1.3
97.06478	0.3
103.05424	1.1
105.03363	0.3
105.07002	0.9
106.04172	1.6
107.04916	1.3
107.08556	0.3
109.10137	1.0
110.03628	0.4
111.04444	0.5
115.05442	2.9
117.06230	0.3
117.07002	6.7
119.04929	0.2
119.08543	0.7
121.10121	0.2
123.04401	5.8
124.05193	2.3
125.05948	0.7
127.03873	0.4
127.05396	0.9
127.11123	0.2
130.04144	0.2
131.04893	0.4
133.10002	0.2
134.03592	0.3
137.05943	0.8
137.09583	0.2
145.06470	11.2
147.04387	0.4
147.08034	1.0
151.03862	1.2
152.04646	2.3
153.05469	0.3
155.06024	3.7
161.05928	0.8
167.07005	100.0
168.07320	0.5
171.06520	2.1
173.05949	19.3
175.03873	0.5
175.07573	0.4
176.08249	0.2
177.05464	0.4
181.04922	23.8
182.05280	0.2
191.06870	0.2
201.05382	0.3
205.08562	4.2
207.06442	0.5
207.10049	0.4
233.08055	4.2
235.09590	2.7
279.06198	0.2
356.12491	0.3
369.09457	0.3
370.10214	0.3
387.14319	7.4
417.15320	5.3
417.20386	0.3
562.20123	0.2
579.20642	32.5
580.21106	0.4
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	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
50.62587	0.4
50.89227	0.4
52.65819	0.5
53.03926	1.2
54.82030	0.6
55.01858	2.2
55.05499	1.0
56.66824	0.5
57.01035	0.6
57.03415	2.9
58.74913	0.4
59.06103	2.8
60.50492	0.6
61.02908	1.1
64.18684	0.5
65.03918	4.8
66.43950	0.4
67.05481	3.3
69.03416	6.3
69.07041	1.0
69.83382	0.5
71.04961	1.4
73.02887	1.1
75.04453	3.2
78.04691	1.3
79.05470	12.4
81.03391	3.2
81.07036	4.1
81.27119	0.5
82.04180	0.8
83.04961	1.4
85.02892	12.0
87.04447	1.1
91.05463	6.4
93.03374	1.3
93.07004	2.4
95.04941	7.7
95.08576	2.4
97.02850	4.9
97.06512	3.7
99.04399	0.9
103.05446	2.3
105.03381	0.9
105.07011	3.7
106.04128	0.6
107.04936	23.9
107.08551	2.3
108.02069	0.8
108.72604	0.5
109.02861	2.4
109.06495	0.9
109.10141	2.1
110.03623	2.6
111.04381	1.0
111.08096	0.7
115.03946	0.6
115.05443	3.6
117.07011	4.3
119.04892	2.7
119.08560	2.9
121.02808	0.6
121.06466	1.1
121.10127	2.2
123.04408	7.6
123.08046	1.2
124.05172	5.9
125.05973	5.6
127.03831	1.0
129.06953	0.9
131.04919	1.1
133.06435	2.4
133.10080	3.2
135.04340	1.1
137.05928	3.7
137.09549	0.6
138.03044	1.2
139.07526	0.9
142.02620	1.2
143.08548	0.8
145.06483	7.7
145.10124	1.1
147.04393	3.1
147.11646	0.7
148.04703	0.7
149.05957	0.8
151.03870	3.8
152.04666	4.9
153.05428	1.3
155.05984	1.3
155.07069	0.7
157.10141	1.0
159.11723	0.7
161.06018	2.0
163.03886	1.0
163.11176	0.8
165.05435	2.2
167.07001	100.0
171.06499	6.7
173.05952	11.0
175.03838	3.2
175.07512	0.8
177.00769	0.6
177.05403	2.4
179.07010	18.0
180.07672	1.3
181.04921	81.0
183.06511	0.8
187.03958	1.0
187.07526	0.7
189.05359	0.7
189.09158	0.8
193.04944	1.1
193.08559	0.8
195.06494	8.0
197.08141	0.7
201.05464	1.2
205.08542	3.3
207.06470	7.3
208.06828	2.7
217.08476	1.1
221.08029	2.3
225.07559	2.5
233.08002	4.8
235.07512	0.6
235.09695	2.2
249.14703	0.6
275.22583	0.5
325.10526	0.9
344.12567	3.2
357.13419	0.7
367.11597	0.8
369.09656	2.8
370.09946	3.7
371.14746	2.4
381.13184	4.1
387.14410	9.2
399.14240	12.9
415.13565	4.2
417.15320	12.5
579.20575	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	578.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41026	4.0
54.80257	4.6
55.01873	8.2
55.05501	31.6
55.43697	4.5
57.03425	10.5
57.07047	5.1
62.33256	5.4
67.05493	63.3
67.48039	4.9
69.07050	12.3
78.43533	4.8
79.05466	71.4
81.07036	73.5
83.04992	7.2
83.08613	11.9
91.05440	19.3
92.09332	19.0
93.07018	94.5
95.04953	8.6
95.08585	84.3
95.76969	5.7
96.99369	5.2
99.04414	6.5
105.07028	11.3
107.04931	10.6
107.08583	62.3
109.10107	9.1
117.07047	18.7
119.08577	9.7
121.10126	30.4
123.40064	4.6
133.10080	9.4
133.73334	6.0
135.11690	73.7
145.10098	49.2
159.11606	6.4
163.11166	63.8
176.60655	5.2
181.12157	10.6
199.84645	5.1
227.12750	65.5
283.15387	46.0
306.90298	5.3
314.69525	6.7
332.55185	6.4
335.25775	100.0
410.22653	7.3
543.36487	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81314	5.6
55.05496	30.1
57.03411	8.5
67.05496	67.1
67.74387	6.3
69.07056	11.9
79.05469	57.4
81.07043	64.4
83.08572	8.6
87.15496	5.0
91.05452	22.6
93.07030	82.6
95.08591	70.2
97.29793	5.4
99.04485	6.5
105.07031	10.4
107.04952	6.1
107.08566	44.0
119.08571	8.9
121.10114	28.7
135.11676	47.8
145.09041	7.6
145.10115	33.0
163.11172	48.5
167.48232	5.6
169.84224	5.0
177.46587	5.4
180.47083	5.0
181.12183	6.3
190.48904	5.1
227.12750	35.2
232.20320	5.4
252.68381	5.0
256.08350	5.9
283.15289	29.9
335.25717	100.0
543.36932	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	578.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57717	1.2
53.32431	1.4
55.01846	2.0
55.05492	2.6
55.19780	1.3
56.96558	1.4
57.03416	1.3
57.07063	3.4
59.04716	2.2
59.04991	44.5
59.05882	1.4
59.06119	23.7
60.04510	2.7
60.05635	10.2
60.08144	2.6
65.03915	2.0
67.05490	35.8
69.03416	100.0
69.07058	1.9
70.03743	2.1
70.41982	1.4
71.04978	7.9
73.06534	6.3
73.56555	1.6
75.81952	1.5
79.05489	1.7
81.07027	8.7
83.04965	1.8
85.06528	10.4
87.04442	14.6
91.05463	6.4
92.08670	2.1
93.07037	3.0
95.04945	58.2
95.08584	7.3
101.05993	2.1
102.18253	1.6
105.07014	3.2
107.08589	7.4
109.10168	3.2
113.05983	85.8
119.08522	2.4
121.10120	2.2
127.07533	9.1
131.08537	2.2
131.18274	1.8
133.10091	2.5
135.11642	6.2
143.08569	2.1
145.08577	53.7
145.09805	2.2
159.11615	3.2
161.13190	3.3
211.14853	2.1
293.22498	2.9
321.21881	2.4
338.21722	2.4
339.23099	17.0
357.24173	8.2
358.24658	2.7
360.66663	2.0
374.23996	2.5
375.25281	25.2
525.25629	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	578.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76625	0.3
53.00303	0.4
55.05483	0.5
56.96566	0.4
57.03428	3.1
57.07071	6.8
57.07332	0.6
59.04994	8.0
59.06116	9.4
60.04506	1.7
60.05626	4.1
60.08142	2.1
65.03925	1.9
67.05492	34.3
68.05817	2.9
68.06135	0.4
69.03416	53.7
69.07043	0.8
69.65836	0.4
70.03745	5.0
70.04072	0.7
71.04975	26.2
72.05302	2.0
73.06528	0.8
79.05469	3.0
81.07040	4.5
83.04964	2.3
83.08611	0.7
85.06529	38.1
86.06834	3.6
87.04443	2.6
89.04729	0.4
91.05464	3.3
92.09390	0.8
93.07023	3.9
95.04946	27.6
95.08586	3.6
96.05271	2.0
98.97551	0.5
99.08047	0.4
101.05956	0.8
105.06995	5.2
106.07352	0.6
107.08588	5.4
109.06493	0.8
109.10141	2.5
113.05991	100.0
114.06319	7.5
117.07041	1.4
119.08582	3.6
121.06508	0.5
121.10125	2.1
125.05949	1.5
127.07513	0.5
129.06958	0.9
130.07352	0.5
131.08551	4.0
132.08879	0.5
133.10091	3.0
135.11687	2.0
137.05910	0.5
143.08548	3.0
144.08823	0.5
145.08585	23.9
145.10081	3.1
146.08878	2.8
146.10536	0.4
147.11684	3.2
149.13239	0.7
155.08568	0.9
156.09186	0.5
157.10101	1.9
159.11674	3.5
160.12083	0.7
161.13225	2.2
163.07568	0.4
168.09293	0.4
169.10062	1.7
171.11638	1.5
173.13217	0.7
175.07506	0.8
177.09064	0.6
181.10065	0.7
183.11676	1.6
184.12047	0.5
185.13173	1.6
187.14809	0.6
195.11752	1.5
197.13222	0.7
199.14853	0.8
201.16328	0.5
209.13098	0.5
210.13684	0.5
211.11134	0.7
211.14789	0.5
227.10577	0.5
229.12210	1.7
231.13843	0.5
231.69638	0.4
236.54805	0.4
241.12364	0.5
257.15256	0.5
277.95172	0.4
279.20886	0.8
291.20963	0.6
293.22617	1.5
304.26416	0.4
309.21985	0.7
321.21951	0.7
337.21448	4.4
338.21884	6.8
339.23111	10.2
355.22623	4.4
356.22916	6.7
357.24152	5.9
373.23648	5.1
374.24042	7.1
375.25211	12.9
376.25726	1.4
450.79477	0.5
451.32339	0.4
483.30786	0.5
495.10818	0.4
501.31982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	4.6
57.07059	1.1
59.04991	18.6
65.03923	0.9
67.05139	1.2
67.05491	27.7
69.03414	100.0
71.04977	9.3
73.06531	1.4
76.62244	0.8
76.70300	0.7
79.05475	1.8
81.07024	4.0
83.04956	4.0
85.06523	4.9
87.04446	8.0
91.05443	4.2
93.07010	4.5
95.04948	39.9
95.08570	3.7
101.68702	0.7
105.07015	6.1
107.08586	5.2
109.10149	1.6
113.05985	67.6
114.06323	1.0
117.06963	1.2
119.08540	4.4
121.10133	1.3
127.07498	4.5
129.06975	1.3
131.08524	4.7
133.10107	3.7
135.11617	1.1
143.08537	3.7
145.08577	23.4
145.10109	5.2
147.11674	1.8
149.13286	1.1
155.08493	1.2
157.10098	1.8
159.11646	4.1
161.13228	1.9
163.07599	0.8
169.10068	1.2
171.11707	1.4
173.13286	1.3
175.07509	1.7
181.10104	1.7
183.11696	1.2
185.13245	1.5
189.08882	0.8
197.13120	1.1
199.14819	1.2
209.09726	0.8
209.13226	1.4
211.11098	0.9
227.10640	3.5
229.12180	1.7
255.13670	1.0
262.17615	0.8
291.21082	0.8
309.22128	1.4
319.20575	1.7
337.21503	20.0
355.22626	22.2
373.23657	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.5
55.01859	1.2
55.05499	2.5
57.03427	4.2
57.07060	3.5
59.04988	34.1
65.03918	2.1
67.05489	33.0
68.05816	0.7
69.03413	100.0
69.07043	3.1
71.04971	14.2
71.59298	0.5
73.02888	0.5
73.06535	4.4
79.05483	4.2
81.07035	8.1
83.04963	4.0
83.08599	1.0
85.02891	3.1
85.06523	13.0
85.72202	0.6
85.77234	0.5
87.04447	16.8
87.04979	0.8
91.05461	7.3
91.80136	0.5
92.08903	5.1
93.07029	8.0
95.04942	48.3
95.08580	7.4
97.06529	0.8
99.08064	1.2
101.06006	4.1
101.76378	0.4
105.07013	9.9
107.08578	8.1
109.06477	2.1
109.10136	4.5
113.05982	75.7
114.06346	2.1
117.06995	3.6
119.08543	7.1
121.06509	0.7
121.10125	4.5
123.08074	0.6
125.05969	1.3
127.07533	8.4
127.11155	0.9
128.06160	0.8
129.06990	3.2
131.08531	6.8
133.10100	5.8
135.11700	2.2
141.06961	1.1
142.07837	2.2
143.08549	5.3
145.06480	0.8
145.08580	26.7
145.10100	5.9
147.08052	0.8
147.11679	4.4
149.13235	2.2
153.05461	0.9
155.08545	3.8
157.10094	6.2
159.08000	0.7
159.11670	6.7
161.13193	4.3
163.07518	2.1
163.11203	0.7
165.12758	0.6
167.08534	0.9
168.09273	0.9
169.10069	2.9
171.11678	2.6
173.13272	2.7
175.07489	3.8
175.14801	0.9
177.09059	0.8
181.10110	3.1
183.11662	5.1
185.13234	2.6
187.07469	0.7
187.14709	0.9
189.09059	0.8
195.08102	0.5
195.11670	3.3
197.13223	1.3
199.14775	2.8
201.09039	0.7
201.16302	0.6
209.09570	0.9
209.13260	2.6
211.11168	1.2
211.14842	0.7
213.16408	0.6
213.86316	0.5
215.17918	0.6
221.13237	0.8
223.11185	0.6
227.10646	2.8
229.12238	2.7
235.14861	1.0
241.12242	1.2
243.13853	0.9
253.19438	1.2
255.13646	1.2
265.18042	1.1
266.18414	0.8
267.13382	0.6
277.19308	0.8
291.21121	2.7
292.30563	0.6
297.22202	0.6
309.22012	1.0
319.20462	2.9
337.21524	19.7
338.21741	0.8
355.22592	21.7
356.22919	0.8
373.23642	24.1
373.28339	0.9
445.64249	0.6
517.31299	2.4
522.59637	0.6
577.24933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.8
53.56717	0.6
57.03416	4.3
57.07052	1.1
59.04988	30.3
65.03917	1.2
67.05489	25.4
69.03416	100.0
69.07081	0.8
71.04976	6.9
73.06542	3.4
79.05449	2.6
81.07030	4.7
83.04969	3.1
85.06533	7.2
85.70302	0.7
87.04452	15.1
91.05463	3.9
93.07018	1.8
95.04949	45.1
95.08572	3.7
99.08064	0.7
101.06010	1.6
105.07008	4.8
107.08575	3.6
108.91575	0.8
109.06496	1.4
109.10139	1.5
113.05988	55.1
119.08556	3.0
121.10104	1.0
127.07507	7.8
129.06982	3.6
131.08513	4.3
133.10110	1.5
143.08565	3.9
145.08583	23.9
145.10045	3.6
147.11642	3.5
155.08543	1.4
157.10109	3.2
159.11658	3.2
161.13187	3.4
168.09439	1.1
169.10068	1.4
171.11555	0.9
175.07520	2.9
181.10086	1.5
183.11707	3.2
185.13277	1.7
195.11679	1.8
199.14751	0.9
209.09682	1.0
209.13182	1.2
213.16521	0.9
227.10626	4.2
229.12218	3.7
241.12161	1.4
255.13763	1.0
291.20941	1.3
309.22000	1.0
319.20621	1.5
334.07333	0.7
337.21555	18.8
355.22586	22.6
373.23709	25.3
488.88644	0.8
492.66736	1.0
499.29791	1.1
517.31451	1.1
584.21088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.6
53.26564	0.4
55.05507	0.7
57.03421	2.5
57.07064	10.8
59.04993	9.4
59.92753	0.5
59.99589	0.4
61.60036	0.4
63.82667	0.5
65.03915	2.2
67.05492	37.4
69.03414	63.5
69.07051	2.3
71.04974	38.4
71.05373	1.0
73.06533	2.2
75.23076	0.5
79.05466	6.0
81.07037	5.8
83.04955	2.5
83.08599	0.6
85.06528	52.4
86.70537	0.5
87.04446	2.9
91.05453	8.3
93.07017	6.4
95.04942	20.0
95.08586	4.3
99.08088	0.6
101.06007	2.1
105.07019	8.6
107.08582	8.3
107.57474	0.6
109.06478	1.0
109.10162	0.9
113.05986	100.0
116.06192	0.7
116.57459	0.5
117.07007	4.1
119.08562	4.8
121.10131	4.4
124.18021	0.5
125.05969	0.6
128.06177	0.8
129.07008	3.3
131.08543	7.1
133.10112	4.3
135.11665	2.1
139.07590	0.6
141.06981	1.1
142.07790	0.9
142.83836	0.6
143.08546	5.3
145.08585	29.4
145.10092	5.5
147.07991	0.6
147.11665	4.6
149.13249	0.7
153.73158	0.5
155.08525	4.5
157.10094	4.6
159.07974	0.7
159.11644	5.1
161.13246	3.4
163.07509	0.8
168.09305	0.9
169.10109	3.1
171.11667	2.0
173.13332	2.0
175.07510	2.9
177.08986	0.7
181.10106	2.3
182.10866	0.9
183.11617	4.1
185.09576	0.7
185.13249	2.6
189.09041	0.8
193.10156	0.6
195.11682	1.0
197.13252	3.6
199.14844	3.2
201.12648	0.7
209.09654	0.8
209.13240	2.3
211.11139	1.1
211.14827	0.9
213.12781	1.0
213.16437	0.9
215.14445	0.6
223.14685	0.7
225.12784	1.1
227.10712	2.4
229.12228	3.1
231.13718	1.1
235.14897	1.1
241.12164	2.2
243.13774	6.9
251.18062	0.6
255.13754	0.7
261.14777	1.1
277.19388	2.1
291.21066	1.2
319.20477	1.0
337.21509	21.9
355.22568	24.6
373.23645	16.4
431.54388	0.6
499.30493	9.0
517.31592	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	577.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.5
55.05498	1.3
56.68163	0.5
57.03419	2.8
57.07071	5.7
59.04716	0.7
59.04992	17.2
65.03901	0.6
67.05494	33.2
69.03064	0.8
69.03416	14.2
69.07021	0.7
71.04975	26.1
71.22952	0.6
73.06544	0.7
78.48952	0.5
79.05455	3.9
81.07040	7.3
83.04958	2.2
83.08621	1.0
85.02892	0.8
85.06531	27.2
87.04457	9.4
91.05463	5.6
93.07040	7.1
94.66460	0.5
95.04949	43.6
95.08579	6.0
99.08052	0.6
101.05998	2.3
105.03384	0.6
105.07020	8.6
107.08566	6.7
109.10143	2.8
113.05991	100.0
116.06161	0.6
117.06996	2.8
119.08573	7.6
121.10139	3.4
125.05972	0.6
127.07557	0.8
129.06975	3.1
131.08551	6.8
133.10097	4.4
135.11679	2.1
141.06967	2.3
143.08571	5.7
145.06725	0.6
145.08578	22.7
145.10101	5.6
146.40251	0.5
147.11658	5.1
149.13220	0.8
155.08534	4.0
157.10124	6.1
159.11681	5.2
161.13208	4.4
163.07465	0.9
163.11099	0.7
167.08533	2.3
168.09322	0.9
169.10112	2.6
171.08066	0.8
171.11664	3.0
173.13217	2.2
175.07550	3.9
175.14822	0.9
177.09087	0.7
179.08492	0.7
181.10091	2.5
182.10788	0.6
183.11644	4.1
185.13242	2.1
187.07416	0.9
189.09084	1.3
195.11722	1.1
197.13223	1.1
199.14767	2.3
201.16455	0.9
203.10616	0.8
209.09612	1.2
209.13208	2.1
211.11101	1.0
211.14754	1.0
213.16512	0.7
215.17975	1.0
227.10651	5.4
229.12164	3.5
235.14587	0.8
237.12802	0.8
241.12228	2.7
243.13765	0.7
253.19521	1.3
255.13670	1.1
277.19418	2.2
291.20874	3.1
295.16953	0.7
309.22089	2.7
319.20477	1.4
337.21536	25.6
355.22626	30.8
373.23685	33.5
517.31757	0.7
599.41797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.03420	4.0
57.07062	6.1
59.04989	8.0
59.84750	0.5
65.03925	0.7
67.05489	35.0
69.03062	0.9
69.03416	15.9
71.04610	1.2
71.04975	23.3
79.05458	3.1
81.07028	4.3
83.04961	1.3
83.08585	1.1
84.05975	0.5
85.02838	0.7
85.06522	32.4
87.04440	5.1
91.05448	6.0
91.69474	0.5
93.07016	6.0
95.04944	36.6
95.08577	3.5
95.45988	0.6
101.06002	1.0
105.06995	8.0
107.08575	5.2
108.68904	0.6
109.06486	0.7
109.10141	1.3
113.05986	100.0
117.06989	2.7
119.08562	6.8
121.06485	0.7
121.10108	3.3
128.06082	0.6
129.06972	3.0
131.08571	4.9
131.09431	0.6
131.36131	0.6
133.10106	4.5
135.11674	2.3
137.05867	0.6
142.07855	0.6
143.08522	3.7
145.08582	14.3
145.10094	4.8
147.07999	1.1
147.11661	5.3
149.13229	1.3
155.08530	2.8
157.10092	2.7
159.11644	4.7
161.13217	3.3
163.07553	0.8
165.06995	0.7
167.08485	1.2
168.09283	0.9
169.10126	2.8
171.11728	2.2
172.88422	0.6
173.13226	0.6
175.07430	2.0
175.14777	0.9
177.09131	1.1
181.10104	2.9
183.11650	3.4
185.09647	0.6
185.13197	2.2
187.07448	0.7
187.14752	0.9
195.11717	1.1
197.13240	1.4
199.14796	1.4
207.11719	0.7
209.09689	0.7
209.13268	0.9
211.11197	0.7
211.14813	0.7
212.52565	0.8
213.09076	0.8
213.16467	2.4
215.10605	0.8
215.17943	2.5
221.13191	0.8
223.14821	0.9
227.10646	3.5
229.12195	3.7
241.12128	1.0
243.13760	0.7
249.16327	1.3
253.19594	1.0
255.13858	2.1
259.32501	0.7
259.35132	0.7
277.19510	0.8
291.20966	3.4
295.17047	0.8
309.22012	2.3
319.20438	3.6
337.18317	0.7
337.21506	27.1
355.22610	27.1
373.23602	31.5
398.32321	0.6
503.52856	0.6
517.31500	0.8
544.53027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.70226	1.4
55.05498	1.5
56.70586	1.4
57.03426	2.5
57.07058	6.3
59.04978	9.7
62.04802	1.2
67.05488	38.3
69.03420	16.1
69.07041	1.4
70.07521	1.3
71.04658	1.7
71.04979	27.9
76.06873	1.2
79.05461	5.7
79.93775	1.2
80.40445	1.4
80.53404	1.6
81.07033	9.4
85.06065	2.1
85.06527	35.1
87.04446	5.8
91.05451	6.9
91.82459	1.6
93.07012	6.8
95.04942	31.8
95.08578	3.5
105.07026	10.4
107.08588	10.0
109.10088	2.1
111.22075	1.4
113.05989	100.0
119.08551	6.2
121.10142	2.5
125.05916	1.8
131.08546	6.1
133.10100	2.8
135.11656	2.3
140.50662	1.7
143.08551	6.7
145.08588	15.6
145.10078	7.3
147.11604	3.1
155.08562	3.3
157.10129	3.0
159.11658	8.5
161.09680	1.7
161.13263	3.6
167.08549	1.9
169.10060	2.9
171.11646	2.9
175.07491	2.4
181.10139	2.1
183.11685	2.6
185.13181	2.3
187.07478	1.4
187.14841	1.5
195.11629	2.3
197.13156	5.8
241.12207	1.7
243.13847	6.9
283.37866	1.7
291.21185	2.6
309.22119	1.8
319.20374	1.4
321.08911	1.5
337.21585	30.0
355.22589	27.8
373.23660	15.9
499.30444	7.4
513.27588	1.9
517.31396	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	577.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.1
55.05495	1.4
57.03417	4.7
57.07068	9.4
59.04990	13.8
63.11887	1.0
65.03905	1.6
67.05494	38.5
69.03416	100.0
71.04600	1.6
71.04976	32.3
73.06525	2.0
75.86939	0.8
79.05468	4.4
81.07016	5.0
83.04942	1.8
84.89414	0.8
85.02891	2.0
85.06529	41.6
85.20570	0.8
87.04463	7.8
91.05457	6.7
92.08611	1.6
93.07020	6.5
95.04946	32.1
95.08580	4.6
99.08082	1.1
101.05995	2.2
105.07022	9.2
107.08585	5.8
109.06504	2.0
109.10125	2.1
113.05988	98.3
117.06970	4.1
119.08534	7.3
120.38853	0.9
121.06471	1.3
121.10105	1.9
127.07503	4.1
129.06952	1.7
131.08525	8.1
133.10101	5.8
135.11635	3.4
141.06932	1.0
143.08548	6.8
145.08575	37.1
145.10077	7.6
147.11673	4.0
150.36150	0.9
155.08545	1.8
157.10068	3.4
159.11635	4.7
160.48117	0.9
161.13202	4.2
169.10098	1.6
171.11626	1.2
175.07532	1.4
181.10132	1.5
183.11653	4.3
185.13177	1.7
187.14746	1.1
197.13022	1.6
199.14798	3.3
201.16364	1.5
209.13193	1.2
227.10736	1.9
229.12247	1.6
241.12149	1.4
252.23947	1.0
253.19569	1.3
255.13759	1.6
269.54248	1.0
291.20908	1.5
309.22131	1.3
319.20493	2.2
337.17758	1.6
337.21558	31.5
355.22592	30.8
373.23651	32.7
409.12250	1.0
455.48013	1.0
517.31268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02434	0.5
54.81544	0.5
55.01857	0.8
55.05507	1.1
57.03430	5.3
57.07064	2.3
59.04990	31.1
65.03922	1.0
67.05494	24.2
69.03415	100.0
69.07053	2.5
71.04971	8.1
71.14268	0.5
73.06535	5.1
73.86397	0.5
79.05488	4.0
81.07038	5.4
83.04956	2.7
83.08588	0.8
85.02879	0.8
85.06534	7.8
87.04450	13.2
91.05457	3.3
92.08595	0.6
93.07025	4.5
95.04947	43.9
95.08595	3.6
97.06542	1.1
99.08092	0.9
101.06010	3.0
105.07024	7.4
107.08563	4.4
109.06476	1.0
109.10153	2.7
113.05987	53.8
117.07000	3.0
119.08560	3.5
121.06490	0.7
121.10138	2.4
127.07512	7.1
129.06967	2.8
131.08542	4.7
133.10120	3.3
135.11644	2.0
141.06934	0.8
143.08533	4.3
145.08585	24.5
145.10081	4.0
147.07994	0.6
147.11671	3.5
149.13251	0.8
155.08478	0.6
157.10141	2.6
159.11664	2.6
161.13208	3.9
167.08408	0.5
169.10062	1.3
171.11627	1.4
173.13292	0.7
175.07506	2.9
175.14809	0.9
181.10081	1.2
183.11662	3.8
185.13269	2.0
195.11708	2.4
197.09775	0.5
197.13213	1.2
199.14909	0.8
209.13174	0.7
211.11096	0.6
211.14751	1.0
215.18027	0.7
223.14813	0.7
225.12602	1.1
227.10663	3.2
229.12201	2.4
235.14749	0.7
243.13861	0.8
249.16183	0.6
253.19589	0.8
255.13780	1.1
269.18912	0.6
291.21048	0.9
309.22162	0.7
319.20377	1.2
337.21567	16.6
355.22586	18.9
373.23685	20.7
495.14099	0.6
517.31500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46180	0.4
53.00309	0.4
53.03935	0.6
53.91208	0.5
54.81862	0.5
55.01860	2.4
55.11217	0.4
56.44523	0.4
57.03428	18.9
59.04995	3.4
60.42924	0.4
61.02916	7.4
69.03416	65.0
70.39563	0.4
71.01352	0.5
71.04971	2.9
73.02885	3.3
75.04457	2.2
81.03402	5.2
81.07011	0.5
82.55916	0.4
83.04956	0.8
85.02891	100.0
87.04454	37.4
91.03941	3.5
95.04928	0.8
97.02872	59.8
99.04435	5.0
101.02352	0.8
103.03896	1.0
109.02856	7.1
115.03913	46.7
121.06530	0.5
123.04368	0.8
127.03899	18.7
133.04942	43.3
134.78249	0.5
137.05933	4.7
145.04933	27.3
150.07576	0.5
151.03928	0.5
163.05977	15.0
165.05428	0.5
167.06985	5.1
169.04845	0.8
241.07053	1.9
259.08044	6.4
265.16299	3.6
277.09100	2.4
295.10205	7.2
325.11179	7.2
354.75702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.8
55.05508	69.6
57.03428	9.7
57.07046	6.6
60.56091	4.1
62.06073	40.0
67.05492	91.7
69.03423	6.0
69.07050	34.6
71.04988	5.2
73.28873	4.7
75.41872	5.7
76.56790	6.1
79.05471	50.8
81.07046	100.0
83.08594	41.5
90.24338	5.0
91.05461	26.5
92.08613	10.8
93.07001	52.4
95.08576	60.2
97.06547	6.4
97.10149	96.2
105.07034	21.3
107.08573	53.0
109.10137	38.0
111.08065	9.3
119.08543	11.8
121.10110	36.8
124.41508	6.2
125.09606	54.1
129.63333	5.2
131.08534	10.7
133.10161	5.5
135.11684	21.3
145.10117	6.3
146.14766	4.9
147.11592	7.1
149.13187	8.3
161.13271	7.3
167.28761	4.9
171.22612	5.5
188.10809	5.7
189.11186	43.3
227.12807	10.2
261.21909	7.8
279.23187	25.5
297.24225	10.0
431.31311	33.6
449.32623	12.0
482.33215	5.7
505.35098	12.4
523.36255	59.0
541.37219	49.3
591.22168	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	575.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.8
57.03418	4.7
57.07069	7.3
59.04987	6.4
59.06115	2.4
65.03923	2.9
67.05492	38.1
69.03413	22.1
69.07046	0.9
71.04976	30.6
73.06523	1.0
77.06047	0.5
79.05474	3.4
81.07045	5.3
83.04968	1.2
83.08583	0.9
85.06527	39.3
87.04434	2.5
91.05447	2.9
93.07034	4.7
95.04947	32.8
95.05582	0.9
95.08588	3.9
98.97551	4.4
99.08060	0.7
101.05976	1.1
105.07008	5.8
107.08583	3.9
109.10120	0.6
113.05988	100.0
116.98618	3.3
117.07021	0.7
119.08572	3.4
121.06419	0.7
121.10101	2.9
125.06015	0.9
129.06956	2.5
131.08545	3.3
133.10088	0.9
134.99684	2.5
143.00159	0.9
143.08557	2.9
145.08582	15.9
145.10094	3.4
147.11734	0.9
155.08549	1.0
157.10106	2.3
159.11732	0.8
161.01257	0.8
165.05420	1.2
169.10136	0.6
171.11629	0.7
173.13214	0.9
175.14832	0.6
181.10081	1.0
183.11638	1.2
185.13191	1.3
195.11713	1.0
199.14917	0.7
201.16351	0.7
227.10504	1.0
227.17940	2.5
241.12231	0.6
286.38885	0.7
325.21506	0.8
335.20035	5.4
353.21072	22.2
371.22272	6.7
431.24191	2.7
453.70728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89631	1.2
51.19037	1.2
52.97566	1.1
53.03937	2.2
55.05497	6.3
57.03419	2.7
59.04988	1.9
61.02910	2.8
67.05489	15.5
69.03413	23.5
69.07044	6.1
71.04967	1.9
79.05469	15.5
81.03384	2.6
81.06590	2.7
81.07042	52.3
83.08598	2.8
85.02893	15.5
87.04458	5.6
91.05431	12.8
92.08778	7.9
93.07016	20.3
95.04958	1.8
95.08580	24.5
97.02877	10.6
97.06513	1.6
105.07005	30.3
107.08572	19.7
109.02859	1.4
109.06496	6.0
109.10150	21.6
117.07001	7.1
119.08540	25.3
120.56490	1.5
121.10123	7.1
123.08024	2.8
123.11665	1.4
127.03912	6.5
128.06175	2.6
129.06972	7.1
130.07771	2.2
131.08553	15.0
133.10089	12.2
135.11665	6.9
137.09595	17.2
141.06979	2.9
142.07751	2.8
143.08530	21.8
145.10103	46.4
147.08015	1.6
147.11639	14.9
149.13148	1.6
151.11082	2.4
155.08588	10.1
156.09312	2.6
157.10095	25.2
159.11655	26.3
161.13234	8.1
167.08504	1.7
169.10114	12.0
171.11613	18.8
173.13243	13.9
175.11102	2.0
181.10062	2.9
183.11739	12.4
185.13174	13.8
187.11073	1.8
187.14812	2.7
189.12682	2.3
194.10947	1.9
195.11688	11.2
197.13219	16.5
199.14792	14.3
201.12701	2.1
208.12328	1.6
209.13231	13.6
211.14821	9.7
213.16373	7.4
215.14351	5.4
223.14725	14.4
225.16359	3.6
227.17966	3.2
231.11200	1.6
235.14853	2.1
237.16319	17.8
239.17856	11.7
241.15758	2.4
253.19366	7.6
254.20354	2.7
255.17313	11.7
255.21062	16.7
269.22543	2.3
279.21024	49.3
297.22061	100.0
315.23111	38.6
459.27231	3.5
477.28146	3.2
539.22797	7.1
557.23975	9.8
575.31061	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	574.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.6
53.03936	0.6
53.98744	0.3
55.01855	2.5
55.05505	11.2
57.03428	22.1
59.04991	4.7
59.83404	0.4
61.02905	7.0
69.03415	71.6
71.01335	0.5
71.04973	2.5
73.02901	4.0
75.04460	2.2
81.03407	5.9
81.07034	0.9
83.04967	0.7
83.08604	22.5
85.02889	100.0
87.04452	44.8
91.03918	3.3
92.93880	0.5
95.08588	0.6
97.02873	66.9
99.04404	3.9
101.09638	18.2
101.10274	0.7
103.03922	0.9
104.75752	0.4
109.02856	6.5
111.08049	0.7
115.03911	54.6
123.04442	1.1
123.08016	0.4
125.09604	0.5
127.03893	17.8
129.05464	0.4
129.63487	0.4
131.28233	0.4
133.04942	45.2
137.06003	0.6
141.09067	0.5
145.04941	23.3
150.07657	0.7
163.05965	7.1
169.04979	1.0
187.06088	0.5
197.11726	1.9
209.11768	0.7
227.12741	0.5
229.06984	0.6
233.13934	1.1
241.07092	2.1
259.08069	6.3
263.14859	2.2
277.09219	3.2
289.09109	1.0
295.10168	5.5
325.11227	7.1
476.86584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.9
55.01863	1.3
55.05504	8.8
57.03424	6.7
57.07067	73.5
59.27634	0.5
59.39245	0.5
61.02900	0.7
67.05490	19.0
67.97722	0.5
69.03412	1.2
69.07053	13.3
71.04977	0.9
71.08614	52.8
73.02907	0.9
75.04451	2.8
79.05462	2.8
81.03380	2.5
81.07034	25.4
83.08601	17.2
85.02882	1.2
85.06526	1.0
85.10165	29.8
89.06002	0.8
90.90452	0.6
92.08551	1.2
93.07018	2.3
95.08582	43.5
97.02868	1.1
97.10144	9.6
97.82028	0.6
99.04424	2.8
99.08072	0.9
99.11705	1.1
102.70308	0.6
107.08603	1.2
109.02865	5.6
109.10139	16.5
110.03628	2.5
111.04423	0.6
111.11683	1.1
121.10143	0.7
123.11677	7.4
123.37257	0.7
123.59497	0.6
125.13242	0.7
127.03925	1.4
131.67436	0.6
137.13191	2.1
151.00412	0.6
165.16405	0.7
191.00075	2.5
221.22665	0.8
225.81960	0.6
239.23639	24.0
257.24686	6.3
266.96350	0.6
297.53696	0.6
313.27289	100.0
314.27670	1.0
331.28348	24.1
458.02457	0.6
465.25113	2.2
539.28680	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	574.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
57.03432	3.6
61.66735	0.3
65.03900	0.3
66.22834	0.3
69.03395	2.0
75.04454	2.3
80.96477	0.3
81.03398	0.5
83.04961	0.6
84.21449	0.3
85.02881	4.6
87.04451	0.4
91.05446	2.3
92.64477	0.3
93.28556	0.3
93.62580	0.3
94.04158	0.9
95.04928	1.8
97.02872	1.4
103.05435	0.6
105.07014	0.6
107.04939	0.6
109.06558	0.4
110.03625	1.8
111.04414	1.7
113.60817	0.4
119.04897	0.7
121.06477	4.3
122.03619	4.9
123.04427	0.6
125.05966	3.6
131.04860	3.0
133.02835	0.6
134.03586	0.7
135.04378	0.6
135.08029	0.5
135.39703	0.3
137.05949	100.0
145.06483	0.5
147.04369	0.6
149.05956	12.7
150.34076	0.4
151.07521	8.5
152.06134	0.6
153.06940	8.2
161.05972	0.6
163.03853	0.9
163.07494	6.2
165.06915	1.3
167.08516	0.7
169.06392	0.4
170.07222	0.4
175.07506	0.6
179.06990	0.7
179.08437	0.4
181.04919	0.7
181.06450	14.5
181.19261	0.4
182.07214	0.6
183.07991	0.8
185.09596	0.4
187.07582	0.4
193.08607	0.4
195.08051	2.9
197.05975	2.8
198.06729	2.0
199.09537	0.5
207.04366	2.0
209.05936	4.0
211.07532	4.1
211.09650	2.3
212.08282	0.4
213.09062	12.1
221.05939	0.8
223.07539	1.4
225.05405	1.5
225.09018	1.8
226.06171	0.6
227.06969	0.6
227.10751	0.4
229.08519	0.7
237.02408	0.4
237.11151	1.6
239.06998	3.0
241.08524	13.1
242.09242	0.8
243.06531	0.4
245.11607	0.4
251.10588	0.4
253.08492	1.8
255.10205	0.7
257.07999	0.5
258.08798	34.0
270.08585	0.6
271.09552	5.0
272.10355	53.9
273.11133	22.3
273.13507	0.4
279.10165	0.4
284.10413	0.6
285.11154	1.5
311.12656	2.2
314.11514	1.5
329.13876	0.8
347.14810	45.7
358.51810	0.5
359.14841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16893	0.3
57.03424	3.7
57.35814	0.3
61.02894	0.4
65.18374	0.4
66.56158	0.4
69.03398	1.8
75.04458	0.6
79.05473	1.7
81.03378	0.6
81.07008	0.5
83.04930	0.5
85.02885	3.8
87.04412	0.5
91.05466	1.8
92.09303	0.5
94.04150	0.6
95.04935	0.8
95.08612	0.4
97.02850	1.8
97.81382	0.4
103.05437	1.8
105.07003	0.5
107.04942	0.9
107.08555	0.4
109.02847	0.5
109.06489	0.6
110.03635	0.4
111.04413	0.9
112.94147	0.4
115.03887	0.6
117.06921	0.6
119.04928	2.2
121.06493	3.3
122.03593	3.9
123.04381	0.5
125.05951	3.6
131.04893	4.8
133.02843	0.6
133.06458	0.6
133.86475	0.4
134.03619	0.7
135.04416	0.6
135.78465	0.5
137.05949	100.0
145.06471	2.0
147.04413	1.6
149.05977	9.5
151.07501	6.2
153.05711	0.5
153.06963	4.7
161.05931	1.9
162.06747	0.4
163.03874	3.2
163.07504	8.5
165.07013	0.8
167.08452	0.5
169.06392	0.5
175.07489	0.6
177.09029	0.9
177.96486	0.4
179.06995	0.8
181.06438	11.4
183.08032	0.6
187.07463	0.7
193.06389	0.6
195.08028	2.2
197.05916	1.0
198.06741	1.9
199.09558	0.6
203.07132	0.4
205.08571	4.9
207.04356	1.7
209.05917	3.4
211.07512	4.0
211.09645	3.2
213.09042	10.3
217.49515	0.5
221.05928	0.6
223.07436	0.7
225.05392	2.0
227.10402	0.5
229.08574	0.5
237.11201	2.0
239.06975	1.9
241.08553	9.4
242.09454	0.7
253.08498	2.6
255.10208	0.7
257.08011	0.7
258.08804	23.6
270.08841	0.6
271.09604	3.8
272.10361	37.3
273.11139	15.3
279.10046	0.6
285.11273	0.9
308.13751	0.5
311.12680	1.7
314.11569	0.6
329.13657	4.3
347.14801	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	574.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
53.60323	0.2
54.52460	0.2
55.01860	0.4
55.05530	0.2
57.03413	0.8
58.11378	0.2
59.04966	0.2
61.02904	0.2
65.03926	3.1
66.21349	0.2
67.05482	1.5
69.03136	0.2
69.03419	3.5
69.07031	0.3
70.95941	0.2
71.04958	0.8
73.02917	0.2
79.05465	0.3
81.03403	5.5
81.07021	0.3
82.04176	0.9
83.08613	0.3
85.02893	6.2
87.04440	0.4
91.05453	2.1
92.92590	0.2
93.03378	1.1
93.06987	0.3
95.04944	2.1
97.02866	2.5
97.06477	1.2
99.04398	0.7
105.03395	0.2
105.07016	0.2
107.04892	0.4
107.08601	0.2
108.02113	0.3
109.02850	2.0
109.06491	0.8
109.10123	0.2
110.03641	2.3
111.04415	1.2
115.03878	0.4
119.04917	4.7
119.81650	0.2
121.06464	0.2
122.03617	0.3
123.04417	1.7
125.05961	1.2
127.03887	1.2
129.95793	0.2
133.04950	0.9
133.10023	0.2
135.04285	0.2
137.05956	16.5
138.03082	1.1
140.04659	7.7
142.02618	1.9
145.04979	0.4
147.04388	10.5
151.03882	0.4
153.05447	1.7
155.07001	2.6
165.05487	0.3
166.02484	0.2
167.06979	0.8
171.06496	5.4
173.05864	0.2
177.05440	0.8
179.07014	3.5
181.04924	100.0
182.05289	0.4
197.08047	1.0
199.06004	4.6
222.90660	0.2
325.09106	4.5
343.10184	5.8
359.53781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43261	0.4
56.73523	0.5
64.38887	0.6
64.56132	0.5
72.35464	0.5
77.72941	0.5
82.20309	0.5
82.68459	0.5
92.08662	2.2
95.61655	0.5
112.37054	0.7
131.44623	0.5
187.89313	0.6
221.05246	0.7
221.58762	0.5
249.47334	0.6
573.28156	100.0
574.28412	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	573.2818
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
54.87351	1.2
55.05511	1.5
57.11961	1.4
57.43651	1.2
59.06114	18.3
60.34405	1.3
64.31137	1.1
67.05501	1.2
69.03409	2.0
79.05447	1.3
81.07030	2.3
85.06560	1.4
92.09238	2.7
95.04980	2.0
95.08562	1.7
113.05987	6.7
121.10143	1.8
124.69030	1.4
131.08624	1.5
159.30746	1.6
171.82269	1.4
175.60432	1.3
225.72076	1.8
273.84094	1.3
300.65823	1.4
573.28131	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	573.303
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05507	6.1
57.03210	0.6
57.03430	9.3
57.07066	47.8
67.05484	9.3
69.07051	7.4
69.48308	0.7
71.08611	32.8
79.05484	0.9
79.65114	0.6
81.03400	6.1
81.07036	13.4
81.37542	0.7
83.08604	10.1
85.02881	1.2
85.10171	14.3
89.06004	0.8
92.92077	0.7
93.06992	1.1
95.08579	17.3
97.10136	3.9
98.98444	41.7
103.07497	0.9
107.08577	0.8
109.02855	5.2
109.10162	9.1
113.10770	0.8
116.99455	1.0
123.11669	1.7
155.01019	23.3
161.13039	0.7
171.00273	0.7
173.02110	1.2
173.68546	0.7
182.01120	0.8
185.08017	1.0
187.14844	0.7
239.23680	3.3
261.03641	1.3
313.27307	100.0
314.27875	1.6
317.05991	0.9
335.07510	1.0
393.23953	5.2
401.28806	1.4
537.27740	3.8
545.78375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2661
Annotation	Artoindonesianin A
Peak:m/z	Relative Intensity
52.99660	0.5
56.53164	0.5
60.87240	0.5
78.58927	0.5
85.44634	0.5
92.86934	0.6
105.98185	0.6
141.89764	0.5
391.15289	0.8
392.50314	0.7
571.26575	100.0
572.26672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.3
57.07068	36.7
62.07675	2.8
67.05512	3.4
69.07049	3.7
71.08619	28.8
73.06533	13.7
73.13065	2.7
81.07042	5.1
83.08562	5.5
85.10174	21.0
87.04459	7.3
89.06017	100.0
95.08598	4.6
100.10187	3.4
133.08586	29.0
133.10124	3.6
144.75966	3.8
177.11209	13.7
229.21481	5.7
273.24414	3.8
555.41040	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	571.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47218	1.1
54.93781	1.0
55.50436	0.9
59.55855	1.1
61.90680	1.1
64.33329	1.3
66.40397	1.0
67.05474	1.1
67.27168	0.9
83.43395	0.9
87.06416	1.0
92.08720	1.1
93.07062	1.2
95.04931	1.3
113.05956	1.2
116.38885	1.1
131.08635	1.3
178.76955	1.0
200.57774	1.0
294.77313	1.1
340.60107	1.1
379.75095	1.1
571.26544	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	571.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.8
64.80134	2.3
67.05495	15.1
69.03421	6.6
69.07053	14.3
71.04976	10.4
74.56490	2.3
79.05472	14.2
81.07039	30.0
83.04987	10.8
83.08588	4.7
85.02898	5.7
85.06536	4.6
87.04443	3.1
91.05476	4.3
93.07034	30.0
95.04951	3.3
95.08593	18.0
99.07980	3.2
105.07005	26.3
107.04961	3.8
107.08560	28.4
109.06507	3.4
109.10155	29.3
113.05989	2.7
119.08556	30.9
121.06486	5.5
121.10115	30.0
123.11677	11.0
131.08565	3.4
133.10095	54.2
133.11018	3.4
135.11684	6.5
137.09596	31.0
139.11147	5.8
144.50256	2.4
145.10085	4.3
147.08025	5.0
147.11694	12.9
149.13203	2.7
151.11151	5.4
157.10081	3.1
159.11714	4.4
161.09607	3.7
161.13254	5.1
175.14789	24.8
201.16309	2.8
203.14320	3.7
213.07628	2.7
242.72179	2.5
259.04352	2.8
259.20557	16.6
277.21561	100.0
278.21915	3.1
320.17792	2.9
339.30371	3.3
571.28119	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	570.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34922	1.8
54.81856	2.1
55.05496	3.2
57.07064	72.5
59.86923	1.7
67.05493	3.8
69.07030	9.9
71.08616	58.1
79.05476	3.0
81.07041	2.5
81.63368	1.9
85.10163	29.1
87.04442	4.2
89.06009	100.0
91.05457	5.1
93.07011	3.5
93.81685	2.0
95.08586	3.8
97.10126	3.0
99.11745	2.2
105.06944	2.0
107.07041	4.8
110.93755	1.9
117.09081	2.5
133.08577	35.8
177.11191	18.9
271.26242	4.0
283.17303	2.6
371.22897	16.9
478.01639	2.9
553.42841	32.6
570.44836	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	570.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05500	3.9
57.03426	3.8
57.07069	0.3
59.04717	0.2
59.04988	6.6
59.43801	0.2
67.05497	1.8
69.03403	0.9
69.07055	0.4
71.01344	0.3
71.04975	3.0
75.04448	0.3
77.06026	1.0
79.05476	2.3
81.07037	3.0
81.95737	0.2
83.04962	8.0
83.05431	0.4
83.08611	0.4
85.02888	28.1
85.06529	11.8
85.07066	0.2
87.04448	100.0
87.08065	0.2
88.04769	0.3
91.05461	2.1
93.07027	3.5
95.04958	0.2
95.08582	4.6
96.32092	0.2
97.06507	0.4
97.41597	0.2
99.04434	3.3
101.05995	0.5
101.41998	0.2
103.03923	0.9
105.07011	4.4
107.08576	4.2
109.10149	2.3
111.04420	10.9
111.08074	0.2
111.61253	0.2
113.05969	0.3
114.96456	0.2
115.07552	1.8
117.05479	0.8
117.07008	1.3
119.08565	3.5
121.06455	0.3
121.10114	4.8
123.08003	0.2
123.11684	0.8
125.05942	0.4
129.05458	11.8
129.07002	0.5
131.08553	3.1
133.10098	5.3
135.11661	3.0
143.07016	4.6
143.08488	1.8
145.10103	4.8
147.11659	5.8
149.09621	0.4
149.13213	1.5
151.11174	0.3
154.74638	0.3
154.75955	0.2
154.98024	0.3
155.08508	0.4
157.10075	2.2
159.08060	0.4
159.11647	3.7
161.08058	0.4
161.13239	5.3
163.11121	0.4
163.14775	0.4
165.09068	0.3
169.10094	1.5
171.11676	2.2
173.13136	1.5
175.07533	0.9
175.11121	1.7
175.14777	1.6
177.09135	0.3
177.12756	0.4
178.10867	0.3
181.10060	0.3
183.11681	1.2
185.13217	2.7
187.14813	1.2
189.12785	0.5
191.10699	0.2
193.12178	0.8
195.11711	0.3
197.13252	1.4
199.14838	1.1
201.12675	0.3
203.10640	3.3
205.12155	0.4
207.13800	0.4
209.13188	0.4
211.14857	0.8
213.16344	0.9
221.11661	11.6
223.14751	0.3
225.16391	0.4
229.12177	0.4
231.13872	0.9
235.14912	0.3
237.16437	0.3
239.17923	0.9
243.13747	0.3
251.17827	0.4
253.19514	1.3
255.21051	2.8
257.15439	0.9
257.22552	0.4
261.02722	0.2
279.21066	2.7
293.22632	0.9
297.18781	0.2
297.22107	1.0
303.21133	0.4
311.23538	0.4
315.23331	0.2
321.22162	1.2
322.08463	0.2
333.85602	0.2
339.23126	15.3
350.65451	0.2
357.24155	22.8
358.24435	0.2
366.16113	0.2
366.20926	0.3
373.23788	0.9
375.25195	8.8
467.28015	0.2
525.35040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
54.28292	0.5
55.01862	2.8
55.05495	3.8
57.03423	5.4
61.02904	3.8
67.05489	11.2
69.03414	14.6
69.07053	3.5
70.06564	1.1
71.04967	3.4
73.02888	1.1
78.08813	0.7
79.05051	0.9
79.05473	14.3
81.03390	7.9
81.07036	20.1
83.04956	9.9
83.08610	1.7
85.02887	35.3
85.06519	1.4
87.04442	4.7
91.03907	0.9
91.05460	11.4
92.09016	4.6
93.06484	1.2
93.07028	21.5
95.04952	5.9
95.08578	21.9
97.02860	11.3
97.06474	1.4
97.10148	1.4
99.04445	3.6
99.08065	0.9
105.07012	29.4
107.04956	1.3
107.08578	20.4
109.02867	5.7
109.06522	2.8
109.10133	13.3
111.04394	1.0
111.08072	0.8
115.03879	0.9
117.06984	5.8
119.04919	0.9
119.08566	20.0
121.06473	2.8
121.10117	21.6
121.83080	0.7
123.04340	1.4
123.11671	4.4
125.02314	9.5
125.05970	1.3
127.03898	7.3
127.07488	0.9
128.06223	1.3
129.06989	5.7
131.08537	13.3
133.04930	2.5
133.10114	14.6
135.08064	1.7
135.11670	13.0
137.05928	1.7
137.09590	1.2
139.03893	4.7
141.05354	0.9
141.06950	2.9
141.09018	0.7
143.08585	8.6
145.04933	4.5
145.06352	0.8
145.10101	14.2
147.04407	1.4
147.08005	3.7
147.11658	12.5
149.05989	1.7
149.09650	1.0
149.13232	7.8
151.11084	0.9
153.05475	2.7
155.08534	4.8
157.06458	1.0
157.10098	8.3
159.08005	2.6
159.11668	13.2
161.05939	1.0
161.09587	1.3
161.13217	18.5
163.07478	3.3
163.11156	1.0
163.14804	0.9
165.09087	1.6
167.07050	1.5
167.08490	1.4
167.10690	1.1
168.09317	0.9
169.10071	3.7
171.08040	1.0
171.11644	5.0
173.05931	1.0
173.09531	0.9
173.13220	5.9
175.07503	3.3
175.11099	0.7
175.14786	3.3
177.09087	0.8
179.08679	0.8
179.10477	1.0
181.04913	1.5
181.10075	3.4
183.11653	9.4
185.09569	1.5
185.13237	4.0
187.07420	1.4
187.11101	1.5
187.14822	2.9
189.09030	1.4
195.11690	4.1
197.13197	3.8
199.11148	1.2
199.14821	1.5
201.09122	1.5
201.12666	2.8
203.10701	4.0
209.13205	3.3
211.11113	1.3
211.14835	2.6
213.16324	1.7
214.94635	0.7
215.10658	1.7
215.17886	18.7
219.10091	1.5
219.13629	0.7
223.13211	4.0
223.16855	1.4
227.10728	1.7
229.12114	5.5
229.19492	12.4
233.11713	0.9
241.14302	3.3
241.17839	1.2
243.13696	0.9
249.16325	1.0
251.17834	0.9
253.19528	1.0
255.13762	1.2
259.18994	0.9
265.19446	1.7
273.14822	1.0
277.19492	2.8
291.20969	3.2
309.22040	2.8
311.19998	1.3
319.20413	2.9
337.21494	23.5
355.22598	100.0
356.22873	0.8
373.23578	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	570.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75117	0.6
55.01861	1.5
55.05497	4.1
57.03415	1.2
61.02907	1.1
63.84190	0.6
67.05494	8.3
68.02551	0.7
69.03409	7.1
69.07042	4.4
71.04966	1.1
79.04998	0.9
79.05466	27.9
81.03404	2.8
81.07034	16.7
83.04977	2.8
83.08595	3.1
85.02885	18.7
85.06553	1.2
86.17471	0.6
87.04433	1.2
91.05451	15.4
93.07011	17.2
95.04939	3.7
95.08573	15.6
97.02845	5.0
97.06495	3.3
99.04420	1.0
101.02333	0.7
105.06999	34.0
107.04918	2.7
107.08569	100.0
109.02843	1.0
109.06482	4.7
109.10130	5.5
111.08060	0.7
113.05955	0.7
115.03886	0.9
117.06988	12.0
117.52950	0.6
119.08542	16.9
121.06467	3.6
121.10105	10.0
123.08031	1.4
123.11670	1.2
125.09629	0.7
127.03908	3.3
129.06989	6.4
130.07787	1.6
131.04918	1.0
131.08533	42.7
133.06454	2.5
133.10095	14.5
135.07997	1.7
135.11655	5.5
137.06046	0.8
137.09631	1.2
141.06932	2.6
143.08521	14.5
145.10094	65.4
147.04369	4.5
147.08040	3.1
147.11647	21.8
149.05957	0.8
149.09583	6.5
149.13234	2.8
151.11194	1.2
155.08522	4.6
157.10083	12.4
159.08031	4.6
159.11665	20.5
161.09596	10.3
161.13185	5.2
163.11127	5.1
163.14780	1.0
165.12746	4.1
167.08522	0.9
169.10103	6.4
171.07979	0.9
171.11618	8.2
173.09576	38.7
173.13158	5.6
175.11127	13.0
177.05388	1.1
177.09006	1.4
177.12735	7.0
181.10045	1.4
183.11618	5.6
185.09607	1.4
185.13261	2.7
187.11147	7.7
189.09068	3.1
189.12727	3.2
191.10638	22.6
191.14241	6.2
193.10088	1.0
195.11617	1.3
197.09552	1.1
197.13266	3.0
199.14742	1.5
201.09056	0.8
201.12677	1.3
203.10632	3.4
207.11723	1.1
209.13345	2.0
209.15250	1.5
211.11095	2.6
211.14792	2.4
215.10640	4.1
221.13199	0.9
223.20457	0.9
225.12701	1.1
229.12189	2.8
235.14845	1.4
241.17953	1.0
241.21576	0.8
243.13742	1.3
249.16136	0.8
251.17880	1.2
253.19426	20.3
271.20511	15.5
277.19391	1.7
289.21570	4.5
291.21057	3.2
293.22607	1.3
295.20486	2.4
301.19614	1.3
309.22003	2.9
319.20578	8.6
327.22879	0.9
334.72333	0.7
337.21518	28.2
355.22556	48.0
373.23633	86.7
391.24683	44.5
391.29782	1.6
409.25784	6.4
460.55750	0.8
590.12073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75117	0.6
55.01861	1.5
55.05497	4.1
57.03415	1.2
61.02907	1.1
63.84190	0.6
67.05494	8.3
68.02551	0.7
69.03409	7.1
69.07042	4.4
71.04966	1.1
79.04998	0.9
79.05466	27.9
81.03404	2.8
81.07034	16.7
83.04977	2.8
83.08595	3.1
85.02885	18.7
85.06553	1.2
86.17471	0.6
87.04433	1.2
91.05451	15.4
93.07011	17.2
95.04939	3.7
95.08573	15.6
97.02845	5.0
97.06495	3.3
99.04420	1.0
101.02333	0.7
105.06999	34.0
107.04918	2.7
107.08569	100.0
109.02843	1.0
109.06482	4.7
109.10130	5.5
111.08060	0.7
113.05955	0.7
115.03886	0.9
117.06988	12.0
117.52950	0.6
119.08542	16.9
121.06467	3.6
121.10105	10.0
123.08031	1.4
123.11670	1.2
125.09629	0.7
127.03908	3.3
129.06989	6.4
130.07787	1.6
131.04918	1.0
131.08533	42.7
133.06454	2.5
133.10095	14.5
135.07997	1.7
135.11655	5.5
137.06046	0.8
137.09631	1.2
141.06932	2.6
143.08521	14.5
145.10094	65.4
147.04369	4.5
147.08040	3.1
147.11647	21.8
149.05957	0.8
149.09583	6.5
149.13234	2.8
151.11194	1.2
155.08522	4.6
157.10083	12.4
159.08031	4.6
159.11665	20.5
161.09596	10.3
161.13185	5.2
163.11127	5.1
163.14780	1.0
165.12746	4.1
167.08522	0.9
169.10103	6.4
171.07979	0.9
171.11618	8.2
173.09576	38.7
173.13158	5.6
175.11127	13.0
177.05388	1.1
177.09006	1.4
177.12735	7.0
181.10045	1.4
183.11618	5.6
185.09607	1.4
185.13261	2.7
187.11147	7.7
189.09068	3.1
189.12727	3.2
191.10638	22.6
191.14241	6.2
193.10088	1.0
195.11617	1.3
197.09552	1.1
197.13266	3.0
199.14742	1.5
201.09056	0.8
201.12677	1.3
203.10632	3.4
207.11723	1.1
209.13345	2.0
209.15250	1.5
211.11095	2.6
211.14792	2.4
215.10640	4.1
221.13199	0.9
223.20457	0.9
225.12701	1.1
229.12189	2.8
235.14845	1.4
241.17953	1.0
241.21576	0.8
243.13742	1.3
249.16136	0.8
251.17880	1.2
253.19426	20.3
271.20511	15.5
277.19391	1.7
289.21570	4.5
291.21057	3.2
293.22607	1.3
295.20486	2.4
301.19614	1.3
309.22003	2.9
319.20578	8.6
327.22879	0.9
334.72333	0.7
337.21518	28.2
355.22556	48.0
373.23633	86.7
391.24683	44.5
391.29782	1.6
409.25784	6.4
460.55750	0.8
590.12073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18565	0.3
50.47787	0.2
52.84710	0.3
53.00283	0.3
53.03929	0.8
55.00869	0.3
55.01854	1.7
55.05497	2.7
57.03424	4.1
59.04986	1.4
60.80858	0.3
61.02892	0.4
67.05496	2.2
69.03061	0.6
69.03411	10.8
69.07040	1.5
71.04964	0.7
73.02897	0.4
73.06543	0.3
75.04465	0.6
79.05465	2.1
81.03382	2.4
81.07040	3.3
83.04963	34.1
83.08611	0.4
85.02887	21.8
85.06522	1.6
87.04446	5.0
91.05453	4.0
92.08667	0.4
93.07018	3.2
93.07529	0.4
95.03928	0.3
95.04933	1.8
95.08596	2.6
97.02870	7.8
97.06504	2.8
98.04257	0.3
99.04440	0.7
99.08075	0.7
103.05441	0.8
105.07004	3.7
107.04919	3.9
107.08567	2.6
109.02853	1.4
109.06492	1.8
109.10132	1.9
111.04400	0.5
111.08070	0.6
115.03911	4.3
115.05493	0.4
115.07533	1.4
117.03337	1.5
117.06991	0.8
119.04939	2.6
119.08534	2.4
121.06462	2.4
121.10123	1.9
123.04350	0.4
123.08040	1.6
125.05970	4.1
125.09655	1.2
127.03877	1.9
127.07591	0.4
129.06987	0.5
131.04883	0.4
131.08511	0.7
133.02818	2.0
133.04950	3.3
133.06450	1.2
133.10132	2.0
135.08017	1.7
135.11662	1.4
137.05960	4.3
137.09581	1.8
138.09196	0.3
139.11154	100.0
141.06956	0.5
141.09081	9.4
143.07050	1.2
143.08556	0.4
145.02831	3.3
145.04915	0.6
145.10123	1.4
147.04366	3.7
147.08043	0.5
147.11694	1.4
149.05946	1.5
149.09608	1.4
151.03883	1.8
151.07533	0.7
153.12715	2.3
157.06461	0.5
157.10213	0.4
159.11684	0.5
161.05963	0.6
161.09592	0.5
162.06831	0.5
163.03865	0.5
163.07487	1.3
163.11153	1.4
166.08597	0.6
167.07021	2.0
167.10611	0.5
169.10162	0.3
174.06677	0.7
175.03897	0.4
175.07503	0.6
175.11125	0.5
177.05428	7.8
177.09056	0.4
179.06990	1.2
181.05017	1.6
181.08562	2.2
181.12193	10.5
187.07495	0.4
189.09081	2.5
193.04901	10.7
193.06502	0.5
193.12187	0.4
199.13254	12.5
201.05467	3.2
201.09119	0.7
211.13289	0.5
213.05412	0.5
219.10088	6.4
221.08124	0.5
223.13229	6.7
223.16837	0.6
229.85925	0.4
241.14282	41.0
281.10138	0.5
293.08084	0.4
305.07889	0.6
325.10519	1.3
337.10529	0.8
337.21469	2.3
355.11533	1.6
355.18475	0.4
355.22342	2.7
373.23734	1.2
390.16116	0.4
424.28949	0.4
518.86389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01847	1.5
55.05486	1.2
55.17224	0.3
55.98619	0.3
56.96548	0.2
57.03415	1.8
59.04980	0.4
61.02908	0.4
62.61147	0.2
64.91428	0.3
67.05477	1.4
69.03414	5.6
69.07014	0.3
70.06588	0.3
71.04972	0.4
73.02899	0.5
75.04462	1.6
79.05461	1.8
81.03396	3.1
81.07015	1.3
83.04946	1.2
83.08598	0.4
85.02888	8.5
85.06538	0.4
87.04457	1.7
89.03884	1.2
91.05468	3.8
92.09297	0.6
93.07017	1.7
95.04933	1.4
95.08573	1.8
97.02879	3.6
97.06480	1.1
99.04420	0.5
103.05395	0.5
105.06982	1.3
107.04913	0.6
107.08568	1.7
109.02866	1.1
109.06522	0.6
109.10116	0.5
111.04416	1.1
111.08035	1.2
115.03923	1.6
115.05408	0.5
116.06227	0.3
117.03355	6.6
117.06992	0.6
119.04915	3.3
119.08533	1.7
121.06452	2.0
121.10083	1.2
123.04410	1.1
123.08045	1.6
125.05889	0.3
125.09603	0.6
127.03857	1.2
128.06195	1.6
129.06975	10.8
131.04895	2.0
131.08540	10.6
133.04948	0.5
133.10123	0.6
135.04390	0.6
135.08005	0.6
137.05951	9.3
137.09511	0.4
141.06964	7.7
141.09102	1.6
143.04819	0.4
143.08545	1.1
144.05696	1.5
145.02829	23.0
145.06447	1.9
145.10075	0.4
146.07298	0.6
147.04384	4.6
147.08069	0.6
147.11662	0.7
149.05957	3.7
149.09579	1.7
151.07487	0.5
157.06479	8.3
158.07224	3.6
159.04375	0.5
159.08026	9.5
160.05156	1.8
161.05901	0.6
161.09579	2.0
161.13239	0.3
163.03851	0.5
163.07521	1.6
163.11168	1.2
167.07030	2.7
167.10640	1.3
168.07344	0.4
169.06450	3.8
170.07240	2.0
171.07999	0.5
173.09512	0.4
174.06723	18.5
175.07513	4.1
177.05434	37.2
179.06990	1.2
181.04912	3.3
182.05255	1.2
186.06738	4.9
187.07449	1.2
188.08258	0.5
189.09070	36.8
189.98213	0.4
190.05980	0.4
191.07016	0.4
191.10617	3.1
191.14223	0.4
193.04916	4.2
195.06564	0.4
197.11649	0.4
201.05540	0.6
201.07190	0.5
201.09070	13.2
201.10884	0.6
207.10257	0.5
209.08009	0.5
213.07747	0.4
219.10123	100.0
222.08197	0.5
223.13272	1.1
223.16893	1.3
237.11111	1.4
241.14310	4.1
241.18025	0.5
249.11197	3.5
265.63666	0.3
279.09741	0.3
281.10464	0.4
321.09610	1.9
339.10623	2.6
344.89822	0.3
355.10742	0.3
389.15955	0.6
390.16315	1.1
545.05011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77602	0.2
57.03416	0.3
61.02901	0.3
67.05499	0.5
67.48592	0.3
69.03400	0.5
69.07054	0.4
71.04937	0.3
81.03377	0.5
85.02884	1.6
90.87175	0.3
91.05463	1.2
95.04927	0.5
95.08614	0.4
97.02861	0.4
102.48477	0.3
103.05402	0.3
105.06995	0.4
107.04958	0.3
115.05438	1.4
115.36790	0.3
116.06216	0.3
117.07006	0.4
128.06186	1.6
129.06975	9.9
131.04874	0.5
131.08549	11.1
137.05981	2.6
141.06966	7.4
143.04900	0.3
143.08516	0.7
144.05681	1.5
145.06432	1.8
146.07227	0.6
148.05225	0.3
151.03902	0.3
155.44064	0.3
157.06459	7.0
158.07292	3.7
159.04460	0.3
159.08022	9.8
160.05205	1.2
161.06039	0.4
161.09587	0.6
163.07433	0.4
167.07028	1.4
169.06447	4.9
170.07266	2.0
171.07928	0.3
173.05901	0.6
173.09647	0.5
174.06728	22.4
175.07524	3.6
181.04965	0.4
183.08075	0.4
186.06705	4.6
187.07509	0.4
188.08231	0.7
189.09074	41.5
191.06963	0.6
191.10622	2.4
201.09082	15.4
207.10283	0.4
219.10129	100.0
220.10469	0.6
237.11101	0.6
326.39642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.2
57.03414	0.3
61.02907	0.2
62.21725	0.2
67.05507	0.3
69.03400	1.2
71.87608	0.2
73.02861	0.2
81.03397	0.3
85.02885	2.3
91.05453	2.1
95.04938	0.3
97.02855	1.1
103.05424	0.3
105.06975	1.2
107.04935	1.3
115.05431	1.3
116.06230	0.4
117.06967	1.2
119.08569	0.3
121.06439	0.5
128.06209	2.5
129.06039	0.4
129.06973	7.7
130.07748	0.3
131.04909	0.4
131.08542	9.4
132.05659	0.2
133.04921	0.2
133.06471	1.5
133.10120	1.0
137.05910	1.0
141.06952	3.1
142.07741	1.2
143.04881	0.3
143.08560	2.5
144.05666	3.6
145.06458	3.0
146.07275	1.6
147.04361	1.0
147.08008	0.3
153.06973	1.1
156.05695	0.5
157.06459	4.4
158.07224	1.7
159.08026	17.4
160.08560	0.2
161.05937	1.2
161.09587	4.3
167.06943	0.8
169.06400	1.1
169.07597	1.1
170.07213	3.0
171.08011	3.8
172.05168	1.1
173.05904	2.1
173.09567	0.4
174.06706	1.4
175.07509	2.1
177.05391	0.9
178.06139	1.0
178.09581	0.2
181.08702	0.5
184.05086	0.3
187.05853	0.5
187.07518	11.9
188.08247	0.9
189.05420	1.0
189.09073	6.4
190.06111	0.5
191.07002	0.4
192.07718	0.3
193.08568	0.2
198.06709	1.3
199.07600	1.7
201.05460	0.8
201.09041	0.9
203.06976	2.5
203.45845	0.2
204.07770	8.2
205.08585	1.2
206.09314	0.7
207.10143	0.4
216.07776	2.1
217.08577	0.9
218.09433	0.9
219.10153	5.9
221.07961	0.4
221.11661	2.1
231.10117	4.1
233.11732	1.8
234.08772	0.4
237.11189	0.5
249.11163	100.0
250.11523	1.0
251.12708	2.3
265.10760	0.2
267.12210	3.2
345.25769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79533	0.1
55.01844	0.4
55.05489	0.3
57.03407	1.3
60.04488	0.2
61.02899	0.7
67.05474	0.9
69.03410	2.4
69.07035	0.4
71.04956	0.8
73.02872	0.2
77.20746	0.2
79.05463	0.8
81.03377	1.5
81.07030	1.5
83.04942	0.5
83.08569	0.2
85.02414	0.3
85.02883	5.9
85.06514	0.8
87.04420	0.8
91.05446	2.2
92.08702	0.4
93.06997	1.2
94.90323	0.2
95.04910	1.2
95.08582	1.6
97.02864	2.2
97.06508	0.2
99.04390	0.6
103.05453	0.3
105.06997	1.3
107.04916	1.0
107.08561	1.1
107.81594	0.2
109.02848	0.3
109.06456	0.4
109.10115	1.1
111.08088	0.3
115.03889	0.8
115.05418	2.0
116.06161	0.2
117.06993	0.8
119.04908	0.4
119.08534	1.1
121.06506	0.4
121.10120	1.0
123.04403	0.4
123.11714	0.3
125.05967	0.2
125.09535	0.3
127.03857	1.1
128.06143	2.0
129.06967	12.3
131.04893	2.0
131.08537	12.6
133.04947	0.3
133.06398	0.4
133.10114	0.9
135.11687	0.4
137.05962	3.3
137.09549	0.9
141.05806	0.4
141.06964	9.9
143.04900	0.7
143.08542	1.0
144.05641	1.2
145.02827	0.4
145.04926	0.7
145.06419	1.9
145.10085	0.9
146.07242	0.9
147.04372	0.5
147.11642	0.9
148.05168	0.8
149.09482	0.5
151.03853	0.3
151.07481	0.3
151.11180	0.3
151.94839	0.2
153.06932	0.3
157.06462	11.1
158.07243	4.5
159.04370	0.2
159.08018	9.8
159.11620	0.3
160.05186	1.8
161.05946	1.5
161.09570	1.4
163.07468	1.0
167.06981	4.0
167.10576	0.3
169.06415	4.8
169.07622	0.4
170.07227	1.8
171.07936	0.5
173.05923	1.0
173.09668	0.4
173.13266	0.2
174.06715	22.8
175.07480	5.0
175.11037	0.3
176.08289	0.5
177.05469	0.9
177.09065	0.2
180.08627	0.3
181.04886	1.3
181.08565	0.2
183.07964	0.2
184.09764	0.2
186.06731	5.9
187.07477	1.7
187.14581	0.2
188.08295	1.0
189.09058	40.0
190.09480	0.3
191.06865	0.3
191.10638	3.7
198.49773	0.2
201.09064	13.8
204.07870	0.3
207.10117	0.8
209.15291	0.3
211.13364	0.2
219.10112	100.0
220.10454	0.9
223.16907	1.3
237.11092	0.2
241.17780	1.3
249.11249	0.3
255.89058	0.2
259.18671	0.3
323.77359	0.2
329.78442	0.2
337.21591	0.4
361.16400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50911	0.6
55.05492	1.0
57.03426	10.0
61.02914	1.6
67.05501	0.8
69.03419	26.2
69.54211	0.8
70.06593	1.2
71.05019	0.8
75.04452	1.1
79.05473	1.1
81.03385	0.9
83.04987	1.3
85.02888	20.0
87.04453	11.4
91.05447	1.4
93.07011	1.6
95.04936	5.2
95.90848	0.8
97.02863	18.3
98.97574	1.2
105.07028	1.6
107.04910	1.0
107.08614	1.4
109.06508	1.8
109.10139	1.6
111.08057	1.0
112.69569	0.8
115.03898	10.4
119.08557	2.0
121.06487	1.7
121.10136	1.7
123.04377	1.2
123.08074	1.8
127.03902	1.0
133.04951	9.8
133.10104	1.3
135.08043	1.5
136.05150	1.3
137.05959	4.9
137.09642	1.2
145.04951	1.6
148.05199	5.9
149.05951	1.2
149.09575	1.5
151.03911	1.0
151.07518	3.4
154.06267	4.9
156.12498	0.9
161.05934	1.1
162.06693	1.0
163.03981	2.8
163.07478	1.7
164.08302	1.3
165.05453	1.7
165.09143	1.8
166.06282	1.4
167.07013	7.2
167.10748	1.0
169.08606	1.3
176.08298	3.6
177.05432	11.2
179.07051	3.7
180.07777	5.9
181.08560	100.0
187.07600	1.2
188.08318	3.5
190.06221	1.5
191.07013	5.2
192.06038	2.0
192.07785	54.5
192.40367	0.8
193.04852	1.6
193.08600	2.2
195.10168	6.3
204.07886	2.1
207.10161	6.3
211.09612	1.3
219.10091	3.9
221.08002	1.6
223.09624	31.0
223.13199	1.8
225.11252	6.0
226.08412	1.0
235.09645	3.7
241.10667	49.5
241.14412	3.9
247.09637	1.5
259.15363	1.5
261.11258	1.5
265.10678	6.0
283.11801	1.2
289.10666	1.1
307.11636	1.1
319.11853	1.6
379.18338	1.0
383.31238	0.9
394.95566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71996	1.2
55.05502	2.4
56.30488	1.4
57.03422	5.3
57.07052	2.9
59.04984	13.4
67.05492	33.0
69.03414	21.1
69.07047	2.8
71.04978	22.3
79.05460	7.3
81.07038	13.2
83.04956	5.3
83.08579	1.8
85.02862	2.9
85.06521	27.3
87.04440	8.3
91.05450	6.1
93.07008	13.1
95.04942	45.4
95.08567	8.5
97.02898	2.9
105.07019	15.9
107.04939	1.7
107.08595	16.4
109.06483	1.7
109.10101	8.5
113.05982	100.0
117.06976	2.6
119.08546	8.2
121.06454	1.6
121.10123	6.0
127.07510	1.5
131.08566	9.5
131.09430	1.5
133.10077	10.6
135.08014	1.4
135.11710	3.0
137.05974	2.2
143.08600	10.4
145.08594	20.0
145.10106	18.0
147.08015	2.2
147.11653	7.1
149.09529	1.3
151.11105	5.1
157.10056	5.7
159.11633	8.3
161.09569	2.4
161.13228	3.0
163.14752	1.5
169.10051	2.3
172.83582	1.3
173.09572	7.4
175.11130	6.3
177.09079	1.6
181.10043	2.1
182.85245	1.2
183.11665	1.9
187.03662	1.7
187.11075	1.7
189.09059	1.5
191.10612	5.8
198.56369	1.2
199.11243	1.7
205.12323	1.4
211.14676	1.4
221.18896	1.5
269.18835	5.1
289.19403	1.9
307.20395	2.6
317.18939	1.9
325.21597	2.3
335.19907	10.9
335.25616	1.9
353.21036	23.1
371.22177	28.0
389.23111	42.4
407.19183	2.1
407.24191	33.5
486.57010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53928	0.5
53.03940	2.3
55.01843	0.6
55.05503	3.2
56.96564	0.5
57.03418	2.5
57.07076	1.0
59.04994	0.6
59.19628	0.6
59.84953	0.5
61.02912	1.1
61.59114	0.6
65.90398	0.5
67.05497	5.8
69.03413	8.4
69.07055	6.1
71.04975	2.9
73.02915	0.9
79.05468	6.7
81.03395	3.0
81.07048	6.8
83.04989	0.7
83.08604	4.3
85.02368	0.7
85.02884	19.5
85.06516	5.8
86.06811	0.7
87.04456	3.7
91.05461	6.5
93.07041	4.4
95.04906	5.0
95.08582	8.7
97.02876	7.5
97.06524	0.9
97.10131	0.9
99.04429	0.8
105.03396	2.5
105.07001	2.5
107.04937	100.0
107.08584	4.9
109.02870	1.4
109.06460	0.8
109.10142	4.9
113.05962	4.8
114.06300	0.8
115.03902	1.4
119.08581	0.9
120.18357	0.6
121.10102	2.5
123.11660	1.3
125.05945	0.8
127.03909	3.4
131.08557	1.1
133.06491	1.0
133.10086	1.0
135.08025	0.9
135.11723	1.3
137.05983	1.1
145.04959	3.8
145.10068	0.9
147.04425	0.9
147.11606	0.6
149.13255	1.2
159.11714	0.7
163.05963	0.9
167.06984	0.9
173.13269	0.7
178.37123	0.7
181.04922	11.2
193.08554	0.9
221.08093	0.6
223.20625	0.8
241.18022	0.6
241.21597	2.3
251.21605	0.6
271.66641	0.6
372.21945	0.8
403.42157	0.6
522.72119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.3
55.05491	4.5
57.03417	6.1
59.04979	6.5
67.05489	38.1
67.84196	4.9
67.84553	4.4
69.03410	25.7
71.04980	36.5
71.18143	4.4
76.57312	4.8
79.05472	8.6
81.07049	21.1
84.42708	5.0
84.81387	4.8
85.06522	21.1
87.04449	11.0
91.05453	19.7
92.08614	13.3
93.06995	23.3
95.04946	42.2
95.08590	24.2
105.07027	31.9
107.08584	37.2
109.10145	9.5
113.05981	100.0
121.10111	20.2
123.07998	5.0
131.08559	21.8
133.10086	10.4
135.11722	8.0
139.75656	4.5
143.08521	23.1
145.08572	12.7
145.10095	19.5
147.11708	6.8
149.09576	8.2
159.11623	7.8
161.09604	12.5
171.07924	4.7
173.09570	5.1
175.11209	6.5
180.21983	5.0
189.09172	7.4
289.19556	8.3
301.87799	5.5
307.20486	10.0
325.21643	7.9
335.19998	30.6
353.21045	83.8
371.22025	92.3
389.23120	31.4
407.24069	33.1
471.65176	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	568.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	3.6
58.25357	2.7
58.46563	2.8
59.04981	6.9
67.05493	34.2
69.03414	15.7
71.04972	18.5
75.20357	3.7
79.05485	3.6
83.29665	3.1
85.06522	16.9
87.04466	4.4
91.05476	3.5
93.07014	4.4
95.04951	39.2
95.08582	6.2
104.88301	2.9
105.07020	14.8
107.08549	12.8
113.05988	100.0
118.70100	3.2
118.90620	3.6
131.08527	7.2
131.20296	2.8
145.08556	16.3
145.10063	5.3
157.10091	5.6
158.64705	3.0
171.11714	3.2
173.13182	4.3
192.11250	3.0
199.11205	3.9
208.02220	3.4
307.20453	3.4
335.19949	7.2
353.20966	23.6
363.08188	4.0
371.22049	44.4
373.23471	5.6
374.23911	5.5
389.23148	43.5
391.24484	4.5
392.24878	5.9
393.25049	6.3
480.79953	3.2
529.52582	3.3
567.37433	4.5
568.37183	7.0
569.26904	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78098	1.1
53.03928	1.5
55.01860	5.6
55.05497	2.8
57.03424	12.8
57.07063	2.8
59.04992	3.1
61.02905	9.3
67.05496	13.4
69.03414	39.2
69.07045	7.6
70.03749	1.8
70.45494	1.3
71.04969	10.4
73.02887	1.3
79.05465	19.8
81.03393	9.3
81.07027	32.5
82.55059	1.3
83.04959	5.4
83.08620	2.3
85.02883	85.4
85.06526	13.3
87.04449	14.2
89.24642	1.3
91.05450	27.2
92.08942	1.6
93.07014	28.4
95.04946	14.5
95.08568	24.0
95.62194	1.3
97.02869	26.3
97.06507	12.2
99.04420	7.0
99.08066	2.9
103.05435	3.0
105.03335	1.7
105.07003	35.3
107.04923	12.3
107.08567	37.9
109.02876	10.5
109.06480	11.0
109.10139	13.7
110.10474	1.5
111.04410	2.8
111.08054	1.8
113.05976	14.0
115.03887	6.6
115.05463	3.2
117.07004	13.1
119.04890	5.0
119.08539	26.7
121.06487	7.8
121.10122	13.9
123.04381	2.9
123.07995	9.7
123.11676	7.7
125.05968	9.2
125.09580	2.0
127.03886	15.3
127.07531	1.4
128.06143	3.1
129.06952	11.6
131.04950	2.2
131.08539	27.9
132.05692	2.6
133.04965	2.7
133.06485	9.6
133.10107	22.0
135.08038	8.8
135.11671	6.9
137.05928	8.0
137.09618	7.3
141.06996	2.6
142.07603	1.6
143.06947	1.8
143.08519	10.2
145.04909	12.0
145.06454	6.4
145.10110	35.4
147.04395	5.6
147.07954	10.4
147.11650	12.2
149.05974	2.4
149.09604	7.4
149.13255	3.2
151.07475	1.5
151.11163	1.8
153.05460	6.5
155.08554	5.4
157.10081	14.5
159.08035	7.7
159.11636	12.2
160.05110	2.1
161.05943	9.4
161.09587	8.1
161.13231	9.1
163.03873	1.5
163.07524	1.8
163.11079	1.9
163.14801	2.9
165.09071	1.6
167.06995	77.9
167.08412	3.0
169.10152	2.3
171.08047	2.5
171.11642	8.7
172.05132	1.8
173.05963	2.5
173.09564	16.4
173.13184	31.1
173.14546	1.9
175.03990	1.6
175.07506	43.1
175.11067	2.0
175.14752	3.0
177.05406	6.6
179.06996	5.4
181.08499	2.6
181.10071	3.0
181.12157	1.8
182.07959	1.3
183.11655	7.5
183.68365	1.3
185.13257	5.8
187.07523	12.4
187.11086	1.7
189.09042	3.0
189.12706	2.1
190.07690	1.6
191.06992	7.6
191.10548	2.7
191.14288	2.9
193.08580	21.0
193.10158	2.5
193.15799	1.8
195.11629	7.0
199.07483	5.6
199.11172	1.8
199.14792	2.9
203.14259	2.1
203.17902	1.6
205.08470	1.7
207.06361	3.3
207.11766	1.9
209.13303	2.9
209.15195	1.7
211.14740	2.3
213.12671	1.5
217.08528	1.8
221.15370	7.2
233.13290	1.7
239.10678	2.6
239.14313	1.7
239.16313	10.6
247.07405	2.2
249.09114	4.6
257.17419	7.7
269.15359	1.6
269.18982	2.0
277.08383	2.6
281.11670	6.6
289.08551	2.1
289.19296	2.3
291.09842	2.0
293.15430	1.9
293.18875	1.9
295.16885	1.7
307.20438	7.7
309.11108	3.2
317.18820	2.0
321.11102	3.0
325.21609	3.4
335.19849	22.6
341.13641	19.3
353.14304	11.0
353.20947	54.3
355.15436	7.9
371.14987	3.5
371.22055	44.8
389.23135	100.0
422.05618	1.5
531.40625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78098	1.1
53.03928	1.5
55.01860	5.6
55.05497	2.8
57.03424	12.8
57.07063	2.8
59.04992	3.1
61.02905	9.3
67.05496	13.4
69.03414	39.2
69.07045	7.6
70.03749	1.8
70.45494	1.3
71.04969	10.4
73.02887	1.3
79.05465	19.8
81.03393	9.3
81.07027	32.5
82.55059	1.3
83.04959	5.4
83.08620	2.3
85.02883	85.4
85.06526	13.3
87.04449	14.2
89.24642	1.3
91.05450	27.2
92.08942	1.6
93.07014	28.4
95.04946	14.5
95.08568	24.0
95.62194	1.3
97.02869	26.3
97.06507	12.2
99.04420	7.0
99.08066	2.9
103.05435	3.0
105.03335	1.7
105.07003	35.3
107.04923	12.3
107.08567	37.9
109.02876	10.5
109.06480	11.0
109.10139	13.7
110.10474	1.5
111.04410	2.8
111.08054	1.8
113.05976	14.0
115.03887	6.6
115.05463	3.2
117.07004	13.1
119.04890	5.0
119.08539	26.7
121.06487	7.8
121.10122	13.9
123.04381	2.9
123.07995	9.7
123.11676	7.7
125.05968	9.2
125.09580	2.0
127.03886	15.3
127.07531	1.4
128.06143	3.1
129.06952	11.6
131.04950	2.2
131.08539	27.9
132.05692	2.6
133.04965	2.7
133.06485	9.6
133.10107	22.0
135.08038	8.8
135.11671	6.9
137.05928	8.0
137.09618	7.3
141.06996	2.6
142.07603	1.6
143.06947	1.8
143.08519	10.2
145.04909	12.0
145.06454	6.4
145.10110	35.4
147.04395	5.6
147.07954	10.4
147.11650	12.2
149.05974	2.4
149.09604	7.4
149.13255	3.2
151.07475	1.5
151.11163	1.8
153.05460	6.5
155.08554	5.4
157.10081	14.5
159.08035	7.7
159.11636	12.2
160.05110	2.1
161.05943	9.4
161.09587	8.1
161.13231	9.1
163.03873	1.5
163.07524	1.8
163.11079	1.9
163.14801	2.9
165.09071	1.6
167.06995	77.9
167.08412	3.0
169.10152	2.3
171.08047	2.5
171.11642	8.7
172.05132	1.8
173.05963	2.5
173.09564	16.4
173.13184	31.1
173.14546	1.9
175.03990	1.6
175.07506	43.1
175.11067	2.0
175.14752	3.0
177.05406	6.6
179.06996	5.4
181.08499	2.6
181.10071	3.0
181.12157	1.8
182.07959	1.3
183.11655	7.5
183.68365	1.3
185.13257	5.8
187.07523	12.4
187.11086	1.7
189.09042	3.0
189.12706	2.1
190.07690	1.6
191.06992	7.6
191.10548	2.7
191.14288	2.9
193.08580	21.0
193.10158	2.5
193.15799	1.8
195.11629	7.0
199.07483	5.6
199.11172	1.8
199.14792	2.9
203.14259	2.1
203.17902	1.6
205.08470	1.7
207.06361	3.3
207.11766	1.9
209.13303	2.9
209.15195	1.7
211.14740	2.3
213.12671	1.5
217.08528	1.8
221.15370	7.2
233.13290	1.7
239.10678	2.6
239.14313	1.7
239.16313	10.6
247.07405	2.2
249.09114	4.6
257.17419	7.7
269.15359	1.6
269.18982	2.0
277.08383	2.6
281.11670	6.6
289.08551	2.1
289.19296	2.3
291.09842	2.0
293.15430	1.9
293.18875	1.9
295.16885	1.7
307.20438	7.7
309.11108	3.2
317.18820	2.0
321.11102	3.0
325.21609	3.4
335.19849	22.6
341.13641	19.3
353.14304	11.0
353.20947	54.3
355.15436	7.9
371.14987	3.5
371.22055	44.8
389.23135	100.0
422.05618	1.5
531.40625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01846	1.8
55.05509	13.4
57.03417	8.3
57.07071	7.5
59.04969	1.7
60.97248	0.8
61.02911	5.1
65.03935	0.8
67.05492	17.9
69.03407	18.1
69.07052	13.9
71.04971	8.8
72.14835	0.8
73.02880	1.9
79.05481	9.8
81.03392	5.5
81.07034	28.5
83.04965	27.2
83.08598	14.4
85.02888	44.7
85.06531	5.4
87.04447	6.6
91.05453	15.1
93.07019	25.9
95.04946	52.3
95.08586	18.1
97.02863	13.6
97.06506	27.4
97.10117	1.0
98.97619	1.1
99.04440	9.0
105.07008	38.4
107.08575	49.9
109.02880	3.7
109.06505	50.3
109.10144	50.8
111.08050	9.1
113.09598	1.5
114.37375	1.4
115.03893	4.6
115.05424	1.5
115.07547	6.5
117.07001	4.2
119.04865	1.2
119.08564	34.2
121.06480	1.5
121.10117	38.0
123.08074	10.2
123.11694	14.9
125.09632	7.5
127.03885	6.3
127.07562	1.4
128.06114	1.2
129.06981	1.1
130.07738	1.4
131.08545	28.5
133.10104	100.0
135.08060	14.9
135.11662	22.3
137.05920	1.4
137.09558	2.2
137.13225	1.6
139.11171	6.3
141.09082	1.8
143.08517	6.4
144.09250	1.7
145.04939	6.7
145.10117	18.6
147.11656	30.9
149.09604	1.5
149.13235	23.5
151.11162	8.0
153.09090	23.2
157.10092	1.2
158.10909	12.2
159.11629	1.4
161.13243	2.2
163.06020	1.9
163.11095	2.4
163.14769	8.0
165.12701	5.5
167.07021	2.0
167.14288	9.4
171.10184	1.3
171.69643	1.0
173.13234	69.3
175.03903	1.5
175.11076	1.1
175.14786	18.9
185.13254	1.2
191.14272	50.2
193.15834	1.3
203.14378	1.9
209.15334	74.3
221.11871	1.1
221.15344	4.6
227.16373	42.3
239.16418	4.4
273.11111	1.6
371.20593	1.8
397.41312	1.1
464.02530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
53.03928	0.3
54.81878	0.2
55.01861	0.5
55.05503	0.4
57.03426	5.5
57.20677	0.2
59.04976	1.1
60.04501	0.3
61.02912	0.7
61.57647	0.2
65.03915	0.3
66.97903	0.2
67.05496	0.9
69.03414	15.8
69.07048	0.3
71.04972	0.4
72.82172	0.2
73.02911	0.2
75.04461	0.9
79.05466	1.1
80.96337	0.2
81.03398	1.0
81.07048	1.9
83.04957	0.4
85.02889	12.8
85.06527	0.7
87.04449	8.0
91.05450	1.1
91.67377	0.2
93.03383	0.4
93.07034	1.8
95.04931	1.1
95.08584	1.5
97.02865	10.6
97.03491	0.4
97.06522	0.2
99.04408	0.4
103.03947	0.2
103.05437	0.3
105.07001	2.0
107.04936	100.0
107.08574	1.9
108.05229	0.3
109.02872	0.9
109.06471	0.8
109.10139	1.0
111.04449	0.3
111.08102	0.2
115.03904	8.7
115.04723	0.3
117.07004	0.3
119.08566	1.3
121.06497	1.8
121.10115	1.0
123.08058	0.8
127.03903	1.3
129.06969	0.4
131.04881	0.8
131.08519	1.0
133.03943	0.3
133.04944	7.5
133.06462	0.5
133.10089	1.1
135.08029	0.3
135.11682	0.4
137.05927	0.4
137.09566	0.3
139.03871	0.4
141.07014	0.2
143.08569	0.4
145.04933	1.2
145.06471	2.7
145.10115	1.5
147.11664	1.0
149.05962	8.0
149.09671	0.2
149.13249	0.2
150.07574	1.5
151.07518	1.0
155.08540	0.3
157.10129	0.5
159.11676	1.2
160.77596	0.2
161.05933	0.3
161.13266	0.4
163.03802	0.2
163.07530	0.4
163.11189	0.2
167.03433	0.3
167.07002	0.3
169.06659	0.2
171.11646	0.4
171.47237	0.2
173.05945	0.9
173.13367	0.2
175.14787	0.3
177.05426	0.4
181.05032	0.3
187.07448	0.3
188.07973	0.2
201.16306	0.2
203.07089	0.7
221.15376	0.4
227.17896	1.0
233.07797	0.2
239.10617	7.2
239.16403	0.8
244.09590	1.7
249.11134	0.9
257.11646	11.9
257.17276	0.7
259.08124	0.3
263.10550	2.7
277.09192	0.3
281.11642	3.0
299.12744	0.9
305.11649	0.2
307.20389	0.7
309.22058	0.2
323.12830	1.0
335.12692	1.2
335.19748	1.5
350.71268	0.2
353.20972	2.8
371.21899	2.4
507.16217	0.2
551.28088	0.4
592.81769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43756	0.3
53.03945	0.5
55.01859	0.9
55.05499	0.8
57.03418	0.9
61.02896	0.7
67.05489	0.5
69.03417	3.2
69.07037	0.6
70.06561	0.4
70.09683	0.3
71.04967	0.9
73.02879	0.5
73.92121	0.4
78.04661	0.5
79.05481	4.9
81.03384	2.4
81.07018	2.4
83.04943	0.4
85.02894	8.2
85.06494	0.7
86.25241	0.5
87.04454	0.6
91.05462	8.6
92.08692	2.7
92.09347	1.9
93.07037	3.0
95.04936	1.7
95.08585	1.8
97.02859	3.6
97.06496	0.5
99.04443	0.9
103.05462	1.8
105.07017	7.5
106.04145	0.7
107.04932	7.3
107.08563	2.4
109.02845	2.0
109.06485	1.0
109.10126	0.5
111.08097	0.4
115.03906	0.6
115.05415	2.4
117.03367	1.5
117.06983	3.1
118.04092	0.5
119.04932	3.8
119.08553	3.3
121.06483	1.9
121.10094	2.6
123.04394	5.2
123.07999	0.7
124.05164	2.5
125.05958	1.7
127.03864	1.7
127.07529	0.4
128.06212	1.5
129.06976	5.5
130.04118	0.4
131.04913	2.7
131.08585	0.8
132.05705	1.7
133.06483	4.6
133.10130	2.0
134.03590	0.4
135.04395	0.4
135.08023	0.7
135.11670	0.5
136.05170	2.2
137.06001	3.4
137.09599	0.9
144.05664	0.7
145.02837	3.8
145.04893	0.6
145.06459	3.0
145.10089	1.0
146.07198	0.6
147.04349	0.6
147.08031	4.4
147.11670	0.6
149.05968	0.9
151.03859	0.7
151.07509	5.1
151.11151	0.4
152.04672	2.3
153.05403	0.6
157.06398	0.6
159.08003	4.6
160.05168	1.7
161.05965	9.3
161.09558	0.7
161.13190	0.6
162.06755	0.7
163.07501	0.7
163.11115	1.9
167.07001	100.0
172.05190	0.8
173.06006	0.7
173.09592	0.6
175.07512	18.9
176.04642	0.7
176.08237	0.9
177.05432	5.5
177.09035	0.5
178.07631	0.6
179.07014	9.9
179.08505	0.8
180.08737	1.5
181.04927	3.7
185.06010	0.6
187.07506	9.5
189.06841	0.7
189.09000	0.7
190.07768	0.8
191.07008	8.9
191.08684	0.7
191.10620	0.7
193.08580	3.3
195.08154	0.6
199.07497	2.7
202.07736	0.6
203.08530	1.6
205.06621	0.7
205.08582	3.7
206.07285	1.7
207.08005	0.6
207.10095	0.5
209.07999	0.9
217.08594	1.8
218.07199	0.9
219.08037	0.7
221.09535	2.1
221.15379	0.6
227.12695	0.8
231.08075	0.8
233.05988	0.6
233.09538	1.6
234.06686	0.6
235.07555	1.5
237.08963	0.6
239.16273	1.9
246.06610	0.5
247.07478	1.6
248.08243	0.9
249.09039	4.3
250.09724	0.5
251.06779	0.6
257.17438	0.7
261.09113	1.7
263.07095	0.8
265.08490	0.6
266.09338	0.6
275.06985	0.4
277.08554	2.2
278.09204	0.6
279.06384	0.4
281.11606	5.3
283.09482	0.5
289.08640	1.8
293.07831	0.5
293.11566	0.5
294.08551	0.6
295.09576	0.9
307.09619	0.8
309.11163	4.9
310.12003	0.4
311.08957	0.8
321.11081	1.9
326.11411	3.1
339.12177	0.6
341.13760	13.2
344.12369	0.5
353.13684	4.1
359.14813	7.6
371.14752	8.7
389.15704	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.9
53.66426	0.5
55.01860	2.6
55.05498	2.5
56.00452	0.5
57.03416	3.1
59.04961	0.5
61.02872	0.7
67.05488	2.6
67.69681	0.6
69.03418	9.2
69.07049	1.0
71.04967	1.5
74.75940	0.6
78.04699	0.9
78.77859	0.6
79.05473	11.7
81.03391	7.6
81.07040	6.8
83.04967	1.3
85.02897	10.6
85.06538	0.8
87.04435	1.4
91.05443	9.8
93.07012	8.6
95.04955	6.8
95.08574	4.3
97.02854	7.4
97.06509	1.1
97.76534	0.6
99.04459	2.4
103.05431	4.1
105.07010	21.2
105.07657	1.3
106.04176	0.8
107.04945	17.9
107.08588	9.3
109.02869	3.5
109.06499	1.6
109.10139	3.5
111.04429	1.0
111.08057	1.5
113.05949	0.8
115.03897	1.6
115.05434	7.2
117.06981	9.5
119.04922	1.5
119.08539	8.8
121.06474	6.3
121.10112	6.1
122.03629	1.4
123.04403	6.2
123.08045	1.6
123.11730	1.3
124.05176	5.2
125.05953	3.5
125.09605	0.9
127.03887	3.6
128.06181	4.2
129.06982	17.4
131.04927	4.7
131.08513	5.8
132.05711	2.7
133.04936	1.1
133.06479	8.6
133.10107	3.2
134.03693	0.7
135.08028	4.0
135.11650	4.2
137.05956	35.7
137.09563	0.9
140.04765	0.7
141.06987	0.7
143.04939	5.1
143.08502	0.8
144.05678	3.1
145.02820	2.7
145.06458	19.9
145.10121	7.7
147.04381	4.8
147.08041	3.4
147.11667	3.3
149.05936	3.3
149.09621	3.6
151.03862	1.1
151.07536	1.2
151.11224	1.3
152.04655	4.1
153.05484	2.8
155.04897	1.2
155.05991	2.5
155.07085	1.0
156.05637	2.8
157.06468	3.7
159.08029	11.1
159.11641	1.4
160.05122	7.5
161.05954	14.5
161.09560	2.7
161.13199	1.0
163.11116	9.7
165.39780	0.7
167.07005	100.0
169.06483	1.3
171.07965	1.4
172.05151	4.8
173.05925	26.1
174.06680	1.4
175.07504	53.8
175.14748	0.8
176.04643	0.7
177.05455	6.5
177.09105	0.8
178.07652	1.6
179.06926	2.3
181.08551	1.5
181.12328	0.8
184.05205	2.3
187.07497	40.6
189.06976	2.7
189.09065	4.4
190.06223	15.3
190.07779	1.5
191.06992	5.3
191.08583	0.9
191.10622	4.5
193.08540	1.2
199.07542	5.9
201.09210	1.1
202.06140	1.2
202.07774	2.4
203.06931	2.4
203.08586	3.2
203.14279	1.2
205.06544	2.7
205.08553	27.0
206.07231	5.5
207.08006	1.4
209.08041	0.9
209.11694	1.1
209.15225	0.7
215.08514	1.4
217.06583	1.7
217.08537	16.6
218.07175	3.5
219.07986	3.5
219.10011	0.8
220.08736	2.7
221.09532	10.3
221.15369	4.1
223.07574	0.9
227.12779	1.1
230.07217	0.7
231.07991	3.4
232.08795	1.2
233.05931	0.9
233.09631	3.5
234.06755	5.3
235.07446	2.7
235.09547	10.6
239.16299	6.7
246.06662	1.3
247.07384	1.4
247.09665	2.8
248.08302	2.7
249.09032	13.1
250.09773	1.4
251.07033	4.7
257.17358	4.4
261.09061	6.2
262.06195	1.0
263.06888	2.9
265.08435	1.4
265.10699	8.5
266.09384	3.4
275.06918	0.7
276.08005	0.9
277.08578	6.9
278.09229	3.0
279.06418	1.1
281.11655	21.4
285.07568	2.6
289.08578	3.9
291.10019	1.4
293.08386	0.8
293.11682	2.9
294.08755	3.4
295.09564	1.3
300.09808	0.8
306.08792	0.9
307.09485	1.1
308.10303	0.8
309.11105	15.6
310.11813	2.3
311.09186	1.2
321.07941	0.9
321.10941	5.9
322.11792	1.3
326.11389	2.7
327.12408	0.7
335.14615	0.9
341.13770	42.4
341.17926	1.6
350.60770	0.7
353.13516	12.0
359.14655	1.1
367.11411	0.8
371.14828	14.0
440.30698	0.6
479.18900	1.0
497.19998	2.8
580.56946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81921	1.0
55.05492	1.0
57.03443	1.1
67.05508	7.3
67.16656	0.8
69.03403	1.7
69.07042	0.9
71.04996	2.2
79.05479	2.0
81.03422	2.0
81.07050	2.3
83.08587	1.1
85.02888	1.7
85.06554	2.0
91.05474	2.1
93.07032	1.7
95.04951	1.6
95.08570	1.5
105.07040	2.2
105.21185	1.0
107.08615	1.9
113.06017	6.4
121.10126	1.9
131.08527	1.7
133.10159	1.2
169.01607	1.1
251.12515	1.1
283.15088	16.0
307.15173	1.6
339.17758	8.9
381.27902	1.4
496.65814	1.1
524.46100	1.1
567.31482	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	566.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25325	1.5
53.60180	1.7
55.05502	3.4
57.03425	4.5
57.07062	4.3
59.04976	9.9
65.02842	1.5
67.05494	36.9
69.03411	24.6
71.04984	17.5
79.05462	15.3
81.07022	10.1
84.69109	2.1
85.06524	17.1
87.04440	9.4
89.75183	1.7
91.05458	12.6
92.08678	2.3
93.07011	10.0
95.04943	44.2
95.08581	9.3
97.06487	2.5
105.07024	18.2
107.08583	54.8
109.10119	2.6
113.05992	100.0
117.06955	4.2
119.08561	9.1
121.10087	3.8
131.08562	19.6
133.10110	8.7
135.11662	2.4
140.21356	1.6
143.08542	7.6
145.08661	16.4
145.10092	36.8
147.08020	3.0
147.11659	12.0
149.09637	3.4
155.08450	3.9
157.10107	9.8
159.11707	14.7
161.09619	3.9
161.13258	2.1
165.12749	2.6
169.09996	1.9
171.11693	2.7
173.09618	22.9
173.13182	2.4
175.11186	3.6
176.12779	4.3
187.11105	1.9
189.12755	3.1
191.10629	13.2
191.14268	2.8
197.13116	2.4
201.99370	2.1
211.14569	2.0
253.19463	8.4
269.17151	2.2
271.20306	14.7
319.20520	7.5
337.21509	19.7
355.22629	34.9
373.23633	81.9
391.24710	73.1
409.25879	15.6
411.28357	2.3
422.28998	2.7
566.36810	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	567.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.1
53.03933	2.2
53.12697	1.2
55.01860	3.5
55.05501	16.0
57.03424	13.6
59.04989	2.6
64.50343	1.4
67.05486	11.9
69.03415	33.1
69.07053	13.7
71.04977	33.4
71.97491	1.7
73.02905	3.5
73.06539	2.3
73.70336	1.5
79.05475	20.8
81.03391	2.9
81.07035	52.0
83.04953	10.1
83.08582	2.7
85.02895	25.3
85.06530	7.3
87.04449	12.1
88.07596	1.7
91.05453	24.0
93.07019	28.8
94.69843	1.5
95.04961	14.0
95.08590	24.0
97.02864	19.8
97.06501	14.1
97.10113	1.8
99.04404	3.0
99.08068	7.7
105.07015	69.9
107.04937	3.3
107.08583	39.8
109.02851	1.8
109.06520	9.5
109.10139	27.1
111.08068	3.1
115.03924	14.8
117.06978	3.8
119.08567	30.5
121.06479	2.4
121.10106	28.7
123.08051	6.7
123.11674	15.0
125.09608	24.8
127.03927	3.0
127.07532	6.3
127.11169	13.8
131.08536	19.5
133.04935	8.5
133.10104	100.0
135.08051	2.0
135.11679	15.0
137.05971	3.1
137.09608	4.0
139.11171	4.0
143.08531	2.2
143.10655	28.7
145.10106	30.3
147.11639	17.5
149.09637	2.5
149.13223	3.1
151.11194	15.9
153.05432	2.2
153.12717	3.3
155.10641	2.4
157.10136	2.3
159.11659	20.0
161.13220	7.3
163.11230	3.3
167.06972	6.3
169.12270	2.0
170.28210	1.6
173.13155	2.9
175.14830	2.2
191.17958	2.6
201.16360	22.2
219.17426	27.6
237.18443	47.4
351.21710	2.0
386.26965	2.0
413.88712	1.7
416.83563	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	566.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25325	1.5
53.60180	1.7
55.05502	3.4
57.03425	4.5
57.07062	4.3
59.04976	9.9
65.02842	1.5
67.05494	36.9
69.03411	24.6
71.04984	17.5
79.05462	15.3
81.07022	10.1
84.69109	2.1
85.06524	17.1
87.04440	9.4
89.75183	1.7
91.05458	12.6
92.08678	2.3
93.07011	10.0
95.04943	44.2
95.08581	9.3
97.06487	2.5
105.07024	18.2
107.08583	54.8
109.10119	2.6
113.05992	100.0
117.06955	4.2
119.08561	9.1
121.10087	3.8
131.08562	19.6
133.10110	8.7
135.11662	2.4
140.21356	1.6
143.08542	7.6
145.08661	16.4
145.10092	36.8
147.08020	3.0
147.11659	12.0
149.09637	3.4
155.08450	3.9
157.10107	9.8
159.11707	14.7
161.09619	3.9
161.13258	2.1
165.12749	2.6
169.09996	1.9
171.11693	2.7
173.09618	22.9
173.13182	2.4
175.11186	3.6
176.12779	4.3
187.11105	1.9
189.12755	3.1
191.10629	13.2
191.14268	2.8
197.13116	2.4
201.99370	2.1
211.14569	2.0
253.19463	8.4
269.17151	2.2
271.20306	14.7
319.20520	7.5
337.21509	19.7
355.22629	34.9
373.23633	81.9
391.24710	73.1
409.25879	15.6
411.28357	2.3
422.28998	2.7
566.36810	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	566.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82381	0.9
54.58028	0.8
54.82158	1.2
55.01867	1.8
55.05497	5.6
55.85695	0.9
57.03415	2.7
59.04979	4.6
63.82305	1.0
67.05480	12.5
69.03399	7.4
69.07040	1.1
70.61355	1.4
71.04966	6.1
74.31084	1.0
79.05476	13.6
81.03419	1.2
81.07047	13.1
83.04956	8.0
83.08603	1.5
85.02895	16.5
85.06522	13.5
87.04449	39.6
91.05463	18.5
92.09280	1.5
93.07008	15.8
95.04934	7.9
95.08576	11.2
97.06435	3.6
99.04406	2.7
103.05413	1.2
105.07008	37.2
107.08575	38.6
109.06518	5.4
109.10135	5.5
111.04388	7.8
113.06001	13.9
115.05442	1.9
117.07003	18.1
117.23618	1.2
119.08553	18.4
121.06487	1.7
121.10132	8.6
123.11697	2.1
128.06194	9.4
129.05450	4.6
129.06956	10.8
130.07729	6.0
131.08549	33.3
133.06494	2.3
133.10095	26.8
133.60529	1.2
135.08018	2.8
135.11699	6.6
141.06926	2.3
142.07738	5.2
143.08536	48.9
145.06482	1.4
145.08453	1.7
145.08887	1.7
145.10095	34.3
145.88606	1.2
147.07994	8.3
147.11676	10.9
149.09579	8.1
155.08539	5.4
157.10107	11.9
159.08063	4.8
159.11676	15.2
161.05933	1.8
161.09598	30.6
161.13177	2.5
163.07518	4.9
163.11140	2.6
165.12721	5.1
169.10130	4.9
171.08011	20.8
171.11673	5.3
173.09541	1.2
173.13272	5.9
175.07524	2.5
175.11194	13.8
175.14798	1.7
177.09050	5.1
177.12657	6.1
181.10086	2.6
183.08031	1.2
183.11636	2.1
185.09581	2.8
185.13254	1.2
189.09062	62.2
189.12669	2.1
191.14317	5.4
195.11522	1.2
197.09421	1.3
197.13249	2.2
199.11110	5.0
201.09093	2.5
201.16290	1.7
203.10590	4.9
207.11678	1.8
209.13338	1.8
209.15276	1.8
213.09039	1.1
223.11061	1.4
227.10611	1.5
231.10191	1.7
237.18446	1.8
241.12137	1.5
261.12885	1.2
265.15872	1.5
275.17764	1.7
289.19315	2.2
293.18881	1.4
304.22803	1.1
305.72983	1.3
307.20459	13.7
310.46219	1.2
314.85031	1.2
317.18909	2.7
325.21503	10.1
333.23987	1.3
335.20004	17.8
351.19406	1.4
351.25049	1.2
353.21008	36.2
369.20764	2.2
371.22104	68.4
387.21579	9.9
389.23151	100.0
390.23611	1.3
405.22531	6.4
407.24176	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	566.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05502	1.8
57.03427	4.9
57.07062	7.7
59.04992	6.5
65.03931	1.6
67.05491	34.5
69.03412	18.1
69.07048	1.1
71.04975	25.0
73.06530	0.9
73.08568	0.4
79.05470	4.1
79.86320	0.4
81.07036	5.4
83.04967	2.4
85.02898	0.9
85.06525	32.4
87.04440	5.0
89.69758	0.4
91.05454	8.8
92.59810	0.4
93.07018	7.2
93.39172	0.5
95.04948	34.4
95.08080	0.4
95.08587	4.1
96.05313	0.5
97.06540	0.9
99.08053	0.6
101.05950	0.6
105.07018	8.8
107.04926	0.7
107.08588	4.4
109.06509	3.1
109.10136	1.8
111.04416	0.8
113.05985	100.0
115.05480	0.7
115.56319	0.5
117.07007	5.9
119.04878	0.6
119.08565	6.2
121.06534	0.9
121.10140	3.5
123.04422	0.5
125.05946	3.5
128.06174	2.0
129.06970	5.0
130.07750	1.0
131.08539	8.9
133.06477	0.7
133.10100	5.0
135.08025	0.8
135.11665	0.8
135.25938	0.4
135.41776	0.4
137.05975	0.6
139.03957	0.6
141.05446	0.9
141.06912	3.6
142.07800	0.8
143.08557	9.6
145.08580	12.7
145.10110	7.9
147.08017	1.7
147.11632	1.8
149.09618	0.7
153.05457	1.8
155.08534	4.4
157.10126	5.5
159.08034	0.8
159.11681	2.7
161.09566	1.7
161.13269	1.0
162.11295	0.6
163.07529	0.8
163.11200	0.7
165.06917	0.7
165.08932	0.6
167.08499	3.0
168.09256	0.6
169.10106	4.4
171.08032	0.8
171.11665	3.4
173.09521	1.0
173.13219	2.4
175.07535	0.8
175.14789	0.5
177.09081	0.9
179.08545	1.0
181.10072	2.6
183.11623	3.4
185.09581	0.9
185.13208	5.3
189.09061	8.8
191.08611	0.5
193.10123	2.2
195.11681	3.0
196.12468	0.5
197.09593	0.5
197.13148	3.3
199.07597	0.6
199.11101	0.6
199.14783	7.6
201.09064	1.0
201.12712	0.6
201.16319	0.8
203.10625	0.7
205.10114	1.1
207.11707	2.0
209.09756	0.6
209.13162	2.5
211.11156	0.5
211.14767	4.5
215.10699	0.5
216.94838	0.6
219.11691	1.7
220.12454	0.5
221.13254	1.9
223.14763	1.0
225.09019	2.0
227.10666	1.9
229.12233	0.7
229.15829	2.5
231.11717	0.7
233.13199	1.0
235.14827	1.1
237.16307	1.0
237.18471	1.0
239.10693	0.7
251.10506	0.7
253.12111	0.8
255.19540	0.6
259.14880	0.6
261.16595	0.9
265.12177	0.7
267.13641	0.6
275.17850	1.0
277.12564	0.6
277.16129	0.5
277.19388	1.7
279.13867	0.7
287.17978	0.8
291.13815	0.5
293.18839	0.6
303.17429	0.7
305.15521	1.0
305.18930	3.1
307.16855	0.7
307.20358	0.6
315.17337	0.8
321.18500	6.2
323.19983	6.7
333.18396	12.8
339.19522	5.4
341.21140	1.8
351.19479	16.0
357.20560	0.8
369.20560	25.6
387.21558	11.9
405.22629	48.2
423.95334	0.5
436.08099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23553	1.4
51.43227	1.2
54.18927	1.2
55.01860	1.6
57.03422	7.5
57.07063	3.1
59.04992	17.0
64.33231	1.4
65.53263	1.3
67.05491	41.0
69.03420	21.1
69.07034	1.8
71.04971	20.8
79.05458	15.4
80.18567	1.3
81.07042	14.6
83.04967	7.4
83.08604	1.8
85.02885	2.6
85.06535	15.5
87.04447	8.6
91.05449	9.3
92.09408	2.7
93.07011	9.7
94.66324	1.7
95.04950	50.4
95.08577	6.7
97.06490	2.8
105.07024	22.3
107.04928	3.6
107.08577	38.5
109.06484	7.9
111.04429	3.3
111.08043	2.0
113.05984	88.7
117.06983	9.5
119.08577	14.0
121.06471	3.3
121.10098	3.2
123.07999	2.8
125.05964	2.2
128.06178	1.8
129.06978	3.0
130.07761	1.6
131.08537	14.0
133.10100	6.6
135.08025	6.2
135.11653	6.0
143.08543	14.2
145.08537	13.7
145.10091	32.9
147.08020	2.8
147.11665	3.6
149.09587	2.6
149.13173	1.6
156.91054	1.6
157.10097	1.7
159.07991	3.6
159.11681	27.3
161.09625	2.2
163.07477	6.2
163.11137	5.9
165.09099	2.7
165.81149	1.4
169.10052	12.1
171.11736	2.8
173.09599	2.1
177.12718	26.2
179.06886	2.7
186.28873	1.6
187.07491	2.2
187.11122	17.2
189.12833	1.6
191.10637	1.6
193.08662	1.5
195.13762	2.2
201.09132	1.8
205.12204	42.1
223.13266	11.9
235.32384	1.8
242.39096	1.6
243.10149	3.2
261.11200	8.7
305.18341	1.5
323.19965	2.5
341.21283	2.4
351.19470	13.3
369.20541	31.2
387.21570	100.0
405.22659	74.5
412.69904	1.6
568.06030	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	566.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81655	2.2
55.01865	3.5
55.05508	3.8
55.56018	1.8
57.03417	8.3
57.07063	3.7
59.04987	13.9
67.05491	35.5
69.03416	21.5
69.07098	2.1
71.04979	24.5
79.05476	12.9
81.07043	13.4
83.04964	4.0
84.89342	1.8
85.00687	2.2
85.06509	24.4
87.04458	11.1
91.05465	10.0
92.09216	2.9
93.07026	15.7
95.04945	44.3
95.05513	3.2
95.08599	13.2
97.02911	2.7
97.06526	3.2
98.95874	1.9
105.07019	19.1
107.08576	32.0
109.10142	2.9
113.05989	100.0
114.06329	4.8
117.06995	9.9
119.08590	9.3
121.10146	4.3
125.05998	2.8
131.08560	11.1
133.10118	4.5
135.08073	3.1
135.11659	4.0
140.57005	1.9
143.08560	7.9
145.08588	16.0
145.10127	19.2
147.11639	3.1
149.05963	2.8
151.07483	2.3
159.08087	3.3
159.11652	18.1
162.32272	2.3
163.07521	3.4
163.11101	3.0
165.09122	2.6
169.10144	4.7
173.13216	3.2
177.12697	16.6
178.13065	3.6
187.11209	11.9
205.12173	30.7
206.12590	4.7
222.44301	2.4
223.13266	5.1
224.13586	3.2
237.02803	2.7
261.11215	7.8
323.20120	3.1
333.18262	3.2
351.19736	3.3
369.20575	27.1
369.25159	2.8
387.21640	59.8
403.21109	5.3
404.21539	3.1
405.22571	50.5
469.27975	2.4
549.96771	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	566.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06811	0.6
53.00298	1.1
55.01851	2.2
55.05507	14.0
55.64020	0.8
57.03434	12.0
57.07059	2.0
59.04980	5.4
61.02896	1.0
65.03909	1.5
67.05486	13.7
69.03071	1.4
69.03413	28.0
69.07062	11.7
71.04977	18.6
72.04508	1.2
75.04452	1.3
79.05471	16.5
81.03392	5.6
81.07034	33.9
83.04967	4.8
83.08619	8.1
84.04472	1.2
85.02888	25.6
85.06523	10.5
87.00815	0.9
87.04448	34.2
87.78783	0.9
91.04958	1.5
91.05466	29.9
92.09172	5.7
93.07013	24.2
94.47664	1.0
95.04948	6.8
95.08590	17.9
97.02871	21.0
97.06506	10.5
97.10127	3.9
99.04435	1.9
99.08083	10.9
100.07596	1.2
100.11249	7.3
103.05431	1.5
105.07013	67.8
107.08575	25.3
109.02815	1.9
109.06515	4.1
109.10148	20.1
111.04392	3.6
111.08068	2.0
111.11700	1.3
113.05981	2.3
115.03910	14.5
115.05406	1.1
115.07543	1.2
117.06979	4.4
118.07745	0.9
119.04912	20.0
119.08568	23.3
121.06464	1.6
121.10106	21.6
123.08012	1.7
123.11684	5.6
125.06073	1.0
125.09605	21.4
127.03885	1.6
127.07519	2.1
127.11155	5.9
129.06969	1.0
131.04868	1.6
131.08537	15.6
133.04953	11.8
133.06468	2.0
133.10106	100.0
135.08038	2.0
135.11656	7.0
137.05957	4.2
137.09581	1.5
142.12201	1.4
143.08563	2.2
143.10648	29.6
145.02837	1.8
145.04918	1.0
145.06480	1.1
145.10094	16.5
147.04387	22.0
147.08047	1.2
147.11671	18.6
149.05956	1.1
149.09541	1.8
149.13211	6.0
151.11198	7.2
151.12285	1.1
154.12260	1.4
155.10603	1.2
157.03899	1.4
157.10121	4.3
159.11656	14.5
161.04439	2.3
161.09499	1.1
161.13242	10.0
163.03851	1.6
163.11104	1.3
165.12767	1.6
167.07053	3.6
167.14297	8.1
169.12236	1.9
173.13242	5.4
175.03859	31.0
175.07500	1.1
175.11189	0.9
175.14799	3.9
177.05438	1.9
177.12752	1.8
179.07042	1.5
182.15347	4.1
189.16389	1.6
193.04987	1.1
195.01103	1.1
201.16377	14.8
205.08623	1.0
207.06482	43.6
207.17378	1.4
210.14871	4.8
215.17999	2.0
219.17401	51.7
235.16881	1.1
237.14784	1.5
237.18456	24.1
255.15860	1.2
255.19527	1.5
290.49365	1.0
335.19879	1.6
341.13550	1.7
351.10614	1.7
351.21521	1.1
353.20911	4.1
369.11768	4.3
371.22217	2.0
389.23138	3.7
397.27042	1.2
445.52448	1.0
566.42468	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	566.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
54.37028	1.0
54.81713	1.1
55.01849	1.4
55.05505	7.4
57.03426	15.3
57.07061	7.5
59.04984	7.5
61.02908	1.2
64.33431	0.8
67.05490	24.6
69.03416	43.1
69.07055	15.8
71.04987	8.5
71.08614	1.1
75.04464	1.9
79.05487	9.1
81.03408	4.2
81.07047	27.9
83.04956	2.5
83.08607	6.0
85.02886	37.1
85.06527	12.0
87.04449	35.3
87.54030	1.0
89.44925	0.9
91.05458	17.8
93.07024	36.8
95.04956	16.8
95.08583	28.0
97.02865	27.3
97.06476	7.1
97.10149	1.7
99.04454	1.9
99.08054	1.6
105.07009	36.7
107.04953	1.1
107.08582	31.0
109.06514	5.6
109.10145	56.0
111.04443	1.7
111.08068	2.1
112.38219	1.0
113.05988	17.8
114.91442	0.9
115.03909	23.5
117.07024	13.4
119.04903	2.3
119.08553	32.7
121.06504	4.4
121.10121	18.5
123.08073	1.7
123.11688	13.7
125.09615	2.2
127.11188	4.1
128.06174	1.5
129.06998	4.8
130.07764	2.0
131.08553	28.6
133.04933	19.8
133.06482	1.7
133.10115	19.0
135.08058	5.7
135.11668	26.8
135.12662	1.3
137.05954	1.9
137.09590	1.3
137.13292	1.1
139.11165	1.5
143.08542	9.9
143.10657	1.6
144.09268	1.7
145.08781	3.9
145.10106	93.1
147.04395	2.3
147.11658	12.1
149.09665	2.2
149.13258	4.0
151.11218	1.3
155.08566	1.3
157.10121	7.1
159.08092	2.0
159.11662	71.8
161.09654	1.2
161.13231	10.4
163.07405	1.1
163.11142	7.7
163.14647	1.5
169.10048	1.5
171.11676	3.7
173.13191	7.4
175.03946	1.8
175.07538	4.2
175.11137	1.2
175.14767	12.4
177.05440	4.2
177.12749	2.4
179.23537	1.2
181.04898	1.1
181.10089	1.2
189.09142	4.7
191.17964	9.6
197.13235	1.8
199.14801	4.1
201.16350	88.7
203.17981	3.9
207.06519	6.7
207.11728	1.2
219.17410	100.0
237.18494	19.6
243.17549	1.6
247.35524	1.0
255.15921	1.5
289.19421	1.1
295.10287	1.1
315.19385	1.4
330.34271	1.2
333.20715	2.1
335.20148	1.3
351.19241	1.5
353.21155	1.9
369.20523	10.3
371.22208	2.1
387.21613	10.2
405.22757	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	566.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
54.37028	1.0
54.81713	1.1
55.01849	1.4
55.05505	7.4
57.03426	15.3
57.07061	7.5
59.04984	7.5
61.02908	1.2
64.33431	0.8
67.05490	24.6
69.03416	43.1
69.07055	15.8
71.04987	8.5
71.08614	1.1
75.04464	1.9
79.05487	9.1
81.03408	4.2
81.07047	27.9
83.04956	2.5
83.08607	6.0
85.02886	37.1
85.06527	12.0
87.04449	35.3
87.54030	1.0
89.44925	0.9
91.05458	17.8
93.07024	36.8
95.04956	16.8
95.08583	28.0
97.02865	27.3
97.06476	7.1
97.10149	1.7
99.04454	1.9
99.08054	1.6
105.07009	36.7
107.04953	1.1
107.08582	31.0
109.06514	5.6
109.10145	56.0
111.04443	1.7
111.08068	2.1
112.38219	1.0
113.05988	17.8
114.91442	0.9
115.03909	23.5
117.07024	13.4
119.04903	2.3
119.08553	32.7
121.06504	4.4
121.10121	18.5
123.08073	1.7
123.11688	13.7
125.09615	2.2
127.11188	4.1
128.06174	1.5
129.06998	4.8
130.07764	2.0
131.08553	28.6
133.04933	19.8
133.06482	1.7
133.10115	19.0
135.08058	5.7
135.11668	26.8
135.12662	1.3
137.05954	1.9
137.09590	1.3
137.13292	1.1
139.11165	1.5
143.08542	9.9
143.10657	1.6
144.09268	1.7
145.08781	3.9
145.10106	93.1
147.04395	2.3
147.11658	12.1
149.09665	2.2
149.13258	4.0
151.11218	1.3
155.08566	1.3
157.10121	7.1
159.08092	2.0
159.11662	71.8
161.09654	1.2
161.13231	10.4
163.07405	1.1
163.11142	7.7
163.14647	1.5
169.10048	1.5
171.11676	3.7
173.13191	7.4
175.03946	1.8
175.07538	4.2
175.11137	1.2
175.14767	12.4
177.05440	4.2
177.12749	2.4
179.23537	1.2
181.04898	1.1
181.10089	1.2
189.09142	4.7
191.17964	9.6
197.13235	1.8
199.14801	4.1
201.16350	88.7
203.17981	3.9
207.06519	6.7
207.11728	1.2
219.17410	100.0
237.18494	19.6
243.17549	1.6
247.35524	1.0
255.15921	1.5
289.19421	1.1
295.10287	1.1
315.19385	1.4
330.34271	1.2
333.20715	2.1
335.20148	1.3
351.19241	1.5
353.21155	1.9
369.20523	10.3
371.22208	2.1
387.21613	10.2
405.22757	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	566.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73488	0.7
53.00300	1.6
53.03946	1.5
54.81350	0.8
55.01869	7.7
55.05501	11.8
57.03426	9.1
57.07063	1.3
59.04985	4.4
59.06108	1.5
61.02908	1.7
62.36530	0.8
64.33586	1.0
65.03926	0.9
67.05495	12.8
69.03068	1.3
69.03417	30.4
69.07053	11.1
70.57124	0.8
71.04977	20.3
72.04526	0.9
73.02894	1.0
75.04459	1.4
79.05469	15.8
81.03404	4.7
81.06592	1.7
81.07039	32.8
83.04955	6.3
83.08604	7.7
85.02888	27.1
85.06516	8.2
87.04449	15.0
91.05461	24.2
92.08939	5.3
93.07018	23.4
95.04939	6.7
95.08588	16.4
97.02868	20.9
97.06520	8.5
97.10134	3.6
99.04417	1.3
99.08077	8.4
100.11237	9.6
103.05428	1.6
105.07011	66.5
107.04929	1.7
107.08576	23.2
109.02864	1.7
109.06510	4.8
109.10146	19.0
111.04382	1.9
111.08065	1.6
113.05988	1.1
113.09627	1.0
115.03906	14.0
115.05466	1.1
117.07008	5.5
118.07741	1.1
119.04958	3.2
119.08560	27.1
121.06487	2.2
121.10123	15.9
123.08047	2.0
123.11688	6.1
125.05927	1.6
125.09614	24.5
127.03897	4.0
127.07543	4.2
127.11166	4.0
128.10736	1.6
129.06975	1.3
130.07773	1.5
131.04921	1.9
131.08548	15.9
133.04927	10.0
133.06490	1.5
133.10106	100.0
135.04503	0.9
135.08061	3.7
135.11673	6.1
137.05992	1.5
137.09631	1.9
139.11139	1.4
143.08528	1.3
143.10661	36.8
144.09293	1.0
145.02872	2.2
145.05014	1.0
145.06451	4.3
145.10107	17.9
147.04323	3.0
147.11649	19.8
149.05939	1.5
149.09663	1.0
149.13266	5.1
151.11171	5.4
155.10632	1.2
157.10129	4.1
159.08018	1.8
159.11687	14.8
161.06027	3.3
161.13220	10.0
163.03940	1.2
163.11185	3.6
167.07018	11.5
167.14288	1.3
168.13776	1.1
169.12201	1.3
173.13220	4.7
175.03891	5.3
175.07521	1.6
175.11098	1.0
175.14783	2.1
177.05437	7.9
179.06955	1.0
181.05009	9.9
181.08553	6.0
181.10014	1.1
182.15329	2.0
189.12813	0.9
191.14467	1.1
191.17853	1.4
192.07680	1.4
201.05527	1.3
201.16380	14.0
205.08673	1.0
207.06560	5.3
209.08083	2.0
210.14835	4.5
217.08641	1.0
219.14055	1.5
219.17410	49.4
234.76295	1.0
237.14771	2.2
237.18446	14.7
247.09703	1.0
255.15923	1.9
255.19518	1.3
295.10083	1.7
345.20374	1.2
369.20404	1.4
381.22681	1.3
387.21631	3.5
399.23523	1.0
419.16885	6.4
500.54797	1.0
566.42548	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	566.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82845	0.9
53.00293	2.2
53.03928	2.4
55.01859	2.4
55.05501	16.5
57.03419	13.3
57.07060	2.0
59.04986	8.4
59.90232	1.0
65.03915	1.4
67.05499	8.6
69.03413	31.4
69.07056	12.0
71.01309	1.1
71.04968	19.9
73.06509	1.1
75.04448	4.9
77.03921	1.0
79.05471	17.8
81.03379	6.8
81.07036	41.0
83.04954	5.8
83.08584	5.1
84.04501	1.6
85.02888	34.2
85.06525	14.0
87.00804	4.2
87.04446	54.9
91.05455	35.9
92.44792	1.0
93.07015	28.6
95.04922	5.7
95.08574	19.1
97.02867	23.1
97.06501	12.3
97.10123	4.2
98.97562	1.2
99.04436	4.4
99.08051	7.5
100.11243	8.2
101.05978	2.1
105.03400	1.4
105.07005	69.3
107.04919	1.3
107.08570	28.3
109.02863	4.0
109.06463	4.7
109.10127	21.9
109.10822	1.3
111.04420	2.3
111.08010	1.3
111.11697	1.4
113.05997	1.8
115.03911	16.6
117.06998	6.9
119.04916	24.0
119.08558	29.3
121.06475	2.5
121.10134	23.3
123.08060	4.4
123.11666	8.4
125.05897	1.2
125.09610	20.1
127.03865	4.3
127.07522	4.5
127.11153	5.5
129.05487	1.7
130.07742	1.3
131.04959	1.5
131.08537	18.1
133.04926	9.8
133.10100	100.0
135.11678	8.5
137.05928	4.9
137.09587	4.2
137.13208	1.4
139.11195	1.4
142.12216	2.1
143.06975	1.3
143.08501	4.4
143.10663	28.6
145.04886	2.4
145.10095	18.8
147.04375	23.0
147.11682	19.0
149.09583	1.6
149.13225	8.6
151.11163	6.6
151.80383	1.2
154.12204	1.3
157.03918	1.8
157.10062	2.3
159.11673	17.4
161.04436	4.6
161.05807	1.2
161.13220	11.2
163.03804	2.5
163.07463	2.1
163.11172	2.2
167.06989	4.3
167.14253	2.4
169.12149	2.0
171.11617	1.6
173.13214	6.8
175.03883	37.1
175.07399	1.3
175.14729	7.5
177.05493	1.5
177.08984	1.1
177.12747	1.8
177.16318	1.2
179.07106	1.1
179.14322	1.8
182.15437	1.7
187.07495	1.7
189.12766	1.0
189.16280	4.3
191.14247	1.4
191.17944	1.7
193.05084	1.2
201.16368	10.9
207.06493	52.8
208.06914	1.3
210.14946	1.7
213.16156	1.3
215.17886	2.6
219.13995	1.9
219.17413	55.5
237.14748	4.4
237.18452	24.2
255.19579	1.8
295.10019	1.6
335.19968	2.6
351.21518	1.5
351.25272	1.6
353.21115	8.4
369.11584	5.3
371.22098	11.2
389.23187	8.9
399.23489	1.6
566.42212	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	566.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.81600	0.9
55.01857	4.4
55.05492	1.8
56.82662	0.8
57.03168	1.5
57.03425	24.5
57.48634	0.8
59.04976	4.7
60.04509	1.7
61.02909	4.0
67.01859	0.8
69.03413	100.0
69.07033	0.8
70.06568	0.9
71.01361	1.3
71.04970	3.6
73.02882	4.1
75.04452	5.1
78.64870	0.7
79.05468	5.1
81.03392	13.5
81.07039	4.1
83.01312	1.9
83.04958	5.2
85.02887	78.8
87.04448	51.1
91.03925	1.7
91.05446	5.6
93.07028	2.1
95.04955	1.8
97.02868	86.2
97.06514	1.6
99.04428	8.5
101.02380	1.6
103.03898	1.9
105.07014	6.5
107.04975	1.6
107.08600	3.9
109.02859	5.5
109.06501	1.7
111.04424	4.7
115.03906	71.3
117.05499	5.0
117.07000	1.1
119.04916	1.5
119.08583	3.9
121.10100	0.9
123.04356	1.2
123.07974	1.0
125.05945	1.5
127.03872	18.7
131.03371	1.8
131.08539	1.4
133.04941	51.0
133.06494	3.6
133.10121	1.4
135.04402	1.9
137.05971	2.2
137.09579	1.3
139.03882	7.1
139.11147	0.9
143.03369	1.1
145.02887	1.0
145.04951	15.4
145.06407	1.1
145.10065	1.9
147.07988	2.1
147.11720	0.9
149.04468	2.1
149.05946	1.5
149.09619	0.9
150.07600	4.1
151.07550	3.6
153.05399	2.1
157.04948	9.7
159.11649	1.6
159.16602	0.9
161.04451	4.5
161.05946	10.3
163.03839	1.2
163.06020	1.5
163.11131	1.2
165.05455	5.3
169.04979	0.9
175.05986	1.4
176.08292	31.5
176.09747	1.9
177.05417	4.0
177.09096	1.6
181.04918	1.5
183.06624	1.3
189.09108	1.0
192.07741	1.0
193.04922	2.1
199.05984	1.3
201.16290	1.0
207.10124	27.1
211.05959	3.9
219.13715	1.1
219.17407	3.4
225.53482	1.0
229.07007	21.6
233.77065	0.9
237.14769	1.8
247.08078	10.8
255.12129	2.0
255.15805	1.1
257.83728	1.0
259.08041	3.7
265.09134	32.4
285.13220	4.3
295.10242	5.6
383.21039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.6
53.03939	1.4
55.01862	4.9
55.05232	0.9
55.05495	2.3
57.03168	1.5
57.03429	27.2
59.04988	8.0
60.04511	1.5
61.02915	2.4
67.05489	1.7
69.03416	100.0
70.06567	1.0
70.25364	1.0
71.04976	2.0
73.02898	4.4
75.04459	5.3
79.05480	2.1
81.03397	10.8
81.07040	4.8
83.01324	2.6
83.04964	4.1
85.02892	78.3
85.06528	1.5
87.04448	49.7
91.03948	1.1
91.05456	5.9
93.07021	1.3
95.04947	1.6
95.08569	1.3
97.02868	83.1
97.06519	1.1
98.92704	1.0
99.04436	10.9
101.02350	2.0
102.10101	1.1
103.03872	1.4
105.07018	8.9
107.04935	2.3
107.08591	2.2
109.02847	4.4
109.06487	4.9
109.10114	1.8
111.04443	6.1
111.08001	1.1
115.03913	64.2
117.05419	2.1
117.06964	1.4
119.04868	1.1
119.08562	8.1
121.06509	1.9
121.10127	1.0
123.04383	2.6
123.08074	2.2
123.11691	1.1
125.05999	1.3
127.03880	19.0
131.03368	2.5
131.08499	1.9
133.04944	51.3
133.06511	5.4
133.10117	2.4
135.04384	2.1
135.08032	2.2
137.05936	4.4
137.09618	2.3
139.03889	10.2
143.03374	1.4
145.04929	14.4
145.06024	1.2
145.06429	1.2
145.10107	2.4
146.07240	1.7
147.04448	1.2
147.08003	2.6
147.11734	1.8
149.05978	1.6
149.09549	1.3
150.07613	1.8
151.07529	2.7
157.04950	10.9
159.07951	1.6
159.11676	4.1
161.04512	2.5
161.05879	17.2
163.03860	1.8
163.06116	1.4
163.11212	1.6
165.05441	2.5
173.13318	1.5
175.06059	2.0
175.07439	2.6
176.08289	69.5
177.05423	6.0
177.09016	1.8
179.10539	1.3
192.07771	4.3
193.04930	2.1
199.06096	1.7
201.16376	1.4
207.10138	47.6
211.06078	1.6
219.10060	1.5
219.17372	1.8
229.07060	26.7
237.98715	1.1
247.08092	8.0
255.12215	1.3
259.08072	6.3
265.09128	30.6
285.13342	1.9
295.10181	6.4
339.07581	1.0
353.22162	1.2
387.37207	1.1
505.19641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01874	0.3
55.05492	0.2
57.03422	0.5
57.20238	0.2
61.02904	0.6
61.73868	0.2
64.90044	0.2
65.03937	0.5
69.03409	2.1
72.08138	0.2
75.40841	0.2
77.03901	0.3
79.05456	0.4
81.03408	2.4
81.07032	0.5
83.04980	0.3
84.03554	0.3
85.02413	0.3
85.02893	6.0
85.06570	0.2
87.04452	0.8
89.03886	0.3
91.05461	16.9
92.08871	0.7
93.71080	0.2
95.04930	0.3
97.02856	1.6
99.04414	0.5
99.67421	0.2
103.05429	0.4
105.03378	0.2
105.07006	0.4
107.04920	0.4
107.08586	0.2
109.02861	1.5
109.06425	0.3
115.03937	0.3
119.04919	34.2
121.02849	0.5
121.06440	0.5
127.03885	1.2
132.02043	1.1
133.02858	0.3
135.04387	0.3
137.05988	1.8
139.03865	0.3
145.02841	1.8
145.04926	0.4
146.03583	0.3
147.04388	36.1
149.02327	0.5
149.05917	0.3
157.03963	3.3
161.09561	0.4
163.03876	0.3
164.04672	1.0
167.06973	1.2
175.03873	56.5
177.05476	1.2
178.02814	0.2
179.06990	4.4
192.04160	1.6
204.83308	0.3
205.04732	0.5
207.06494	100.0
208.06772	0.4
217.84628	0.3
225.07536	1.9
255.08841	0.2
351.10602	0.5
369.11832	4.5
378.83295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49330	1.0
85.89524	0.8
89.84628	0.7
105.04915	0.9
105.95346	0.8
140.96780	1.0
160.71458	0.8
166.54672	0.7
246.45120	0.8
333.07980	1.1
364.46228	0.9
391.12073	4.0
475.03961	0.9
475.13928	1.2
501.15894	1.2
533.18097	1.6
565.20898	100.0
566.20996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
55.05500	10.3
57.03426	2.0
67.05482	8.8
68.49820	1.8
69.03411	12.6
69.07069	2.0
71.04953	2.9
78.04708	2.2
79.05477	12.1
81.03394	10.4
81.07040	15.6
83.04974	3.3
83.08560	2.2
85.02892	12.1
85.06509	2.4
87.04444	3.6
91.05444	9.3
93.07024	10.3
94.96584	1.8
95.04934	6.7
95.08584	10.9
97.02869	8.2
97.06480	2.4
100.11252	7.3
103.05430	1.8
105.07013	12.2
107.04932	15.2
107.08581	9.3
109.06499	2.6
109.10132	10.9
111.08041	2.1
115.05422	2.5
119.08555	8.2
121.10098	3.4
123.04388	9.3
124.05179	2.8
124.84737	1.7
127.03921	2.7
128.06183	2.6
131.04893	8.4
132.05685	3.4
133.06406	2.0
133.10103	10.0
135.04317	2.1
135.11693	1.9
137.05988	3.1
140.04655	7.8
143.08557	2.9
145.06442	6.9
145.10121	3.9
147.04385	2.3
147.11667	7.1
149.09531	1.8
151.03847	2.0
151.11102	2.4
152.04591	1.8
153.05437	7.7
155.06989	2.1
157.06387	1.7
158.03589	10.8
159.11736	3.0
160.05098	3.1
161.13185	4.4
163.03842	2.1
165.05482	2.6
167.07010	76.4
170.03719	2.5
173.05951	19.3
175.14774	3.3
177.05412	7.7
182.15424	2.9
184.05232	1.8
186.03075	10.5
189.06924	2.1
190.07762	2.8
191.06984	4.3
191.08585	2.3
192.07794	3.9
201.05432	100.0
203.07074	2.7
205.06407	3.4
207.08080	8.7
209.06003	2.3
213.05432	28.8
213.17653	2.0
217.06412	2.5
217.15826	8.1
218.07262	7.3
218.16129	3.1
219.07982	10.4
220.05130	3.1
221.05916	11.2
231.06418	28.5
232.05219	2.5
233.06021	3.0
234.06654	3.3
235.07455	19.0
235.16843	3.7
236.08267	8.2
246.06699	9.6
247.07489	8.0
248.08308	2.1
249.05438	14.4
251.07051	2.2
252.07712	4.3
253.08478	2.3
253.18102	2.9
254.18300	2.0
260.04556	8.0
261.05365	2.1
262.06174	4.3
263.06982	16.0
264.07767	15.0
265.08618	3.5
267.10126	4.3
273.05658	2.2
274.06198	11.3
275.06845	14.2
276.07571	2.0
277.05133	13.2
277.08221	2.7
278.05887	2.1
278.09225	1.9
279.06406	3.0
279.09924	2.4
280.07263	3.0
281.07892	3.4
288.04099	6.3
289.05069	4.3
289.08493	2.6
291.06454	6.8
292.07196	20.4
293.08002	2.7
295.09726	3.5
302.05777	3.6
303.06503	38.9
304.07034	4.0
305.04391	15.1
305.07813	3.8
306.08621	2.4
307.09460	12.7
309.07663	3.7
317.07867	2.5
320.06659	29.6
321.07593	2.7
323.09073	3.7
325.53195	1.8
335.09055	70.7
337.10544	8.9
349.10880	2.4
352.09183	2.7
355.11633	38.3
367.11691	98.2
385.12805	8.8
411.61478	1.9
499.15924	2.3
529.17004	2.7
547.17596	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	564.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.7
55.05503	4.0
56.05551	2.6
57.03434	6.3
57.07079	3.3
59.04990	6.6
67.05497	39.5
69.03408	15.7
69.07057	7.5
71.04965	13.4
71.38897	2.8
73.43219	2.8
76.53343	3.2
79.05476	16.6
81.03397	3.2
81.07037	16.8
83.04977	4.8
85.02878	14.6
85.06538	18.4
87.04412	3.9
91.05475	14.0
93.07032	21.7
95.04941	32.7
95.08591	18.0
97.02899	4.7
97.06525	34.8
97.10136	3.6
105.07011	33.3
107.08593	30.1
107.56693	3.2
109.06548	4.3
109.10145	5.7
109.11940	2.8
113.05991	76.2
117.07013	6.3
118.19802	3.0
119.08567	17.8
121.10141	15.9
131.08559	17.0
133.10121	20.1
135.11707	3.8
141.06892	3.1
143.08545	17.7
145.08574	15.6
145.10109	21.3
147.11656	13.6
149.09595	3.6
157.10136	7.5
159.11671	7.8
161.09616	17.1
169.10036	5.2
171.08022	12.1
177.16281	5.4
185.13185	4.1
189.09042	25.4
223.16908	5.0
259.09650	3.4
270.04739	3.3
311.12689	3.7
335.19998	5.7
349.23636	17.4
353.21140	23.0
355.15399	13.0
371.22141	41.1
389.23169	100.0
400.93076	3.8
407.24316	4.6
408.58942	3.2
414.03534	3.9
564.35339	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64945	39.7
50.74332	47.5
58.26174	60.5
65.27718	47.5
67.05478	82.6
69.03410	77.4
71.48055	49.4
80.06509	46.1
86.36087	50.9
86.59579	46.3
92.09082	53.9
95.04948	100.0
95.08568	71.1
105.07008	78.5
107.03015	52.6
107.08540	67.1
111.90934	47.8
112.82055	46.9
119.08546	65.2
119.76743	45.7
135.92723	47.8
161.13193	50.2
168.25749	47.5
170.69785	45.9
258.84750	55.6
278.47278	58.1
370.69467	58.2
545.29956	54.3
546.35321	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25996	2.2
55.05505	10.0
56.54410	2.2
57.03429	6.6
57.07067	6.2
59.04988	15.5
67.05498	35.4
69.03416	34.2
69.07037	5.0
71.04973	30.3
74.09710	5.9
74.71265	2.8
79.05467	15.5
81.07020	22.7
83.04942	9.5
83.08618	4.6
85.02886	42.8
85.06523	34.9
87.04454	53.9
91.05450	21.6
93.07024	16.7
95.04939	60.3
95.08582	17.5
97.02879	18.5
97.06516	4.7
99.04433	4.1
105.07005	27.6
107.04916	3.1
107.08582	21.3
109.02855	2.8
109.06502	5.1
109.10135	10.9
111.04393	3.1
113.05983	100.0
115.03905	12.1
117.07021	11.4
119.08588	27.1
121.06522	3.0
121.10136	16.3
123.11697	4.6
129.05446	3.7
131.08595	19.4
131.09453	3.7
133.04942	3.9
133.06514	4.7
133.10078	17.8
135.11661	3.4
137.05962	4.4
137.13295	3.1
139.03906	3.9
141.06972	3.7
143.08536	11.2
145.06520	3.2
145.08589	16.6
145.10118	12.2
147.04407	12.8
147.11679	11.8
149.13264	5.4
151.07509	5.4
151.11110	3.7
154.57286	3.5
157.10120	6.3
159.11674	10.8
161.05948	18.6
161.13179	3.9
169.10052	4.9
171.11682	4.6
173.13235	6.0
175.07584	3.2
183.08029	3.0
183.11632	2.8
187.07523	3.8
189.16281	3.8
193.99536	2.6
197.09673	3.4
198.94875	2.9
207.11794	2.8
218.18991	2.7
221.08022	10.2
235.16908	13.3
253.17766	3.8
321.18332	5.8
333.18390	3.7
339.19604	4.6
351.19415	14.2
367.18619	8.8
369.20447	31.3
385.19916	15.9
387.21683	29.7
387.26025	3.7
403.21094	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01857	2.3
55.05507	11.2
57.03429	10.1
57.07052	6.6
58.03607	1.2
59.04993	14.0
61.02881	1.4
65.03925	1.9
67.05151	1.4
67.05492	38.3
68.05882	1.3
69.03413	39.2
69.07040	7.9
71.04972	21.1
73.06538	1.6
75.04456	1.5
79.05457	8.6
81.03433	1.9
81.07047	18.4
83.04971	13.6
83.08572	2.1
85.02882	46.0
85.06525	41.1
87.03931	2.7
87.04445	64.7
91.05471	13.2
93.07016	14.8
95.04944	54.2
95.08582	20.7
97.02856	15.9
97.06500	2.0
99.04415	3.0
105.07000	17.3
107.08553	17.2
109.06464	2.2
109.10173	10.9
111.04433	11.9
113.05984	100.0
115.03905	12.1
117.07001	10.0
119.08564	18.4
121.06416	1.8
121.10112	10.8
123.08054	1.6
123.11675	2.2
125.17467	1.4
127.03901	2.9
129.05444	5.6
129.06996	5.7
131.08536	19.0
133.04935	8.2
133.06477	5.9
133.10121	12.1
135.11664	8.6
137.09520	1.5
139.03868	10.5
141.06952	1.7
143.08519	8.2
145.04944	1.9
145.06418	1.9
145.08588	14.7
145.10110	15.4
147.04381	14.1
147.08008	2.3
147.11661	10.4
149.09680	1.5
149.13191	7.5
151.07445	2.3
155.08582	2.2
157.10043	10.0
159.08005	1.9
159.11652	14.1
161.05920	8.6
161.13200	7.7
162.11234	1.7
163.03900	1.8
165.12766	2.8
169.10062	3.0
171.11649	3.2
173.09537	2.2
173.13188	14.4
175.07521	5.8
178.06166	1.9
179.07002	2.3
179.08464	2.6
181.10144	3.3
183.11629	3.4
187.07434	2.4
189.16376	8.0
190.06229	6.1
191.14279	2.7
191.17912	9.1
193.08539	3.2
195.11690	2.5
197.09665	2.3
197.13132	2.5
199.14790	2.0
201.09117	1.7
201.16380	2.1
203.06987	1.8
203.14316	1.8
204.02655	1.6
213.09007	2.1
215.10559	2.8
217.19521	2.0
221.08043	22.6
221.98238	1.4
225.12605	1.8
227.10573	1.7
235.16893	9.1
235.20538	7.1
241.12160	2.1
253.17873	2.2
261.16379	2.1
287.17789	2.2
307.16882	1.4
309.18317	1.7
321.18472	5.6
323.19919	7.3
327.90750	1.5
333.18600	3.4
339.19437	2.5
341.21201	1.6
349.17984	1.7
351.19446	10.6
367.18890	6.8
369.20581	19.9
385.19995	12.8
387.21576	86.4
403.21088	26.8
456.47839	1.5
519.94452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69189	1.1
53.00288	1.4
55.01862	2.0
55.05493	5.5
57.03427	21.1
57.07056	6.1
59.04745	1.1
59.04985	14.7
61.02903	2.6
64.55807	1.1
67.05489	40.5
69.03413	62.8
69.07053	15.0
71.04972	19.7
73.02864	1.4
75.04444	2.1
79.05465	10.4
81.03380	4.9
81.07025	19.9
83.04963	5.7
83.08586	6.5
85.02369	1.3
85.02883	43.1
85.06527	24.5
87.04446	30.4
91.05475	14.1
93.07011	19.8
95.04942	44.9
95.08584	23.3
97.02865	35.7
97.06512	2.5
97.10091	1.8
99.04403	2.1
99.07993	1.5
105.07005	21.0
107.08567	25.9
109.06474	2.5
109.10123	18.4
109.44007	1.1
111.08051	2.4
113.05982	100.0
115.03899	32.5
117.06982	9.9
119.04892	5.5
119.08541	20.0
121.06430	2.6
121.10112	20.6
123.08019	1.4
123.11671	6.5
127.03878	3.1
128.06183	2.4
129.06958	2.7
131.08539	11.0
133.04933	28.5
133.06413	1.9
133.10088	15.4
135.11650	17.3
137.09547	5.6
139.11192	1.7
141.06931	2.2
143.08598	8.7
145.04935	2.3
145.06557	1.9
145.08577	15.4
145.10085	10.3
147.07941	1.5
147.11659	9.6
149.02242	1.6
149.09569	1.5
149.13266	6.7
150.07516	1.8
151.11186	1.9
155.08472	6.0
157.10085	5.9
159.08054	1.5
159.11696	6.3
161.13229	8.3
163.14709	1.7
165.05441	2.1
165.06886	2.4
165.12848	1.8
167.07231	1.3
167.08551	5.5
169.10072	4.6
171.07971	1.7
171.11647	4.7
173.13208	5.3
175.07446	6.3
175.11168	1.7
175.14786	9.1
177.05316	1.9
179.08525	1.9
181.10104	4.8
183.08003	1.9
184.12346	1.3
185.13196	1.4
187.07533	2.1
189.16362	4.8
191.17908	28.7
192.87300	1.5
195.08054	1.8
195.11668	1.7
197.09512	1.6
197.13258	1.5
205.10150	1.9
207.11609	1.6
209.09454	1.4
211.07594	3.1
213.09138	1.7
217.15884	1.9
217.19504	10.9
225.09283	1.7
227.10445	1.8
229.08549	1.8
235.16843	8.1
235.20515	34.4
253.17914	1.7
253.21637	2.1
259.07962	2.2
277.09064	2.1
279.13742	1.4
295.10135	5.3
303.17621	1.7
319.16830	7.4
321.18219	2.0
331.16751	6.2
337.17911	25.1
339.19342	2.5
349.17725	12.1
355.18945	30.6
367.18930	25.9
385.19989	46.1
403.07626	1.3
403.20981	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70886	0.8
51.55365	0.7
53.00288	0.9
53.03938	1.0
54.39913	0.7
54.81462	0.7
55.01863	1.8
55.05511	3.6
57.03429	11.8
57.07068	6.1
59.04990	9.0
61.02910	0.9
63.34992	0.7
65.03925	2.0
67.05489	37.1
67.05848	1.5
69.03415	42.2
69.07044	7.0
71.04974	21.3
73.02888	0.8
73.06542	0.8
73.74296	0.8
75.04456	0.9
79.05474	5.5
81.03395	1.7
81.07041	12.2
83.04975	4.4
83.08611	3.6
85.02888	19.9
85.06533	21.7
87.04449	19.2
91.05460	12.6
92.94723	0.8
93.07021	14.3
95.04314	1.5
95.04945	46.4
95.08582	14.7
97.02861	17.8
97.06519	4.3
97.10147	1.4
98.68697	0.9
99.04422	1.3
101.06013	1.1
105.06997	15.5
107.04982	1.0
107.08591	12.9
107.15437	0.8
109.02886	1.1
109.06497	2.1
109.10136	9.3
113.05987	100.0
115.03909	15.6
117.06986	5.0
119.04926	5.3
119.08559	12.3
121.06503	2.1
121.10120	10.5
123.08038	1.1
123.11692	3.9
127.03952	2.0
129.06979	4.9
131.08545	9.7
133.04958	9.0
133.06453	1.6
133.10107	8.9
135.04367	1.2
135.11671	9.6
137.05917	1.3
137.09564	3.5
141.06990	1.9
142.07776	2.1
143.08504	5.9
145.02919	0.9
145.04903	1.1
145.06502	1.1
145.08614	11.4
145.10089	9.8
147.04381	1.6
147.08025	1.9
147.11621	8.7
149.02303	1.5
149.05893	1.1
149.13225	4.0
149.17009	1.0
150.07561	0.9
153.06929	1.7
155.08530	4.5
157.10083	4.0
159.08031	1.3
159.11652	7.7
161.05978	1.4
161.09584	1.7
161.13220	3.3
163.11250	1.3
163.14745	1.3
165.06999	1.1
166.07739	1.0
167.08563	3.4
169.10143	4.4
171.08003	1.6
171.11697	1.8
173.09621	1.3
173.13213	4.0
175.07463	1.5
175.11217	2.0
175.14838	4.0
177.05435	1.3
179.08545	1.4
181.04712	1.1
181.10103	1.5
183.08054	1.1
183.11723	1.1
185.09561	1.0
185.13184	1.2
187.07619	1.3
189.05508	1.8
189.16328	3.7
191.17909	13.1
195.07991	1.5
195.11639	1.1
197.09689	1.4
199.07489	1.0
199.14813	1.5
201.09122	1.0
204.09386	1.0
207.11649	1.2
209.09598	1.5
211.07477	3.9
211.11131	1.2
213.09071	3.4
215.10419	0.9
217.15846	3.1
217.19485	3.9
219.11684	1.6
223.07629	1.4
225.09132	1.0
227.10643	1.1
228.01129	1.2
229.08577	3.8
231.11694	1.3
235.11127	1.2
235.16881	5.7
235.20520	13.5
237.09053	3.2
239.10678	1.2
249.12794	1.2
251.10445	1.3
253.17863	1.8
263.10370	1.2
267.13626	1.4
273.16162	1.2
279.13760	1.8
289.12033	0.9
291.17191	0.8
295.10217	1.6
301.15826	1.2
303.17352	1.2
307.16940	0.9
309.18311	1.8
319.16766	6.8
321.18365	1.7
323.20053	1.4
331.16797	5.2
337.17905	23.6
339.19455	4.5
349.17944	11.6
355.18951	26.7
367.18970	24.0
385.20032	39.6
389.23166	1.0
403.21094	21.8
498.67184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66589	0.9
55.05501	2.0
57.03422	5.9
57.07066	8.2
59.04982	6.7
64.33685	1.3
65.03931	1.8
67.05492	31.9
69.03414	36.5
71.04978	35.0
79.05470	2.4
81.07037	4.1
81.57349	1.0
83.04962	4.1
83.08592	1.2
85.02885	1.3
85.06527	37.7
87.04441	2.5
89.59767	0.9
91.05468	1.9
92.08829	1.1
93.07030	2.4
93.86932	1.3
95.04944	27.8
97.02863	1.3
97.06479	1.1
97.10121	1.1
105.07025	2.5
107.08584	2.2
109.06491	1.4
109.10140	1.0
113.05987	100.0
119.08584	5.2
121.10059	1.9
125.09594	1.3
129.56731	1.1
130.08656	1.4
131.08545	2.2
133.10127	1.7
143.08511	4.5
145.08591	29.8
145.10083	4.1
147.11618	1.3
155.08534	1.4
157.10075	2.1
158.75194	1.2
159.08041	1.3
159.11681	2.2
162.11285	1.7
167.08450	1.3
169.10176	2.4
171.11653	1.4
177.05400	1.1
177.08992	1.7
181.10106	2.3
183.11694	2.4
185.13286	1.3
195.11688	1.5
196.12341	1.2
197.13217	1.4
213.16341	5.5
221.13202	1.5
223.14720	4.8
235.14745	1.7
237.16272	1.7
245.15413	1.3
247.17209	1.1
265.15936	1.4
270.13943	1.2
293.19205	1.3
317.13815	2.1
321.18512	1.9
339.19180	1.6
349.17908	1.6
367.18832	4.4
385.19876	26.4
401.19604	5.4
403.20956	5.6
437.14346	1.1
502.82663	1.3
534.30426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
56.74757	0.9
57.03423	4.5
57.07058	5.9
59.04993	13.0
67.05492	29.6
67.08369	0.9
69.03416	16.8
69.07058	2.3
71.04973	20.9
79.05469	4.1
81.07041	5.0
82.14959	0.9
83.04987	1.7
85.02915	3.2
85.06527	28.2
87.04457	5.7
91.05454	4.0
93.07021	4.5
94.96668	0.9
95.04950	38.8
95.08587	4.2
97.06513	10.8
98.01520	0.8
99.08093	1.2
105.07030	3.8
107.08555	4.8
110.11510	1.0
113.05989	100.0
119.08561	4.0
121.06437	1.0
121.10149	1.4
129.07001	1.4
131.08507	1.6
133.10091	2.1
143.08502	1.6
145.08583	23.6
145.10155	2.4
147.11673	1.5
155.08589	1.5
157.10170	2.2
159.11636	2.4
160.73116	1.0
171.11604	1.7
181.10123	1.6
183.07979	1.2
183.11626	1.6
185.09544	1.5
195.11531	1.2
209.09639	1.3
213.09137	1.3
241.15894	1.4
259.09686	2.0
301.18286	1.3
339.19382	1.9
349.17880	4.6
355.15250	4.7
357.20605	1.3
367.19003	6.0
368.26288	1.2
385.20123	8.4
402.42584	1.2
403.21100	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	564.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05500	1.8
57.03431	3.8
57.07066	5.9
59.04713	0.8
59.04989	14.2
64.32152	0.3
65.03904	0.7
67.05492	29.0
69.03413	13.8
69.07048	1.7
71.04974	18.1
73.06536	0.9
79.05474	3.2
81.03388	0.5
81.07043	3.5
83.04954	1.6
83.08595	1.9
85.02884	0.8
85.06528	24.1
87.04458	8.0
91.05460	2.2
93.07021	2.4
95.04943	39.5
95.08573	2.1
97.06520	0.7
97.10139	0.5
101.05995	2.4
105.07024	3.4
107.08592	2.7
109.10148	1.7
113.05984	100.0
117.07000	1.5
119.08556	2.5
121.06464	0.5
121.10116	2.6
125.09740	0.4
127.07545	0.7
130.08685	0.4
131.08517	1.8
133.10143	2.1
135.08049	0.5
135.11623	0.7
143.08551	1.0
145.08574	27.7
145.09955	1.2
147.11690	1.0
149.09573	0.8
157.10077	0.8
159.07983	0.5
159.11653	2.7
161.13335	0.7
162.11247	1.7
171.11781	0.6
173.13191	0.7
177.09090	6.4
183.11708	0.5
185.09698	0.6
185.13211	0.9
195.11679	0.8
199.11130	0.4
199.14722	0.5
209.13226	0.7
227.14384	0.7
245.15240	0.9
253.12157	0.7
255.13803	0.6
257.18872	0.7
271.13129	0.6
299.12845	0.9
317.13748	6.9
349.23550	3.2
357.20679	0.6
367.19031	0.7
373.23669	0.8
374.49973	0.4
383.18304	1.7
385.20038	18.1
401.19556	9.3
403.20947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.8
55.05492	10.5
57.03422	9.3
57.07076	2.9
58.21392	0.8
58.78032	0.9
59.04993	15.9
59.49403	0.9
61.02909	2.1
61.17129	0.8
65.03919	2.0
67.05140	1.5
67.05492	45.1
69.03416	23.8
69.07066	8.5
71.04977	19.3
71.59911	1.0
79.05469	16.6
81.07035	22.0
83.04955	7.9
83.08614	5.7
85.02873	4.6
85.06522	22.4
87.04449	6.1
91.05469	13.6
93.07023	14.7
95.04947	51.6
95.08572	13.9
97.02840	1.5
97.06490	8.2
97.10125	6.9
101.05994	1.5
103.05449	1.0
105.07005	21.7
107.04929	2.1
107.08578	35.9
109.02843	1.8
109.06490	1.9
109.10147	9.9
111.04415	5.0
113.05987	100.0
117.06996	6.9
119.08582	9.9
119.09341	1.3
121.06377	1.2
121.10129	4.0
125.09602	6.5
129.06973	1.1
131.08563	8.2
133.10136	8.0
135.08044	1.9
135.11678	4.8
141.06955	1.1
143.08549	9.2
145.08575	16.1
145.10104	19.7
147.11679	5.4
149.09616	3.7
149.13246	1.9
159.11650	25.5
163.07521	2.2
163.11185	1.1
169.10104	9.6
171.10147	1.2
173.11703	2.4
177.12714	39.1
181.08571	10.0
181.09903	1.1
186.24768	1.0
187.11143	17.9
189.11140	2.2
195.13780	2.4
205.12204	61.3
223.13261	40.1
223.15186	1.0
227.12729	1.7
229.14307	7.8
235.20551	1.1
257.18924	2.5
259.09586	1.7
269.17297	1.4
275.20020	9.9
349.23682	22.5
367.18594	1.6
368.44495	1.2
385.19980	5.0
403.21063	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05500	1.4
57.03426	6.6
57.07055	0.5
59.04966	0.7
67.05492	16.8
69.03064	1.0
69.03412	17.8
69.07053	9.5
71.04972	6.5
75.04440	1.1
79.05466	2.1
81.03388	1.2
81.07041	8.3
83.04984	0.5
83.08616	0.8
85.02891	11.1
87.04444	9.6
91.05473	3.8
93.07016	4.6
95.04940	2.7
95.08566	5.0
97.02861	12.0
99.04419	0.6
105.06992	5.7
107.04919	1.8
107.08559	5.3
109.06486	2.5
109.10136	100.0
111.04386	0.5
115.03908	9.4
117.06991	0.7
119.08556	8.6
121.06495	7.2
121.10099	5.1
123.08080	0.8
127.11163	8.5
131.08551	4.1
133.04921	5.1
133.06476	0.6
133.10109	10.1
135.08008	5.3
135.11656	1.0
137.05933	0.6
137.09590	2.9
143.08549	3.0
145.10124	2.4
146.07236	0.5
147.04430	0.7
147.08032	6.1
147.11676	5.0
148.87637	0.5
149.09593	42.5
151.11185	0.6
157.10077	5.0
159.11656	6.5
161.09581	30.5
161.13190	0.6
162.59441	0.6
163.01614	0.6
163.03871	3.9
167.07027	0.8
171.11514	0.5
173.13235	1.2
175.11145	11.4
175.14787	3.3
177.12698	1.2
189.16383	2.7
199.14745	5.6
205.15955	0.8
217.15834	67.0
221.08009	2.4
235.16884	18.5
253.17928	74.3
279.03580	0.6
370.94519	0.6
416.18106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44330	0.6
53.03926	0.6
53.91685	0.5
55.01869	0.7
57.03419	0.8
59.04977	0.9
65.03909	0.6
65.35046	0.5
69.03409	4.0
71.64149	0.5
74.09679	1.0
78.04696	1.2
79.05462	3.8
80.82342	0.5
81.03399	4.4
81.07042	2.1
83.04958	0.7
85.02882	5.3
85.06513	0.8
87.04453	0.7
89.03893	2.7
91.05470	8.0
93.06992	1.0
93.51577	0.6
94.04156	2.1
95.04929	2.3
95.08569	0.6
96.05692	0.6
97.02863	3.5
97.06520	0.6
97.95902	0.5
103.05441	2.3
105.03404	0.7
105.07024	4.2
106.04182	1.0
107.04923	3.5
107.08562	0.7
109.02882	1.1
109.06499	6.4
113.12788	0.6
117.03365	12.4
119.04913	6.9
119.08514	0.7
121.02818	0.9
121.06473	5.6
121.10132	1.0
122.03619	3.1
123.04411	5.4
124.05163	3.2
127.03869	0.7
131.04930	4.1
131.08580	1.0
133.02812	2.3
133.06448	1.3
134.03609	1.2
135.04410	2.5
137.05952	70.8
145.02824	50.1
147.04401	9.7
147.11673	0.9
147.71382	0.6
149.05959	11.6
151.03900	0.9
151.07501	2.9
152.04683	1.3
153.05463	1.2
153.06978	2.0
155.08479	0.6
159.04347	0.8
161.05983	4.2
162.06691	1.0
163.03859	1.4
163.07480	1.3
165.05429	6.0
165.06956	4.4
166.07825	0.6
167.07002	100.0
170.07149	0.8
171.11761	0.7
175.14705	0.6
177.05431	89.3
178.07698	0.6
179.06995	1.2
181.06477	4.0
181.08498	1.1
182.07251	1.0
183.07968	4.1
185.02946	0.6
185.05930	0.7
191.07016	1.0
193.06491	1.0
194.07217	2.0
195.06398	0.9
195.08006	3.2
196.05200	0.7
197.08020	7.9
197.09505	0.7
198.06732	2.4
205.06471	0.8
208.05200	0.6
209.06049	0.9
209.08031	3.1
210.06807	0.7
211.07530	3.0
213.09003	1.0
221.05931	3.1
222.06650	2.3
223.07515	0.9
224.08209	0.6
225.09085	3.3
227.06952	1.0
237.05331	0.7
237.09023	1.0
239.06937	1.2
241.08524	2.7
243.10043	1.1
251.06824	0.9
253.08467	2.9
253.14027	0.6
255.10112	0.7
265.08490	5.7
267.10071	2.7
269.07947	2.3
271.09564	1.2
272.10257	0.8
283.09665	1.3
285.11111	5.3
297.11191	10.5
301.07410	1.0
301.10645	26.4
303.12244	1.4
313.10468	2.1
315.12149	11.8
321.09641	2.3
327.12140	1.2
339.10663	6.5
451.17459	1.2
463.17358	1.3
481.18549	0.9
493.18350	3.0
563.26270	3.0
564.17688	0.7
564.26630	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65836	0.4
53.03937	0.4
55.01860	0.8
57.03432	0.7
59.04989	0.6
65.03902	0.6
67.05490	0.5
69.03413	3.9
69.07040	0.7
70.06528	0.5
74.09705	0.8
77.75529	0.4
78.04688	1.7
79.05473	3.2
81.03391	0.6
81.07027	1.9
83.04974	0.6
85.02878	1.1
89.03886	0.6
91.05459	11.7
93.07025	1.0
94.04148	0.7
95.04933	2.6
97.02856	0.7
99.04400	0.4
103.05446	2.2
105.03375	2.0
105.07011	2.9
106.04133	0.9
107.04948	4.9
109.06529	7.2
111.04459	0.6
117.03351	0.6
119.04918	7.6
119.08508	0.6
121.06483	5.5
122.03616	3.1
123.04408	6.6
124.05201	1.7
125.05946	0.7
130.04172	0.5
131.04918	3.4
133.02852	3.6
133.06453	1.7
134.03607	0.5
135.04366	2.3
135.07994	0.7
137.05959	58.8
143.08521	0.7
145.02815	2.6
145.06441	0.6
147.04390	11.1
149.05981	6.0
151.03899	0.9
151.07552	1.9
152.04639	2.2
152.06120	0.9
153.05452	1.8
153.06934	2.5
155.08546	0.9
157.10197	0.8
159.04425	0.9
159.11682	0.7
161.05936	5.5
162.06697	0.9
163.07478	2.0
165.05446	8.3
165.06963	6.4
166.07748	0.7
167.07010	100.0
169.06468	0.6
170.07228	0.6
177.05441	8.4
177.06886	1.0
179.06996	2.0
179.08495	0.7
180.07841	0.5
181.06435	6.3
181.07996	0.7
181.08479	0.6
182.07237	1.1
183.08080	4.5
183.51398	0.5
185.06003	0.8
191.06989	0.9
193.06444	3.0
194.07224	3.0
195.08020	2.9
196.05157	0.7
197.06117	1.1
197.08076	8.3
197.09633	0.8
198.06720	1.1
199.07451	0.4
200.08397	0.6
207.08122	0.7
209.06003	2.1
209.08070	2.3
210.06657	1.9
211.07545	4.9
212.08379	0.7
213.09081	2.8
215.07071	0.7
221.05956	2.8
222.06767	2.6
223.07442	1.8
224.08362	1.0
225.09096	2.6
233.05940	0.7
235.07535	0.7
235.13318	0.5
237.09056	2.3
239.07001	2.1
240.07846	0.5
241.08586	2.9
242.09235	0.6
243.06233	0.5
251.06953	1.0
252.07701	0.7
253.08582	3.0
253.14348	0.7
255.06439	0.5
255.10034	0.6
265.08539	6.7
267.10126	2.8
269.08258	0.8
271.09583	9.6
272.10419	0.7
273.11017	0.9
283.09573	1.1
285.11191	5.2
295.09656	0.7
297.11105	11.4
301.10651	25.8
303.12259	0.7
313.10617	1.0
315.12219	10.6
327.12234	1.9
339.12317	1.9
345.12885	0.5
351.12158	0.5
368.97177	0.5
451.17307	1.9
463.17432	2.4
475.17648	1.1
481.18744	0.7
493.18396	2.8
563.26245	0.8
564.26801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90595	1.0
55.01861	4.3
57.03415	4.1
61.02909	10.0
67.05504	0.9
69.03419	14.0
71.04971	1.2
73.02901	2.3
73.06548	1.1
81.03386	6.0
83.04962	1.8
85.02888	38.8
87.04446	2.1
91.03908	1.9
92.08882	1.4
97.02866	16.4
98.97528	1.4
99.04421	2.0
101.02369	1.8
101.58175	1.0
102.60943	1.1
103.05453	4.8
105.06987	1.9
109.02859	2.1
111.04394	1.6
115.03863	2.6
115.05405	1.4
118.04166	2.4
119.03401	7.4
119.04950	1.3
123.04377	1.6
127.03861	4.3
129.06961	1.8
131.04903	22.4
133.04956	1.8
133.06491	4.4
139.03830	2.0
141.06926	7.7
143.03358	5.3
144.05630	1.8
145.04935	6.1
145.06477	1.8
146.03586	2.0
147.04379	2.6
149.05934	1.5
155.07024	2.4
157.02899	1.4
157.06490	5.3
159.04399	4.1
159.07971	1.3
160.05159	1.6
161.05956	11.2
163.06082	1.5
167.07019	7.3
169.06400	13.4
171.04367	2.7
173.05945	5.7
174.03078	2.0
175.03894	6.7
175.07520	2.4
176.04695	4.3
177.05443	4.6
180.07800	7.0
181.04924	2.6
182.09346	1.7
185.05939	4.7
186.06703	7.3
187.03870	24.0
187.07495	4.6
189.01804	1.5
189.05421	15.6
190.06320	3.5
191.06990	44.3
192.07671	1.3
193.08586	2.7
197.05925	17.0
198.06836	1.3
200.04704	2.3
201.05415	4.1
201.09013	1.6
202.06195	1.1
203.03294	1.4
203.06999	5.0
204.04172	19.0
205.08640	5.3
206.05707	1.2
207.06374	4.5
211.07590	2.5
213.05534	4.5
214.06221	2.4
215.03320	1.2
215.06999	15.4
217.04955	9.5
217.08565	2.2
218.05620	7.5
219.06500	28.2
219.10005	1.3
221.08124	2.4
225.05452	1.4
226.06166	2.2
229.08546	9.6
230.05728	1.3
231.06543	8.1
232.07349	2.1
233.08005	5.3
234.05136	1.9
235.05898	1.7
239.06970	1.3
241.04881	2.5
242.05701	5.2
243.06499	10.9
244.03543	1.6
245.04369	11.5
245.07977	7.9
247.09610	14.6
249.07513	4.5
257.07986	16.4
260.06744	35.0
261.07556	1.6
262.04700	4.8
263.05475	1.9
273.07513	7.3
275.09082	100.0
277.06985	22.6
287.05408	14.2
301.07040	6.6
319.08063	33.9
337.09100	86.7
350.59320	1.2
355.10406	1.8
367.10330	1.6
385.11157	14.9
456.37845	1.2
475.97815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01865	15.4
56.08498	0.6
57.03430	4.1
61.02908	1.5
61.55518	0.7
65.03917	1.1
67.05479	4.3
69.03410	20.6
71.04971	1.4
73.02892	1.2
79.05464	1.3
79.42104	0.7
81.03397	3.4
83.04961	4.5
85.02887	27.4
87.00803	1.2
87.04449	1.4
91.05440	1.9
95.01334	1.2
95.04946	20.8
97.02861	10.1
99.04424	11.0
99.32189	0.7
101.02344	1.7
103.00273	3.6
103.05388	0.8
105.07011	7.9
107.04958	6.2
109.02809	3.6
110.03640	1.1
111.04408	0.9
113.02339	6.7
113.06030	0.9
115.05436	3.3
117.07017	0.9
121.02850	1.5
121.06490	1.2
123.04398	38.2
125.05968	1.0
127.03891	4.7
128.06242	1.6
128.21318	0.7
129.06984	3.6
131.04869	0.9
132.84889	0.8
133.06447	11.7
135.04402	0.9
139.03893	1.1
140.04674	8.8
141.05461	6.2
141.06491	0.7
145.04942	3.3
145.06445	3.5
146.03638	1.1
147.04453	0.9
147.08046	1.5
155.07013	19.2
156.05670	5.8
157.06456	8.7
159.02853	4.2
159.04245	0.8
160.05200	3.6
161.05959	13.4
162.03108	3.6
163.03877	5.0
167.06989	22.7
169.06464	0.9
172.05176	1.3
173.05923	1.7
175.03964	1.0
175.07501	4.1
176.03351	1.5
177.01859	0.9
177.05473	3.7
178.06250	1.3
180.08723	1.7
181.04939	13.9
183.06491	37.7
185.05962	5.4
187.03865	0.9
187.07532	1.0
188.04637	1.2
189.05432	3.2
190.02597	13.5
191.06995	1.9
192.04054	1.1
193.08598	3.8
199.07500	0.9
200.04657	1.2
201.05492	1.0
202.06270	0.9
203.07053	4.0
205.05029	1.0
205.08595	1.6
206.05690	1.2
207.02815	1.9
207.06445	3.7
208.03641	11.6
209.08192	0.9
213.05418	6.5
216.04115	1.7
217.04948	1.2
217.08551	5.6
219.06503	5.0
221.08017	5.5
223.05974	100.0
229.04971	3.9
230.05730	1.4
231.06618	1.7
233.08122	6.2
234.05193	3.2
244.07347	1.2
245.08044	12.7
249.07532	22.2
261.07556	3.7
264.36026	0.8
267.08621	1.9
267.88065	0.9
275.09045	9.2
289.06998	1.6
307.08078	1.1
323.07458	9.2
349.09113	3.1
367.10159	81.0
385.11063	1.7
480.42999	0.8
565.21124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62263	1.0
55.01857	1.2
55.05492	1.7
57.03419	7.0
57.07068	25.8
58.80841	0.9
59.04994	13.3
65.03934	4.7
67.05494	72.7
69.03417	99.4
69.07041	1.5
71.01344	1.2
71.04976	53.9
73.02901	4.3
79.05467	4.8
81.07044	12.5
81.32826	1.0
83.04953	1.1
83.08620	2.2
84.45827	1.2
85.02886	6.4
85.06532	66.4
87.04465	0.9
91.05472	10.2
92.08864	4.5
92.09413	1.6
93.07019	11.5
95.04952	28.4
95.08569	8.4
97.90381	1.0
105.07015	15.7
107.08569	10.8
109.02866	1.2
109.10139	4.7
113.05991	100.0
117.06994	6.2
119.08564	8.1
121.06487	1.3
121.10136	5.9
125.06009	1.8
128.06197	1.4
129.06981	5.8
131.07022	68.4
131.08472	11.1
133.10112	7.7
134.77911	1.1
135.11676	6.8
141.06924	1.7
143.08546	6.2
145.10127	10.6
147.11661	9.8
149.13213	2.1
155.08554	5.6
157.10112	7.3
159.08038	1.6
159.11635	10.3
161.09679	1.3
161.13213	8.5
163.07491	2.1
163.11160	1.4
167.00412	1.1
167.08647	1.2
169.10097	2.5
171.11703	3.5
173.13206	1.4
175.07574	5.3
175.14830	1.5
177.09048	1.4
181.10062	4.6
183.11618	6.8
185.13190	4.4
187.14755	1.7
189.09030	4.5
193.10168	1.1
195.11612	4.8
197.13239	4.4
199.11208	1.6
199.14719	2.0
209.09589	2.6
209.13266	4.6
211.11243	2.3
211.14738	1.7
213.16335	1.8
215.17894	2.0
221.13261	1.6
223.14774	1.4
227.10616	6.4
227.14348	1.2
229.12131	5.9
235.14908	1.1
237.16437	1.1
241.12061	1.5
243.13899	1.2
249.16492	1.9
251.17905	1.2
253.19356	2.4
255.13954	1.2
277.19434	1.3
291.21008	1.5
309.21765	1.3
319.20578	5.0
337.21515	42.9
355.22623	51.6
355.27008	1.9
373.23651	49.1
503.30106	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	563.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87567	0.6
51.02621	0.5
51.69666	0.6
53.00285	0.6
53.03929	1.1
53.96006	0.5
54.10888	0.5
55.05494	1.0
57.03415	2.8
59.04992	5.2
63.82749	0.6
67.05477	3.8
69.03411	91.3
69.07038	0.6
71.04961	4.4
79.05444	2.3
79.43089	0.8
81.03381	7.0
81.07029	5.6
82.00621	0.7
83.08585	0.9
85.02877	0.9
87.04435	3.5
91.05466	5.6
93.07036	5.2
95.04957	1.1
95.08570	4.5
97.28370	0.7
99.04428	100.0
105.07011	7.6
105.07654	0.9
107.08590	5.8
107.09215	0.6
109.10109	3.0
113.05939	1.6
117.06955	2.8
119.08561	5.8
121.10078	2.9
128.06242	0.8
129.07014	2.5
131.07007	16.6
131.08514	5.5
133.10097	3.5
135.11676	1.1
139.97775	0.6
141.06964	0.9
143.08521	2.7
145.10083	5.1
147.11658	3.9
149.13197	1.2
155.08498	3.4
157.10098	3.0
159.11676	5.1
161.13231	3.2
167.08521	0.9
169.10033	1.2
171.11650	1.5
173.13254	2.3
175.07504	1.5
181.10120	1.1
183.11650	2.9
185.13109	1.5
186.91777	0.7
193.10094	0.8
195.11662	1.0
197.13171	1.4
199.14842	1.2
209.13136	0.9
211.14755	0.8
215.17795	1.2
227.10603	3.1
229.12199	2.7
235.14746	0.7
255.13750	1.2
291.21149	1.4
309.21918	1.0
319.20517	1.5
337.21542	19.3
337.25446	0.8
355.22629	19.1
373.23645	20.5
407.26627	0.8
449.89786	0.7
503.29819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84357	0.5
53.03929	3.7
53.51802	0.4
53.69967	0.4
55.01862	1.4
55.05491	0.7
57.03415	2.9
57.08984	0.6
59.05003	0.7
59.87239	0.5
61.02898	4.0
67.05476	1.5
69.03412	12.9
69.07050	0.8
71.04963	1.2
73.02876	1.4
78.04689	3.5
79.05472	9.6
81.03392	4.9
81.07025	3.8
85.02883	19.9
85.06523	5.0
86.09682	0.9
91.05451	6.7
93.07016	4.6
94.29868	0.5
95.04929	4.7
95.08578	1.5
97.02855	8.9
97.06500	0.7
99.04431	1.3
103.05436	0.7
105.07030	4.8
106.04162	1.3
107.04942	13.3
107.08553	2.8
109.02855	2.7
109.06496	0.9
109.10136	0.9
111.08040	1.2
115.03907	0.7
115.05425	2.6
117.03292	0.7
117.06956	1.2
119.04900	1.3
119.08552	2.8
121.06475	3.3
121.10108	1.4
123.04414	11.4
124.05182	6.2
125.05937	1.4
125.09625	0.9
127.03901	3.2
128.06194	5.9
129.06950	3.9
131.04871	1.4
131.08560	5.0
132.05684	0.8
133.06516	1.0
133.10078	0.9
135.04358	1.0
137.05937	1.3
141.06963	3.1
142.07718	0.8
143.08536	4.0
143.10631	0.9
144.05617	3.3
145.04924	0.9
145.06451	1.2
145.10103	2.6
147.04393	1.3
147.11729	2.3
149.05905	1.0
151.03883	2.6
152.04623	4.2
153.06963	3.0
155.07037	1.2
156.05650	14.3
157.06438	4.3
158.07246	1.0
159.08026	6.5
159.30479	0.6
161.05933	3.1
163.03955	1.8
167.06995	100.0
170.07236	9.1
171.08047	6.8
173.05934	2.6
174.06734	1.1
175.07666	0.7
176.08226	1.1
177.05362	3.1
179.06975	3.4
181.04916	2.3
181.08630	6.1
184.05211	3.9
187.07489	7.1
188.08368	2.2
189.09009	1.1
190.06128	0.7
193.08600	1.5
198.06760	3.2
199.07564	6.0
202.06233	5.4
203.06857	0.8
203.10582	1.1
204.07880	0.8
205.06631	0.8
205.08563	3.8
207.08173	0.7
207.10081	0.8
208.08751	1.1
215.06979	2.9
215.90230	0.6
216.07735	3.2
217.06779	1.2
217.08545	34.1
219.08000	4.3
219.10033	0.8
220.08801	0.9
221.07945	0.9
229.08484	0.8
230.07259	0.8
231.08066	2.0
231.10095	22.7
233.09680	1.1
233.15326	1.0
235.07523	1.2
247.07333	4.8
247.09595	3.6
248.08211	3.2
249.05585	0.8
249.09015	1.1
250.09831	0.9
251.10649	1.0
251.16376	0.9
261.08987	2.9
262.09958	0.8
263.07086	1.3
263.10431	1.2
264.07724	3.3
265.08539	1.2
275.06943	0.7
276.07770	1.3
277.08487	1.5
278.05756	0.6
278.09311	1.5
279.10107	3.0
283.09720	0.7
283.51462	0.7
290.09323	1.4
291.10114	2.5
292.07263	0.8
293.07913	1.5
293.11679	1.1
294.08636	0.7
295.09329	0.7
296.10410	0.8
305.08041	0.7
305.27692	0.8
307.09534	2.3
308.10486	1.0
309.07532	1.5
315.08548	1.2
319.09479	0.9
321.10995	1.5
322.08392	0.8
323.09171	1.3
323.12625	1.4
337.10706	3.8
351.12296	1.5
353.10068	2.4
368.12518	2.5
383.14780	17.0
385.16367	15.0
401.15854	5.7
481.43414	0.8
562.24805	0.8
563.24786	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01852	2.2
57.03416	1.9
57.65963	0.3
59.06101	0.5
60.05646	0.7
60.08151	1.4
60.71423	0.3
61.02916	3.6
65.03922	0.4
67.05497	0.4
69.03414	10.0
69.97142	0.4
71.04973	0.7
73.02892	0.5
78.04676	3.5
79.05477	8.1
80.27300	0.4
81.03387	4.2
81.07027	0.9
85.02890	17.0
87.04443	0.6
91.05454	4.5
93.07024	0.9
95.04922	4.0
96.05774	0.4
97.02874	6.4
99.04429	0.6
103.05402	0.6
105.03318	0.5
105.07036	1.7
106.04136	1.6
107.04939	16.2
109.02856	2.5
109.06487	0.5
109.10081	0.4
115.05425	2.3
116.06217	0.4
117.06986	0.9
119.04904	0.9
121.06478	2.8
122.03637	0.6
123.04394	9.9
124.05208	5.9
125.05971	1.8
127.03896	2.4
128.06204	6.0
129.07007	2.9
131.04886	0.8
131.08537	2.5
132.01965	0.6
133.06461	1.9
137.05952	1.6
141.06956	4.0
142.07758	0.6
143.04913	0.4
143.08522	4.0
144.05670	3.1
145.04889	0.8
145.06462	2.1
147.04417	0.8
148.05132	0.5
149.05936	0.5
151.03870	2.3
152.04671	4.2
152.05962	0.5
153.06940	1.9
155.05954	0.5
155.07056	1.6
156.05670	15.4
157.06448	5.1
158.07225	1.5
159.08043	5.9
161.05898	0.6
166.06184	0.9
167.07002	100.0
169.06384	0.5
170.07204	7.3
171.08020	6.4
172.05174	0.9
173.05940	1.8
174.06769	0.5
175.07507	0.5
177.05415	1.5
179.07060	3.4
179.08438	0.6
181.08572	5.4
181.09976	0.5
184.05144	2.9
186.06734	1.8
187.07489	8.1
188.08270	1.5
190.06264	1.5
191.08516	0.8
193.08572	1.9
198.06726	2.5
199.07532	8.1
200.08328	0.5
201.05396	1.4
201.09081	0.8
202.06189	6.2
202.07796	0.7
203.08543	1.5
203.10574	0.8
205.06853	0.6
205.08511	3.8
207.08170	0.5
208.08743	0.6
215.06949	2.5
215.08659	0.5
216.07843	3.3
217.08557	37.4
218.07195	2.7
219.08011	3.9
219.10155	1.6
220.08769	1.6
221.05975	0.6
229.08582	0.9
231.08023	1.9
231.10101	24.9
232.08752	0.6
233.09528	2.9
235.07472	2.2
235.11182	0.5
236.08238	0.5
246.06624	0.7
247.07597	4.1
247.09604	4.8
248.08281	3.5
249.05405	0.7
249.09076	0.8
250.09811	0.6
251.10542	0.7
259.07376	0.6
260.08359	1.6
261.09052	2.4
262.09827	0.9
263.06973	2.1
263.10489	2.2
264.07819	3.1
265.08533	2.0
265.12009	0.5
271.09610	1.0
275.06958	0.7
276.07742	2.6
277.08609	2.0
278.05716	0.5
278.09341	1.9
279.10037	2.8
281.07837	0.6
289.08386	0.8
290.09363	0.9
291.06985	0.5
291.09970	2.7
293.08005	3.5
293.11621	2.5
294.08856	0.6
295.09485	0.6
305.11481	0.5
306.08472	0.9
307.06403	0.5
307.09473	3.8
308.10355	1.7
309.07535	0.6
309.10849	0.4
315.08542	1.8
319.09601	0.8
321.07703	0.8
321.11151	1.8
322.08301	0.8
322.11896	0.9
323.09186	0.6
323.12738	2.2
325.10507	0.6
325.14148	0.6
330.10800	2.1
331.11533	0.6
336.09882	0.6
337.10559	2.2
339.12143	1.7
350.11530	0.6
351.12311	2.4
353.09918	2.5
353.13663	1.1
356.12384	0.4
368.12558	4.1
371.14655	0.5
383.14798	18.9
385.16409	15.2
401.15887	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	563.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.81634	0.7
55.01856	1.3
55.05523	0.6
57.03433	5.8
59.04987	1.2
61.02913	3.8
63.11951	0.5
64.33390	0.5
67.05481	0.7
69.03415	19.5
70.03758	1.1
71.04961	1.0
73.02902	1.3
73.93611	0.6
78.04682	3.1
79.05463	7.2
81.03407	5.1
81.07047	1.3
83.04947	0.9
85.02885	30.0
86.03204	0.9
86.09686	1.0
87.04444	8.4
91.05458	4.3
93.06996	1.2
95.04933	4.0
97.02870	14.1
99.04456	1.1
103.05434	2.6
105.07017	1.3
106.04153	1.5
107.04941	14.2
107.08583	0.7
109.02867	2.2
109.06527	0.8
111.04429	1.0
115.03909	6.7
115.05424	0.9
117.03329	0.6
117.06992	1.2
118.60734	0.5
119.04906	0.8
121.06455	2.6
122.03592	1.1
122.83994	0.6
123.04398	10.7
123.08020	0.6
124.05167	6.8
125.05938	2.3
127.03885	5.3
128.06192	7.0
129.06967	3.5
131.04900	1.1
131.08545	1.3
133.04962	6.5
133.06451	1.4
134.03607	0.8
135.04419	1.2
135.08020	0.8
137.05963	2.6
141.06973	3.7
142.07776	0.7
143.04932	0.8
143.08551	4.9
144.05721	2.7
145.02815	3.1
145.04955	4.9
145.06448	1.2
147.04340	1.0
149.05957	1.2
151.03856	3.4
152.04666	3.5
153.05412	1.1
153.07001	2.3
155.07030	2.4
155.08403	1.0
156.05678	17.0
157.06451	3.9
158.07272	1.2
159.07974	5.9
161.06038	2.3
163.03847	1.5
163.05968	1.5
166.06281	0.7
167.07002	100.0
169.06425	0.8
170.07213	6.7
171.07991	8.2
172.05130	1.1
173.05989	2.5
174.06715	0.7
177.05432	5.9
179.06972	5.1
179.08377	0.7
181.08546	7.3
184.05142	3.9
185.05885	0.9
186.06711	0.8
187.07489	7.9
188.08313	2.6
189.09126	1.0
193.08531	1.3
197.07925	1.0
198.06659	2.1
199.07521	8.1
201.05441	0.9
202.06239	6.2
202.07855	1.0
203.08723	0.7
203.10625	1.5
205.06821	0.7
205.08546	5.9
207.06540	0.9
215.06987	3.5
216.07838	2.4
217.08559	41.7
218.07167	2.6
219.08055	4.6
219.10133	1.1
220.08778	0.6
221.05986	1.2
229.08542	1.1
231.07990	2.9
231.10109	23.6
232.08640	0.9
233.09578	2.6
235.07594	1.5
236.08215	2.5
247.07359	1.4
247.09592	2.5
248.08258	3.6
249.09004	1.4
251.10623	0.7
259.07721	1.0
261.09036	2.9
263.06873	2.3
263.10571	1.3
264.07733	3.0
264.82541	0.7
265.08456	1.0
267.06921	0.7
271.09921	0.8
273.09186	0.7
275.07028	1.1
275.10300	0.7
276.07700	1.0
277.08630	2.7
278.09158	1.2
279.10126	2.8
281.07825	0.7
287.00537	0.6
291.10034	4.2
292.07352	0.7
293.07959	1.4
293.11682	0.8
295.09875	1.4
307.09537	1.6
308.10263	1.4
321.11246	1.0
322.08182	0.8
323.12936	0.9
325.10840	1.1
330.10898	1.3
337.10687	1.4
339.12204	2.7
351.12173	1.4
353.10092	2.5
355.11649	1.0
368.12326	2.6
371.14890	1.2
383.14835	15.9
385.16446	14.1
401.15796	3.1
431.18341	1.0
458.50845	0.7
563.25568	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	11.6
59.04984	13.2
67.05492	37.6
67.76199	6.1
69.03420	9.6
71.04982	14.6
79.05447	6.4
81.07043	17.7
85.02838	7.0
85.06544	17.6
91.05470	10.5
93.07003	12.3
95.04923	24.0
105.07000	13.8
113.05980	100.0
131.08583	7.3
145.08609	7.1
146.72537	8.7
159.11661	8.0
199.59315	7.5
208.68173	6.7
315.27515	8.1
373.23367	8.6
536.28979	10.3
559.67523	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	563.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56717	0.7
55.05496	3.5
57.03428	3.8
57.07071	1.0
65.03925	1.7
67.05490	4.2
67.13003	0.8
69.03416	7.9
69.07035	2.0
70.06573	1.5
71.04970	1.2
79.05480	4.2
79.27766	0.9
81.03386	1.6
81.07040	5.6
83.04958	4.6
83.08623	1.3
84.08120	1.6
85.02895	6.1
85.06528	2.2
86.09687	5.2
87.04435	3.5
91.05457	13.1
92.05803	0.9
93.07040	5.6
93.54463	1.1
95.04937	4.4
95.08580	5.8
97.02859	5.9
97.06509	1.3
101.06026	1.0
103.05439	8.8
103.62913	0.9
104.06203	3.2
105.07014	7.7
106.34060	0.9
107.04951	4.3
107.08585	4.0
109.10142	4.0
111.08042	1.0
117.03375	2.1
117.07000	1.9
117.92558	0.8
118.04162	1.3
119.04926	12.7
119.08550	4.6
120.05279	3.6
121.05511	1.0
121.06490	4.6
121.10144	1.8
123.08025	1.2
127.03909	1.4
131.04907	30.3
131.08560	3.8
132.04686	1.1
132.05688	34.9
133.02814	1.1
133.06487	1.7
133.10130	2.1
135.04370	3.4
137.05960	4.0
137.09589	1.2
143.08545	1.7
145.02850	3.8
145.10095	4.0
147.04404	12.1
147.11655	1.8
148.05055	1.8
149.05962	4.7
149.09593	9.6
149.13260	1.2
150.09921	1.3
157.10013	1.0
159.04413	3.6
160.05167	17.5
161.05943	3.5
163.03879	7.3
163.07487	4.1
164.04338	1.1
165.05472	3.4
167.06995	7.3
171.11511	0.9
173.05943	1.4
175.03899	10.9
175.11163	1.1
176.04274	7.4
177.05464	23.1
179.07034	7.2
180.07788	8.5
181.04947	3.9
187.03908	5.2
191.06995	19.7
192.07774	100.0
199.03979	0.9
207.06512	18.7
208.06804	6.8
209.06998	2.0
215.14191	1.7
217.61224	1.0
229.90706	1.0
233.15347	8.3
234.15631	3.7
251.16353	1.2
293.08057	1.0
321.07501	1.5
341.10074	2.0
353.10123	15.1
371.11234	21.1
563.33087	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	17.7
57.03429	19.5
67.05492	26.2
69.03408	7.3
69.07049	7.1
71.04965	3.7
73.06530	2.1
79.05482	20.3
81.02927	3.9
81.03396	100.0
81.07026	25.7
83.04948	12.0
83.08603	24.6
85.02885	12.8
85.06519	2.0
86.55128	1.7
91.05447	28.2
93.07022	21.3
95.04944	27.3
95.08586	9.2
97.02861	1.9
97.06511	6.7
97.10137	7.5
105.07001	29.0
107.04924	10.7
107.08566	10.5
109.06498	7.1
109.10155	2.6
111.04420	3.2
111.08068	6.9
113.05981	6.8
115.05382	1.7
117.07009	1.8
119.08553	21.8
121.06486	3.4
121.10123	9.9
123.08063	2.2
125.09618	1.8
129.06941	16.3
131.08501	14.5
133.09181	1.9
133.10121	10.1
142.07724	2.1
145.06477	3.3
145.10110	2.8
146.31044	1.6
147.08038	6.0
147.11618	17.8
149.09595	8.1
157.10110	12.2
159.11583	1.8
163.11218	2.9
175.11171	10.4
193.12196	27.7
211.13341	12.9
233.92676	1.8
267.15826	64.3
285.16864	13.1
291.19492	2.1
349.21835	2.6
367.22510	2.8
385.23703	8.1
433.25635	3.0
441.26328	2.5
459.27286	38.9
477.28366	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	562.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
54.81903	0.1
55.05498	1.1
57.03426	1.9
57.07056	0.1
59.04991	0.9
60.14384	0.1
61.02902	0.1
61.68536	0.2
67.05499	0.6
69.03061	0.3
69.03413	5.7
69.07048	1.0
75.04456	0.2
77.03913	0.2
77.66159	0.2
79.05470	2.5
81.03394	0.2
81.07038	0.8
83.04986	0.2
83.08609	1.0
85.02889	3.7
87.04443	3.4
91.05463	3.3
92.08665	0.3
93.07020	3.4
95.04956	1.7
95.08585	0.9
97.02863	3.6
97.06525	0.3
103.05435	1.5
105.07011	66.7
107.04967	0.2
107.07956	0.1
107.08588	1.0
109.06467	0.2
114.45184	0.1
115.03917	3.6
115.05419	1.1
117.06978	1.9
119.04916	0.7
119.08550	3.0
120.05174	0.2
121.06472	0.3
121.10124	0.3
123.08024	0.1
127.03912	0.3
127.05350	0.2
128.06195	19.3
129.06990	5.3
130.07755	0.8
131.04893	0.1
131.08542	5.7
133.04953	3.0
133.06523	0.2
133.10043	0.3
135.08023	0.2
141.06958	2.5
142.07759	8.1
143.08537	100.0
144.09216	1.0
145.05371	0.2
145.06476	1.7
145.10107	4.3
147.08035	0.6
147.11609	0.2
148.14281	0.2
150.07635	0.2
155.06029	1.4
155.08499	2.1
156.09311	4.3
157.10100	19.1
159.07967	0.4
159.11662	7.7
167.08542	0.2
169.10109	0.6
170.10896	1.8
171.11662	0.8
173.09517	0.3
173.13196	0.3
175.03844	0.2
176.04236	0.2
182.10869	0.3
185.13219	26.9
187.14806	0.9
197.13235	0.8
203.14299	2.0
207.06407	0.6
215.14279	1.6
233.15323	1.3
251.16454	0.2
277.25909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
53.07523	0.2
57.03428	0.6
57.16878	0.2
58.88645	0.2
64.85915	0.2
65.70200	0.2
67.05482	0.3
69.03415	2.7
69.07051	0.4
71.04973	1.1
79.05474	0.4
81.03390	3.4
81.07030	0.9
81.60973	0.2
85.02879	3.2
86.09691	0.4
87.04458	0.4
91.05444	0.5
92.08693	0.4
93.07010	0.4
95.04929	0.5
95.08585	0.3
97.02864	8.9
97.06491	0.2
99.04433	1.3
101.83877	0.2
103.05424	0.3
105.07021	0.4
107.04893	0.2
107.08556	0.4
109.02845	3.0
109.06480	0.4
111.04444	0.3
119.04909	0.3
121.06453	0.5
121.10131	0.4
123.04426	0.3
127.03870	3.1
128.04936	7.1
131.04901	0.4
137.05949	1.2
145.02776	0.5
145.10104	0.4
146.05981	100.0
147.04388	0.4
147.06355	0.3
149.05962	1.2
163.03889	0.3
167.07013	4.3
174.05464	49.2
177.05434	2.5
180.23640	0.2
209.08064	0.5
215.14238	0.3
227.09099	1.1
282.07590	0.3
300.08606	22.0
318.09665	5.8
336.10641	1.9
380.50800	0.2
561.24738	1.1
562.24963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70787	0.1
56.59798	0.1
67.05467	0.2
69.03413	0.5
79.05470	0.3
83.92920	0.1
85.02895	0.3
85.06532	0.6
86.54699	0.1
87.04452	0.2
91.05439	0.3
93.07024	0.7
95.04933	0.1
97.02865	0.5
103.05444	4.9
107.04945	1.7
109.07098	0.1
113.06077	0.1
115.03895	0.3
117.28953	0.2
118.32851	0.1
119.07334	0.1
120.08078	100.0
121.08430	0.3
131.04909	2.7
133.04973	0.2
136.06178	0.2
149.05960	1.7
166.08598	26.9
173.80420	0.1
265.12402	0.1
298.13019	0.2
415.22534	0.1
493.28201	0.2
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
50.59650	4.2
55.01857	10.3
55.05504	50.6
57.03429	6.8
57.07058	6.3
60.57032	4.2
60.85484	4.6
61.71336	4.6
63.39812	4.3
63.79651	4.5
67.05495	100.0
69.07055	22.9
79.05465	87.2
81.03373	9.1
81.07036	68.3
83.04973	12.6
83.08600	29.9
91.05467	55.8
92.08614	9.2
92.09179	27.9
93.07025	78.7
95.04946	11.2
95.08591	51.6
95.21031	5.1
97.10145	30.3
101.95611	4.8
105.07026	41.5
107.08566	49.9
109.10128	30.5
111.04427	6.9
112.56688	5.4
117.07005	28.5
119.08566	35.3
121.06487	7.4
121.10111	32.9
123.11733	6.5
125.09612	23.9
128.21336	5.2
129.06989	11.7
131.08537	36.4
133.10115	27.3
135.08073	5.4
135.11665	28.8
143.08560	8.9
145.10114	37.6
147.11719	8.3
149.13390	6.0
155.08485	6.9
157.10132	9.3
159.11729	9.3
163.11148	8.1
167.08463	5.6
171.11679	9.6
173.13258	5.6
187.14784	9.1
227.12712	8.5
283.15216	10.8
299.23651	12.6
335.25793	26.1
451.31879	7.2
525.35742	22.5
543.36597	89.5
561.37628	34.4
573.45831	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	562.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
53.07523	0.2
57.03428	0.6
57.16878	0.2
58.88645	0.2
64.85915	0.2
65.70200	0.2
67.05482	0.3
69.03415	2.7
69.07051	0.4
71.04973	1.1
79.05474	0.4
81.03390	3.4
81.07030	0.9
81.60973	0.2
85.02879	3.2
86.09691	0.4
87.04458	0.4
91.05444	0.5
92.08693	0.4
93.07010	0.4
95.04929	0.5
95.08585	0.3
97.02864	8.9
97.06491	0.2
99.04433	1.3
101.83877	0.2
103.05424	0.3
105.07021	0.4
107.04893	0.2
107.08556	0.4
109.02845	3.0
109.06480	0.4
111.04444	0.3
119.04909	0.3
121.06453	0.5
121.10131	0.4
123.04426	0.3
127.03870	3.1
128.04936	7.1
131.04901	0.4
137.05949	1.2
145.02776	0.5
145.10104	0.4
146.05981	100.0
147.04388	0.4
147.06355	0.3
149.05962	1.2
163.03889	0.3
167.07013	4.3
174.05464	49.2
177.05434	2.5
180.23640	0.2
209.08064	0.5
215.14238	0.3
227.09099	1.1
282.07590	0.3
300.08606	22.0
318.09665	5.8
336.10641	1.9
380.50800	0.2
561.24738	1.1
562.24963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81253	4.4
55.01868	8.7
55.05497	59.2
57.03422	20.7
57.07068	4.1
67.05498	79.7
67.18375	4.2
67.33751	4.1
69.07045	28.2
71.30259	4.6
79.05478	67.9
81.03405	11.5
81.07030	100.0
83.04960	22.2
83.08598	28.2
85.02886	6.0
91.05463	63.4
92.51115	4.4
93.07014	80.3
95.04944	9.8
95.08581	43.0
97.06506	7.2
97.10155	38.1
105.07025	39.5
107.08584	48.3
109.10130	26.6
111.04425	6.0
117.06966	36.1
119.08578	44.0
121.06470	4.9
121.10123	26.2
125.09600	25.0
129.06967	9.1
131.08568	37.1
133.10100	18.5
135.08044	5.4
135.11681	20.5
143.08510	9.6
145.10085	40.6
147.08057	5.3
147.11685	18.9
155.08553	5.9
157.10103	12.0
159.11676	10.6
161.13170	8.7
163.11066	8.2
164.61830	5.8
171.11681	8.4
173.13339	9.3
183.11670	7.8
185.13237	11.6
189.54863	5.2
227.12827	19.5
261.21976	7.9
283.15240	9.9
299.23557	7.8
335.25766	11.2
393.29047	5.2
397.70297	5.0
451.31741	8.0
469.32895	5.6
525.35492	19.9
543.36761	94.0
561.38269	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17924	4.7
53.32945	4.3
53.91161	4.2
55.05490	27.2
56.80664	5.8
57.77722	5.2
67.05486	100.0
68.28450	5.7
69.07049	23.4
76.56857	6.3
79.05459	36.0
80.07809	6.1
81.07031	64.6
83.08620	10.6
86.47787	6.8
87.32092	5.6
91.05470	25.3
92.08929	29.8
93.07015	47.9
95.08574	69.0
105.07000	7.9
105.38056	6.2
107.08585	32.3
109.10132	87.1
109.11971	5.5
117.07027	6.7
119.08515	10.7
121.10136	13.2
125.09621	7.4
131.08533	7.7
133.10057	9.7
134.96448	5.9
135.11618	12.8
137.09616	8.4
145.10123	7.4
161.13269	8.3
163.74213	5.9
173.11703	14.2
175.14781	6.6
206.62135	5.2
223.23016	6.3
229.14343	32.9
243.21042	10.1
261.22089	20.3
279.23300	9.3
312.72272	6.2
348.97565	6.2
353.26810	12.5
507.36429	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	561.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11525	0.3
51.83523	0.3
60.31289	0.3
65.03926	1.9
67.05517	0.5
68.72857	0.3
69.03395	0.5
77.03914	0.7
79.05469	0.4
88.47890	0.4
89.03904	4.0
91.05457	53.6
92.08981	3.0
95.04945	0.5
103.05423	0.5
105.03375	0.7
107.04934	0.7
108.05720	0.5
117.03344	2.9
118.04126	0.8
119.04916	74.5
120.05295	0.4
129.03381	0.8
129.04494	0.6
131.04898	0.5
131.07440	0.4
132.02042	4.8
133.02861	0.6
135.04388	6.8
136.05168	1.6
145.02811	5.0
146.03636	0.6
147.04384	60.4
148.04750	0.3
149.02368	3.0
150.03127	0.5
157.03955	6.3
160.01526	0.4
163.03868	15.1
164.04686	2.9
165.12689	0.4
174.03055	0.4
175.03864	85.8
176.04309	0.6
179.06996	7.1
183.61417	0.4
192.04016	0.5
207.06487	100.0
208.06851	0.7
219.08559	0.4
256.59378	0.4
266.18213	0.7
303.39557	0.3
351.95889	0.4
458.08093	0.4
543.14929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87991	0.9
53.00277	1.1
53.89547	0.9
55.01848	1.7
55.04788	0.9
55.05498	1.8
57.03427	15.8
57.07057	9.7
61.63347	0.8
65.03915	7.3
66.82637	1.0
67.05492	75.9
67.61816	1.1
69.03414	61.0
71.04976	28.9
74.35742	1.1
79.05458	4.7
81.07047	10.9
83.04956	12.3
83.08601	1.0
85.06541	8.2
91.05449	6.1
93.07001	6.4
93.17898	1.0
94.46303	0.9
95.04947	74.5
95.08578	5.4
97.02863	0.9
105.07020	8.7
107.08557	6.0
109.10175	4.5
113.05986	100.0
117.06988	1.4
119.08549	5.5
121.10106	4.6
125.05946	1.3
129.06958	2.3
131.08508	6.3
133.10127	4.1
135.11693	1.3
143.08511	4.9
145.10091	6.1
147.11629	4.5
152.07832	1.1
155.08423	1.6
157.10083	5.4
159.11612	5.1
171.11624	1.8
173.13304	1.9
175.14746	1.3
181.10126	5.0
183.11600	1.7
185.13203	1.7
187.14644	1.5
195.11647	1.9
201.16313	2.0
223.14886	1.7
227.10533	1.9
227.17908	7.3
275.17941	1.8
289.19641	1.5
317.19110	1.8
325.21432	1.5
335.19861	9.5
353.21072	33.8
371.22086	19.7
413.23233	2.3
431.24237	18.5
523.41016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40014	14.8
55.05500	23.0
67.05484	71.3
79.05470	72.0
81.07016	81.1
83.08586	20.7
91.05458	24.3
93.07011	31.0
95.08591	100.0
101.16949	14.9
101.56165	16.5
107.08560	33.6
107.12392	18.3
109.10116	31.7
121.10131	22.6
128.04544	15.3
135.11674	18.4
145.77867	18.6
163.14740	17.2
173.13269	17.1
235.65453	22.5
261.22028	64.4
306.36832	21.5
307.71710	19.5
335.25604	21.7
353.26880	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01862	3.5
55.05512	1.7
57.03431	20.4
59.04986	4.2
60.04506	0.7
61.02901	7.1
63.77473	0.6
67.05508	0.9
69.03416	78.0
69.07049	6.9
70.06577	0.7
71.04980	3.8
73.02898	4.7
73.76330	0.6
75.04467	1.7
79.05479	1.5
81.03409	6.2
81.07036	4.0
83.01331	0.7
83.04965	4.3
83.08616	1.8
85.02888	100.0
85.06529	1.3
87.04451	42.3
87.04987	1.7
91.03940	3.5
91.05473	1.0
93.07020	5.2
95.04925	2.6
95.08592	1.8
97.02866	65.3
97.06526	3.1
98.33414	0.7
99.04464	5.1
101.02347	3.7
103.03939	1.4
105.07034	1.3
106.06408	0.8
107.08598	6.1
109.02869	6.7
109.06488	3.1
109.10146	4.5
111.08060	5.8
115.03911	50.3
117.07005	0.8
117.39157	0.8
119.03432	1.2
119.08588	3.0
122.10513	1.0
122.62858	0.8
123.04396	1.1
123.08054	0.9
127.03885	17.4
133.04938	50.9
135.08044	3.9
137.05975	1.5
137.09583	1.5
139.03885	0.8
139.07536	0.8
145.03069	0.8
145.04939	27.7
147.08115	1.0
153.09077	1.6
155.10641	1.2
163.05991	11.5
165.09128	3.5
167.06929	1.3
167.14253	1.4
169.04976	0.8
172.91222	0.8
175.05994	6.7
183.10165	3.7
201.11198	3.8
204.14598	0.8
209.15483	1.1
210.15654	4.0
219.12206	4.4
229.07664	0.7
241.06963	1.2
249.09689	1.5
259.07990	6.2
277.09271	1.0
295.10211	7.9
325.11215	9.5
330.52908	0.8
335.09546	1.4
363.13998	0.9
398.08969	0.8
463.17300	0.8
463.23645	0.8
560.23938	5.4
561.24957	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	560.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.2
53.03938	1.8
55.01859	5.3
55.05500	4.5
57.03426	38.2
59.04987	11.0
61.02902	4.9
65.03922	4.0
67.05488	9.0
69.03413	56.9
70.06584	0.8
70.76578	0.8
71.04961	4.7
72.98257	0.8
73.02894	3.7
75.04464	11.8
79.05473	11.6
81.03397	5.8
81.07032	4.1
83.04964	35.9
85.02887	70.2
87.04452	24.5
89.05981	1.1
91.03939	2.0
91.05455	16.6
93.02847	0.9
93.03369	8.1
93.07016	14.3
94.04166	1.0
95.04925	14.0
97.02867	33.2
97.06509	28.0
99.04418	2.0
101.05995	13.4
103.03934	2.0
103.05437	1.7
105.07064	1.9
107.04922	1.9
107.08553	1.1
109.02853	12.2
109.06493	3.7
110.03648	1.5
111.04421	65.1
115.03904	18.3
117.05463	1.9
117.07018	1.6
119.04913	100.0
119.08629	1.1
121.02844	10.8
121.06476	24.5
123.04406	11.9
125.05033	2.0
125.05962	57.0
127.03891	10.5
129.05447	11.4
129.51732	0.8
130.01140	0.9
133.02826	3.6
133.04927	14.6
135.04375	1.7
135.08035	2.1
137.04984	1.9
137.05962	28.4
141.05460	1.1
143.07007	39.8
145.04907	8.7
147.04385	3.2
149.04729	1.9
149.05949	58.8
151.07561	5.1
159.06503	18.1
161.05983	1.1
163.03809	1.4
163.06285	1.1
163.07425	7.9
165.05318	0.9
167.06998	93.4
177.05592	1.0
182.81317	1.0
185.08047	60.7
191.06964	1.0
199.09618	68.8
217.10670	69.6
227.09103	0.8
249.13254	42.6
251.08926	1.1
259.08014	0.9
347.13379	3.3
379.15836	7.1
461.97485	0.9
501.84332	1.1
560.24371	1.6
561.24792	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01859	7.7
55.05502	2.4
57.03172	2.1
57.03429	42.0
57.07957	1.1
59.04987	13.1
59.08024	1.3
61.02907	2.5
65.03916	2.8
67.05487	8.7
69.03413	57.9
71.04971	5.8
73.02885	2.7
75.04478	14.6
79.05482	17.5
81.03410	6.8
81.07019	2.7
83.04964	37.1
85.02889	81.1
87.04446	26.4
89.15852	1.4
91.05465	16.4
92.09335	1.3
93.03391	8.0
93.07022	17.8
95.04951	15.7
97.02869	36.7
97.06508	32.9
99.04429	5.1
99.73817	1.5
101.06023	11.6
103.03902	2.0
103.05440	2.2
107.04911	2.1
109.02855	6.7
109.06506	5.5
109.10118	1.5
110.03637	1.5
111.04427	68.2
115.03912	23.5
119.04920	100.0
119.08558	1.3
121.02806	9.5
121.06481	25.0
121.71410	1.4
123.04393	7.7
125.05967	58.5
127.03896	11.8
129.05450	13.6
131.04942	1.5
133.02853	2.4
133.04953	11.8
135.08005	1.7
137.05971	30.7
143.07014	39.3
145.04930	11.6
149.05963	68.2
151.07564	6.4
159.06520	19.4
163.07530	11.1
167.07005	87.8
185.08057	70.7
199.09631	73.5
201.11156	1.3
205.33154	1.4
217.10680	76.2
249.13266	52.9
297.53241	1.4
316.01355	1.3
327.14627	1.6
347.13113	2.2
379.15958	10.7
473.14365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.87599	0.6
55.01866	3.0
55.05498	3.4
57.03425	22.2
58.71842	0.7
59.04989	7.4
61.02908	1.3
65.03909	1.9
65.56378	0.7
67.05505	7.9
69.03416	37.9
71.04963	1.7
73.02895	1.7
75.04467	7.8
79.05485	5.4
81.03388	1.8
83.04967	30.4
85.02888	47.0
87.04452	14.7
91.03968	0.8
91.05475	7.2
92.90997	0.7
93.03365	4.8
93.07025	6.6
93.32915	0.6
95.04952	7.4
97.02877	22.9
97.06512	21.6
97.56407	0.7
99.04403	3.3
101.06010	10.6
102.78603	0.9
103.03901	3.1
103.05443	3.1
107.04948	3.2
109.02885	7.3
109.06516	0.9
111.04427	51.7
112.05338	0.8
113.05910	1.1
115.03914	11.4
115.95539	0.8
117.66257	0.7
119.04916	48.0
121.02847	4.2
121.06483	12.8
123.04391	7.0
125.05973	40.9
125.06748	0.9
127.03938	5.7
127.04707	0.7
129.05461	14.0
131.04903	3.0
133.04973	8.1
135.04408	1.2
137.05963	13.3
143.07019	38.5
145.04950	5.9
149.05954	27.8
151.07498	1.3
159.06490	11.6
163.07503	4.4
167.07007	100.0
185.08054	28.4
191.07042	1.8
199.09624	34.2
217.10674	52.2
219.08498	0.9
249.13289	35.8
313.10443	1.4
333.13132	1.1
345.13269	5.4
363.14059	0.9
379.16034	2.7
427.86307	0.8
579.69214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27872	0.1
55.01864	0.2
57.03440	0.2
63.15985	0.1
69.03401	0.6
73.84330	0.1
78.04684	1.2
79.05466	0.6
85.02880	1.7
86.17726	0.1
91.05455	0.7
95.04945	0.3
95.25530	0.1
97.02864	0.7
99.04448	0.2
103.05437	0.2
105.07030	0.2
106.04149	0.9
107.04928	0.8
108.90139	0.2
109.02866	0.2
111.04412	0.1
119.04896	0.7
121.06525	1.0
122.03610	0.2
123.04398	4.7
124.05189	1.8
131.04927	1.1
133.02921	0.1
133.06412	0.1
134.03613	0.2
137.05986	0.7
147.04401	0.3
149.05879	0.2
151.03899	0.9
151.07530	0.2
152.04672	1.2
153.05495	0.3
153.07016	0.2
161.05995	0.3
163.03897	0.3
165.05528	0.2
165.06935	0.2
167.07001	100.0
168.07335	0.6
173.05940	0.2
177.05455	0.1
180.08618	0.2
181.06468	0.8
181.08511	1.1
182.07281	0.2
183.08032	0.2
191.07004	2.4
193.08546	0.3
195.07967	0.1
198.06715	0.3
209.05963	0.2
209.15997	0.1
210.06746	0.2
211.07521	0.1
213.09081	0.7
218.40714	0.1
223.07559	0.2
225.09032	0.3
226.06245	0.3
227.06958	0.5
234.69649	0.1
237.05382	0.2
238.05927	0.1
239.06932	0.3
240.07768	0.2
241.08490	0.6
243.06483	0.2
253.08618	0.5
255.06438	0.2
266.13812	0.2
267.10013	0.3
270.08817	0.2
271.05902	0.2
273.11176	0.3
283.09317	0.2
284.10425	0.1
285.11145	0.6
295.09601	0.2
299.09256	0.2
301.10617	1.2
313.10654	2.3
314.11307	0.3
318.10941	0.2
333.13257	2.3
345.13254	10.4
363.14343	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	560.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70547	0.1
52.23152	0.1
53.03913	0.1
57.03421	0.1
61.02905	0.2
69.03407	0.2
78.04675	1.1
79.05449	0.6
79.63419	0.1
81.03378	0.2
85.02882	1.7
91.05456	0.7
93.07022	0.2
94.49454	0.1
95.04942	0.6
97.02857	0.7
99.04383	0.2
103.05437	0.3
105.06989	0.5
106.04149	1.0
107.04918	0.6
109.02848	0.2
119.04922	0.3
121.06487	1.4
122.03587	0.2
123.04403	3.9
124.05212	1.7
125.12148	0.1
127.03912	0.5
131.04878	1.0
133.02846	0.2
133.06494	0.2
134.03583	0.2
135.04395	0.5
137.04958	0.1
137.05960	0.8
143.20628	0.1
145.04956	0.1
145.06424	0.1
147.04387	0.2
149.06009	0.2
151.03868	0.6
152.04654	1.7
153.05469	0.6
159.04395	0.1
161.05951	0.2
162.07584	0.1
163.03886	0.5
165.05519	0.2
167.07001	100.0
168.07346	0.3
170.07220	0.2
173.05952	0.2
176.04724	0.3
177.05414	0.1
181.06465	0.6
181.08537	1.0
182.07167	0.1
183.08006	0.2
191.07002	2.3
193.08644	0.5
195.08000	0.2
197.06030	0.2
198.06630	0.4
201.51862	0.1
205.72336	0.1
207.08095	0.2
209.05962	0.1
210.06781	0.4
211.07520	0.2
213.08984	0.9
213.49261	0.1
223.07564	0.2
225.05426	0.2
225.09053	0.2
226.06284	0.2
227.07140	0.2
239.06871	0.2
241.08527	0.7
245.11517	0.1
252.07718	0.2
253.08502	0.7
267.10172	0.3
269.08069	0.5
270.08850	0.5
271.05911	0.2
273.11194	0.8
275.09094	0.2
283.82147	0.2
285.11142	0.3
286.08270	0.2
295.09537	0.6
298.08136	0.2
301.10599	1.3
302.11349	0.2
313.10623	2.8
314.11432	0.3
318.10632	0.2
333.13260	2.3
345.13263	9.4
346.13739	0.2
363.14334	2.2
410.17236	0.2
554.51886	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	560.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68176	0.2
53.00293	0.3
53.36531	0.2
55.01849	0.6
55.05485	0.6
57.03420	2.0
59.04959	1.4
61.02894	1.4
67.05498	2.1
68.26305	0.3
69.03419	6.2
69.07056	3.0
71.01351	0.3
71.04956	0.6
73.02888	1.1
79.05444	0.6
80.26920	0.3
81.03371	1.6
81.07013	1.8
82.97546	0.2
83.04950	0.6
85.02419	0.4
85.02887	7.5
85.06532	0.4
86.09682	0.4
87.04418	2.0
91.05425	0.5
93.07000	1.7
95.04927	0.4
95.08572	1.7
97.02869	4.7
97.06505	1.2
97.10115	0.6
97.14181	0.3
99.04420	1.3
104.36893	0.3
105.06999	1.2
107.01439	0.3
107.08542	0.5
109.02846	0.5
109.10134	0.5
111.11663	0.6
115.03898	0.4
119.08485	0.4
121.10106	1.7
125.57843	0.3
127.03900	1.7
129.06863	0.3
133.04942	0.5
134.04593	5.3
137.05919	1.2
137.09560	0.5
139.11107	2.7
143.08521	0.4
145.02782	0.6
145.04880	0.4
145.10054	1.0
147.04462	0.4
149.05888	0.3
152.05638	1.8
157.12204	1.1
158.07071	0.4
164.40115	0.3
165.02257	6.2
167.02539	0.3
167.03845	0.4
167.06984	1.6
175.09821	0.4
177.05458	1.4
181.05316	1.4
182.04921	100.0
183.05110	0.4
185.08176	0.6
190.03053	0.3
194.04958	4.2
200.09279	1.6
201.07620	0.3
201.12651	0.3
205.05411	3.9
216.04567	2.1
218.04990	0.3
219.07028	1.1
219.10014	0.3
221.08522	0.4
224.05905	1.2
231.06950	12.3
231.13681	0.4
231.15865	6.1
248.09592	23.4
249.16895	0.7
266.10641	43.2
314.08838	0.5
321.99307	0.4
398.14737	3.7
428.15927	23.9
459.56586	0.3
530.11090	0.3
559.23102	0.5
560.20038	23.7
561.24719	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3237
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03425	0.4
57.68459	0.3
67.05483	0.8
69.03408	1.3
71.04961	0.8
85.06511	0.6
95.04935	1.6
104.60846	0.3
105.81701	0.4
113.05997	2.9
114.16094	0.4
176.67316	0.3
210.19112	0.3
226.66019	0.4
261.29355	0.4
319.11450	0.5
341.73135	0.4
415.24734	0.5
452.27560	0.4
541.31207	0.4
559.32288	100.0
560.32458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18315	2.3
51.32757	2.1
53.03894	2.1
55.01847	2.2
55.05505	60.7
57.07064	20.2
59.54766	2.0
63.75548	2.3
67.05491	52.4
69.07051	100.0
71.04977	4.2
71.08632	2.6
79.05480	21.5
81.07037	83.8
83.04961	3.0
83.08610	57.2
83.44626	2.4
85.06538	2.9
85.10223	2.3
91.05462	14.1
93.07024	39.0
95.08584	72.9
97.06506	17.6
97.10143	63.2
97.49716	2.4
99.08073	4.6
105.07013	24.3
107.04922	3.4
107.08578	35.1
108.50319	2.7
109.10148	42.3
111.08072	5.4
111.11709	20.8
119.08549	26.6
121.10139	46.1
123.08029	3.8
123.11674	17.7
125.09582	3.0
125.13266	4.4
133.06494	3.2
133.10109	34.7
135.11659	37.7
137.09604	5.2
137.13257	9.9
139.11200	9.4
147.04439	2.5
147.11667	26.3
149.13272	10.2
151.11150	5.3
151.14777	10.2
151.45357	2.4
153.12709	9.2
161.13219	17.1
165.12708	5.4
175.14790	12.8
177.16257	3.5
179.14316	9.7
189.16415	2.5
193.19507	4.6
217.19472	48.5
235.20517	52.9
253.21576	70.1
254.69420	2.9
271.22595	45.7
281.63205	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62379	0.9
53.00316	0.9
54.81590	1.0
55.01841	1.5
55.05491	1.7
57.03423	15.7
57.07061	8.9
63.62708	0.8
65.03920	6.4
67.05490	73.1
69.03413	63.0
71.04604	1.5
71.04974	33.1
79.05466	4.2
81.07037	2.2
82.30529	1.0
83.04964	12.2
85.06538	12.1
91.05456	4.2
92.08579	2.3
92.09190	9.8
93.07009	5.3
95.04947	77.2
95.08620	1.3
99.44469	1.0
102.78278	0.9
105.06998	5.0
107.08566	1.9
109.06400	1.1
113.05988	100.0
113.24206	1.2
117.07005	2.1
119.08566	1.8
129.07007	1.9
131.08553	2.1
133.10091	1.4
141.06943	1.0
143.08537	4.9
145.08557	1.6
145.10146	2.3
147.11639	1.4
155.08553	2.2
157.10115	2.0
159.08047	1.2
159.11673	1.0
161.09636	1.2
165.06952	1.1
165.19342	0.9
167.08559	1.4
169.10023	2.3
171.11607	1.3
175.07474	1.2
179.08539	1.2
181.10083	3.6
183.11702	1.8
195.11679	4.0
197.09720	1.4
197.13191	1.4
199.14786	1.4
207.11586	1.2
223.18948	1.0
225.09122	1.5
235.14659	1.0
237.12949	1.0
245.15402	1.1
253.51602	1.0
305.18994	1.5
306.15524	1.0
309.18674	1.5
323.19894	2.1
333.18594	6.8
337.21548	1.4
351.19357	18.8
369.20486	20.4
387.21509	12.2
429.22507	1.6
447.23434	1.4
554.34674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.2
53.03920	0.6
54.81513	0.4
55.01854	3.0
55.05266	0.7
55.05501	13.0
56.37162	0.4
57.03426	13.9
59.04750	0.4
59.04986	6.4
59.94566	0.4
61.02903	1.0
67.05488	3.9
69.03410	43.8
69.07056	7.4
71.04956	2.4
73.02879	0.5
75.04443	3.3
79.05471	3.4
81.03371	0.9
81.07030	7.6
83.04958	16.5
83.08591	2.6
85.02882	34.9
85.06506	1.9
86.09658	0.8
87.04441	17.5
91.05439	6.2
93.07021	8.1
95.04937	24.6
95.08575	8.4
97.02253	1.0
97.02864	25.3
97.03489	1.0
97.06499	0.9
99.04423	1.0
100.93125	0.5
101.05997	7.1
105.06993	7.6
107.04957	0.6
107.08560	10.4
109.02838	1.2
109.06483	8.1
109.10136	8.7
111.04407	1.0
111.11688	0.5
115.03893	10.8
117.03293	0.5
117.06982	2.3
119.04917	5.3
119.08549	8.8
121.06486	3.0
121.10113	7.4
123.08045	1.0
123.11672	5.5
125.05956	1.0
125.09548	0.6
127.03908	1.2
128.25481	0.5
129.07008	0.5
131.08568	5.1
133.04926	7.2
133.10046	3.6
135.04346	0.6
135.08034	7.0
135.11630	6.9
137.05952	1.0
137.09578	2.6
137.13193	0.5
143.08528	1.8
145.02921	0.8
145.05009	0.7
145.10075	8.7
147.04385	3.6
147.07996	0.8
147.11652	7.0
149.09554	3.7
151.07504	0.9
155.08524	0.7
157.10101	0.9
159.07990	3.5
159.11650	4.6
161.09566	3.3
161.13193	2.3
163.03854	2.9
163.07584	0.6
163.11127	4.3
165.09077	0.8
165.12704	41.9
167.06970	2.7
169.10165	0.6
171.11594	3.4
173.09587	2.8
173.13202	0.9
174.74728	0.5
175.03879	3.7
175.14780	0.8
177.05496	1.1
177.09067	5.4
177.16325	0.6
179.10529	0.7
185.13217	0.5
187.11087	0.9
187.14850	3.4
189.12703	3.7
191.10652	5.5
201.16278	0.7
203.14258	0.7
205.15796	4.5
207.06479	5.0
217.15910	0.7
219.17429	0.7
229.15794	3.0
247.16879	20.2
265.17911	100.0
266.18051	0.6
279.03632	0.6
331.11636	0.5
378.07028	0.5
427.23083	7.6
559.29633	6.0
589.57642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15567	0.5
51.38363	0.5
53.00288	0.9
53.03925	0.7
55.01855	0.9
55.05499	16.1
57.03426	15.0
57.59424	0.5
59.04988	6.3
61.02896	0.7
62.61845	0.6
62.90899	0.7
67.05476	4.3
68.07085	0.6
69.03413	41.0
69.07059	5.7
71.04967	1.2
75.04462	2.9
76.29078	0.6
76.56931	0.7
79.05469	3.8
79.69780	0.6
81.03396	2.3
81.07039	7.4
83.04517	1.1
83.04960	20.5
83.08608	1.5
85.02885	37.8
87.04446	20.7
91.05472	4.6
92.08618	2.7
92.09263	4.7
93.07024	6.8
95.04944	25.1
95.08563	8.6
97.02869	25.7
97.06515	0.7
99.04393	0.8
101.05990	7.8
105.07012	9.4
107.08563	11.3
108.39973	0.6
109.02826	1.6
109.06483	9.1
109.10149	9.5
111.04391	0.7
111.08098	0.9
115.03909	13.5
115.05341	0.6
117.06958	1.4
119.04929	1.5
119.08560	8.6
121.06460	4.3
121.10107	7.5
123.04382	0.7
123.07989	0.9
123.11686	5.0
125.05981	1.3
127.03881	1.3
127.11170	0.7
131.08522	4.7
133.04930	7.6
133.10138	4.9
135.08014	9.1
135.11659	6.8
136.07567	1.2
137.05966	0.9
137.09583	1.6
139.07542	0.7
143.08588	1.3
145.02785	1.6
145.04892	0.9
145.10086	8.9
147.11642	7.5
149.09569	5.0
151.07478	1.1
159.08009	3.2
159.11613	3.6
161.09599	1.3
161.13203	3.0
163.07576	0.8
163.11127	4.5
163.14865	0.8
165.12704	39.6
167.06871	1.0
171.11650	2.9
173.09541	2.7
177.05464	3.2
177.09059	5.2
182.65341	0.8
187.14755	3.4
189.12738	4.2
191.10616	5.7
205.15776	5.9
211.14719	1.3
229.15794	3.7
245.05026	1.0
247.16859	20.5
265.17914	100.0
377.61661	0.7
383.49573	0.8
421.42709	0.9
427.23160	10.3
472.15671	0.7
559.29504	4.5
559.38135	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	558.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
54.82344	0.3
55.01844	0.4
55.05504	0.5
57.03427	3.6
57.07066	7.0
59.04993	4.8
59.72493	0.2
59.89228	0.2
62.19302	0.2
65.03930	1.8
67.05495	29.2
69.03416	16.4
69.07044	0.6
71.04978	25.4
73.06535	1.0
73.52144	0.2
79.05484	2.4
81.07037	4.6
83.04965	1.8
85.06530	35.7
87.04459	2.8
90.17824	0.3
91.05470	2.9
93.07029	3.6
95.04948	29.0
95.08591	2.0
97.14204	0.2
98.21523	0.2
99.08080	0.3
100.59184	0.3
101.06002	1.2
105.07018	4.6
107.04945	0.3
107.08582	3.3
109.06516	1.6
109.10134	0.5
111.04393	0.3
111.08073	0.3
113.05990	100.0
114.06292	0.4
117.07018	1.0
119.08569	2.7
121.10127	1.7
125.05966	7.4
127.07563	0.4
128.06213	0.2
129.07022	1.0
131.08562	2.6
133.10112	1.7
135.11702	0.5
141.06970	0.3
142.07712	0.3
142.81975	0.3
143.08539	1.7
145.08588	17.1
145.10092	2.8
147.08080	0.3
147.11664	1.3
149.13290	0.3
153.05449	5.2
155.07010	4.7
155.08455	1.0
157.10095	2.1
159.11705	2.2
161.13268	0.5
167.06953	0.3
167.08464	0.4
169.10114	1.2
171.11588	1.0
173.09592	0.3
173.13144	0.6
175.07584	0.3
175.14792	1.0
181.10135	1.0
183.11687	1.4
185.13249	1.4
187.14798	1.1
189.09050	0.3
189.16383	1.2
195.11674	1.0
197.13228	1.0
199.14835	1.2
201.08987	0.3
201.16385	4.0
209.13272	0.6
211.14806	0.5
213.16429	0.5
215.17873	0.6
221.13286	0.3
223.14806	0.3
227.17900	0.3
235.14761	1.1
249.16353	0.5
251.17973	0.5
253.59953	0.2
277.19449	1.1
291.20990	0.6
295.20523	0.3
309.18408	0.3
309.21960	0.9
311.81805	0.3
319.20432	0.4
337.21512	6.2
339.98184	0.3
355.22595	19.9
373.23608	9.9
407.19772	0.3
517.31641	4.5
578.41986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
53.03942	0.3
55.01852	0.4
55.05492	0.6
57.03423	2.9
57.07065	5.4
58.12054	0.2
59.04760	0.3
59.04993	4.7
59.24076	0.2
60.58342	0.2
65.03919	1.5
67.05492	26.0
69.03414	13.5
69.07031	0.3
71.04975	21.8
73.06536	0.9
79.05464	1.4
81.07042	4.5
83.04961	1.8
84.37976	0.2
85.02902	0.2
85.06526	31.2
87.04453	2.1
91.05479	1.7
92.09165	0.3
93.07023	2.5
95.04944	24.0
95.08586	2.6
99.08045	0.4
101.06002	0.5
102.69827	0.3
105.07021	3.3
107.08593	2.8
109.06503	1.3
109.10139	0.9
113.05984	100.0
113.18752	0.3
114.06340	0.9
117.06997	0.5
119.08514	2.5
121.10123	1.6
125.05954	7.0
127.07544	0.4
129.06960	0.5
131.08546	1.8
133.10135	1.9
135.11685	0.5
137.05972	0.3
139.03807	0.3
143.08554	1.3
145.08571	17.7
145.10075	2.2
147.11685	1.6
153.05447	4.4
155.07021	4.4
155.08354	0.5
157.10107	1.8
159.11623	2.5
161.09596	0.3
161.13234	0.5
167.08522	0.3
169.10101	0.6
171.11636	1.0
173.13094	0.8
175.14818	1.4
181.09956	0.5
183.11742	1.1
185.13203	1.3
187.14807	1.2
189.16382	0.6
195.11681	0.6
197.13156	0.6
199.14816	0.9
201.16351	3.6
203.17915	0.3
207.11734	0.3
209.13219	0.6
211.14700	0.3
215.17888	0.5
221.13245	0.3
225.16254	0.3
235.14703	0.4
255.13756	0.4
277.19305	0.4
280.68396	0.3
291.20978	1.1
309.22180	0.5
319.20538	0.9
337.21539	5.4
355.22598	21.3
373.23657	10.3
455.88553	0.3
483.02228	0.3
517.31482	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	558.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.9
53.03927	3.4
54.82010	0.6
55.01854	3.7
55.05488	3.8
56.53232	0.6
57.03435	7.1
59.04981	1.1
61.02903	5.3
65.03922	3.2
66.62502	0.9
67.05486	5.9
69.03412	22.8
69.03757	1.7
69.07037	3.4
71.04961	4.5
73.02896	2.0
75.81883	0.7
79.05475	4.1
81.03393	10.2
81.07034	6.5
83.04962	1.8
83.08584	0.9
85.02881	41.3
85.06526	3.9
87.04443	4.5
91.03907	1.0
91.05446	9.4
93.07012	5.3
95.04926	5.7
95.08582	7.8
97.02869	16.3
97.06499	6.4
98.97525	0.9
99.04429	4.2
99.08056	1.3
103.05442	4.3
105.07004	13.0
107.04939	4.8
107.08576	9.6
109.02863	4.5
109.06472	4.3
109.10128	4.1
110.03664	1.1
111.04417	1.3
111.08043	1.1
113.06023	1.1
113.09592	3.3
115.03934	1.3
115.05418	1.0
117.06992	1.9
119.04909	3.5
119.08559	5.2
121.06489	6.2
121.10110	4.4
123.04297	1.0
123.08056	6.4
123.11669	1.7
125.05978	1.7
125.09595	11.9
127.03878	6.7
128.06169	1.4
129.06908	6.0
131.04915	5.2
131.08563	6.5
131.10645	0.9
133.02841	1.6
133.04958	1.3
133.06506	5.8
133.10074	4.9
135.04611	0.8
135.08011	2.0
135.11617	1.6
137.05954	30.3
137.09569	1.9
138.06284	4.0
138.09085	1.0
139.11092	1.0
140.04648	6.4
141.06966	4.6
142.02562	1.7
142.07658	1.1
143.08565	11.5
143.10617	1.2
145.04961	1.9
145.06442	1.4
145.10080	8.1
147.04329	3.5
147.08018	3.7
147.11638	1.7
149.05925	3.7
149.09578	1.2
150.06580	0.9
151.03860	8.2
151.07477	1.5
153.05473	1.7
153.06787	0.9
155.07149	2.2
155.08528	9.6
157.06425	1.2
157.10098	4.0
159.08023	3.6
159.11676	1.2
161.05917	6.1
161.09569	4.2
162.12231	0.8
163.07491	8.5
163.14877	0.8
165.09088	1.6
167.07069	1.6
167.08556	3.3
169.10109	3.5
171.06496	5.6
171.07921	2.7
173.08121	1.1
173.09569	4.4
175.07462	1.9
175.11098	0.8
175.14793	1.2
177.05415	1.3
177.09129	1.0
179.06979	1.9
179.08475	2.8
181.04913	100.0
181.10118	3.0
182.05287	1.1
183.08081	1.3
183.11633	1.2
185.09518	1.1
187.07375	1.0
189.09079	4.5
193.10083	1.7
193.15819	3.6
195.11649	3.2
199.06003	5.0
201.09113	1.2
204.08983	0.8
205.10222	1.1
207.10104	3.2
207.11729	1.6
209.13199	3.9
209.15088	1.1
211.11122	1.4
211.16907	9.4
213.12569	0.9
219.09967	1.0
219.11833	1.1
221.13239	1.6
223.14751	1.7
225.16341	1.7
229.17914	6.5
235.14761	1.7
237.16252	3.2
247.14896	4.2
247.18890	1.5
249.16307	1.8
253.15765	1.7
255.10175	1.0
261.16333	3.1
265.15808	12.8
267.17407	10.8
279.17270	8.9
283.16849	1.9
289.15750	2.0
295.16696	2.9
297.18323	8.2
307.16849	13.8
313.14105	0.9
313.17853	1.0
325.09021	3.7
325.14291	1.7
325.17883	25.5
327.19614	1.1
331.15259	1.0
343.10175	6.6
343.18951	50.1
361.19897	9.2
378.52124	1.0
469.21872	3.6
476.60196	1.1
487.22879	1.4
505.24286	10.2
558.21381	1.2
559.22766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3081
Annotation	Dronedarone
Peak:m/z	Relative Intensity
54.71128	0.4
55.05496	0.4
57.37270	0.4
62.53622	0.4
66.56702	0.4
67.05511	0.5
69.03407	0.6
69.07034	0.4
81.07037	0.9
85.02888	0.8
91.05447	0.5
93.07004	0.5
95.08587	0.9
97.01331	0.4
102.57279	0.4
106.64569	0.4
109.06573	0.5
121.10175	0.6
125.74275	0.5
145.02826	0.6
145.10074	0.5
156.83360	0.6
158.50711	0.5
167.06786	0.5
221.26842	0.5
306.10016	0.5
343.26221	0.5
347.07159	0.5
413.22925	13.3
470.11148	0.5
557.30780	100.0
558.31256	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	558.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01854	0.7
55.05486	0.5
55.61992	0.1
57.03421	1.0
57.07064	0.1
61.02904	0.1
61.83485	0.1
65.03923	3.7
67.05493	2.6
68.99789	0.1
69.03412	3.9
69.07040	0.7
70.06564	0.2
71.01344	0.1
71.04979	1.1
73.02895	0.3
79.05465	1.1
81.03400	5.9
81.07043	1.2
82.00513	0.2
82.04177	1.3
83.04960	0.2
83.08600	0.5
85.02888	5.7
85.06519	1.3
87.04442	0.9
91.05437	1.0
93.03388	1.2
93.07014	0.9
95.04948	3.3
95.08584	1.5
97.02863	2.9
97.06512	2.2
99.04424	1.7
99.08062	0.2
103.05437	0.7
105.07012	1.0
107.04964	1.0
107.08569	1.3
108.02090	0.7
109.02219	0.2
109.02860	2.0
109.06494	0.5
109.10147	1.3
110.03633	2.2
111.04406	1.8
111.08080	0.2
115.03891	0.7
119.04881	0.6
119.08593	0.6
121.02782	0.1
121.06445	0.3
121.10109	0.9
123.04405	1.7
123.08051	0.2
123.11656	0.3
125.02357	0.2
125.05965	2.6
125.09637	0.9
127.03878	1.1
127.07555	0.2
129.07042	0.2
131.04945	1.0
131.08514	0.3
133.04944	0.5
133.06454	0.3
133.10112	0.7
135.08037	0.2
135.11642	0.7
137.05952	3.5
137.09610	0.2
138.03087	1.5
139.03893	0.2
139.11101	0.2
140.04660	7.3
142.02617	1.7
144.10194	0.3
145.10057	0.2
147.04385	0.6
147.08083	0.2
149.05948	0.3
149.09645	0.2
149.13252	0.3
151.03880	5.3
151.04987	0.3
151.07491	1.4
151.11118	0.2
153.05476	1.7
153.12737	0.2
155.06989	2.7
157.05110	0.1
157.06555	0.1
161.05968	1.2
161.09602	0.3
163.03873	0.6
163.07465	1.4
165.09097	0.2
167.06987	1.3
169.04884	0.3
169.12201	0.2
171.06487	6.2
173.08060	0.2
175.07408	0.2
177.05457	0.3
179.06973	0.2
181.04916	100.0
182.05202	1.0
183.02888	0.2
187.11182	0.1
189.09100	0.9
191.07005	0.2
193.04950	0.2
199.06003	4.4
207.10147	0.7
209.15305	0.6
210.15576	0.3
211.09621	0.2
211.16951	0.3
225.07547	1.0
227.16277	0.3
228.16742	0.5
229.17949	0.7
247.18942	0.2
287.12775	0.2
295.08069	0.6
297.09503	0.2
313.09018	0.2
325.09134	4.3
331.15332	0.3
343.10129	4.3
343.14249	0.2
343.19000	0.2
354.44229	0.1
385.52988	0.1
403.13922	0.2
490.95169	0.2
557.21027	0.3
558.21674	0.3
559.22906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3075
Annotation	Dronedarone
Peak:m/z	Relative Intensity
65.37095	0.2
72.74805	0.3
72.85282	0.2
81.02988	0.2
107.08569	0.6
167.06735	0.3
196.42741	0.3
215.12613	0.3
223.35739	0.3
325.51453	0.3
325.71078	0.3
412.10809	0.3
413.22934	16.2
557.30756	100.0
558.31323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60242	0.3
60.85382	0.3
69.41782	0.3
74.11993	0.3
75.61060	0.3
79.79979	0.3
90.37450	0.3
95.04942	0.4
113.05966	0.4
133.10178	0.4
134.63220	0.3
155.93816	0.3
167.06830	0.4
187.06786	0.3
413.22885	13.8
557.30731	100.0
558.31409	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	557.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.9
57.07070	1.3
59.05004	1.0
66.71611	0.9
67.05502	9.6
69.03419	6.1
69.07072	1.3
71.04985	7.5
76.95731	0.9
85.02922	1.2
85.06531	13.8
87.04465	0.9
93.07020	1.4
95.04948	8.6
108.65001	1.1
113.05983	38.0
113.06737	1.4
145.08588	2.3
149.09712	1.1
167.06766	21.3
213.52444	1.0
215.81898	1.0
218.85233	1.1
333.81924	1.0
373.84680	0.9
377.20996	4.1
395.21991	12.9
413.26645	1.3
495.30704	4.5
539.29620	14.4
556.30219	3.9
557.30725	100.0
558.31793	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	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23634	3.7
52.68279	3.6
53.57289	4.6
55.01857	4.8
55.05502	18.9
57.03423	19.9
57.07066	61.7
59.68866	3.9
67.05482	22.0
69.07048	21.9
70.06519	3.9
71.08609	41.2
79.05471	33.9
81.07040	46.9
82.05274	4.3
83.08600	11.0
85.10164	5.5
89.06015	33.7
90.25612	4.3
93.07030	53.1
95.04924	7.0
95.08575	55.3
107.04932	11.6
107.08557	35.3
109.10145	8.3
109.10907	4.5
119.08559	10.6
121.06428	6.5
121.10123	10.1
133.08623	7.9
133.10056	4.9
135.11670	73.0
145.10147	32.4
163.11147	66.8
181.12233	5.3
227.12730	58.6
283.15347	60.2
283.26321	7.8
292.56339	5.2
311.29178	7.3
313.27322	100.0
345.58557	5.0
371.22723	22.9
417.86145	4.5
519.13684	4.9
521.38269	88.9
556.52686	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	556.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
54.81897	0.6
55.05499	6.7
57.03430	9.3
57.07060	1.1
57.25633	0.6
59.04982	4.0
67.05496	4.7
68.87785	0.5
69.03415	27.8
69.07044	3.0
71.04988	7.2
75.04445	1.0
75.11179	0.6
79.05458	6.8
81.03379	3.4
81.07038	9.3
83.04969	6.1
83.08595	5.5
85.02421	0.9
85.02890	18.0
85.06532	8.6
86.53629	0.6
87.04452	16.8
87.08694	0.6
87.59559	0.6
91.05461	5.5
93.07027	9.8
95.04942	22.1
95.08583	12.7
95.99462	0.6
97.02876	20.7
97.06498	5.6
99.04427	5.1
99.08074	0.9
105.06355	1.1
105.07017	22.8
107.07858	1.2
107.08575	32.3
109.02842	0.9
109.06481	6.9
109.10139	8.2
111.04398	0.6
111.08035	1.0
113.05990	0.9
113.09586	0.7
115.03909	17.2
115.07548	5.2
115.20537	0.6
118.47875	0.6
119.08558	17.8
121.10121	100.0
123.08055	6.2
123.11670	3.4
125.09577	1.4
127.03861	1.1
131.08549	9.5
132.82542	0.6
133.04955	14.3
133.10104	23.3
135.08028	1.4
135.11639	6.4
139.11186	7.2
145.04959	2.4
145.10085	2.9
147.11656	24.5
149.13251	3.1
151.11165	5.9
153.09067	5.3
158.10933	1.0
163.03865	2.8
163.14771	5.3
165.12737	12.1
167.14270	7.2
173.13235	15.8
175.14738	0.9
183.13791	6.6
191.14264	20.2
195.51103	0.6
203.32069	0.6
205.06952	0.8
209.15334	33.6
222.27165	0.6
227.16399	10.3
259.08023	1.1
295.10101	3.5
340.80527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05507	11.4
55.69461	0.8
57.03427	16.3
57.07058	4.1
58.70917	1.0
59.04979	4.9
61.02917	1.2
67.05489	6.0
69.03419	47.8
69.07061	11.5
71.04978	11.1
75.04442	1.3
79.05485	8.6
81.03410	4.0
81.07054	13.3
81.32474	1.0
83.04951	13.1
83.08601	13.6
85.02891	33.1
85.06516	7.0
87.04448	25.2
91.05463	5.7
92.08645	1.9
93.07026	29.4
95.04949	55.3
95.08582	11.4
97.02875	40.9
97.06516	14.5
97.10170	1.6
99.04434	15.5
99.08080	6.9
104.12603	1.2
105.07016	23.1
107.04936	2.3
107.08582	42.6
109.02857	1.3
109.06503	35.6
109.10133	15.3
111.08065	7.5
113.05997	1.8
113.09624	1.2
113.11700	1.1
115.03908	24.7
115.07543	4.2
119.04949	2.0
119.08550	15.1
121.10121	81.6
123.04413	1.1
123.08050	10.4
123.11686	4.5
125.05966	1.7
125.09609	6.4
127.03883	1.4
127.07530	2.1
129.06882	1.1
131.08546	14.7
133.04947	16.6
133.10103	58.9
135.04428	1.6
135.08031	13.3
135.11652	8.1
137.05971	4.8
137.09528	1.4
139.11145	10.9
143.10628	1.7
145.04967	1.4
145.10098	8.5
147.04408	3.9
147.11678	31.6
149.09601	2.3
149.13240	6.7
151.11192	9.6
153.09073	27.3
157.08595	1.2
157.10077	1.0
158.10899	2.0
163.03865	3.9
163.07501	1.3
163.11159	1.5
163.14799	18.3
165.05463	0.9
165.12727	6.4
167.06903	1.4
167.14319	8.7
171.10130	9.2
173.13231	25.7
191.14299	41.3
193.04832	1.2
195.10136	7.0
196.10538	5.0
209.12332	1.2
209.15344	91.5
227.16380	100.0
233.15285	1.3
245.13895	1.8
277.09314	1.0
340.08926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07133	0.7
55.01871	1.0
55.05495	8.1
57.03424	15.5
57.07053	1.4
57.93220	0.6
59.04976	4.7
61.02900	0.8
65.03939	1.0
67.05488	17.2
69.03413	36.3
69.07052	10.4
71.04971	13.0
73.02905	1.0
73.06570	0.8
75.04454	1.3
79.05469	3.6
81.03395	3.8
81.07035	19.3
83.04957	10.6
83.08163	0.7
83.08601	6.4
85.02885	37.4
85.06523	17.5
87.04446	18.7
89.06004	1.8
91.05460	4.0
92.08650	1.2
92.09137	1.4
93.07024	9.2
95.04935	4.4
95.08579	25.3
97.02871	21.0
97.06503	16.7
97.10139	1.8
99.04426	6.3
99.08069	25.7
100.36642	0.7
101.03043	0.8
101.05994	0.9
105.06994	5.9
107.08580	11.3
109.02866	1.4
109.06491	5.9
109.10137	100.0
111.04421	5.4
111.08032	3.7
111.11718	4.4
113.06002	4.0
113.09622	10.9
115.03898	18.7
115.07542	3.6
119.08580	1.7
121.02818	0.9
121.10114	15.2
123.04342	1.1
123.08036	15.7
123.11677	10.7
125.05953	1.3
125.09592	14.8
127.03892	1.1
127.07529	5.2
127.11196	1.4
129.05460	4.6
131.08549	1.4
133.04909	12.7
133.10121	4.0
135.11693	3.8
137.05971	0.9
137.09622	3.7
137.13156	0.9
139.11163	16.7
140.04672	0.8
141.09077	34.0
143.10683	1.1
145.04993	1.5
145.10103	1.5
147.11665	3.3
149.09607	1.7
149.13271	3.6
151.03893	3.5
151.11154	5.4
153.09093	3.9
155.10625	1.4
157.12234	5.4
159.11667	1.4
162.82892	0.7
163.14798	1.1
165.12769	5.5
167.10632	4.7
169.12180	3.5
177.05545	1.2
181.04909	17.4
181.06430	0.9
183.13759	19.9
185.11705	7.0
188.03746	1.4
191.14290	4.9
201.14818	36.1
209.15314	17.4
219.17422	1.5
227.16359	47.0
237.18430	2.7
245.17413	94.4
271.91592	0.8
278.10083	0.8
302.63358	0.8
307.75189	0.9
346.43701	0.9
407.22540	3.1
556.24420	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	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.1
65.84244	0.1
69.03421	0.2
75.46943	0.1
79.05472	0.7
79.30229	0.1
85.02884	0.2
91.05472	0.1
92.08948	0.1
93.07027	0.9
95.04936	0.2
98.97546	0.2
103.05448	4.8
107.04945	2.4
110.79221	0.1
120.08081	100.0
121.06509	0.2
121.08383	0.1
131.04907	2.6
137.05945	1.6
145.94479	0.1
149.02275	0.1
149.05984	1.9
163.07390	0.1
166.08604	28.8
167.06998	0.9
177.00612	0.1
181.08627	0.1
211.09615	1.0
276.11893	0.2
372.02167	0.1
427.72638	0.1
510.22223	0.1
551.01050	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01865	4.7
55.05496	2.7
57.03422	5.5
59.04979	1.3
60.65221	0.5
61.02908	1.3
62.70459	0.6
65.03926	0.7
66.11311	0.5
67.05477	3.1
67.22802	0.6
69.03416	16.4
69.07044	2.8
70.06583	0.5
71.04982	5.6
71.08633	0.5
72.05336	0.6
73.02898	0.8
79.05472	5.0
81.03400	4.9
81.07035	7.3
83.04970	3.4
83.08593	0.8
85.02890	17.8
85.06532	1.6
87.04475	5.0
91.05462	21.6
93.07010	7.5
95.04976	4.6
95.08582	8.1
97.02871	15.0
97.06499	1.4
99.04440	5.7
99.08063	3.1
101.06013	1.5
103.04765	0.6
103.05451	19.0
103.06097	1.1
105.03375	4.7
105.07015	14.8
107.04948	5.2
107.07834	0.9
107.08551	10.0
108.05767	0.7
109.02855	3.7
109.06490	8.1
109.10159	7.5
111.04454	1.1
111.08083	1.1
113.06007	0.8
115.03927	6.3
115.05416	3.4
117.03395	0.7
117.06982	1.0
119.04916	26.9
119.08578	6.5
120.08092	0.8
121.06477	4.5
121.10108	6.0
122.03627	5.0
123.08057	11.6
123.11680	1.1
125.05971	2.9
125.09601	3.7
127.03904	3.7
127.07529	0.7
127.11174	3.7
128.06155	1.2
129.06943	5.4
131.04906	32.9
131.08549	3.0
132.05675	1.4
133.02791	1.3
133.04941	3.7
133.06467	7.3
133.10085	4.9
135.07097	0.7
135.08049	3.5
135.11710	2.5
135.79189	0.6
136.08768	0.8
137.05957	100.0
137.09570	1.4
138.09091	13.7
139.11140	1.0
143.04890	1.4
145.04982	1.4
145.06516	1.4
146.07176	0.8
147.04396	11.1
147.08034	1.1
147.11659	2.7
149.05922	5.1
149.13203	2.6
151.07504	11.2
151.11209	1.5
153.05524	0.8
153.09068	1.2
157.06439	6.0
159.08046	3.2
160.05174	2.9
161.05940	10.4
161.09587	0.9
162.06686	1.5
163.03879	1.1
163.07515	22.5
165.09143	0.8
165.12701	3.3
166.08592	22.0
167.07115	1.1
169.12326	0.9
172.05173	1.4
173.13232	3.1
174.06711	2.6
175.07521	15.5
177.05469	2.5
177.09116	1.2
179.07027	6.7
183.13788	2.5
187.07533	9.7
189.09056	9.2
190.07672	0.9
191.07027	1.1
191.08598	2.6
191.14186	5.3
193.08594	4.7
203.08487	1.3
205.08568	3.2
209.15335	12.7
217.08604	7.1
219.08017	3.6
219.10048	1.2
225.14709	0.7
226.15208	0.9
227.16408	17.5
231.08022	3.9
233.09712	1.1
235.07474	1.0
235.09602	7.9
244.09630	2.5
245.17407	1.2
247.07483	2.6
248.08293	3.6
251.10677	2.8
263.10739	1.3
265.08530	1.0
276.07703	0.8
279.10123	3.6
284.47131	0.7
291.10156	7.2
296.10248	1.0
309.11130	9.9
311.12741	10.0
323.12769	6.8
329.13773	4.8
341.13766	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	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52456	0.5
53.03916	0.8
55.01863	3.8
57.03428	1.2
61.02941	0.5
62.95712	0.4
65.03912	1.0
67.05486	1.1
69.03426	4.5
69.07055	0.9
71.04981	0.5
79.05476	4.8
81.03387	1.2
81.07018	2.7
83.04952	0.7
85.02894	7.6
85.06519	0.7
87.04419	0.9
91.05458	39.6
93.07012	3.0
94.04192	0.8
95.04953	4.3
95.08586	1.1
97.02871	4.3
98.97651	0.5
99.04419	1.2
103.05447	46.9
105.03369	7.3
105.07008	21.4
107.04916	3.8
107.08569	1.1
109.02876	0.8
109.06499	8.5
109.10154	0.9
115.05449	4.3
117.03352	0.6
117.07008	2.4
118.04121	0.9
119.04913	53.4
119.08519	1.2
121.06461	3.9
121.10084	0.5
122.03631	3.0
123.04391	3.4
123.08042	5.5
127.03788	0.6
129.06979	2.7
131.04903	100.0
133.02829	7.0
133.04971	1.0
133.06467	20.1
133.10086	0.7
135.08017	2.0
135.09431	0.6
136.05170	1.0
137.05949	64.0
138.09196	0.5
140.07062	1.2
143.04945	0.6
143.06003	1.1
145.06474	2.0
146.03549	0.6
146.07217	0.6
147.04391	20.3
147.08028	2.1
149.05992	6.0
149.09621	1.1
150.06688	0.6
151.07518	17.9
155.04861	0.6
157.06442	0.9
159.08017	3.7
160.05125	1.8
161.05939	44.1
162.06714	6.1
163.03876	3.5
163.07509	32.6
165.04088	0.5
165.05463	2.0
172.05132	0.7
175.07503	15.9
177.05420	0.8
177.09123	0.7
179.06990	12.6
179.08453	0.8
187.07503	10.9
189.09019	0.8
190.06136	0.7
191.08559	1.3
193.08527	3.9
199.07468	1.0
203.08530	0.6
205.08571	7.0
209.15329	3.2
217.08592	2.4
219.08017	4.1
220.08685	0.9
226.15105	0.6
227.12662	0.5
231.07967	2.6
235.07491	0.8
235.09654	2.0
244.09572	0.7
247.07468	2.7
248.08206	0.8
248.60866	0.6
251.10645	3.4
259.07526	0.7
262.10577	0.8
263.10538	0.7
279.10135	3.2
285.36087	0.5
291.10239	2.5
296.10284	0.9
309.11115	7.5
311.12723	6.8
323.12665	1.3
329.13855	3.4
341.13702	5.3
359.14764	2.1
374.18372	0.5
466.64978	0.6
556.17059	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	555.2927
Annotation	Acrovestone
Peak:m/z	Relative Intensity
53.14529	4.3
67.54266	5.3
81.07065	7.7
92.09361	10.0
121.23911	4.6
156.38277	5.2
220.39558	5.5
254.89706	5.7
263.38699	6.2
275.40509	6.1
458.28577	5.5
555.29297	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	555.2929
Annotation	Acrovestone
Peak:m/z	Relative Intensity
50.23836	0.4
50.63018	0.4
51.11487	0.4
51.25485	0.4
51.92270	0.5
53.75750	0.5
54.63333	0.5
55.01852	0.6
55.05510	0.9
56.33635	0.5
59.06101	1.0
63.34220	0.4
67.05506	0.8
69.03422	1.4
69.07069	0.6
76.56450	0.5
79.09632	0.5
81.07044	1.2
85.02897	1.1
91.93856	0.6
93.06967	0.6
95.04953	0.8
95.08583	1.1
96.24689	0.5
97.02888	1.0
105.07024	0.9
107.04946	0.6
107.08614	0.7
109.10160	1.0
109.84527	0.6
113.06007	0.6
116.33482	0.6
117.23977	0.5
119.08573	0.7
123.11681	0.9
137.05968	1.3
145.10136	0.7
167.06960	2.2
179.67297	0.5
220.86739	0.6
335.09448	1.2
375.25024	1.3
411.21411	1.3
555.29224	100.0
556.29669	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82396	2.9
62.92258	3.6
78.05682	2.7
78.39701	3.0
82.08221	2.5
95.04920	3.1
136.93253	3.0
171.91405	3.1
173.03499	3.2
238.70509	2.9
312.64920	3.4
555.35101	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	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01868	5.0
55.05500	0.6
57.03418	3.5
61.02905	0.5
65.03910	0.9
67.05487	1.2
68.60912	0.5
69.03407	7.8
69.07050	0.9
71.01266	0.5
76.15541	0.6
77.03925	0.6
79.05479	6.7
81.03399	2.7
81.07050	4.7
83.04957	4.0
85.02505	0.6
85.02899	10.4
85.06511	0.6
87.04436	3.7
91.05460	43.9
92.09332	0.6
93.07027	5.6
94.04133	1.4
95.04943	5.4
95.08575	2.9
96.37334	0.6
97.02879	5.9
97.06526	0.9
99.04432	1.3
102.04650	0.7
102.12385	0.5
103.05447	47.3
104.46216	0.6
105.03393	8.0
105.07014	31.7
107.04933	5.7
107.08585	5.4
109.02897	0.8
109.06506	11.1
109.10155	1.3
110.07114	0.9
111.08044	1.2
115.03909	3.6
115.05449	5.7
117.06976	1.0
118.04176	0.9
119.04921	60.0
119.08603	3.4
121.06494	6.6
121.10095	3.6
122.03630	4.1
123.04389	0.8
123.08023	6.0
125.09611	3.4
127.03925	1.0
127.07533	2.2
128.06163	0.8
129.06966	5.1
130.04085	1.4
131.04906	100.0
131.08557	1.0
133.02821	9.4
133.04944	1.9
133.06468	28.7
133.10078	2.9
135.04375	1.0
135.08037	2.5
135.11668	2.5
136.05125	1.1
137.05956	91.7
143.04932	1.1
143.06003	2.6
144.05663	0.8
145.04909	1.4
145.06456	2.6
147.04395	25.7
147.08026	3.1
149.05952	7.9
149.09576	2.5
149.13351	0.8
151.03804	0.7
151.07521	24.0
151.11166	1.4
153.09071	1.2
157.06502	3.3
159.08058	5.0
160.05141	3.4
161.05945	59.1
162.06737	8.0
163.07500	27.2
163.14767	1.2
165.05463	4.0
172.05148	2.9
173.05829	0.8
173.13191	0.9
174.06734	1.0
175.07501	20.4
177.05423	0.7
179.07008	16.0
187.07532	15.8
189.09152	4.1
190.06288	0.7
191.08549	2.8
191.14235	2.9
193.08565	4.2
203.08551	2.3
205.06673	0.9
205.08548	9.4
209.11713	0.6
209.15350	10.5
217.08559	3.9
219.08052	5.0
220.08536	1.1
227.16386	4.9
231.07970	2.9
235.09442	1.0
236.08156	1.1
247.07442	3.5
248.08324	1.5
251.10619	5.2
253.08492	0.9
255.60217	0.6
259.07458	1.0
263.10666	2.3
264.07584	0.9
265.08630	0.7
279.10025	4.2
291.10046	4.6
309.11127	8.8
311.12744	11.5
323.12839	4.6
329.13730	1.3
341.13708	8.0
359.14764	2.4
525.22412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50678	1.3
56.96564	1.8
57.03419	1.4
59.04988	6.0
67.05479	10.1
67.53153	1.5
67.97664	1.3
68.05783	1.9
68.29560	1.3
69.03395	6.5
71.04970	6.1
79.05474	3.5
81.07048	3.3
85.06527	5.9
87.04442	3.1
93.07004	2.2
95.04935	11.4
95.08576	2.6
96.05285	2.0
99.96251	1.8
105.07020	3.7
106.07341	2.4
107.08566	15.2
108.08910	5.6
108.96635	1.4
109.06405	2.1
113.05987	28.2
114.06343	6.5
116.98656	1.7
119.08588	2.4
121.10094	3.6
131.08563	5.9
132.08888	1.8
133.10115	2.4
135.11647	1.8
143.08473	2.1
145.08534	2.1
145.10144	6.9
146.10442	3.5
147.11703	3.3
154.92609	1.6
159.11688	3.2
161.09464	1.7
173.09546	2.6
187.14880	1.7
189.09041	1.6
272.20883	2.0
355.22818	2.4
356.22971	2.5
357.23349	2.7
373.23581	2.7
374.23944	6.1
375.24521	3.4
376.24701	2.4
392.25183	3.3
393.25375	6.6
394.25729	2.0
404.34637	1.8
411.21393	8.7
463.03317	1.8
540.29761	2.6
555.28168	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	555.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04973	0.3
67.05489	1.2
69.03394	0.4
69.07033	0.4
70.90641	0.3
71.04983	0.5
81.07053	0.5
85.06528	0.6
93.07036	0.3
93.21478	0.3
95.04941	1.5
95.08590	0.4
100.52887	0.3
105.07019	0.3
107.08593	0.5
113.05990	3.3
114.06320	0.7
121.10123	0.4
128.29036	0.3
145.08569	0.5
145.10214	0.4
147.11604	0.3
159.11792	0.4
163.77924	0.3
175.14778	0.4
176.70135	0.3
188.56337	0.3
195.11687	0.3
219.32140	0.3
281.66705	0.3
290.51276	0.3
375.25067	0.4
411.21536	1.8
413.05743	0.3
555.29199	100.0
556.29272	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26663	0.5
55.23594	0.3
75.61290	0.4
76.29181	0.4
78.52184	0.4
120.80255	0.5
133.52380	0.4
193.66269	0.4
201.82057	0.5
219.00630	0.5
221.16953	0.5
286.90775	0.5
411.21417	8.4
540.51770	0.5
555.29187	100.0
556.29773	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	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05472	0.2
69.03391	0.3
71.33314	0.2
72.88642	0.2
84.42224	0.2
92.08604	0.9
102.68804	0.2
113.06028	0.3
133.10057	0.2
138.70467	0.2
149.21257	0.2
167.06677	0.3
178.05794	0.2
181.75618	0.2
210.70612	0.2
215.69611	0.2
245.09851	0.2
247.68517	0.2
257.59509	0.2
313.81329	0.2
336.48254	0.2
340.68427	0.2
382.80038	0.2
411.21329	6.8
411.26364	0.4
555.29187	100.0
556.29492	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	555.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53173	2.5
69.03417	5.1
91.05463	2.7
91.26418	2.9
92.09352	6.0
93.07042	3.8
105.07014	5.6
107.08588	3.2
113.05988	5.5
119.08572	4.7
119.65560	2.4
125.69077	3.2
128.89769	2.7
129.10095	3.0
160.33965	2.8
178.92850	2.7
206.67113	3.3
455.84952	3.2
555.28680	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	555.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	7.8
51.54861	6.9
56.96558	12.7
67.05487	16.9
68.29303	8.9
69.03415	22.6
77.21820	10.0
85.06529	10.2
91.05499	10.0
95.04958	36.2
113.06008	92.2
113.98574	9.5
218.60478	11.8
260.78098	8.5
270.80603	8.8
373.23749	71.3
555.27081	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	555.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34310	3.6
56.02130	3.7
56.96538	5.5
57.07056	4.7
58.63176	3.8
59.04979	4.1
67.05486	23.6
68.25970	4.2
69.03407	22.0
69.76226	4.2
71.04950	5.5
85.06525	7.2
92.08992	44.4
93.07018	6.4
95.04921	22.6
95.08582	6.6
98.97551	6.9
107.08540	7.4
113.05997	51.9
117.07035	5.0
119.08530	6.0
131.08578	4.3
133.15404	4.4
143.00241	4.4
145.08536	6.6
164.17355	4.0
187.02734	6.6
241.57721	4.7
373.23822	17.1
402.41830	4.6
554.30121	6.4
555.26953	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	554.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.7
57.07065	58.3
58.80257	2.6
65.99435	2.2
67.05497	2.9
67.12740	2.5
69.07060	4.6
71.08614	42.1
73.04740	3.8
73.06544	5.7
74.09674	2.8
75.74271	2.6
83.08553	2.9
85.10159	26.6
87.04439	4.0
89.06008	100.0
91.05782	17.1
97.10131	3.0
105.46677	2.8
107.07091	2.9
108.45964	2.9
112.80576	2.6
117.09118	3.2
117.09912	2.6
133.08582	35.2
165.23538	2.9
177.11169	13.6
223.06259	3.5
225.04279	13.5
267.00006	3.4
299.06100	5.8
299.29358	3.9
327.19919	6.6
343.32062	4.4
432.76620	3.2
537.43292	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	8.4
57.48755	4.8
58.08334	5.5
59.04985	5.6
62.94101	4.1
67.05489	11.3
69.03420	21.1
71.04974	20.4
83.15797	5.9
85.06518	12.2
85.47337	4.5
93.46459	4.8
95.04944	12.5
103.44846	6.4
113.05981	67.6
116.98592	6.2
124.39854	4.9
125.13728	5.5
134.99609	5.0
145.08600	11.8
193.61096	5.8
212.41365	5.2
337.21552	6.8
373.23639	9.8
494.26581	8.8
554.29645	6.2
555.27087	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	554.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.1
57.03428	11.8
57.07084	3.0
67.05488	67.2
69.07061	26.0
71.04967	11.9
79.05464	13.7
81.07042	100.0
83.08607	4.5
85.06529	13.8
91.05830	4.9
92.08685	4.6
93.07025	13.1
95.08584	82.4
97.06515	4.1
97.10143	3.4
105.07019	6.1
109.10132	5.0
119.08536	2.9
121.10146	5.9
123.11705	5.3
126.01463	2.9
147.11642	6.1
163.44806	3.2
225.04298	4.5
257.17386	44.9
337.27383	38.2
456.23938	4.6
519.40509	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
54.81982	0.3
55.05499	0.4
55.99075	0.3
56.25265	0.3
57.03430	3.1
57.06811	0.3
57.07067	5.6
57.33068	0.3
59.04716	0.5
59.04990	9.3
59.72545	0.3
65.03926	0.7
67.05491	28.3
69.03415	15.3
69.07039	0.4
71.04974	19.9
72.05315	0.3
73.06533	0.5
76.38554	0.3
79.05450	1.4
81.07038	1.4
83.04957	2.0
83.49391	0.3
85.06527	21.8
85.71739	0.3
87.04435	4.2
91.05476	0.6
93.07024	1.8
95.04946	33.2
95.08591	2.3
101.05981	0.8
105.07006	2.0
107.08582	2.1
109.06474	0.4
109.10141	0.5
112.07609	0.4
113.05986	100.0
114.06313	1.4
119.08565	1.2
121.10125	1.3
125.05968	0.6
131.08533	0.6
133.10139	1.8
135.11665	1.7
143.08577	0.4
145.08580	18.8
145.10043	1.5
147.11653	1.7
149.13226	0.5
157.10103	0.6
159.11678	1.8
160.84171	0.3
161.13235	1.8
169.10178	0.3
173.13225	0.4
175.11093	0.7
175.14827	0.3
177.09111	0.3
185.13240	0.4
187.14769	0.4
203.10724	0.6
221.11761	0.5
231.17542	0.3
251.17781	0.4
255.21025	0.7
257.15176	0.4
279.21039	2.0
339.23102	9.2
355.22452	0.4
356.22766	0.4
357.24158	10.3
375.25180	10.3
572.26312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52298	0.7
52.97601	0.6
53.03925	3.2
55.01853	3.9
55.05498	4.7
57.03417	5.1
57.73122	0.6
58.41487	0.6
59.04956	0.7
61.02913	7.6
64.12445	0.7
67.05495	12.4
69.03416	14.6
69.07045	4.2
71.01305	0.8
71.04955	4.1
73.02884	2.8
79.05469	13.6
81.03381	5.9
81.07033	24.2
83.04959	1.4
83.08611	5.5
85.02885	61.2
85.06502	1.5
87.04442	3.8
91.03939	2.6
91.05447	13.1
93.07021	27.1
95.04914	1.6
95.08583	20.7
95.09180	0.9
97.02864	19.4
97.06511	1.3
99.04426	3.1
105.07005	22.1
105.21588	0.8
107.04928	1.6
107.08572	23.7
109.02854	4.8
109.06443	1.7
109.10137	12.7
111.04431	3.9
111.08046	1.3
115.03882	1.5
117.06967	6.1
119.04937	0.8
119.08558	15.0
121.06472	1.1
121.10116	22.0
121.68712	0.7
123.07964	1.2
123.11681	1.2
125.05993	6.0
127.03897	7.9
129.06958	4.7
131.08533	16.4
133.06496	0.8
133.10089	16.7
135.04395	1.0
135.07988	1.8
135.11655	29.7
137.05922	3.1
137.09554	0.9
139.07550	1.0
141.06897	1.0
143.08537	11.4
143.51459	0.8
145.04919	7.7
145.10083	18.1
147.07933	0.9
147.11642	12.2
149.05930	1.2
149.13211	5.7
151.07526	1.6
151.11118	1.7
153.05424	4.6
155.07088	0.9
155.08510	5.0
157.10112	9.9
159.01556	0.8
159.11644	14.8
161.09552	1.5
161.13222	11.8
163.06059	1.3
163.07433	2.2
163.11166	1.2
163.14778	0.9
165.09042	0.9
169.10069	4.4
171.11668	8.8
173.13203	4.0
175.07497	2.8
175.11061	1.1
175.14787	3.5
177.09094	2.9
181.09978	2.7
183.11647	6.5
185.09552	1.0
185.13222	17.0
187.11137	1.3
187.14726	10.0
189.12770	0.8
189.16336	4.8
195.11655	3.5
197.13191	5.5
199.14798	5.0
201.12625	1.2
201.16336	5.3
203.10686	1.8
205.12221	4.0
207.11649	1.4
207.17340	1.3
209.13206	1.6
211.11049	1.3
211.14758	6.8
213.12701	5.2
213.16316	4.3
215.17871	2.9
217.12172	3.1
223.14787	3.8
225.12738	1.7
225.16296	2.7
225.18466	5.0
227.14284	1.5
229.12125	4.7
231.13733	11.5
237.16235	3.3
239.14244	1.6
239.17876	1.0
243.13753	4.3
245.15417	1.2
251.17796	1.5
257.15253	6.2
271.16840	1.4
276.87424	0.9
277.19571	1.8
279.20856	5.3
283.17035	1.3
293.22568	17.5
311.23679	6.7
321.21994	12.4
339.23093	100.0
340.23611	1.1
357.24127	43.7
375.25211	36.3
537.30017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01856	2.5
55.05494	7.2
57.03429	10.0
57.07064	1.1
59.04985	2.3
61.02895	1.9
62.78737	1.0
67.05484	11.1
69.03417	27.9
69.07058	13.3
71.04978	9.8
73.02917	1.7
77.95150	1.1
79.05470	18.0
81.03411	15.0
81.06595	1.7
81.07034	34.2
83.04955	7.7
83.08596	5.9
85.02895	33.1
85.06529	100.0
87.04445	11.3
91.05457	16.0
92.08916	1.4
93.07022	55.4
95.04928	6.9
95.08595	25.1
97.02863	23.2
97.06505	34.3
97.10162	1.4
99.04448	10.3
99.08067	6.0
101.05991	1.3
103.05412	1.6
104.66727	1.2
105.07011	26.9
107.04871	1.9
107.08578	42.5
108.63335	1.2
109.02859	9.9
109.06495	10.2
109.10139	16.3
111.04430	2.8
111.08062	6.7
113.05973	2.2
115.03912	7.2
115.05496	1.1
117.03313	1.9
117.06983	4.5
119.08565	36.6
119.88413	1.2
120.08871	2.1
121.06480	7.5
121.10126	53.0
123.08044	32.6
123.11699	8.6
125.02390	1.4
125.05972	1.6
125.09562	8.9
127.03876	13.8
127.11167	2.3
129.06929	1.7
131.04863	4.5
131.08542	14.2
133.04973	4.6
133.10115	18.8
134.10500	1.6
134.35385	1.2
135.08072	4.5
135.11638	6.1
137.05948	6.5
137.09560	7.6
139.11168	1.8
143.08501	6.0
144.09308	2.1
145.02834	7.0
145.05028	1.4
145.10132	9.0
147.04355	2.0
147.08008	5.1
147.11702	14.3
149.05951	2.3
149.09618	12.8
149.13237	30.5
151.07529	6.3
151.11130	6.8
153.05464	1.6
153.12718	1.3
155.08548	1.6
155.10657	2.4
157.10118	5.1
159.07988	5.1
159.11665	18.0
161.09586	2.3
161.13237	7.5
163.03835	2.0
163.07480	2.3
163.11195	4.6
165.09142	1.4
165.12723	9.1
167.06993	2.5
167.10622	2.7
167.14276	6.0
169.10065	1.4
171.11752	2.4
173.09593	2.1
173.13188	2.1
175.07529	2.1
175.11171	5.4
175.14731	2.1
176.15137	1.4
177.05405	10.8
177.12711	23.8
179.14261	10.2
181.12277	2.0
187.11093	2.2
187.14786	1.2
189.12755	10.1
189.16330	2.9
193.12259	2.6
195.13763	25.5
205.12326	1.4
207.13826	12.5
211.16866	2.0
213.12804	2.0
213.14755	12.8
219.13832	1.8
221.08041	4.5
222.08366	2.6
223.08432	2.0
225.14825	36.3
225.18353	1.6
237.14903	2.5
243.15855	9.6
249.11147	5.4
250.11383	1.8
273.14743	1.7
285.14908	1.8
303.15756	11.1
321.16898	25.1
321.65881	1.3
339.17993	31.9
346.42401	1.3
357.18964	18.7
499.56027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.0
53.03942	2.2
55.01867	2.4
55.05506	64.8
55.67303	0.9
57.03428	17.6
57.07075	0.9
59.04999	2.3
61.02906	1.5
67.05497	9.3
69.03416	43.1
69.07053	2.3
71.04979	15.7
73.02925	1.6
75.04463	1.9
79.05479	4.8
81.03383	3.9
81.07035	9.4
83.04966	52.8
83.08627	1.5
85.02890	35.9
85.06534	1.5
87.04456	19.8
91.05467	6.5
93.07030	11.4
95.04946	27.6
95.08556	7.0
97.02874	27.2
97.06513	5.0
98.43060	0.9
99.04436	45.8
99.08077	1.3
105.07018	17.3
105.88145	0.9
107.04957	3.9
107.08579	21.1
109.02827	1.4
109.06518	9.2
109.10144	14.0
111.04460	1.3
111.08057	4.3
115.03906	20.1
117.07023	1.8
119.04945	2.0
119.08566	18.2
121.06480	7.0
121.10126	17.6
123.08059	11.9
123.11697	5.3
125.09603	15.7
127.03900	4.5
127.11169	3.7
131.08557	7.0
133.04936	16.2
133.06453	1.6
133.10118	6.6
135.08037	6.7
135.11652	5.6
137.05959	4.0
137.09598	8.9
137.13174	1.9
138.23773	0.9
143.08609	1.2
143.10687	2.0
144.09346	1.0
145.02831	0.9
145.04898	1.2
145.10110	8.4
147.08063	4.0
147.11673	15.6
149.09599	76.7
151.07523	1.4
151.11221	1.1
153.09100	8.4
155.10742	1.2
156.09341	3.8
159.08026	0.8
159.09384	0.9
159.11694	4.3
161.13222	14.0
161.18312	1.1
163.07523	4.0
163.11143	7.8
164.86435	0.9
165.09053	2.2
165.12683	8.0
167.07019	7.7
167.08313	1.0
167.10663	2.3
169.12195	1.2
171.11630	6.8
177.05476	1.2
177.09001	1.3
179.14227	1.6
181.04922	1.6
185.11716	1.5
189.12714	19.3
193.04970	3.7
195.10164	2.3
207.10199	0.9
207.13786	50.7
213.11258	5.4
225.14816	100.0
243.15915	8.6
295.10205	1.7
347.49899	1.1
387.20096	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	554.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30890	1.7
55.01855	2.6
55.05500	8.7
57.03436	23.0
57.03673	3.2
57.07062	3.8
59.04980	9.4
60.04502	1.7
61.02918	2.1
67.05485	12.2
68.11650	2.0
69.03417	87.9
69.07061	17.8
71.04972	13.1
73.02866	2.4
79.05457	9.1
81.03389	9.8
81.07036	23.0
83.04960	20.2
83.08603	3.9
85.02892	63.6
85.06517	4.2
87.04456	46.3
91.05450	14.9
93.07022	27.4
95.04951	21.6
95.08595	29.7
97.02860	57.7
97.06497	16.4
99.04426	39.8
99.08051	2.7
105.07025	37.1
107.04934	2.8
107.08580	49.5
107.19314	1.8
109.02836	4.1
109.06502	29.8
109.10149	43.5
109.62322	2.0
111.04411	2.8
111.08065	9.4
113.06002	2.3
115.03915	43.9
118.03130	1.9
119.08563	41.5
121.06439	4.3
121.10126	60.6
123.04416	1.9
123.08041	58.7
123.11674	12.9
125.05999	4.5
125.09602	8.6
131.08534	11.2
132.47929	1.9
133.04962	35.0
133.10100	16.3
135.08041	8.5
135.11670	12.1
137.09587	23.2
137.13211	2.7
139.11183	14.6
141.09079	3.1
143.08551	2.4
145.04848	2.7
145.10077	12.5
147.08002	8.4
147.11664	33.9
149.09613	45.7
149.13298	6.6
150.07623	4.2
151.07547	19.7
151.11057	13.4
153.09129	2.0
156.09331	2.2
159.11636	10.3
161.13219	29.7
163.11198	18.1
163.14659	2.1
165.09036	3.4
165.12706	18.1
167.06966	2.4
167.10646	10.2
167.19086	1.9
171.11630	4.1
177.12737	13.4
179.14252	8.6
181.12201	8.4
183.13763	7.9
189.12706	29.3
195.13745	25.6
207.13757	60.7
225.14816	100.0
243.15887	46.3
271.09158	2.4
295.10278	3.1
370.05276	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	554.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00265	2.3
53.03931	15.7
55.01860	4.2
55.05495	10.8
56.96562	1.9
57.03430	26.5
59.04982	2.5
59.99166	1.9
61.02915	2.4
63.66502	2.1
64.33232	2.2
65.25983	2.1
67.05486	12.6
69.03062	4.6
69.03413	78.1
69.07049	14.3
71.04980	3.4
75.04483	2.2
79.05466	17.0
81.03393	62.8
81.07030	40.8
83.04951	13.3
83.08608	2.4
85.02892	57.6
87.04440	46.7
89.87799	2.6
91.05456	29.4
92.08716	3.6
93.07020	36.9
95.04939	78.8
95.05878	2.3
95.08588	27.4
97.02868	53.9
97.06500	5.6
99.04433	14.8
102.53936	2.5
105.03384	2.4
105.07008	56.5
107.04941	3.8
107.08572	34.4
109.02871	3.9
109.06501	11.0
109.10133	16.9
111.08047	12.1
113.05970	3.3
115.03912	37.7
117.06990	11.8
119.08556	48.5
121.02840	5.4
121.06452	9.1
121.10117	39.3
122.64391	2.6
123.08020	23.1
123.11675	15.6
123.12480	2.7
125.05963	5.0
127.03840	2.5
129.06941	4.1
131.08537	86.2
131.09442	4.6
133.04967	23.9
133.06523	8.9
133.10092	24.4
135.04451	5.1
135.07980	3.9
135.11667	12.5
137.09599	13.9
139.11145	2.6
143.08569	3.9
145.02892	3.0
145.10106	13.4
147.04492	2.6
147.07985	4.1
147.11661	53.8
149.09589	24.1
149.13229	2.9
150.07605	3.5
151.07521	16.4
155.10782	2.9
156.09288	10.7
159.11687	14.8
161.13246	13.9
163.03870	14.4
163.11165	11.1
165.12726	15.4
167.07036	16.2
167.10654	10.0
169.08577	14.7
171.11705	13.7
173.13220	2.6
177.12743	5.3
189.12726	44.4
193.04915	14.7
195.13756	4.6
207.13763	100.0
207.15710	3.5
225.14812	78.1
243.15916	22.0
255.01906	2.6
292.46347	2.8
329.64822	2.4
369.19067	4.8
415.11783	2.6
446.09451	2.7
533.36481	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	554.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01856	2.5
55.05494	7.2
57.03429	10.0
57.07064	1.1
59.04985	2.3
61.02895	1.9
62.78737	1.0
67.05484	11.1
69.03417	27.9
69.07058	13.3
71.04978	9.8
73.02917	1.7
77.95150	1.1
79.05470	18.0
81.03411	15.0
81.06595	1.7
81.07034	34.2
83.04955	7.7
83.08596	5.9
85.02895	33.1
85.06529	100.0
87.04445	11.3
91.05457	16.0
92.08916	1.4
93.07022	55.4
95.04928	6.9
95.08595	25.1
97.02863	23.2
97.06505	34.3
97.10162	1.4
99.04448	10.3
99.08067	6.0
101.05991	1.3
103.05412	1.6
104.66727	1.2
105.07011	26.9
107.04871	1.9
107.08578	42.5
108.63335	1.2
109.02859	9.9
109.06495	10.2
109.10139	16.3
111.04430	2.8
111.08062	6.7
113.05973	2.2
115.03912	7.2
115.05496	1.1
117.03313	1.9
117.06983	4.5
119.08565	36.6
119.88413	1.2
120.08871	2.1
121.06480	7.5
121.10126	53.0
123.08044	32.6
123.11699	8.6
125.02390	1.4
125.05972	1.6
125.09562	8.9
127.03876	13.8
127.11167	2.3
129.06929	1.7
131.04863	4.5
131.08542	14.2
133.04973	4.6
133.10115	18.8
134.10500	1.6
134.35385	1.2
135.08072	4.5
135.11638	6.1
137.05948	6.5
137.09560	7.6
139.11168	1.8
143.08501	6.0
144.09308	2.1
145.02834	7.0
145.05028	1.4
145.10132	9.0
147.04355	2.0
147.08008	5.1
147.11702	14.3
149.05951	2.3
149.09618	12.8
149.13237	30.5
151.07529	6.3
151.11130	6.8
153.05464	1.6
153.12718	1.3
155.08548	1.6
155.10657	2.4
157.10118	5.1
159.07988	5.1
159.11665	18.0
161.09586	2.3
161.13237	7.5
163.03835	2.0
163.07480	2.3
163.11195	4.6
165.09142	1.4
165.12723	9.1
167.06993	2.5
167.10622	2.7
167.14276	6.0
169.10065	1.4
171.11752	2.4
173.09593	2.1
173.13188	2.1
175.07529	2.1
175.11171	5.4
175.14731	2.1
176.15137	1.4
177.05405	10.8
177.12711	23.8
179.14261	10.2
181.12277	2.0
187.11093	2.2
187.14786	1.2
189.12755	10.1
189.16330	2.9
193.12259	2.6
195.13763	25.5
205.12326	1.4
207.13826	12.5
211.16866	2.0
213.12804	2.0
213.14755	12.8
219.13832	1.8
221.08041	4.5
222.08366	2.6
223.08432	2.0
225.14825	36.3
225.18353	1.6
237.14903	2.5
243.15855	9.6
249.11147	5.4
250.11383	1.8
273.14743	1.7
285.14908	1.8
303.15756	11.1
321.16898	25.1
321.65881	1.3
339.17993	31.9
346.42401	1.3
357.18964	18.7
499.56027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.3
55.01843	0.3
55.05478	0.9
55.05724	0.2
57.03428	4.0
61.02904	0.2
67.05492	1.4
67.49957	0.1
69.03408	1.7
69.07021	0.9
70.06564	0.2
71.04951	1.0
73.02892	2.0
75.04457	8.8
77.03865	0.2
79.05477	1.2
81.03381	0.9
81.07034	2.8
82.07343	0.1
83.04944	0.7
83.08595	0.8
85.02412	0.2
85.02888	3.7
85.06533	1.7
86.03170	0.1
87.04427	0.9
91.05444	1.8
93.07031	2.1
94.07361	0.2
95.04920	0.9
95.08074	0.2
95.08581	2.7
97.02872	1.5
97.06499	1.1
97.10098	0.2
99.04407	0.3
99.08055	0.3
103.05421	0.6
105.07010	2.3
107.04922	0.7
107.08562	2.3
108.08927	0.2
109.02831	0.6
109.06531	0.3
109.10146	2.0
111.04418	0.2
111.08062	0.3
113.05984	0.3
115.03890	0.6
115.05446	1.3
116.06204	0.2
117.06969	0.8
119.04916	0.2
119.08546	1.3
121.02820	0.2
121.06471	0.3
121.10104	1.9
123.04388	0.3
123.08018	0.2
123.11660	0.7
125.05930	1.0
125.09608	0.3
127.03838	0.7
128.06160	1.2
129.05521	0.2
129.06035	0.3
129.06981	8.9
131.04892	1.8
131.08537	10.9
133.04921	0.2
133.06439	0.6
133.10083	1.3
135.11659	1.5
137.05954	3.3
137.09567	0.7
139.11137	0.6
141.06967	7.2
143.04872	0.6
143.08560	1.7
144.05682	1.2
145.02806	0.2
145.04901	0.2
145.06436	0.9
145.10059	1.1
146.07260	0.3
147.04350	0.2
147.08035	0.2
147.11630	1.0
149.05881	0.2
149.09544	0.2
149.13234	0.9
151.07492	0.2
151.11145	0.3
153.05431	0.6
155.06976	0.2
155.08504	0.2
157.06453	8.3
157.10066	0.6
158.07227	3.6
159.04340	0.3
159.06723	0.3
159.08026	9.0
159.11641	0.6
160.05154	1.2
160.51768	0.2
161.05978	0.2
161.09573	1.4
161.13200	0.7
163.03841	0.2
163.07506	0.9
165.09082	0.2
165.12740	0.7
167.06978	2.4
167.14281	0.3
169.06409	4.2
169.07599	0.3
169.12183	0.2
170.07233	2.0
171.07944	0.7
171.11699	0.3
173.05873	0.3
173.09541	0.3
174.06715	19.5
175.07492	4.2
177.05399	0.7
177.08990	0.2
177.12766	0.3
179.14258	0.2
181.04901	0.1
181.12132	0.2
185.06099	0.2
185.13199	0.3
186.06741	4.9
187.07440	0.8
187.14767	0.3
188.08258	1.3
189.09061	36.3
189.16325	0.6
190.09471	0.2
191.06963	0.8
191.10617	3.3
197.13153	0.2
199.14787	0.2
201.09068	13.9
201.16295	0.2
203.10660	0.6
207.10094	0.7
207.13725	0.8
207.17393	0.3
211.14961	0.2
213.14731	0.2
219.10120	100.0
220.10500	0.9
224.17484	0.2
225.14804	0.7
225.18384	1.6
229.12219	0.2
231.13799	0.3
237.11157	0.8
243.15973	0.5
243.19191	0.2
249.11156	2.1
339.22964	1.5
355.22687	0.2
356.23138	0.2
357.24069	0.2
375.20715	0.2
375.25177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05491	1.2
57.03426	4.2
57.07053	0.3
57.92270	0.2
63.12280	0.2
64.89581	0.2
67.05487	1.7
69.03407	2.1
69.07048	1.0
71.04968	1.1
73.02896	2.0
75.04457	9.1
77.69898	0.2
79.05463	1.4
81.03406	0.3
81.07027	3.2
81.43696	0.2
83.04967	0.5
83.08581	0.4
85.02872	3.1
85.06512	1.4
87.04435	1.2
89.67796	0.3
91.05433	1.9
92.09052	1.5
93.07024	2.0
95.04920	0.9
95.08574	3.1
95.44583	0.2
97.02856	1.5
97.06496	0.4
99.04422	0.5
99.08058	0.3
103.05387	0.3
105.06989	1.4
107.04917	0.3
107.08572	1.9
109.02857	0.3
109.06499	0.6
109.10136	2.7
111.08070	0.4
115.03908	0.4
115.05380	0.4
119.08563	1.1
121.06477	0.4
121.10093	1.9
123.04384	0.3
123.08089	0.3
123.11675	0.6
125.05914	0.2
128.06212	1.1
129.06984	8.6
131.04903	1.8
131.08533	10.2
133.10094	1.6
135.11659	1.5
136.28749	0.2
137.05977	2.6
137.09630	0.4
139.11174	0.3
141.06961	7.4
143.04907	0.4
143.08540	1.0
144.05664	1.3
145.04910	0.3
145.06467	0.9
145.10078	0.6
146.07207	0.4
147.11653	1.1
148.05119	0.4
149.13254	0.5
151.07489	0.6
151.11128	0.3
157.06458	7.5
157.08403	0.3
158.07242	3.6
159.08029	7.8
159.11668	0.4
160.05164	1.1
161.05911	0.4
161.09592	1.0
161.13208	0.3
163.07515	0.6
165.12756	0.4
167.06995	1.3
169.06421	4.5
169.07626	0.4
169.12134	0.4
170.07269	1.8
171.07977	0.4
173.09624	0.5
174.06720	18.5
175.07544	4.2
177.05481	0.4
177.09027	0.3
185.13182	0.5
186.06702	4.2
187.07474	1.0
188.08217	0.6
189.09053	36.3
191.06978	0.5
191.10623	2.9
197.13460	0.3
201.09079	12.8
203.10675	0.5
206.21149	0.2
207.10019	0.3
207.13751	0.5
219.10117	100.0
220.10489	0.4
221.08075	1.4
225.14815	0.4
225.18471	1.9
231.13904	0.3
237.11182	1.4
243.15739	0.3
243.19389	0.4
249.11145	0.5
322.14014	0.3
339.23105	1.4
340.50626	0.3
357.24033	1.0
502.10721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01850	1.3
57.03431	1.8
59.04982	0.3
61.02924	2.5
66.76195	0.2
67.05523	0.3
68.16019	0.2
69.03410	6.9
69.07062	0.3
71.04962	0.9
73.02883	1.3
77.03929	0.2
79.05467	2.8
81.03400	3.4
81.07030	0.3
83.04957	0.4
85.02888	25.9
87.04443	1.3
91.03903	0.9
91.05452	1.9
93.07011	1.0
95.04949	2.0
95.08578	0.5
97.02866	9.1
97.06491	0.4
99.04424	2.0
99.51845	0.2
103.05454	3.2
105.07003	5.4
107.04938	39.3
107.08581	1.8
109.02879	2.3
109.06496	0.5
109.10110	0.5
109.25993	0.2
111.04408	0.3
115.03894	1.2
115.05463	2.0
117.06970	1.6
119.04925	0.3
119.08556	1.4
120.05685	0.5
121.06408	0.4
121.10118	1.4
123.04404	0.8
123.08033	1.1
124.05164	0.4
125.05941	0.5
127.03882	4.5
131.04868	0.3
131.08586	0.8
133.04959	0.3
133.10110	0.9
135.04425	0.3
135.08029	13.7
135.11652	0.2
137.05959	0.5
137.09573	1.0
139.11154	0.3
140.04642	0.3
140.07036	0.3
144.06497	0.4
145.04947	3.6
145.06514	0.4
145.07542	0.4
145.10132	0.4
147.04388	0.9
147.11702	0.5
148.05161	0.3
148.07507	0.2
149.05891	0.3
149.09547	1.0
151.03854	1.0
151.07500	0.5
154.06227	3.4
155.07011	0.3
156.09346	0.3
161.13232	0.5
162.07622	0.3
163.06154	0.7
163.07503	20.9
165.05550	0.3
165.08981	0.3
167.07001	20.5
171.11591	0.3
180.07718	4.4
181.08498	0.3
189.12729	0.5
195.10132	100.0
207.13718	1.6
213.11234	0.4
225.14851	1.7
243.15938	0.4
303.78616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
57.07061	1.4
59.04988	2.9
62.22089	0.3
67.05495	7.1
67.88165	0.3
68.05817	0.4
69.03409	3.8
71.04971	4.6
79.05476	1.6
81.07049	0.7
85.06526	5.5
86.06855	0.6
87.04468	1.9
91.05456	0.7
93.07013	0.8
95.04946	8.6
95.08566	0.8
96.05273	1.8
97.06503	0.4
105.07009	2.4
107.08572	3.5
108.08884	0.8
113.05193	0.7
113.05988	21.1
114.06332	3.5
117.07001	0.6
119.08578	0.8
121.10147	0.7
125.42254	0.4
131.08546	2.2
133.10143	1.4
143.08537	0.6
145.08614	3.9
145.10054	2.7
146.08916	0.4
146.10532	0.4
147.11626	0.9
157.10182	0.6
157.59166	0.3
159.11659	1.4
160.11974	0.4
161.13295	0.5
171.11801	0.5
173.09610	0.8
186.13356	0.4
199.14931	0.3
271.20505	0.4
337.21597	1.6
338.21982	0.6
355.22809	1.7
356.23022	2.0
373.23669	5.2
374.23965	3.8
391.24738	2.8
392.24814	1.6
409.19800	0.8
409.25211	0.5
410.26117	0.4
437.11099	0.5
553.27612	100.0
554.27960	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	553.2768
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
52.61540	0.6
57.03424	0.6
57.07059	0.8
59.04976	3.7
67.05491	7.4
68.05834	1.1
69.03416	6.3
71.04975	3.9
72.73247	0.7
79.05485	1.4
81.07026	2.8
85.02884	1.2
85.06510	5.0
85.64682	0.6
87.04439	1.2
91.00069	0.6
91.05467	1.3
93.07016	1.4
95.04963	8.4
95.08572	1.3
96.05270	1.3
97.02890	1.0
101.67987	0.6
103.19148	0.6
105.07011	3.9
107.08580	4.0
108.08927	1.1
109.10102	0.8
113.05982	16.2
114.06347	4.3
117.06996	0.8
119.08517	1.0
121.06459	0.7
121.10132	1.1
131.08566	3.4
133.10129	0.9
143.08542	2.7
145.08589	3.0
145.10078	2.6
148.91457	0.6
157.10176	0.8
161.09618	0.8
171.11742	1.0
189.09138	2.7
190.09473	1.3
355.22003	1.3
372.22522	1.1
373.22961	1.0
389.23236	0.9
390.23523	3.3
391.23853	6.0
392.24405	4.3
553.27625	100.0
554.28290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	11.9
88.86409	7.2
92.09025	46.3
107.08551	8.6
113.05975	43.3
113.84212	9.1
116.98630	8.6
134.54619	9.2
168.14296	9.7
175.07458	10.3
197.63104	7.7
205.33980	10.5
213.11926	9.9
328.94498	8.6
371.22037	18.0
553.25586	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	552.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74595	1.0
54.82094	1.1
55.05508	1.4
55.09478	1.0
57.03419	2.5
57.07071	2.6
59.04987	13.0
65.03922	1.5
67.05492	32.6
67.93574	1.3
69.03414	20.2
71.04980	21.3
74.13281	1.3
79.05476	13.4
80.03626	1.2
81.07041	7.8
83.04958	3.4
85.06527	24.7
87.04463	9.5
91.05467	9.1
93.07024	10.3
95.04948	43.9
95.08589	8.2
97.06510	2.0
105.07003	17.9
107.08571	42.6
109.10134	2.8
113.05988	100.0
117.07027	5.3
119.08558	10.3
121.06486	1.5
121.10127	6.1
125.05991	2.1
127.40028	1.5
129.06982	2.6
131.08537	24.2
133.10138	8.8
135.11693	3.0
143.08533	7.4
145.08574	18.2
145.10101	31.2
147.08073	1.6
147.11679	15.3
148.17224	1.4
149.09590	2.8
155.08546	1.6
157.10126	5.9
159.07993	2.1
159.11671	14.1
161.09616	3.0
161.13213	3.0
165.12766	3.1
169.10091	2.7
171.11653	2.0
173.09549	20.1
173.13211	1.7
175.11215	5.6
175.81670	1.3
177.12666	2.1
183.11729	2.7
187.11160	3.0
191.10611	13.2
191.14282	1.6
199.14749	2.5
201.12782	1.7
215.10655	2.3
253.19511	13.0
271.20599	9.1
277.19458	1.7
291.21155	1.4
319.20529	7.2
337.21579	18.0
355.22620	38.3
371.47855	1.4
373.23676	51.5
391.24686	78.4
491.80432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01876	1.3
55.05504	10.1
57.03421	5.3
57.07067	5.1
57.36898	0.9
59.04997	12.4
61.22050	0.9
65.03920	1.6
67.05498	27.1
69.03414	14.8
69.07057	6.8
71.04980	16.5
73.06537	0.9
75.04460	1.7
79.05487	7.8
81.03393	1.2
81.07035	23.5
81.07472	1.3
83.04970	11.9
83.08610	4.7
85.02896	47.4
85.06531	47.6
86.06838	1.3
86.90945	0.9
87.04455	92.6
91.05470	8.0
93.07022	16.4
95.04947	18.0
95.08591	21.0
96.05273	1.0
97.02863	5.1
97.06522	4.6
98.01418	1.1
98.90347	1.0
99.04431	6.9
101.05989	1.8
105.07018	17.1
106.07347	0.8
107.08571	18.9
109.10131	13.7
111.04424	11.6
113.06000	47.8
114.06339	5.0
115.03934	1.3
115.07553	4.1
117.07006	4.1
119.08568	11.5
121.06459	1.2
121.10107	10.6
123.07973	1.2
123.11674	1.1
125.05991	5.1
125.09602	1.0
129.05450	7.7
129.06935	1.2
131.08548	15.0
133.05003	1.5
133.10107	11.4
134.10600	1.1
135.11681	9.4
143.07019	9.1
143.08543	5.3
145.08601	9.1
145.10109	11.8
147.11676	11.7
148.12120	0.9
149.09572	1.5
149.13293	6.3
153.09145	0.9
155.08528	1.7
157.10118	5.4
159.11702	9.0
161.13184	7.9
163.07454	6.8
163.14775	1.3
169.10110	3.9
171.11713	4.7
173.13258	4.3
175.07564	1.3
175.14754	3.7
177.09128	8.2
177.16449	7.8
181.08540	7.4
183.11665	1.9
185.13229	5.0
187.14766	3.4
189.09074	1.9
191.10611	1.5
193.10143	1.5
195.11615	1.2
197.13269	4.8
199.11385	1.0
199.14795	4.3
201.16313	3.7
203.10646	0.9
203.17914	3.5
203.97429	0.9
204.18254	1.5
209.13232	1.2
211.14795	1.5
212.02321	0.9
213.16408	1.4
215.08301	1.0
215.10504	1.0
217.12094	1.1
229.12157	3.5
237.16238	1.2
239.17752	0.9
243.13776	1.5
257.15320	6.3
279.20929	1.1
293.22464	1.5
321.21991	1.2
337.21265	8.0
339.23141	35.5
354.21246	1.3
355.22537	14.3
355.28677	1.1
357.24170	38.6
357.28503	1.8
371.22253	1.3
372.22510	1.4
373.23599	11.3
375.25244	100.0
390.23502	5.6
391.23825	1.2
416.27747	1.0
538.15912	0.9
552.24731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78858	0.6
55.05494	0.6
55.58265	0.6
57.03418	3.8
57.07063	5.3
58.37632	0.6
59.04764	0.7
59.04994	12.6
62.17424	0.7
65.03909	0.9
67.05491	22.9
69.03413	13.2
69.07052	1.0
71.04600	1.2
71.04972	18.8
81.07059	1.6
83.04980	1.6
85.06527	25.9
87.04437	7.6
92.08829	0.7
93.07039	1.7
95.04946	33.3
95.08612	1.2
105.07044	1.7
105.50487	0.7
107.08554	1.7
113.05988	100.0
113.58817	0.6
114.06311	3.8
117.61752	0.7
119.08554	1.0
131.08559	1.1
133.10117	1.1
143.08604	0.9
145.08572	23.6
145.10233	0.8
157.10030	1.0
159.11659	0.9
161.13266	0.8
168.60896	0.7
184.16806	0.8
337.21637	0.9
355.22592	3.8
373.23575	4.3
389.22891	1.2
390.23401	3.6
391.24203	4.2
553.27979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.05484	2.1
57.03427	2.5
57.07059	4.1
57.78953	1.6
59.04985	21.3
60.37548	1.4
60.40946	1.5
65.84837	1.5
67.05488	40.1
69.03412	21.2
71.04968	30.5
79.05463	25.4
81.07047	9.3
83.04965	3.4
85.06519	21.7
87.04464	9.1
91.05437	18.6
93.07007	13.3
95.04943	53.4
95.08588	9.0
97.06490	3.4
101.06021	2.3
105.07015	28.3
107.04900	1.9
107.08569	87.1
109.10110	2.3
113.05196	3.8
113.05983	99.5
114.78556	1.9
117.07009	8.2
119.08569	11.4
121.10114	8.2
129.06943	2.5
131.08525	33.9
133.08305	1.7
133.10088	16.0
135.11699	4.1
143.08560	13.4
145.08600	17.0
145.10094	58.2
147.08012	2.0
147.11656	17.8
149.09612	9.1
155.08513	3.8
157.10126	13.0
159.08046	3.7
159.11661	19.1
161.09615	4.1
161.13196	2.1
165.12737	3.3
169.10054	3.3
171.11668	3.6
173.09590	36.0
173.13274	6.2
175.11116	11.8
177.12627	4.1
183.11681	1.9
185.09657	2.5
185.13197	3.1
187.11154	6.3
189.12630	3.1
191.10597	21.7
191.14288	3.0
195.11720	1.7
201.12805	1.6
203.10681	2.0
209.13322	2.4
211.11171	2.3
211.14737	2.4
215.14459	2.0
253.19415	21.3
271.20511	18.2
289.21707	3.0
291.20853	2.1
309.22043	3.1
319.20615	10.0
337.21576	30.6
355.22565	48.3
373.23645	100.0
391.24664	79.8
409.25912	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	552.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
57.93728	0.5
64.47987	0.4
65.03888	0.8
67.05476	3.7
67.53075	0.5
69.07043	2.1
69.93520	0.5
79.05457	1.1
81.07026	4.6
91.05455	7.4
93.06995	2.2
95.08562	2.6
107.08545	1.1
107.17703	0.6
109.10105	2.1
119.04912	26.5
120.59837	0.6
121.10145	0.9
129.99655	0.6
147.04376	100.0
165.05453	0.6
353.26846	0.9
371.27777	1.0
499.30432	2.1
511.33896	0.9
517.31177	3.4
552.36060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
57.93728	0.5
64.47987	0.4
65.03888	0.8
67.05476	3.7
67.53075	0.5
69.07043	2.1
69.93520	0.5
79.05457	1.1
81.07026	4.6
91.05455	7.4
93.06995	2.2
95.08562	2.6
107.08545	1.1
107.17703	0.6
109.10105	2.1
119.04912	26.5
120.59837	0.6
121.10145	0.9
129.99655	0.6
147.04376	100.0
165.05453	0.6
353.26846	0.9
371.27777	1.0
499.30432	2.1
511.33896	0.9
517.31177	3.4
552.36060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18356	0.5
53.32141	0.5
55.01854	1.2
55.05496	1.0
56.87071	0.5
56.96526	0.7
57.03426	4.5
57.07070	5.0
57.10772	0.5
59.04714	0.7
59.04989	15.1
62.30328	0.6
65.03920	1.5
67.05137	1.2
67.05491	33.0
68.05799	1.0
69.03413	19.6
69.07028	1.1
71.04975	18.9
72.05340	0.6
79.05473	12.5
80.98838	0.5
81.03343	0.9
81.07037	8.0
83.04955	3.8
85.06527	20.6
87.04454	10.1
91.05459	9.6
93.07030	9.4
95.04945	48.8
95.08576	7.3
96.05270	1.2
97.06477	4.4
101.06008	2.7
105.07013	21.2
107.04939	0.7
107.08575	41.9
109.06521	1.5
109.10128	1.2
113.05985	100.0
114.06319	2.7
117.06992	7.1
119.08566	8.9
121.06472	1.0
121.10115	6.5
127.07571	0.8
129.07016	3.0
130.07767	0.9
131.04947	0.7
131.07625	1.3
131.08542	23.7
133.10126	9.6
135.08040	1.2
135.11671	4.2
141.06905	1.1
142.07715	0.7
143.08536	11.1
145.06543	1.0
145.08586	21.4
145.10106	40.7
147.08054	3.1
147.11676	12.1
149.09576	6.8
149.13278	0.9
151.11127	0.7
155.08543	3.8
157.10109	9.1
159.08052	2.7
159.11661	20.8
161.09596	6.0
161.13203	3.1
162.11279	0.8
163.11191	2.9
165.12724	3.2
169.10103	4.0
171.11684	5.4
173.09576	29.9
173.13255	2.8
175.11128	6.8
176.32249	0.7
177.09180	1.1
177.12729	4.1
183.11671	3.5
185.13200	4.0
187.11186	5.6
187.14766	0.7
189.09033	1.0
189.12718	1.5
191.10605	8.8
191.14253	3.3
195.11568	1.0
195.13777	1.0
197.13261	4.1
199.14870	1.3
201.12680	1.5
203.10719	0.9
209.13347	1.3
209.15356	3.4
211.14764	1.0
215.10562	2.8
225.12750	0.7
229.12167	1.1
253.19447	14.6
271.20511	16.9
277.19443	0.9
278.04184	0.8
278.57721	0.6
289.21649	3.0
291.21136	2.7
295.20459	0.8
309.21994	3.6
313.21655	0.9
319.20425	6.0
327.23096	1.4
337.21503	17.1
355.22577	30.4
373.23636	70.2
389.12003	0.7
390.23367	3.3
391.24704	39.8
409.25754	11.5
463.33246	0.6
479.73944	0.9
480.24832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.7
53.03925	1.0
55.01872	0.8
55.05490	1.1
57.03425	14.3
59.04977	4.9
67.05480	3.4
69.03415	52.2
69.07059	1.0
71.04974	15.3
73.02901	0.7
75.04447	1.7
75.43092	0.6
79.05472	2.7
81.03403	2.8
81.07040	4.9
83.04971	5.3
83.08569	1.4
85.02885	32.1
85.06522	2.7
87.04449	30.4
87.04984	1.2
91.05459	3.8
92.09180	3.1
93.07016	6.9
95.04939	7.5
95.08569	5.0
97.02871	32.0
97.06519	4.6
99.04433	40.7
99.08079	1.7
105.06998	6.0
107.08576	13.5
109.02850	1.1
109.06503	4.9
109.10120	5.9
111.04455	1.1
111.08073	1.6
115.03902	27.0
119.08559	23.4
121.06461	1.2
121.10120	11.3
123.08054	13.5
125.05994	1.3
125.09602	14.1
127.03914	3.1
129.68533	0.8
133.04944	18.7
133.10127	2.6
135.04549	0.8
135.08023	1.5
135.11633	9.5
137.05960	1.4
137.09615	5.7
139.07530	0.8
139.11134	0.9
141.09071	1.6
141.81171	0.8
145.04926	1.1
145.10072	4.4
147.04382	1.0
147.08041	5.3
147.11691	4.7
149.09595	0.9
149.13231	9.1
150.07625	1.0
153.09084	4.7
159.11647	14.2
161.09570	0.9
161.13152	0.7
162.06700	0.8
163.11147	13.9
165.09067	16.3
167.06996	1.2
175.11206	1.2
177.12714	17.5
178.06238	2.6
181.08595	3.7
181.12196	3.5
183.10138	6.4
187.11104	5.2
187.14766	0.9
190.06235	3.1
191.03455	0.8
193.08568	3.8
193.12224	3.1
195.13783	17.1
205.12187	12.8
206.05768	1.3
221.08044	16.1
223.13251	54.0
241.14288	100.0
259.08060	1.0
338.73718	0.7
373.18457	1.1
486.56122	0.7
548.89093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01859	2.8
57.03419	1.6
61.02909	2.3
63.50549	0.3
69.03415	6.0
71.04984	0.5
73.02898	0.8
79.05474	4.4
81.03394	3.2
85.02889	20.4
86.24755	0.3
87.04433	0.7
89.03927	0.4
91.03958	0.7
91.05451	3.7
95.04943	1.9
97.02862	7.0
98.97588	0.5
99.04427	0.7
103.05447	6.3
105.03371	3.4
105.07013	68.0
107.04951	1.8
109.02858	2.3
115.03916	0.6
115.05432	11.2
116.98607	0.5
118.04125	4.2
119.04926	2.1
119.08560	0.4
123.04382	0.6
127.03892	4.5
129.06993	0.6
131.04889	2.4
133.06468	63.7
135.08072	0.4
143.04935	1.3
143.06026	4.8
145.04958	3.3
147.04384	1.8
149.05978	0.7
161.05946	100.0
163.03798	0.7
163.06003	0.5
165.09053	3.4
167.07025	1.4
179.06947	1.1
180.08673	1.2
187.07484	1.5
193.04941	7.0
193.08568	55.6
197.08095	0.5
201.05421	0.4
203.07069	0.8
211.09595	2.3
219.06441	1.3
233.06866	0.5
237.02724	0.6
263.09021	0.6
281.10083	1.9
299.94626	0.3
304.26849	0.4
337.08847	0.4
355.10080	0.5
355.13843	0.6
355.66632	0.4
388.28412	0.3
491.14133	0.4
492.14203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34693	0.4
53.00278	0.5
53.03942	1.0
55.01863	4.7
55.05481	0.5
57.03425	5.4
61.02915	5.7
66.15242	0.4
68.06966	0.4
69.03414	22.4
71.04964	2.0
73.02893	3.1
78.43068	0.5
79.05477	5.8
81.03408	7.4
83.04971	0.5
84.04497	0.6
85.02888	56.1
87.04438	2.7
91.03936	2.0
91.05441	3.5
93.06988	2.1
95.04945	2.5
96.04488	0.5
97.02866	18.7
98.06012	0.5
99.04406	3.8
103.03912	0.5
103.05433	6.6
105.07009	68.2
107.04921	2.1
107.08594	0.7
109.02872	5.8
109.06519	0.5
109.10123	0.5
115.03928	7.5
115.05431	12.7
117.05436	0.7
118.04118	3.4
119.04924	3.1
119.08569	1.1
121.06482	3.8
121.10093	0.8
123.04376	2.1
126.05444	0.6
127.03901	12.3
131.04941	3.2
133.06464	60.4
135.07994	0.7
137.04977	0.7
137.05962	12.7
140.04694	0.7
143.04942	0.9
143.06020	5.1
144.06563	0.9
145.04938	9.2
145.06325	1.4
147.04356	3.5
149.05948	2.1
151.07466	0.6
153.05428	0.5
155.07040	3.4
161.05945	100.0
162.07640	0.6
162.09113	0.5
163.03879	1.8
163.06006	1.9
163.11115	0.8
167.07002	6.8
175.07518	0.7
177.05470	0.6
179.06972	1.1
181.08528	2.3
191.07004	1.8
193.04929	20.5
193.08560	57.2
205.08556	0.5
205.12161	2.5
211.09630	11.8
223.13274	1.8
229.10703	1.0
328.86008	0.5
337.09021	1.7
355.10303	2.8
373.14899	2.6
423.78934	0.5
446.46228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69315	0.7
53.03933	1.1
53.36935	0.8
55.01849	1.2
55.05498	4.2
57.03420	5.6
57.07063	5.8
57.28347	0.8
57.60111	0.8
59.04713	0.9
59.04988	15.8
65.03922	3.3
67.05136	1.6
67.05489	37.3
68.32949	0.7
69.03065	1.0
69.03414	17.2
69.07047	3.8
71.04975	22.2
73.06499	0.9
75.04453	1.3
79.05461	9.0
81.03387	1.4
81.07034	15.7
83.04972	1.8
83.08604	1.4
85.02878	4.0
85.06534	24.1
86.18826	0.8
87.04447	11.9
91.05459	15.1
93.07014	15.8
95.04945	45.2
95.08588	12.3
96.05274	0.8
97.02859	1.5
97.06499	1.1
98.97578	3.4
99.08067	1.2
101.06012	3.8
105.07010	18.2
106.33379	0.8
107.04924	1.6
107.08586	9.3
109.06495	5.2
109.10118	7.5
111.08052	1.1
113.05984	100.0
114.06347	2.0
115.05413	1.7
116.06216	1.3
116.98608	1.2
117.07027	7.7
119.08555	12.7
121.06494	5.4
121.10147	7.2
123.08033	1.8
125.05956	3.4
127.07499	0.9
128.06184	4.5
128.98537	1.0
129.06979	10.9
131.08551	15.3
133.06415	3.3
133.10146	8.9
135.08034	5.0
135.11671	4.0
141.06989	4.1
142.07751	1.6
143.00203	1.2
143.08560	15.1
145.06531	1.4
145.08578	22.7
145.10097	13.2
147.07988	5.8
147.11661	6.2
149.09602	1.4
153.05476	1.4
155.07426	0.9
155.08505	7.0
157.06451	3.4
157.10077	7.1
158.99664	1.9
159.08044	10.1
159.11722	6.0
161.09560	5.4
161.13234	1.4
163.07541	4.5
163.11188	3.9
166.07655	0.9
167.08501	1.9
169.10062	6.2
171.08038	5.5
171.11653	6.8
173.09596	4.7
173.13177	1.1
175.07533	13.3
175.11171	4.7
177.00658	1.5
177.09100	3.4
177.12691	1.0
179.08519	1.8
181.10086	6.5
182.99539	1.0
183.11644	4.4
185.09554	6.3
185.13242	3.3
187.07426	1.8
189.09039	10.4
193.10126	1.2
195.11711	3.8
197.09531	4.0
197.13251	3.8
198.13509	0.9
199.11176	6.8
199.14870	1.6
207.11673	1.7
209.09566	9.0
209.13156	1.6
211.11244	6.5
211.14827	1.2
213.08994	1.2
213.12744	3.2
213.16420	1.2
215.14496	1.2
217.12206	1.5
219.01776	2.1
219.11752	1.1
221.13217	1.0
223.11125	3.9
223.14784	1.7
225.09163	3.2
225.12773	2.0
227.10608	14.8
233.13115	1.4
235.11029	1.3
235.14888	1.2
237.02873	3.7
237.12578	1.8
239.10599	1.2
241.12155	1.4
245.11449	1.1
249.12653	1.1
249.16359	1.8
253.12001	1.1
261.12708	1.4
265.15671	0.9
279.03732	2.1
289.19351	3.8
293.19028	1.2
307.20532	4.8
311.20276	1.3
317.18948	10.1
325.21576	3.9
327.22711	1.0
335.20016	21.6
336.20221	1.3
353.21048	47.9
354.21335	5.1
355.22852	1.0
364.74094	0.9
371.22095	70.4
372.22455	3.5
389.23135	90.0
390.23300	1.2
426.80576	1.0
533.30676	1.9
551.22418	4.6
551.72552	4.6
553.72845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3212
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
55.05494	5.0
57.03419	4.1
57.07076	0.7
59.04984	8.3
67.05488	6.6
69.03413	5.8
71.04964	5.1
79.05469	6.0
81.07030	9.2
83.04958	4.9
83.08611	0.8
85.02892	29.8
85.06529	12.6
87.04450	100.0
88.71746	0.8
91.05456	7.2
93.07024	8.6
95.04938	6.8
95.08587	7.7
97.06491	1.3
99.04418	3.1
105.07014	10.2
107.04896	0.9
107.08580	8.1
109.06483	3.4
109.10133	4.5
111.04413	4.6
113.05981	12.8
114.06344	1.1
115.07557	0.9
117.05457	1.1
117.06982	4.5
119.08534	8.1
121.06491	1.4
121.10096	4.2
121.34509	0.8
123.08086	1.0
123.11728	1.3
125.05970	30.9
129.05426	3.1
129.07008	1.3
131.08545	6.0
133.10098	7.2
135.11687	1.4
137.05910	0.9
137.08253	0.7
143.06987	2.9
143.08510	4.3
145.08621	1.6
145.10086	7.1
147.11642	5.5
153.05438	16.1
155.07010	9.1
155.08458	3.1
156.09337	1.0
157.10098	4.6
159.11671	7.8
163.07533	3.7
165.12740	0.9
167.07071	1.1
169.10139	1.4
171.11659	1.6
173.13239	3.8
175.14909	0.8
176.20621	0.7
177.09077	0.9
183.11659	1.9
183.83934	0.7
185.13199	1.5
187.14754	1.8
189.16414	4.0
195.11684	1.8
197.13222	1.4
199.14746	3.9
201.16397	13.4
213.16315	1.1
215.17986	1.6
240.20308	0.9
253.19395	1.3
277.19406	1.5
309.22003	1.4
319.20490	1.5
335.20074	1.2
337.21552	14.4
355.22559	39.0
371.21902	1.5
372.22342	1.0
373.23648	14.2
389.22992	1.2
498.61743	0.8
502.47128	0.8
533.31848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03134	0.5
53.03930	0.6
54.22332	0.5
55.01843	0.6
55.05490	1.2
57.03427	5.9
57.07065	7.1
59.04990	9.4
61.02906	0.7
65.03900	0.9
66.58348	0.5
67.05490	38.2
67.15202	0.5
69.03410	20.9
69.07043	3.8
71.04972	27.1
73.02889	0.5
75.98487	0.5
79.05470	4.8
81.03384	0.8
81.07034	10.1
82.07405	0.6
83.04941	3.3
83.08606	0.6
85.02889	5.4
85.06525	32.5
87.04454	9.5
87.44328	0.5
91.05443	6.3
92.08946	4.0
93.07011	8.7
94.45941	0.6
95.04946	35.0
95.08587	9.2
97.02859	2.9
97.06493	1.3
98.97519	1.2
99.04424	0.7
99.08047	0.8
101.06001	1.4
105.07005	11.5
106.07334	0.8
107.04962	2.4
107.08585	8.4
109.02865	0.6
109.06490	3.8
109.10133	3.9
109.77302	0.7
113.05984	100.0
115.03902	3.1
117.06970	5.7
119.04898	0.7
119.08554	8.2
120.08864	1.1
121.06398	0.8
121.10141	4.5
123.11698	2.5
125.05968	24.6
127.03920	0.9
127.07479	0.8
129.06947	2.3
131.08514	4.8
133.04907	2.6
133.06441	1.0
133.10123	5.6
134.10432	1.0
135.08005	1.3
135.11658	2.8
137.05920	1.3
141.06964	0.8
142.07785	0.8
143.08554	4.7
145.02814	1.4
145.07469	1.0
145.08583	20.4
145.10078	7.3
147.04393	1.1
147.07979	0.8
147.11659	6.1
148.12039	0.9
149.05873	0.8
149.09572	0.8
149.13228	3.2
153.05429	13.0
155.06956	0.9
155.08562	2.3
157.10083	4.7
159.11621	4.6
161.09572	1.1
161.13177	2.4
163.07518	5.3
163.11069	0.7
165.04294	0.6
166.07744	0.7
167.07024	1.0
167.10634	0.8
169.10104	4.0
171.11620	1.0
173.13213	1.2
175.03798	0.9
175.14789	1.0
177.05424	4.8
178.05730	1.1
181.10028	0.7
183.11636	2.5
185.13216	2.8
187.14766	2.5
193.10078	0.7
195.11670	1.4
197.13251	2.2
199.11093	1.3
199.14772	6.0
201.16417	0.8
203.17934	4.4
204.18265	2.6
205.19461	3.0
213.16347	2.9
219.13638	0.7
221.08064	2.9
228.04817	2.3
237.02742	0.8
241.12071	1.0
251.18068	0.7
289.19308	0.9
293.18851	0.8
307.20453	5.7
309.22021	1.4
325.21429	0.9
335.19962	9.7
335.25714	0.7
353.21027	28.2
354.21329	0.7
355.22568	3.0
371.22049	18.0
373.23666	0.7
389.23138	1.1
515.30096	1.1
551.21851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.321
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
52.05571	0.9
53.73273	1.2
55.01869	1.8
55.05499	2.0
57.03432	3.0
57.07063	5.6
59.04995	17.9
61.00665	1.2
65.03927	1.5
67.05495	35.7
69.03416	18.4
69.07059	5.1
71.04974	23.6
72.09683	1.1
79.05479	7.8
81.07030	14.0
83.04969	5.3
83.08632	2.1
85.02885	2.8
85.06534	25.4
87.04455	15.2
91.05453	18.0
92.08985	9.0
93.07023	15.3
95.04943	46.9
95.08598	10.4
97.02891	3.0
97.06525	1.8
98.97596	1.5
105.07030	17.5
107.08569	9.7
109.06499	6.4
109.10162	11.2
110.29342	1.2
111.08112	1.5
113.05990	100.0
114.06329	2.1
117.07011	7.0
119.08546	13.9
121.06489	6.1
121.10126	6.8
123.08075	2.7
125.05972	2.6
128.06209	3.1
129.07018	11.9
130.07788	1.5
131.08554	16.2
133.06479	6.2
133.10123	10.7
135.08031	2.0
135.11688	5.0
141.07014	1.7
143.08557	14.5
145.08582	26.6
145.10103	11.6
147.07979	2.5
147.11679	5.1
149.13237	2.2
154.07747	1.4
155.08545	5.2
157.06490	5.1
157.10118	11.9
159.08049	9.8
159.11694	6.6
161.09601	2.4
163.07506	2.7
163.11249	1.6
165.12694	1.3
166.07732	1.3
169.10078	2.8
171.08005	6.3
171.11674	3.1
173.09608	6.3
173.13196	1.8
175.07486	14.8
175.11203	2.9
177.09149	2.4
177.12721	1.6
179.08455	1.9
181.10124	6.5
183.07971	1.5
183.11647	5.9
185.09604	6.9
185.13283	2.6
187.11201	1.5
189.09018	9.9
191.10718	1.6
195.11696	4.8
197.09619	5.8
197.13245	5.3
198.07089	1.2
199.11211	9.2
199.14783	1.5
207.11725	1.6
209.09518	9.8
209.13164	1.8
211.11221	5.6
213.12885	2.3
217.86565	1.4
223.11153	5.2
225.12721	2.2
227.10651	14.1
233.12875	1.4
235.11008	2.5
241.12383	1.7
261.12598	1.8
275.14285	1.3
279.03705	2.2
289.19638	1.6
307.20532	5.8
311.20139	1.9
317.18985	9.8
325.21637	2.1
335.20044	18.6
335.55051	1.4
353.21078	44.2
354.21207	1.8
371.22083	63.3
371.26770	2.5
372.22440	2.9
389.23151	93.9
390.24127	1.6
481.24216	1.5
533.30432	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	551.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03134	0.5
53.03930	0.6
54.22332	0.5
55.01843	0.6
55.05490	1.2
57.03427	5.9
57.07065	7.1
59.04990	9.4
61.02906	0.7
65.03900	0.9
66.58348	0.5
67.05490	38.2
67.15202	0.5
69.03410	20.9
69.07043	3.8
71.04972	27.1
73.02889	0.5
75.98487	0.5
79.05470	4.8
81.03384	0.8
81.07034	10.1
82.07405	0.6
83.04941	3.3
83.08606	0.6
85.02889	5.4
85.06525	32.5
87.04454	9.5
87.44328	0.5
91.05443	6.3
92.08946	4.0
93.07011	8.7
94.45941	0.6
95.04946	35.0
95.08587	9.2
97.02859	2.9
97.06493	1.3
98.97519	1.2
99.04424	0.7
99.08047	0.8
101.06001	1.4
105.07005	11.5
106.07334	0.8
107.04962	2.4
107.08585	8.4
109.02865	0.6
109.06490	3.8
109.10133	3.9
109.77302	0.7
113.05984	100.0
115.03902	3.1
117.06970	5.7
119.04898	0.7
119.08554	8.2
120.08864	1.1
121.06398	0.8
121.10141	4.5
123.11698	2.5
125.05968	24.6
127.03920	0.9
127.07479	0.8
129.06947	2.3
131.08514	4.8
133.04907	2.6
133.06441	1.0
133.10123	5.6
134.10432	1.0
135.08005	1.3
135.11658	2.8
137.05920	1.3
141.06964	0.8
142.07785	0.8
143.08554	4.7
145.02814	1.4
145.07469	1.0
145.08583	20.4
145.10078	7.3
147.04393	1.1
147.07979	0.8
147.11659	6.1
148.12039	0.9
149.05873	0.8
149.09572	0.8
149.13228	3.2
153.05429	13.0
155.06956	0.9
155.08562	2.3
157.10083	4.7
159.11621	4.6
161.09572	1.1
161.13177	2.4
163.07518	5.3
163.11069	0.7
165.04294	0.6
166.07744	0.7
167.07024	1.0
167.10634	0.8
169.10104	4.0
171.11620	1.0
173.13213	1.2
175.03798	0.9
175.14789	1.0
177.05424	4.8
178.05730	1.1
181.10028	0.7
183.11636	2.5
185.13216	2.8
187.14766	2.5
193.10078	0.7
195.11670	1.4
197.13251	2.2
199.11093	1.3
199.14772	6.0
201.16417	0.8
203.17934	4.4
204.18265	2.6
205.19461	3.0
213.16347	2.9
219.13638	0.7
221.08064	2.9
228.04817	2.3
237.02742	0.8
241.12071	1.0
251.18068	0.7
289.19308	0.9
293.18851	0.8
307.20453	5.7
309.22021	1.4
325.21429	0.9
335.19962	9.7
335.25714	0.7
353.21027	28.2
354.21329	0.7
355.22568	3.0
371.22049	18.0
373.23666	0.7
389.23138	1.1
515.30096	1.1
551.21851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.7
53.03939	1.8
55.01857	1.4
55.05503	16.4
55.80624	0.8
57.03432	11.6
57.07057	5.6
57.07298	0.7
59.04976	5.5
61.02901	1.7
67.05482	14.1
69.03411	41.5
69.07050	16.3
71.04971	25.6
73.02892	1.8
73.06557	0.8
75.04453	1.5
79.05043	1.4
79.05466	23.6
81.03382	5.3
81.07034	100.0
83.04969	3.6
83.08593	6.2
83.23495	0.9
85.02885	37.5
85.06516	5.5
86.09675	4.9
87.04445	25.0
88.04786	1.3
91.05453	15.8
93.07020	45.7
95.04932	3.8
95.08575	42.1
97.02866	33.5
97.06506	4.3
97.10148	4.2
99.04440	1.8
99.08052	3.3
103.03904	1.2
105.06361	1.6
105.07013	34.6
107.08570	69.6
109.02840	1.8
109.06494	4.1
109.10135	38.1
109.77283	0.9
111.04377	1.2
111.08032	1.7
112.41254	0.8
115.03902	22.4
117.06956	1.7
119.08548	50.4
120.08065	3.7
121.06487	1.7
121.10110	18.7
123.04404	1.7
123.08065	2.0
123.11674	21.7
125.09599	8.1
127.03899	4.3
127.11149	10.1
129.06953	1.2
131.08551	7.1
133.04933	20.7
133.10101	41.4
135.07999	1.2
135.11659	89.6
137.09564	2.0
137.13217	4.6
139.11183	1.0
143.08504	4.3
143.10660	23.4
145.02870	1.4
145.04912	3.8
145.10112	5.9
147.04385	1.9
147.07903	1.1
147.11644	24.9
149.13271	9.8
151.11159	1.6
153.12686	3.6
155.08505	1.2
157.10086	5.2
159.11649	9.7
161.13210	14.7
163.03914	1.6
163.11133	1.7
163.14806	4.0
165.12671	2.1
166.99403	0.9
169.10086	1.0
171.11667	1.4
173.13170	1.5
175.11108	0.8
175.14789	4.8
177.05298	1.1
179.10710	1.0
181.04845	1.5
185.13177	1.6
187.14845	1.0
189.09062	1.0
189.16371	1.1
201.16397	1.7
203.14784	1.0
203.17896	39.2
203.19664	1.5
221.18953	36.3
221.51862	0.9
222.15495	1.0
227.17862	1.1
238.06349	0.9
239.19939	1.8
241.07082	1.2
253.55855	0.9
295.10278	2.8
317.21057	1.3
317.24585	2.0
335.25702	1.6
353.23041	1.3
353.26929	1.3
371.22128	1.3
464.12872	1.0
486.35693	1.0
551.19550	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	551.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09034	0.9
56.44835	1.1
56.96554	10.0
69.03411	1.7
72.90746	1.2
84.96024	6.1
85.02888	2.1
92.08819	4.0
92.09317	1.4
97.06553	1.4
98.97562	33.8
110.97562	5.5
112.99074	1.5
115.07560	1.9
115.18366	1.2
116.98603	20.7
128.98584	14.1
131.00154	2.6
134.99673	9.4
135.04410	1.8
143.00156	5.6
144.98082	1.9
146.99643	10.8
147.04434	1.4
149.01276	1.8
152.98602	1.4
153.05440	16.3
154.05807	2.1
158.99615	6.3
159.10149	1.5
161.01244	8.5
163.03902	17.8
164.04234	2.8
170.99622	7.0
177.00621	12.2
179.02277	1.6
182.99649	1.4
189.00665	11.6
189.04245	9.1
195.06616	1.3
196.55141	1.2
201.00697	8.4
203.03368	6.1
204.03699	2.0
207.01634	1.2
207.05449	7.9
209.04416	1.5
215.05841	8.3
219.01732	29.2
233.06859	11.1
237.02771	78.9
239.05774	1.5
249.02760	1.9
255.03876	6.0
257.06979	9.8
273.06268	2.0
275.07913	1.9
299.07983	1.7
339.07034	5.4
340.07425	2.3
341.09082	5.0
356.69977	1.4
359.10052	26.6
371.10083	2.2
377.11139	23.7
491.14276	100.0
495.32251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	17.6
55.05497	22.3
57.03421	26.1
57.86752	3.5
62.97229	3.8
67.05492	100.0
67.06440	4.0
69.07056	26.1
71.61458	4.2
79.05471	68.9
81.03378	5.4
81.07037	72.7
83.04955	26.5
83.08582	4.8
91.05447	31.3
93.07018	77.5
95.04948	6.1
95.08569	47.5
97.06503	8.5
97.10166	6.3
101.79192	3.7
105.07001	8.0
107.08573	45.4
109.10140	20.0
111.08086	4.6
117.06989	7.4
119.08537	10.0
121.10114	26.0
131.08540	5.0
134.92625	4.3
135.08076	5.8
135.11699	45.0
141.15691	4.3
145.10121	5.5
153.12706	7.0
159.11787	5.6
163.11188	4.5
181.12207	5.5
182.56927	4.5
255.15857	54.7
328.04272	4.7
335.25693	66.7
432.17499	5.3
515.37262	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35167	2.2
54.87812	2.7
55.05502	55.2
57.03429	7.3
57.07066	35.3
61.02907	12.2
67.05491	69.8
68.39329	2.7
69.07053	84.8
69.07402	4.2
71.08610	22.4
75.13550	2.5
75.46503	2.6
77.51347	2.6
79.05472	24.0
79.80178	2.8
80.46562	2.7
81.07025	73.6
83.08598	70.9
85.02893	5.7
85.06507	4.9
85.10168	13.4
90.43617	2.6
91.05424	5.0
92.09362	3.5
93.07007	45.2
95.08582	76.1
97.06528	12.6
97.10136	47.9
100.41042	2.8
105.07022	4.4
107.08568	24.8
109.10132	32.6
111.08051	6.2
111.11711	13.0
119.08585	3.3
121.10121	61.2
122.57403	3.0
123.11683	16.4
125.09608	5.6
127.03859	3.2
135.11662	47.2
139.11163	4.7
149.13240	14.3
153.12695	4.1
163.14825	6.8
165.16397	4.3
169.10159	2.8
175.37337	2.9
191.17935	3.6
219.68834	2.8
261.25687	39.0
279.26776	86.1
297.27774	14.8
302.56134	3.3
353.30389	100.0
371.31442	37.4
382.19128	3.3
550.38116	6.9
550.62634	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	550.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	5.2
59.04978	7.7
59.65934	1.3
65.03915	1.8
67.05499	27.5
69.03416	14.4
69.07072	3.0
70.58137	1.3
71.04984	15.7
72.08141	1.6
79.05482	5.6
81.07036	12.4
83.04904	1.7
85.06529	31.6
87.04449	5.6
90.44445	1.2
91.05453	3.1
93.07019	3.3
95.04948	32.6
95.07999	1.3
95.08583	8.8
97.06534	1.5
100.11214	3.0
102.98908	1.4
105.07034	7.9
107.08574	8.4
107.35954	1.3
109.10141	2.8
113.05987	100.0
119.08557	6.3
121.10146	6.9
131.08521	3.1
133.10104	6.5
135.11646	5.9
143.08539	1.6
145.08582	21.9
145.10156	2.8
147.11668	3.4
147.26450	1.4
157.10040	1.5
157.20726	1.3
159.11659	2.1
161.13257	3.1
171.05022	6.0
173.13152	2.1
175.14748	2.1
185.13179	2.2
195.11671	1.7
199.14801	2.0
213.16402	1.5
257.15320	2.6
293.22574	1.7
321.22113	3.1
324.17017	1.6
339.23068	26.4
353.20969	2.2
357.24170	9.5
371.22144	6.2
375.25201	23.5
415.23270	1.6
523.28699	2.2
541.30432	2.4
559.30597	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	550.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27974	0.6
55.01870	1.1
55.05483	4.0
57.03424	12.0
57.07067	5.9
59.04987	9.6
61.02902	1.5
65.03918	1.7
67.05141	1.3
67.05489	33.7
69.03413	36.8
69.07043	6.9
71.04973	23.0
71.75704	0.7
73.02878	1.0
75.75186	0.9
79.05463	7.5
81.03387	3.1
81.07038	17.9
83.04965	1.1
83.08604	3.1
85.02414	1.4
85.02890	26.0
85.06525	25.0
87.04448	18.2
91.05468	9.4
92.08697	1.6
93.07022	14.4
95.04941	35.9
95.08580	24.9
97.02874	16.0
97.06484	0.8
99.04422	1.6
101.06008	1.1
105.07015	23.4
107.08565	16.5
109.02896	1.4
109.06484	1.6
109.07213	0.8
109.10140	12.7
111.08099	0.9
113.05986	100.0
115.03929	11.3
117.07006	1.4
119.08556	19.7
121.06453	1.3
121.10100	8.7
123.08038	4.0
123.11668	4.8
125.05949	0.9
127.03857	4.9
127.07539	0.8
129.06973	2.7
131.08560	4.7
133.04944	8.9
133.06473	1.6
133.10100	13.0
135.08044	3.8
135.11636	5.3
137.05963	1.2
141.06956	1.2
142.07764	1.0
143.08531	4.6
145.04970	3.9
145.06470	6.9
145.08574	14.8
145.10092	8.5
146.10677	0.8
147.11667	29.4
149.13213	3.2
150.07547	1.4
155.08533	3.9
157.10117	4.1
159.08003	1.8
159.11670	5.2
161.13193	8.7
163.14700	2.7
165.12717	3.5
167.08554	1.3
169.10072	1.7
171.11723	1.1
173.13263	2.6
175.07489	1.2
175.14780	6.5
181.10063	4.6
183.08061	0.8
183.11630	1.8
185.13217	3.5
187.07552	6.1
187.14783	2.8
191.07013	1.5
191.14304	9.2
193.10153	1.2
195.11633	3.5
199.11079	1.4
199.14767	3.2
201.16389	1.0
203.06927	0.9
203.17915	35.3
209.09706	0.8
209.13467	0.8
221.18973	6.7
225.09091	3.2
227.10570	7.1
229.12251	0.8
233.13312	1.0
237.02742	0.8
237.16287	0.9
237.18369	1.0
238.18858	1.2
239.10570	3.9
241.12183	5.1
253.12128	1.6
295.10098	1.4
307.20303	0.9
335.19830	12.0
336.88837	0.8
345.39130	0.8
353.20972	21.1
371.22134	20.4
389.23132	93.6
470.44083	0.8
510.21799	0.7
533.25848	10.3
543.30109	0.9
551.22198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38865	0.4
54.45464	0.4
55.01855	0.5
55.05498	1.0
57.03422	4.6
57.07059	6.1
59.04987	6.4
65.03916	1.0
67.05489	31.3
69.03068	0.8
69.03414	17.2
69.07052	2.9
70.90117	0.4
71.04977	24.7
79.05464	4.6
81.03381	0.5
81.07040	6.7
83.04951	3.6
83.08573	1.0
85.02882	4.3
85.06523	32.4
87.04461	6.7
91.05464	4.8
93.07001	4.0
95.04944	29.6
95.08569	5.2
97.02869	3.1
97.06513	1.9
101.05972	0.6
105.07005	7.8
107.04929	1.8
107.08571	9.0
109.06483	4.4
109.10133	4.6
110.10480	0.5
110.69647	0.5
111.04391	0.7
113.05984	100.0
115.03899	2.0
117.06985	2.7
119.08561	4.8
120.08910	0.5
121.06476	0.9
121.10131	4.1
123.11642	0.9
125.05963	30.8
129.06982	2.0
131.08536	4.5
133.04948	0.8
133.10101	4.2
135.11641	0.9
137.05962	0.8
137.09616	0.6
141.07004	0.7
143.08543	4.1
145.06511	0.5
145.08583	18.1
145.10051	4.7
146.10515	0.8
147.11694	4.4
149.13205	0.8
153.05440	22.0
155.07059	2.7
155.08504	0.7
157.10127	4.4
159.11685	3.8
161.13264	2.8
163.07530	1.0
165.06929	0.6
167.07079	0.7
167.08458	1.8
169.10086	0.9
171.08107	0.7
171.11636	2.2
173.13232	1.2
175.14772	1.0
177.16385	3.2
181.10143	2.7
183.11667	1.2
185.09494	0.6
185.13162	1.0
187.07491	0.5
187.14706	3.5
191.07004	2.3
195.11629	2.2
197.13214	1.0
199.11172	0.7
199.14761	5.5
201.16434	0.8
202.16591	0.9
203.17856	3.4
205.10081	0.6
207.11699	1.1
209.09587	0.9
209.13177	0.7
211.14864	0.6
213.12703	0.6
213.16356	1.2
215.10690	0.5
219.13742	0.6
221.18973	3.6
225.09073	0.7
227.10553	1.9
239.20071	3.6
241.12233	1.1
251.17825	0.6
253.12192	0.5
269.15341	0.5
293.15500	0.5
293.19006	0.8
307.20514	6.1
309.22141	2.9
325.21600	2.7
335.20032	6.5
353.21005	29.8
353.25308	1.1
371.22061	22.1
389.23148	23.6
469.29248	0.5
497.28842	3.3
515.30151	4.5
533.31653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	2.8
57.07064	3.7
57.85234	1.3
59.04988	13.4
65.03937	1.6
67.05485	30.2
69.03413	21.1
69.07016	1.3
69.08608	1.2
71.04967	15.1
79.05458	2.0
81.07038	2.9
83.04970	3.2
85.06525	23.0
87.04454	6.3
91.05458	3.7
92.08778	9.3
93.07002	2.9
95.04950	39.9
95.08574	2.7
105.07005	10.3
107.08578	16.6
113.05985	100.0
117.07002	2.4
119.08536	6.7
121.10091	2.8
129.06972	2.9
131.08540	10.9
133.10078	3.1
135.11674	1.5
143.08527	3.6
145.08589	18.4
145.10101	9.8
157.10091	5.5
159.11659	1.9
161.09575	6.1
171.11650	2.1
173.13278	2.2
175.07587	1.7
175.11208	2.0
189.09074	12.7
197.09790	1.6
203.10588	2.8
216.99916	1.5
231.10339	1.7
335.19873	3.7
353.21024	14.4
371.22104	20.6
389.23123	60.2
400.38831	1.6
407.24136	3.7
448.09155	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	550.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07689	0.7
57.03422	4.0
57.07053	4.6
57.63613	0.8
59.04733	1.0
59.04988	11.4
64.33714	0.8
65.03902	1.2
67.05141	1.3
67.05489	30.4
69.03413	17.8
71.04662	0.8
71.04978	15.9
79.05476	5.0
81.07027	1.7
83.04958	3.3
85.06525	25.0
87.04436	6.6
87.32933	0.8
91.05448	1.6
92.08658	0.8
93.07002	4.1
95.04942	44.0
95.08552	1.9
97.06510	0.8
101.34413	1.0
105.06997	10.2
107.08582	17.5
113.05983	100.0
117.07016	4.9
119.08537	1.8
121.10081	1.1
123.08061	1.0
129.06964	1.6
131.08562	8.4
133.10107	3.9
143.08530	4.4
145.08568	19.3
145.10063	6.7
147.08017	1.1
147.11659	1.7
149.09598	1.9
157.10075	6.5
159.11667	6.0
161.09584	3.9
167.08502	1.0
171.11591	3.8
173.09602	1.2
173.13252	6.9
175.07538	1.0
175.11160	2.0
185.09572	2.1
189.09061	13.5
191.14297	1.7
203.10579	9.1
231.10063	1.8
249.11180	2.1
307.19962	0.9
335.19919	4.9
353.21082	9.3
371.22134	13.8
389.23141	69.0
407.24332	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	550.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.03424	4.6
57.07060	5.5
59.04992	9.2
66.08353	0.8
67.05490	24.1
69.03419	17.3
70.79852	0.8
70.80893	0.9
71.04979	18.5
77.75481	0.9
79.05451	5.1
81.07031	4.2
83.04948	1.3
83.08558	0.9
85.06528	19.5
87.04453	7.0
88.33799	0.8
91.05453	7.4
92.64529	1.3
93.07015	5.8
93.87009	0.9
95.04949	43.4
95.08594	2.2
99.64097	1.0
101.05979	1.3
105.07012	14.9
107.08567	14.1
109.10143	1.7
113.05993	89.9
117.07003	4.4
119.08561	5.3
121.10098	1.8
126.69994	0.8
128.06186	2.2
129.06975	4.3
131.08543	12.1
133.10141	10.6
135.11678	2.0
143.08549	13.3
145.08583	18.5
145.10059	13.2
147.08035	4.4
147.11690	3.9
149.09552	1.8
155.08527	1.1
157.10106	5.4
159.07892	1.1
159.11688	8.2
161.09560	10.7
161.13287	1.5
163.07541	1.6
171.07942	6.8
171.11633	1.9
173.13220	2.3
175.07584	3.3
175.11159	4.6
175.14792	4.2
177.09100	2.1
177.12729	4.1
183.11665	1.3
185.09552	2.1
187.07556	2.2
189.09065	24.7
191.10617	1.0
199.11174	1.2
201.09053	1.9
203.10800	1.4
209.15352	1.2
225.09129	1.3
229.12064	1.2
241.12337	1.5
288.40836	1.1
307.20508	4.1
317.18900	1.8
325.21573	4.1
335.19995	12.5
353.20963	20.6
371.22113	30.4
389.23157	100.0
407.24033	2.1
542.85626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51549	0.1
51.40917	0.1
53.00295	0.1
55.01842	0.2
55.05497	0.6
56.05030	0.1
57.03203	0.1
57.03426	1.8
59.04999	0.2
61.02904	0.8
63.10757	0.1
69.03418	5.7
71.04981	0.1
71.59032	0.1
73.02872	0.2
73.06537	3.1
74.06056	0.8
75.04448	0.1
79.05466	0.6
81.03396	1.0
83.04969	0.5
85.02889	11.8
87.04449	4.1
91.03939	0.6
91.05457	0.2
93.03313	0.1
93.07027	1.0
96.03904	0.1
97.02254	0.2
97.02870	5.9
98.97544	0.2
99.04425	0.4
101.06007	0.2
103.03946	0.2
103.04750	0.2
103.05445	4.9
106.08730	0.1
107.04942	3.3
109.02864	0.8
111.04443	0.2
111.17353	0.1
113.49759	0.1
115.03906	5.6
115.04729	0.2
115.07534	0.2
116.07056	0.2
116.98579	0.1
119.15585	0.1
120.08080	100.0
121.08430	0.7
126.80657	0.1
127.03896	2.9
128.44745	0.1
131.04904	2.8
133.04942	5.5
137.05949	0.7
139.03856	0.2
144.06554	0.1
145.04941	4.5
147.04337	0.4
149.05966	1.6
163.05972	2.1
166.08606	23.0
167.09052	0.1
169.68523	0.1
217.10692	0.2
223.11693	0.9
245.10219	0.1
251.39798	0.1
253.12804	4.0
259.08084	0.6
295.10205	0.5
512.71948	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	550.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81799	1.0
57.03428	1.9
57.07055	5.5
59.04991	8.4
66.16416	0.8
67.05490	29.6
69.03125	0.9
69.03418	16.9
69.07072	0.9
71.04613	1.1
71.04977	22.6
79.05476	2.3
81.07048	7.4
83.04964	1.3
83.08614	0.8
85.02876	1.2
85.06523	26.6
87.04453	4.6
91.05453	5.8
92.08630	1.0
93.07027	4.5
95.04945	35.8
95.08555	3.8
100.40194	0.9
105.07016	5.9
107.08564	5.3
109.10127	3.7
113.05986	100.0
117.06999	1.5
117.80312	0.9
119.04967	1.4
119.08580	3.9
121.10136	1.7
125.05962	2.2
129.07054	1.3
131.08528	3.6
133.10092	4.5
135.11662	1.1
141.06921	1.3
143.08479	1.9
145.08569	19.1
145.10074	5.0
147.11679	3.8
149.13248	1.3
153.05397	1.2
155.08527	2.2
157.10081	4.0
159.11662	2.3
159.15817	0.8
169.09973	1.4
173.13197	1.3
175.14955	1.3
183.08060	1.0
183.11694	1.8
187.14804	2.0
194.10863	0.9
195.11609	1.5
199.14828	2.0
207.11771	1.2
219.11664	1.3
225.09062	1.3
227.10652	2.0
229.91409	0.9
253.12173	2.3
289.19434	1.1
307.20343	1.3
317.18942	1.2
323.19962	1.2
335.20010	9.6
341.21115	4.7
353.21088	14.9
371.22086	48.4
389.23141	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01848	0.5
55.05488	0.8
57.03413	2.0
57.07062	0.5
67.05495	3.1
69.03133	0.5
69.03415	8.1
69.07043	1.8
71.04952	1.7
71.09242	0.3
79.05459	1.9
81.03406	7.6
81.07032	6.2
83.04945	0.7
85.02895	6.6
85.06510	1.7
87.04455	3.1
89.03899	4.2
91.05461	3.3
93.07034	4.5
95.04924	2.1
95.08572	3.3
97.02866	5.4
99.04391	0.7
102.09335	0.4
103.05475	0.6
105.07025	6.7
107.08578	5.5
109.02860	1.8
109.06519	1.6
109.10133	3.5
113.05950	0.7
115.03886	3.0
117.03363	21.5
117.06966	0.8
119.08549	6.0
120.08935	0.5
121.06472	1.0
121.10104	3.8
123.08054	0.5
123.11662	0.9
127.03906	0.9
131.08521	2.0
133.02745	0.4
133.04953	1.8
133.10101	3.0
134.03607	0.8
135.04387	1.7
135.08017	1.6
135.11658	1.5
137.09583	0.9
139.96988	0.4
143.08438	0.5
145.02829	73.0
145.10089	4.2
146.03075	0.5
147.08014	0.7
147.11707	3.2
149.05971	10.1
149.09566	0.6
151.07324	0.6
151.11172	0.5
151.28165	0.5
159.11613	2.2
161.09567	0.7
161.13226	1.6
163.03923	1.7
163.11157	3.4
165.12701	0.6
167.06966	0.8
173.13240	0.6
175.11092	0.6
175.14766	0.9
177.05432	100.0
178.05701	0.7
179.07045	0.5
181.12193	2.0
185.13286	0.5
186.05492	0.8
191.10605	0.7
191.14255	0.6
193.15842	0.7
195.04822	0.5
195.06389	1.3
202.54185	0.5
203.14354	0.8
203.17903	2.7
207.06488	0.5
221.15288	1.9
221.18968	2.2
239.16466	3.3
239.18634	0.4
245.42351	0.4
280.71503	0.4
321.09576	4.5
335.22083	0.9
339.10620	6.5
353.16174	0.5
371.86795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3056
Annotation	Paliurine E
Peak:m/z	Relative Intensity
55.01868	0.7
55.05497	0.7
55.31143	0.4
57.03424	3.9
57.07066	4.8
59.04712	0.8
59.04991	18.9
65.03918	2.4
67.05493	33.9
69.03065	0.7
69.03417	13.3
69.07048	0.7
71.04976	25.4
73.06515	0.6
75.04430	0.5
79.05474	5.4
81.07041	5.1
83.04963	2.6
83.08592	0.6
85.06530	28.6
87.04451	12.9
91.05467	8.3
91.83846	0.6
93.07024	11.8
95.04950	48.2
95.08569	3.5
97.06525	1.2
99.08073	0.7
101.06008	3.5
105.07021	9.6
107.04932	2.0
107.08604	6.2
109.06502	12.2
109.10139	2.5
111.04420	0.5
113.05991	100.0
117.07041	3.8
119.08566	6.6
121.06486	3.5
121.10116	1.1
122.88573	0.5
123.04439	0.5
123.08035	2.5
125.05966	13.6
127.07563	1.1
128.06256	0.7
129.06982	3.2
131.08537	9.0
133.06456	0.9
133.10086	4.3
135.08049	2.9
135.11679	1.1
137.05977	0.5
141.06953	0.8
142.07733	1.0
143.08548	7.2
145.06477	2.9
145.08591	21.0
145.10112	10.1
147.07991	4.1
147.11630	3.9
149.05988	1.0
149.09599	0.6
153.05435	6.8
153.06688	0.6
154.07750	0.9
155.08522	3.8
156.09331	0.9
157.06480	0.6
157.10106	5.5
159.08028	2.8
159.11653	4.3
161.09605	4.5
161.13254	2.6
163.07491	0.7
163.11182	0.7
166.07692	0.6
167.08536	1.2
169.10037	4.6
171.08038	2.4
171.11647	4.6
173.09572	4.0
173.13226	1.1
175.07661	1.0
175.11171	2.5
177.09050	2.4
179.08575	0.9
181.10150	3.0
183.08051	1.0
183.11717	3.2
185.09601	2.1
185.13306	2.0
187.11180	2.8
187.14806	1.1
189.07538	0.5
189.09021	4.0
189.12654	0.7
191.10635	1.1
193.10126	1.2
195.11664	4.0
197.09630	3.2
197.13190	4.0
198.10237	0.6
199.11165	2.4
201.12746	2.2
207.11685	2.2
209.13277	0.7
211.11217	2.0
211.14821	2.3
213.09207	0.8
213.12743	3.4
215.10559	5.1
215.14336	2.6
217.12303	1.8
219.11644	0.7
221.13252	0.6
223.11142	0.8
223.14780	0.6
229.12239	0.9
229.15875	2.3
231.13739	0.8
233.13376	0.8
235.16995	1.7
239.10588	0.9
239.14198	1.0
241.12202	0.8
241.15846	1.0
243.10175	3.2
249.12766	0.8
253.12341	0.6
253.15831	0.7
259.16919	2.3
263.14612	0.6
263.17963	1.2
265.15778	0.7
267.13544	0.7
270.99271	0.5
273.16385	0.6
275.14154	0.9
281.15390	0.9
281.18933	0.8
287.17902	2.0
291.17383	0.8
293.15378	0.8
295.20493	0.7
305.18945	5.1
307.20569	0.8
309.18292	4.6
315.17371	0.7
319.54626	0.6
323.19995	11.1
325.21613	2.4
327.19394	0.8
333.18454	5.7
341.21060	15.1
343.22458	1.1
351.15527	1.0
351.19516	19.7
369.20544	34.4
387.21600	30.8
405.22641	25.1
449.90906	0.5
469.57315	0.5
518.36981	0.6
531.29510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06846	1.3
50.66473	1.3
50.80788	1.4
55.01865	1.6
55.05500	33.2
56.57970	1.5
57.03408	6.6
57.07067	12.1
61.02907	9.4
65.03916	1.9
67.05139	3.2
67.05494	76.8
69.03368	1.7
69.07055	34.6
71.04999	1.9
71.08604	9.3
79.05470	26.7
81.07039	100.0
83.08604	26.2
85.02873	7.7
91.05466	16.0
93.07038	23.6
95.04943	2.2
95.08006	3.4
95.08583	82.4
97.02821	2.4
97.06514	2.9
97.10149	18.4
97.83668	1.7
99.08082	2.8
105.07053	15.7
107.08570	20.4
109.10138	39.2
111.08087	2.9
111.11699	3.2
117.07005	1.9
119.08587	14.7
121.10126	17.5
123.08048	1.6
123.11672	16.3
128.03232	1.7
133.10104	14.5
135.11688	11.7
137.13232	6.4
147.11662	10.8
149.13162	4.2
151.14784	2.1
161.13246	10.3
163.14807	4.0
165.16397	2.8
170.78487	1.9
175.14790	12.2
177.16307	7.8
179.17944	3.5
189.16383	4.2
193.19423	2.0
203.17807	1.7
233.78317	2.2
259.24133	38.6
277.25171	55.5
287.46747	2.0
310.14124	1.7
351.28879	43.0
369.29681	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	549.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01864	12.2
57.03416	6.4
61.02905	6.5
67.05502	1.6
69.03410	15.0
69.07071	1.2
71.04967	1.4
73.02905	1.4
78.04675	2.1
79.05474	12.8
81.03386	5.9
81.07020	4.1
83.04942	1.3
83.08553	1.6
85.02885	34.6
87.04442	4.4
91.05457	10.5
92.08940	4.5
93.07017	4.0
95.04955	9.9
95.08568	2.5
97.02879	10.6
99.04447	1.4
103.05463	9.9
105.06997	16.0
106.04121	1.3
107.04935	19.5
107.08556	4.0
109.02856	6.6
109.10123	3.7
111.08011	1.1
115.03931	1.0
115.05458	8.0
117.06985	6.6
118.04104	4.6
119.04948	4.2
119.08555	5.6
120.05713	1.2
120.91528	1.1
121.02838	1.8
121.06467	4.4
121.10103	2.1
122.03591	1.3
123.04410	8.9
124.04295	1.0
124.05190	6.7
125.05939	1.2
127.03882	4.2
127.62586	1.0
128.06194	5.8
129.07008	13.0
130.04118	1.7
131.04892	19.6
132.05676	2.5
133.06447	6.1
133.10133	1.0
134.03613	1.7
135.04416	2.3
135.08025	1.8
135.11752	1.3
136.28146	0.9
137.05939	5.7
139.07530	1.2
140.04663	1.2
143.04874	4.6
144.05646	2.3
145.02823	2.1
145.04828	1.1
145.06494	3.9
145.10103	4.3
147.04366	4.7
147.08064	1.5
147.11624	1.5
148.05170	1.8
149.05986	4.2
151.03838	2.2
152.04642	6.3
153.05434	5.1
155.04874	4.6
155.05986	1.3
157.06429	10.7
157.10046	1.5
159.04341	1.7
159.08008	2.2
160.05154	2.0
161.05940	9.2
161.13248	2.2
163.03862	4.6
163.07474	2.0
165.06927	1.8
167.07005	100.0
168.07349	1.6
171.04388	2.2
172.05161	1.5
173.05913	10.2
173.13170	1.4
175.03908	1.4
175.07524	10.3
176.04610	5.5
177.05495	7.0
177.06863	1.0
177.09090	2.1
178.07756	2.0
180.04097	1.1
183.04414	2.3
185.05936	8.7
187.07420	7.4
188.04716	1.5
189.06914	4.2
190.07741	2.5
191.06987	27.2
191.08510	5.8
192.07777	1.5
193.06783	1.4
193.08536	13.5
194.07300	2.3
195.06601	8.8
199.07448	6.1
201.16292	1.7
202.07747	8.0
203.06929	7.3
203.08588	5.8
205.06474	7.1
206.07256	7.1
207.08034	2.4
209.09708	1.0
211.07449	1.2
215.06924	7.8
217.06548	3.2
217.08499	16.4
218.07239	6.9
219.07953	14.3
219.13744	1.2
219.17435	1.3
220.05103	1.0
220.08794	2.4
221.05960	6.5
221.09630	6.2
222.06691	2.1
223.07552	1.4
224.08228	1.2
229.06496	1.4
230.06950	1.0
231.08022	14.1
233.05894	6.1
233.09473	1.4
234.06671	12.3
235.07524	6.2
236.08246	2.1
237.09145	1.5
237.18407	1.2
239.06895	1.6
244.05067	2.0
245.05913	4.5
246.06665	9.6
247.07510	16.3
248.08278	11.1
249.05383	4.2
249.08974	15.1
250.06119	1.7
250.09903	1.2
251.06960	5.4
252.07660	2.0
257.05850	2.3
258.06747	5.1
259.07462	13.9
260.08209	2.4
261.05432	4.8
261.09015	6.8
262.06210	8.7
262.09683	1.9
263.06949	10.9
263.10583	1.7
264.07693	10.7
265.08505	7.3
266.09244	1.1
267.06586	1.0
267.10019	3.8
272.04590	4.1
273.05396	4.6
274.06174	5.6
275.06885	10.6
276.07773	15.0
277.08502	16.7
278.05988	1.6
278.09293	7.4
279.06494	4.2
279.10110	17.3
280.07208	1.6
281.08051	2.4
287.07031	8.6
288.07684	1.8
289.05219	2.0
289.08499	10.5
290.05923	1.5
290.09265	5.6
291.06744	2.7
291.10092	15.1
292.07321	7.4
293.08060	7.8
294.08829	4.5
295.09576	4.8
297.11301	2.3
303.06757	1.3
304.07135	8.1
305.07990	32.0
306.08701	7.8
307.09628	16.5
308.10324	1.6
309.07642	3.4
309.11166	5.8
319.09662	22.1
320.10291	2.0
321.07510	3.7
321.11124	9.2
322.08142	4.6
323.08936	3.6
324.09775	5.6
325.10474	2.1
327.12103	5.9
335.09311	1.4
336.09747	5.1
337.10651	34.8
339.12265	20.9
351.08029	1.8
351.12213	38.4
353.13751	9.3
357.13205	28.5
369.13257	31.5
371.14871	1.6
387.14224	19.2
445.20447	1.2
548.23621	5.6
549.24207	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	548.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
53.12221	0.4
55.01853	0.7
55.05500	7.3
56.78111	0.4
57.03217	0.4
57.03423	6.6
57.07047	1.0
59.04980	5.7
65.03920	0.8
67.05488	16.0
69.03069	0.6
69.03413	11.9
69.07056	4.0
71.01320	0.6
71.04974	4.1
75.04436	0.8
79.05470	9.6
81.06597	0.8
81.07033	16.0
83.04956	8.2
83.08613	4.4
85.02885	31.6
85.06521	15.7
87.04443	64.0
91.04896	0.5
91.05449	11.3
93.07019	14.5
95.04942	12.0
95.08578	13.7
97.02858	6.8
97.06525	1.2
99.04431	4.8
105.03364	15.9
105.07001	19.8
107.04919	0.6
107.08572	13.2
108.19497	0.5
109.10152	5.0
111.01508	0.4
111.04419	10.3
111.08053	0.8
113.05968	5.1
115.03896	6.4
115.07537	2.7
117.06985	7.4
119.08546	16.1
121.06488	3.4
121.10120	5.9
123.04397	10.1
123.08044	0.8
123.11664	1.1
125.05972	2.7
128.06148	0.7
129.05458	9.4
129.06915	3.5
130.07797	1.0
131.08530	12.8
133.04935	4.6
133.06483	1.0
133.10104	10.9
135.04375	0.5
135.08041	2.2
135.11626	4.7
141.06944	1.0
142.07791	1.0
143.07054	3.8
143.08522	8.9
144.09288	0.6
145.06447	0.7
145.10097	17.8
147.08076	2.1
147.11659	13.7
149.05957	0.9
149.09610	1.0
149.13252	2.5
153.05388	1.1
155.08539	5.0
157.10091	6.3
158.10645	0.6
159.07985	2.0
159.11656	18.9
161.09686	0.8
161.13200	3.7
163.07495	3.9
163.11203	1.0
165.06979	1.1
167.08482	1.1
168.09285	0.7
169.10025	4.1
171.08011	0.7
171.11627	2.5
173.09586	0.9
173.13248	6.8
175.07486	4.4
175.13341	1.1
175.14766	18.9
177.05504	0.5
177.09079	1.1
179.07021	2.4
179.08376	1.3
180.09290	0.6
181.10071	3.3
182.10912	0.7
183.11636	4.1
185.13191	2.4
187.07472	3.5
187.11211	0.8
187.14850	1.8
189.09090	2.0
191.06993	1.2
192.09256	0.6
193.10101	2.7
195.11639	4.5
197.13269	3.1
199.07425	0.6
199.14813	2.2
201.09065	0.6
201.12671	0.7
201.16331	28.8
205.10182	0.8
207.11720	2.2
209.09578	0.7
209.13197	2.1
211.07446	0.8
211.11174	0.9
211.14706	1.1
213.09077	2.4
213.12605	0.5
215.10664	1.2
215.14195	0.8
219.11729	0.9
219.17407	6.3
221.09555	0.8
221.13281	0.9
223.11258	0.5
223.14671	2.0
225.09015	3.7
227.10611	3.4
229.12152	0.7
229.15874	1.2
232.12665	0.6
233.13313	1.0
237.18439	0.8
239.10622	2.6
241.12221	2.8
243.13728	0.8
247.14824	0.6
249.16203	1.0
251.10570	1.1
253.12056	3.7
255.13780	2.0
265.12164	1.2
267.13583	0.8
271.13269	1.2
275.17944	1.1
279.13763	2.3
279.21021	1.0
289.19394	1.0
291.20941	1.1
293.15341	1.1
293.18875	0.9
307.16953	1.8
307.20435	2.4
311.20065	0.8
317.18851	1.9
325.21457	0.8
333.20575	1.1
335.19958	39.0
353.21008	18.9
369.20657	0.6
371.22073	100.0
387.21295	0.8
488.18152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01846	0.6
55.05506	5.4
56.55407	0.5
57.03415	2.6
59.04977	3.3
59.82439	0.5
64.34860	0.5
67.05492	11.9
68.71004	0.5
69.03422	4.4
69.07043	0.6
71.04964	2.3
78.42413	0.5
79.05474	7.1
81.07043	11.0
83.04971	8.5
83.08576	2.9
85.02887	17.1
85.06520	9.3
87.04449	47.8
91.05453	6.7
93.07029	9.7
95.04939	8.7
95.08587	9.5
97.02872	1.3
97.06501	0.5
99.04434	3.0
105.03364	13.4
105.06375	0.6
105.07017	16.1
107.04941	1.0
107.08573	9.3
109.06496	0.9
109.10126	3.7
111.04426	8.5
113.05984	2.3
115.03893	0.6
115.05313	0.5
115.07559	0.7
116.50668	0.5
117.06979	3.7
119.08556	10.5
121.06483	2.5
121.10130	4.4
123.04408	4.7
123.08051	0.6
129.05437	7.4
129.06989	2.4
131.08548	10.1
133.06487	0.9
133.10104	8.7
135.08017	1.3
135.11652	3.5
143.06970	1.0
143.08562	6.3
144.03575	0.7
145.10107	13.6
147.08020	2.3
147.11676	4.9
149.13216	0.8
151.03973	0.8
155.08511	3.0
157.10095	6.5
159.08044	1.3
159.11667	14.2
161.09576	0.8
161.13234	2.8
163.07477	2.4
167.08510	1.4
168.09241	1.2
169.10075	3.3
171.07994	1.3
171.11612	4.4
173.09590	2.7
173.13156	4.6
175.07538	4.9
175.14789	17.2
177.09056	1.0
177.12701	1.0
179.07011	2.8
179.08521	0.8
181.10095	3.3
183.11664	4.8
185.13206	3.5
187.07475	1.4
187.14784	4.2
189.09084	4.4
189.12694	0.8
191.14243	1.4
193.10027	1.0
195.11731	4.3
197.09547	1.0
197.13226	3.7
199.14774	2.3
201.09091	1.0
201.16389	6.5
207.11639	2.8
209.09619	1.0
209.13232	2.3
211.14813	3.0
213.09084	2.4
215.10686	1.0
215.14194	1.0
219.11728	1.1
219.17409	2.3
221.13249	2.5
223.11296	0.6
223.14854	1.3
225.09053	3.6
225.12770	0.6
227.10657	3.6
229.12286	0.8
229.15799	2.3
230.16675	3.0
231.17427	1.1
233.13231	1.2
235.14665	0.7
237.09015	1.0
237.16306	0.6
239.10706	1.0
241.12300	2.3
247.14732	0.8
249.16344	0.9
253.12189	5.0
255.13651	0.7
265.12097	2.8
265.19421	0.9
267.13818	0.9
271.13226	2.2
275.17847	1.2
279.13751	3.5
279.20895	1.3
279.80688	0.6
281.22781	0.7
285.15009	0.9
289.19547	3.3
291.20831	1.1
293.15341	2.4
293.18973	0.8
297.14670	1.0
307.17010	1.2
307.20343	8.2
311.19937	2.9
317.18671	0.8
325.21545	3.5
335.19986	51.7
353.21057	32.3
371.22083	100.0
563.24359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30451	0.4
55.01863	0.6
55.05498	1.0
57.03428	4.4
57.07064	5.9
59.04717	0.5
59.04989	10.0
60.63083	0.3
65.03919	1.8
67.05489	27.3
69.03410	21.6
69.07049	0.8
71.04971	18.9
73.06540	0.5
75.04455	0.5
79.05460	2.3
81.07024	2.2
81.19952	0.3
83.04954	3.9
85.06523	19.1
87.04449	7.0
91.05467	3.4
92.08868	1.0
93.07007	4.5
95.04939	41.7
95.08566	3.0
99.08075	0.6
101.05983	2.4
105.07011	5.8
107.08572	3.1
109.06523	0.6
109.10136	0.9
112.21056	0.3
113.05982	100.0
117.06969	4.0
119.04940	0.4
119.08569	4.0
121.10077	0.9
127.07517	0.5
129.06973	1.9
131.08539	6.5
133.06503	0.9
133.10133	1.6
135.08018	0.8
135.11700	0.9
142.07732	0.5
143.08540	2.8
144.09354	0.5
145.08574	16.3
145.10014	4.1
147.08014	0.9
147.11687	2.6
149.05937	0.8
151.07559	0.5
155.08572	0.6
157.10054	3.0
159.07970	0.8
159.11636	7.3
161.09612	0.8
161.13229	1.4
163.07463	0.5
163.14738	0.5
167.08517	0.6
169.10132	1.8
171.07915	0.5
171.11635	1.8
173.09445	0.4
173.13197	5.7
175.07513	1.9
179.07053	2.8
179.08475	0.4
181.10072	0.8
183.11621	0.8
185.09576	0.6
185.13194	0.6
189.05486	0.6
189.09090	1.4
193.10139	0.8
195.11638	0.7
203.06990	1.8
209.13251	0.7
213.09056	1.7
215.10548	0.4
221.13213	0.6
225.09151	0.4
227.10686	0.7
231.10069	2.4
235.14746	0.6
249.16306	0.6
281.15302	0.5
305.19086	0.6
323.20059	0.9
333.18393	2.5
351.19547	2.7
369.20560	1.6
387.21552	92.0
388.21906	2.5
549.98041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00553	0.3
54.81625	0.3
55.05483	0.5
57.03428	3.9
57.07064	5.9
59.04993	8.8
65.03918	1.5
66.74875	0.4
67.05492	30.8
69.03414	18.1
71.04975	18.3
73.06558	0.5
73.15189	0.4
79.05453	1.6
81.03388	0.4
81.07044	2.4
83.04958	2.4
83.08584	0.8
83.37988	0.3
84.45111	0.4
85.06530	20.2
87.04454	4.5
91.05482	3.0
93.07025	2.6
95.04945	38.0
95.08582	2.3
101.06013	0.9
101.90201	0.4
103.25480	0.3
105.06995	4.4
107.08568	4.3
107.63425	0.4
109.10130	3.0
113.05987	100.0
114.06339	0.7
117.06982	1.9
119.08572	2.2
121.10138	0.6
128.06187	0.4
129.07004	2.0
131.08537	2.6
133.06439	0.9
133.10117	0.8
135.11665	0.9
136.73683	0.4
141.06943	0.6
143.08565	2.2
145.08578	16.0
145.10059	2.2
147.11699	1.7
149.13222	1.7
154.07695	0.6
155.08536	2.3
157.10143	2.2
159.08005	0.5
159.11732	2.6
161.05974	0.8
161.13237	0.9
162.11229	0.7
167.08560	0.7
169.06479	0.8
169.10109	2.1
171.08046	0.4
171.11674	0.8
173.06117	0.5
177.05522	0.5
181.10124	1.9
183.11595	1.3
186.09387	0.4
189.05412	3.3
195.08064	1.7
195.11697	0.6
197.09619	2.1
199.14693	0.4
201.09131	0.4
209.09573	0.6
211.11226	0.5
213.09015	3.0
215.07089	0.9
215.10641	5.4
221.13055	0.6
223.11278	0.5
227.10670	1.9
227.14360	0.4
229.12253	2.0
241.08546	2.5
241.12218	2.6
243.10126	2.7
255.10164	0.7
255.13676	0.6
263.17972	0.5
267.13672	0.6
269.11545	1.3
277.19473	1.7
295.20566	0.4
305.18927	0.8
323.19980	12.0
341.21030	14.7
351.19507	4.6
369.20554	12.8
387.21585	35.0
388.21768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20903	0.8
55.05499	1.2
57.03423	14.0
57.07051	1.4
59.04979	4.6
67.05476	5.7
69.03415	39.4
69.07060	9.3
69.42993	0.8
71.04983	2.1
73.02891	1.0
75.04454	1.6
79.05457	1.5
81.03403	1.6
81.07027	4.6
83.04962	1.5
83.08591	2.0
85.02888	28.7
85.06512	3.9
87.04448	23.7
91.05438	5.9
92.09009	9.2
93.07019	7.0
95.04935	5.8
95.08557	6.4
97.02862	37.5
97.06479	1.7
105.07001	19.1
107.08588	5.1
109.02872	1.7
109.06473	2.0
109.10146	7.6
113.05985	8.0
115.03904	26.4
117.06988	5.1
119.08541	23.5
121.10094	1.7
127.03887	4.3
127.53829	1.1
130.07744	4.0
131.08502	8.3
133.04939	21.7
133.10106	4.8
135.11601	1.6
143.08488	4.6
145.04953	3.5
145.10101	100.0
146.10631	1.1
147.11658	3.9
149.05927	1.0
157.10085	4.9
159.11664	17.6
161.13190	1.8
163.11060	1.4
175.14746	1.4
177.12637	1.0
187.07570	1.1
201.16374	24.2
219.17384	15.8
224.38370	1.2
239.35052	1.0
259.08029	1.9
277.09094	1.4
295.10086	1.7
367.18695	1.1
387.21362	1.4
402.02747	1.1
446.67300	1.2
556.42114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
55.05499	5.5
57.03427	7.6
57.07073	4.5
59.04980	3.4
60.04498	0.6
61.68672	0.5
65.03920	0.6
67.00475	0.6
67.05138	0.9
67.05486	17.4
69.03415	21.8
69.07049	10.8
70.03752	0.6
71.04973	4.4
71.08601	2.4
73.02864	0.8
75.04462	0.7
76.50663	0.5
77.42556	0.7
79.05468	18.3
81.03397	1.2
81.07030	22.0
83.04978	1.1
83.08587	3.2
85.02889	16.4
85.06528	6.0
87.04453	11.6
89.06004	1.0
91.05459	26.4
92.08971	3.7
93.07021	24.6
95.04948	9.7
95.08578	20.8
97.02868	16.5
97.06516	1.3
99.08043	0.9
103.05452	1.0
105.07010	46.1
107.04919	1.0
107.08572	22.6
109.06471	1.1
109.10136	20.8
113.05988	16.2
115.03912	16.1
115.05442	0.8
117.06997	15.7
119.08556	17.0
121.06464	4.0
121.10109	12.3
123.04388	0.8
123.11676	3.2
127.03794	0.8
129.06952	3.4
130.07768	5.4
131.08533	34.9
133.04926	16.2
133.08575	0.7
133.10106	10.0
135.08025	9.2
135.11670	48.7
142.07712	1.0
143.08569	4.8
144.09286	3.2
145.04965	0.7
145.10101	100.0
147.07892	0.6
147.11723	2.3
149.09589	3.1
149.13210	4.1
150.07584	1.1
157.10101	3.1
159.11661	46.8
161.09473	0.6
161.13213	3.9
163.11122	7.5
173.13205	5.8
175.14761	1.4
177.12729	1.1
189.16328	2.5
191.14215	1.1
191.17902	17.6
198.31541	0.7
199.14894	1.0
201.16356	36.3
205.15930	1.0
219.17398	34.9
229.13576	0.7
259.07950	1.0
295.10129	3.0
333.20825	1.2
351.19238	1.4
369.20370	2.5
387.21432	4.9
390.84412	0.7
548.34613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78032	2.6
55.05499	26.5
57.03433	4.7
61.02907	14.3
67.05486	89.7
69.07033	13.8
74.09672	4.2
79.05466	40.3
79.08102	3.4
81.07029	90.5
83.08591	7.6
85.02876	16.6
91.03910	6.4
91.05455	28.5
93.07024	65.8
93.07565	5.8
95.08587	79.7
97.02885	5.7
105.07012	32.7
107.08569	46.3
109.10130	32.1
117.06966	5.9
119.08554	17.1
121.10140	38.4
123.11668	25.6
128.26843	3.8
131.08533	17.0
133.10062	16.8
135.11665	32.5
137.13281	5.2
145.10083	16.3
146.07440	4.2
147.11690	15.0
149.13252	18.9
159.11627	19.6
161.13243	5.7
162.05226	3.8
163.14798	7.0
173.13211	16.4
175.14789	4.4
187.14818	8.5
243.20988	25.6
261.22031	100.0
293.93030	3.6
335.25671	42.3
353.26886	46.8
382.86948	4.1
522.87830	4.0
531.45178	3.8
533.03790	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	547.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46551	0.5
53.03930	0.8
55.05498	1.2
57.03170	1.0
57.03428	17.8
65.03918	0.7
67.05484	0.6
69.03405	3.1
69.07038	1.1
70.06558	0.9
71.04965	1.3
73.02897	6.5
73.52568	0.5
75.04459	47.1
78.04689	3.3
79.05473	7.4
81.03410	0.7
81.07034	3.2
83.04967	1.4
85.02897	7.5
85.06503	0.9
87.04439	1.5
91.03851	0.5
91.05461	5.4
92.08704	1.6
92.09298	2.2
93.07027	3.6
95.04948	5.5
95.08586	0.9
97.02898	0.8
97.06536	0.7
103.05450	0.7
105.06999	4.0
106.04165	1.2
107.04930	15.9
107.08591	0.9
109.02856	0.7
109.06458	1.1
109.10133	1.3
111.04431	2.4
111.12505	0.6
115.03912	1.1
115.05438	2.8
116.06210	0.6
117.03329	0.6
117.07001	1.2
119.04913	2.4
119.08548	1.5
121.06466	2.7
121.10120	1.3
123.04398	12.9
124.05194	6.7
125.05954	3.1
128.06192	6.9
129.05360	0.7
129.07010	1.0
129.16722	0.6
131.08563	2.7
133.06471	0.8
133.10138	1.1
135.04317	0.8
137.05981	1.1
139.05426	0.6
141.06956	2.5
143.08514	5.4
144.05678	2.6
145.02846	2.5
145.06477	2.4
145.10094	2.2
147.04390	2.8
147.07997	0.6
149.05914	0.6
151.03877	2.3
152.04654	4.3
152.06235	0.9
152.46068	0.6
153.06944	0.8
155.04878	0.7
155.06993	4.2
156.05658	15.6
157.06406	4.5
157.10170	0.9
159.08022	4.0
161.05988	1.2
163.03889	3.8
166.06274	0.6
167.06996	100.0
169.06386	0.7
170.07216	6.7
171.08009	7.3
173.06009	2.3
175.07463	0.8
177.05444	1.4
179.06889	4.7
181.08624	5.2
184.05205	3.9
185.05939	1.4
187.07513	8.5
188.08237	0.8
190.07782	0.8
191.08656	0.6
193.08548	3.0
194.21060	0.6
198.06656	2.1
198.18451	0.7
199.07510	5.0
201.05566	0.6
202.06171	6.3
203.10587	1.5
205.08574	3.1
207.06418	0.9
215.06978	5.3
216.07822	2.2
217.08548	48.6
218.07321	1.3
219.08018	2.4
219.09944	0.8
231.08142	0.9
231.10103	24.4
233.09613	1.1
235.07462	0.9
235.16954	1.1
236.08203	0.7
246.06606	0.6
247.07439	2.4
247.09636	7.5
248.08304	1.2
249.09093	1.4
260.08389	0.9
261.09094	1.4
263.07031	1.0
263.10587	0.6
264.07755	2.6
265.08438	1.0
275.07104	1.2
276.07788	1.0
277.08481	1.3
278.09283	2.3
279.10126	0.7
291.06616	0.8
291.09915	1.3
293.08215	1.0
293.11584	1.0
299.08780	0.7
307.09546	2.5
321.11197	0.8
335.09036	2.1
339.12131	0.9
351.12247	0.9
353.09967	1.5
353.13837	1.3
368.12317	2.5
383.14777	10.1
385.16376	17.6
385.21042	0.8
401.16058	1.2
546.21729	1.0
546.97552	0.8
547.26721	2.6
547.34363	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	546.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.5
55.05499	19.7
55.08129	1.8
56.22544	1.6
57.03421	10.9
57.07068	2.9
59.55072	1.8
67.05138	3.8
67.05489	89.6
69.07052	19.1
71.01355	1.6
71.08604	2.1
73.41704	1.9
79.05470	59.5
81.07034	100.0
83.04967	2.3
83.08598	10.8
85.02899	3.6
91.05450	28.3
92.08707	4.8
93.07021	72.1
95.01287	7.8
95.04963	8.1
95.08586	98.6
97.10136	4.4
105.06994	25.1
107.08571	45.3
109.06496	2.4
109.10144	46.8
113.02358	2.3
117.07000	13.9
119.08562	21.9
121.10107	32.6
123.08072	3.4
123.11707	14.5
131.08517	26.9
133.10092	18.7
135.11682	24.8
136.35289	2.2
137.13248	4.0
141.01805	4.6
145.10094	18.7
147.11694	13.7
149.13240	19.2
159.11671	14.4
161.13194	11.3
163.14767	15.1
173.13275	14.3
175.14792	3.3
187.14824	4.1
243.21051	16.4
261.22070	52.7
276.34653	2.1
279.23083	2.4
279.31876	2.3
335.25659	20.4
353.26773	22.1
472.42130	2.3
489.49835	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	546.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.5
56.40586	3.5
57.03411	3.7
61.02905	11.3
62.90223	3.9
67.05489	73.9
69.03403	4.1
69.07070	14.0
74.09678	5.6
76.69609	4.0
79.05475	43.4
79.33923	4.4
81.07047	81.9
83.08583	5.4
85.02880	17.9
91.03882	4.6
91.05467	26.5
92.08828	22.8
93.07029	76.7
95.08578	59.6
105.06998	20.8
105.35998	4.5
107.08592	39.0
109.10149	42.5
117.06982	9.9
119.08566	21.5
121.10088	48.8
123.11699	5.3
131.08539	19.0
133.10088	21.6
135.11664	31.1
135.17897	4.8
137.13223	6.0
145.10075	9.4
149.13249	26.1
159.11630	19.4
161.13269	8.5
162.72569	5.2
163.14807	7.1
173.13185	21.7
187.14833	7.6
233.74460	5.4
243.21030	28.8
259.94620	4.8
261.22058	100.0
326.16650	5.2
335.25543	18.8
353.26831	62.4
446.65710	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	546.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.7
57.03430	30.7
59.74158	1.5
61.02912	1.8
63.53930	1.5
65.56086	1.5
67.05501	20.4
69.03413	8.5
69.07066	7.8
73.90289	1.6
77.68810	1.8
78.11433	2.0
79.05476	22.1
81.07031	22.4
83.04980	2.8
83.08614	2.8
85.06532	9.3
91.05473	34.1
93.07016	28.0
93.71098	1.8
95.04960	3.9
95.08590	16.3
97.06516	2.3
97.10136	2.2
99.04433	3.4
105.06997	21.7
107.04969	2.6
107.08561	16.9
109.06519	3.8
109.10134	9.3
113.06001	7.3
114.25252	2.0
117.07020	13.7
119.08562	22.7
121.06545	2.7
121.10139	9.6
129.06989	2.9
131.08545	18.8
133.10077	13.6
135.08099	2.8
135.11667	4.0
137.09621	3.3
143.08559	2.4
145.10114	10.7
147.11673	8.0
157.10098	3.8
159.11678	9.3
161.13222	1.8
173.13318	3.0
185.13193	3.5
201.16225	3.6
203.14317	1.9
219.17412	78.5
275.20029	12.2
349.23682	100.0
441.87332	2.0
511.28616	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.2
53.03943	3.4
55.01849	4.2
55.05507	45.7
56.60758	2.2
57.03433	21.0
57.07058	5.1
67.05144	3.6
67.05495	100.0
69.03425	4.5
69.07047	23.4
71.04983	6.6
71.08672	2.6
71.35993	2.3
79.05473	69.1
81.03397	79.0
81.07037	89.0
83.04965	6.3
83.08588	23.8
85.06522	4.4
91.05467	52.7
92.08639	3.2
93.07021	71.4
95.04941	39.2
95.08591	59.0
97.06503	3.6
97.10149	19.8
104.17626	3.3
105.06994	42.5
107.04939	6.1
107.08581	44.5
109.06506	5.6
109.10130	25.6
110.13918	3.1
111.08028	4.1
117.06994	12.4
119.08569	36.1
121.06477	14.5
121.10099	23.0
123.07990	3.5
123.11687	6.7
123.15431	3.0
125.09604	12.5
129.06979	15.8
131.08528	30.2
133.06520	2.6
133.10100	25.3
135.07993	3.6
135.11684	13.3
143.08595	5.7
145.10077	17.4
147.08080	4.3
147.11703	12.6
149.09599	6.3
149.13271	4.0
156.73491	3.6
157.10123	14.4
159.11667	14.9
161.13339	4.8
171.11667	3.5
173.13182	5.3
176.90874	3.0
187.14842	11.3
189.11200	3.7
193.12166	11.5
193.87671	3.3
227.12881	3.3
258.33078	3.1
261.21942	12.2
267.15759	33.0
299.23584	3.9
301.25046	12.0
335.25833	33.0
399.15311	3.1
420.76575	3.3
435.32275	5.2
527.37183	47.6
545.30292	4.2
545.38269	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.57067	0.5
55.01866	1.2
55.05494	0.6
57.03420	3.3
59.80420	0.5
61.02907	2.8
61.96568	0.5
67.05497	3.6
69.03405	6.7
69.07054	7.5
70.06614	0.7
71.04979	5.9
73.02893	1.1
76.62790	0.5
79.05467	4.5
81.03401	3.6
81.07037	13.7
83.04952	1.1
83.08624	0.9
85.02895	18.1
85.06530	100.0
86.03225	0.5
87.04472	0.7
91.03902	0.8
91.05461	5.6
91.52493	0.5
93.07023	8.1
93.37017	0.5
95.04954	2.4
95.08591	4.5
97.02879	6.6
97.06522	3.2
99.04449	0.8
99.08056	0.8
105.07014	8.7
107.08561	4.7
109.02866	2.6
109.06508	0.9
109.10168	1.2
111.08071	1.3
113.05991	39.9
115.07557	1.0
117.07008	1.3
119.08569	4.9
121.10143	2.2
122.06004	0.8
123.08074	1.3
127.03899	3.6
129.07010	1.3
131.07016	1.1
131.08543	6.2
133.10124	4.4
135.08009	1.2
137.06007	0.6
137.09601	1.0
141.06984	1.0
142.07780	0.8
143.08546	5.6
145.02875	0.7
145.04929	2.2
145.10109	11.5
147.04393	3.4
147.11670	2.6
149.09647	0.8
155.08583	5.8
156.09286	0.9
157.10106	9.2
159.11676	8.5
161.05992	2.6
161.13226	3.0
163.11166	1.0
169.10149	5.9
171.11688	6.0
173.09648	0.7
173.13223	2.6
175.11191	1.4
176.08253	5.1
177.05495	2.3
181.10109	2.4
182.10899	2.5
183.11636	6.1
185.13307	4.0
187.11119	1.3
193.04977	2.3
193.10181	0.6
193.12273	1.1
194.10892	0.6
195.11659	5.6
196.12379	0.8
197.13199	9.2
199.14702	4.2
201.12700	0.8
201.16331	10.1
207.06415	0.7
207.10056	4.0
207.11824	0.7
209.13249	3.9
211.14819	5.6
213.16322	5.5
215.14296	1.0
217.15849	1.0
219.17473	0.7
221.13251	0.7
223.14832	1.3
225.16357	1.3
227.14299	2.0
237.16298	5.6
241.15910	2.2
243.17329	0.7
249.16312	0.6
251.17955	1.3
253.19598	4.5
255.17416	6.1
269.18973	2.3
271.20590	2.2
273.18460	1.2
277.19464	3.0
289.94760	0.7
295.20410	6.4
313.21414	8.7
331.22653	16.5
332.22614	0.7
349.23676	64.4
493.27643	2.8
511.28818	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.9
53.03938	8.6
55.01854	3.0
55.05507	35.8
57.03429	20.1
57.07068	2.2
65.03930	4.3
66.12370	1.8
67.05494	94.9
69.03414	2.9
69.07046	18.1
71.04967	4.3
74.67307	1.9
79.05476	73.4
80.70450	2.3
81.03403	77.0
81.07043	79.3
83.04951	13.9
83.08593	25.1
85.02885	11.8
85.06513	3.2
89.39304	2.5
91.05460	64.8
93.07024	70.2
95.04949	29.7
95.08584	53.6
97.02901	2.3
97.06521	5.0
97.10147	13.0
105.07018	49.0
107.04963	4.8
107.08578	41.0
109.06504	11.6
109.09502	2.3
109.10128	21.0
111.08065	3.3
117.06999	11.7
119.08555	31.0
121.06482	4.9
121.10132	27.3
123.08013	2.9
123.11660	3.6
125.09586	5.4
129.06963	14.9
130.49965	2.4
131.08549	34.2
133.06485	2.8
133.10123	17.1
135.08034	2.4
135.11671	14.3
137.09563	2.2
142.07779	3.8
143.08519	8.8
145.10042	14.8
147.08015	3.2
147.11662	15.1
149.09593	4.1
149.13269	3.3
155.08540	2.4
157.10129	10.0
159.11667	11.3
161.13295	2.7
171.11502	2.7
173.13155	3.7
175.11143	5.3
175.14784	2.7
183.11613	3.6
193.12234	16.4
194.28233	2.1
201.16389	2.6
211.13298	14.7
213.16524	2.7
261.22113	4.2
267.15860	14.3
301.24997	3.3
335.25662	18.3
453.33347	3.1
471.34543	2.7
527.37067	22.0
545.30420	4.6
545.38281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
54.16702	2.7
55.01865	3.8
55.05501	32.9
57.03408	12.2
59.58736	2.6
62.68946	2.5
65.03911	4.1
66.17021	2.5
67.05490	71.8
69.03423	3.8
69.07043	17.6
71.04964	3.2
72.83440	3.1
74.09698	15.0
74.74459	3.0
79.05471	65.6
81.03403	53.3
81.07040	56.7
83.04955	13.2
83.08599	16.4
85.02876	18.9
85.11128	2.9
91.05453	51.7
93.07024	66.8
95.04959	22.6
95.08586	36.7
97.06508	4.9
97.10172	3.6
98.57868	2.8
105.07008	37.6
107.04913	4.1
107.08606	22.4
107.09190	3.3
109.10133	7.0
111.08047	5.4
117.06969	6.5
119.08555	25.8
121.10098	23.0
125.09547	4.2
129.06969	5.1
131.08533	20.1
133.10100	10.9
135.11684	7.0
137.31755	3.4
145.10062	12.0
147.07964	3.9
147.11655	12.3
149.09647	4.1
149.13251	4.3
155.08525	3.2
157.10124	11.2
173.13101	4.0
175.11081	6.7
190.50970	3.3
193.12154	17.1
211.13283	21.0
217.20183	3.2
246.03159	3.2
267.15820	5.9
335.25723	5.6
485.31570	3.6
504.09653	3.7
527.37067	12.3
545.38348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47178	0.7
51.23490	0.9
53.00304	1.2
53.03933	5.3
55.01856	4.0
55.05507	32.6
57.03425	13.6
57.07057	2.3
62.65509	0.7
62.86197	0.9
62.89710	0.8
64.33588	0.9
64.93547	0.8
65.03941	3.6
67.05489	56.6
68.02831	0.8
69.03400	2.2
69.07056	15.2
71.04967	5.5
79.05476	61.4
81.03396	43.0
81.07037	56.0
83.04959	9.2
83.08611	18.7
85.02892	24.1
91.05459	50.0
93.07018	56.5
95.04945	22.1
95.08577	30.2
97.06507	6.0
97.10140	5.6
100.11244	3.9
105.04498	0.9
105.07007	33.8
107.04928	4.4
107.08567	22.5
109.06495	6.4
109.10143	12.2
111.04418	1.9
111.08070	5.3
117.06999	10.2
117.57896	1.0
119.08554	26.4
121.06512	1.7
121.10126	23.2
123.08055	3.8
123.11694	1.7
125.09576	1.3
129.06946	10.1
131.08545	17.3
133.06467	3.9
133.10086	12.3
135.11673	7.2
136.49290	0.9
137.09593	1.6
142.07776	2.0
143.08542	1.9
145.10094	8.4
147.07999	1.4
147.11671	12.7
149.09589	4.2
149.13257	4.1
155.08560	1.1
157.10141	8.9
159.11685	6.1
161.13263	1.5
165.12694	1.5
171.11694	1.2
173.13246	3.6
175.11163	6.4
175.14917	1.3
193.12207	19.8
211.13246	17.8
211.15038	1.3
243.21048	1.0
261.22110	1.1
267.15872	7.2
335.25800	6.4
435.33145	1.0
453.33340	1.2
471.35367	1.0
471.79892	1.0
527.37158	9.8
530.81531	0.9
545.38245	100.0
546.38324	1.3
556.25330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81525	0.9
55.01857	1.5
55.05489	1.8
57.03431	19.8
57.07074	10.4
63.76607	0.7
65.03931	6.0
67.05491	81.6
69.03413	100.0
69.07038	1.2
69.08613	0.8
71.04610	1.2
71.04975	21.4
73.13235	0.8
78.86468	0.7
79.05470	2.1
81.07021	5.0
83.04951	12.2
83.08607	1.2
85.06519	9.0
91.05460	5.3
93.07027	7.0
95.04945	86.7
95.08583	2.0
105.07011	8.3
107.08597	7.6
109.10115	1.4
113.05985	99.2
114.40238	1.0
117.06981	1.9
119.08571	7.4
128.06171	1.1
129.06984	4.3
131.08533	7.0
133.10103	5.2
135.11671	3.5
143.08514	4.3
145.10107	5.9
147.07990	0.9
147.11667	5.0
149.13210	1.3
155.08549	1.9
157.10088	4.1
159.11653	6.2
161.13264	6.1
161.59705	0.8
167.08485	0.9
169.10040	2.1
171.11623	1.6
175.07512	4.2
181.10109	1.7
183.11673	4.2
187.14821	1.7
189.09032	1.5
195.11641	1.5
197.13223	1.1
199.14836	1.2
211.11130	1.1
211.14780	1.3
215.18016	1.3
227.10690	2.0
229.12198	4.8
241.12163	1.3
255.13809	1.4
277.19427	1.0
291.21005	1.7
309.22018	1.4
319.20517	3.9
337.21564	27.4
353.20941	1.1
355.22571	31.3
373.23642	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	545.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
53.03934	0.5
54.51695	0.7
55.01860	1.1
55.05496	3.3
57.03426	17.3
57.07063	9.6
58.17050	0.6
62.83828	0.7
64.16334	0.6
65.03932	6.5
67.05493	73.1
69.03416	66.3
69.07062	1.3
71.04602	1.3
71.04978	27.6
79.05478	4.0
81.07042	4.0
83.04967	12.0
83.08607	0.7
85.06535	9.1
87.31941	0.6
91.05455	6.2
91.75745	0.7
92.09293	3.6
93.07030	7.1
95.04949	70.8
95.08576	4.3
105.07007	7.0
107.08573	4.9
109.10166	3.3
113.00612	0.6
113.05991	100.0
117.07008	3.1
119.08548	5.4
121.06563	0.9
121.10130	1.1
129.06966	4.1
131.08556	6.0
133.10118	4.6
135.11673	3.4
137.71550	0.7
142.07780	1.1
142.22357	0.7
143.08563	3.9
145.10106	4.4
147.08028	0.7
147.11670	4.3
149.13225	1.1
155.08548	3.3
157.10144	3.4
159.11690	5.5
161.13222	6.2
169.10120	2.8
171.11644	1.4
173.13301	0.9
175.07539	2.7
175.14810	0.8
181.10098	1.7
183.11668	5.2
185.09575	0.8
195.11713	1.3
197.13213	0.8
209.13126	1.1
211.10968	0.9
217.12248	1.0
227.10672	1.7
229.12202	3.1
232.49895	0.7
235.14864	0.9
237.12518	0.7
241.12167	1.3
249.16376	1.2
253.19316	1.2
255.13661	1.1
263.14273	0.9
266.15875	0.9
277.19342	1.0
291.20966	1.2
309.22086	1.0
319.20612	1.2
337.21567	21.4
355.22647	27.7
373.23651	25.7
452.23938	0.9
558.79077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81849	0.5
55.01862	1.2
55.05503	1.2
55.92089	0.5
57.03423	1.0
59.04974	0.8
63.39285	0.5
65.03928	0.5
66.80813	0.6
67.05488	3.3
69.03413	7.0
69.07045	0.9
70.06579	0.7
71.04955	1.0
79.05464	3.2
81.03397	0.9
81.07031	10.8
83.04964	4.3
83.08584	0.6
85.02897	4.7
85.06532	3.4
87.04447	0.9
91.05453	4.8
93.07030	6.7
95.04951	10.5
95.08565	4.4
97.02882	3.4
97.06512	2.3
99.04405	0.6
105.07011	7.4
107.04937	1.2
107.08568	14.3
109.06523	2.5
109.10121	1.2
111.08059	6.0
113.05989	3.4
114.01876	0.5
114.37395	0.6
115.03893	0.6
116.98624	0.8
119.04933	1.2
119.08566	4.7
121.06483	3.3
121.10098	4.6
123.08045	1.3
125.09639	2.8
126.12875	0.6
127.03875	0.9
127.07527	1.1
131.08528	5.9
133.06482	1.3
133.10098	3.5
135.04402	0.6
135.08031	2.8
137.02321	0.9
137.05945	3.9
137.09587	3.5
143.08537	4.0
145.02841	2.3
145.10091	6.6
146.05968	0.8
147.04391	4.5
147.08099	1.1
148.04665	0.8
149.09608	3.9
153.09093	6.4
155.08531	1.0
157.10065	2.8
159.08105	0.9
159.11670	1.4
161.09587	0.7
161.13248	0.9
163.03835	0.5
169.10036	1.0
171.11697	3.3
173.13231	3.4
174.05452	0.7
175.11118	0.7
177.05460	3.3
181.04854	1.2
183.11707	1.0
187.11137	0.8
187.14897	0.8
189.12695	0.9
197.13133	0.6
201.13116	0.6
209.13232	0.6
215.14299	1.4
221.08073	2.4
233.15285	10.9
233.17168	0.7
271.09671	3.5
275.07465	0.7
311.20084	2.5
315.13269	0.6
329.20877	0.9
335.09488	5.5
347.22076	1.1
365.23276	1.3
383.24261	3.9
515.24518	75.2
544.24323	4.2
545.25531	100.0
546.26141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15048	0.7
51.46414	0.6
53.03919	0.9
54.43104	0.7
55.01863	1.6
57.03418	3.8
57.07047	1.1
61.02904	1.0
63.54516	0.8
67.05482	4.0
69.03408	8.7
69.07035	1.3
70.60272	0.7
71.04953	1.4
77.70215	0.7
79.05468	5.0
81.03391	4.4
81.07019	4.0
83.08592	0.8
85.02872	12.0
87.04453	1.6
91.05457	4.0
93.07034	1.6
94.04163	3.6
95.04933	1.3
95.08572	1.4
97.02869	5.1
97.06461	0.9
100.11212	1.6
103.05445	3.4
105.07005	16.0
107.04964	1.0
109.02882	1.0
109.06512	3.8
109.10162	6.3
115.03908	1.0
115.05444	5.0
115.11181	1.0
119.08563	2.0
121.10100	1.4
122.03608	9.6
127.03847	1.6
127.11154	1.9
128.06210	3.1
131.04941	1.8
133.06477	9.8
133.10127	1.0
137.05946	80.8
137.09572	1.1
141.07059	1.0
143.08565	1.3
146.03577	6.1
147.04393	1.4
149.05937	1.6
157.10043	3.8
159.11633	1.0
161.05939	52.0
165.09186	1.2
167.07005	1.2
168.05652	1.0
171.07967	1.5
175.07527	1.4
184.05182	5.2
187.07558	1.8
189.07066	1.2
189.08914	1.1
190.07632	1.0
191.08554	4.5
191.28665	0.8
192.09349	1.6
199.07477	20.7
199.14758	1.0
202.07703	19.4
203.08519	32.7
204.09216	1.7
205.06403	1.3
215.08603	1.6
215.14377	1.1
219.08034	8.8
220.08795	10.9
230.07256	3.3
231.07976	46.7
232.08757	11.0
233.09554	1.5
233.15294	1.0
235.11116	1.3
243.07944	1.4
245.09369	1.2
247.07484	8.4
248.08226	25.4
249.09056	2.0
258.06671	2.0
259.07452	34.6
260.08249	24.7
261.08929	3.4
262.09747	1.9
263.10602	23.0
273.09119	1.0
275.06876	5.3
276.05057	1.3
276.07751	20.1
277.08487	6.7
280.10760	1.4
290.73965	0.8
291.10074	100.0
292.10806	7.8
293.08102	3.7
295.10074	0.9
295.13083	1.7
308.10245	3.5
311.20218	1.1
323.12689	52.0
365.26553	1.9
545.25189	12.7
545.32727	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	544.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93022	1.3
53.03933	2.0
55.01857	3.9
55.05496	3.7
57.03422	7.7
61.02903	3.3
65.42769	1.4
67.05494	15.6
69.03418	28.6
69.07045	8.6
71.04971	11.3
72.08135	9.7
79.05480	14.0
81.03405	12.9
81.07038	28.6
83.04953	11.2
85.02888	45.3
85.06534	18.3
86.09681	11.3
87.04442	7.6
91.05453	12.9
92.08642	3.2
93.07009	18.4
95.04949	13.6
95.08584	18.3
95.75533	1.7
97.02866	19.8
97.06493	6.7
99.04440	2.1
105.07021	32.5
107.04967	2.1
107.08569	17.9
109.02855	13.0
109.06506	8.8
109.10156	21.5
110.10454	6.0
111.04459	2.8
111.08079	9.5
113.06004	13.9
115.03890	2.8
115.05485	1.7
117.07010	11.6
119.08559	16.6
121.06470	2.8
121.10127	6.6
123.04356	2.2
123.08035	10.8
127.03888	11.2
127.07508	3.4
128.06158	2.1
129.05467	3.4
129.06973	6.6
131.08568	23.5
133.10069	9.3
135.08054	2.4
135.11610	2.3
137.09587	38.8
138.09911	14.0
139.10265	3.4
141.06978	2.8
142.07777	6.9
143.08562	24.5
144.09230	2.1
145.02797	6.2
145.05038	3.3
145.10115	27.9
147.04350	2.5
147.08000	2.3
147.11661	3.2
149.09570	2.1
152.07094	2.2
153.09050	2.2
155.08519	23.2
155.10646	2.2
157.10103	57.5
159.11681	35.4
161.09599	3.5
161.13223	1.8
165.06859	3.1
165.09064	30.0
166.09453	11.2
167.07185	2.4
167.08461	2.6
167.09630	2.6
168.09302	3.5
169.10092	11.9
171.11673	13.5
173.09610	6.2
173.13297	3.0
175.11163	7.9
177.05431	8.0
181.10107	7.7
182.10901	4.0
183.11664	42.5
184.12503	1.9
185.09560	1.9
185.13220	4.0
191.10628	8.6
193.08580	1.9
193.10205	2.6
195.11658	15.6
197.13194	17.3
199.11125	2.3
199.14774	23.4
201.12730	2.2
201.16350	16.6
208.12427	2.5
209.13228	10.0
211.11035	1.9
211.14754	11.2
213.12596	2.0
213.16289	3.3
214.12241	3.7
215.14314	2.1
217.15831	3.0
219.11649	2.2
221.13181	3.6
222.13913	2.4
223.14862	16.8
225.16475	3.7
227.14270	2.4
233.13422	2.2
235.14816	9.5
237.16394	3.6
241.15849	2.0
249.16248	6.8
251.17946	12.0
253.15906	4.1
265.09674	8.0
265.16052	2.1
265.19284	1.9
269.19012	9.0
271.16785	2.8
275.17929	7.0
293.09198	2.0
293.19025	21.0
309.13318	8.9
310.13617	8.4
311.13806	10.8
311.19980	100.0
329.21060	48.0
339.09753	6.8
347.16235	2.4
347.21954	16.4
371.12030	5.9
412.21011	1.9
449.82712	1.8
451.53485	2.0
480.17459	2.7
489.25644	1.8
491.25797	2.1
509.27921	2.3
544.24261	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
53.50128	0.9
55.01860	2.8
55.05495	7.0
57.03418	5.0
59.04951	1.3
59.82831	1.0
60.54040	0.9
61.02908	2.7
67.05492	16.2
68.05812	1.1
69.03413	23.4
69.07042	2.8
70.06567	1.7
71.04979	12.1
72.08124	8.6
73.02877	1.4
79.05466	12.4
81.03399	9.4
81.07037	30.9
81.63978	1.1
83.04968	8.5
83.08620	1.9
85.02885	38.4
85.06525	28.1
86.03201	1.3
86.09705	10.4
87.04464	4.5
91.05441	11.3
93.07018	14.8
95.04927	7.8
95.08587	21.9
97.02882	13.4
97.06500	7.6
99.04425	2.9
99.08055	2.0
101.05984	1.5
105.07009	31.8
107.04910	2.2
107.08561	20.2
109.02852	6.8
109.06512	5.6
109.10140	15.2
110.10442	2.6
111.04417	2.6
111.08066	7.7
113.05988	15.1
117.03294	1.1
117.06990	13.8
119.08558	17.4
121.06476	2.2
121.10128	7.8
123.04328	1.3
123.08026	14.3
123.11648	1.3
125.09650	1.5
127.03860	8.6
127.07571	2.6
128.06229	1.9
129.05446	2.8
129.06950	10.2
131.08521	26.9
133.06477	1.8
133.10117	11.7
134.06012	1.4
135.08031	2.7
135.11758	1.3
137.05934	2.5
137.09592	20.7
138.05411	1.5
138.09962	7.3
139.07568	1.9
139.10201	2.3
141.06992	5.6
142.07756	10.0
143.08527	29.1
144.09328	4.5
145.04970	2.7
145.10104	22.3
147.04376	2.1
147.08081	2.3
147.11638	8.4
149.05951	1.3
149.09616	5.0
151.03905	1.4
153.06990	1.3
153.09027	2.1
154.07672	1.2
155.08530	25.9
156.09338	1.3
157.10094	59.5
159.08038	4.5
159.11671	48.4
161.09583	4.7
161.13213	2.7
163.11128	1.7
165.09079	13.9
166.07721	1.2
166.09377	5.2
167.08488	6.3
168.09314	6.9
169.10098	13.1
171.11679	12.2
173.09552	7.0
173.13242	4.9
175.11182	10.8
177.05444	5.4
177.12688	2.3
179.08563	2.1
181.04922	2.6
181.10078	10.4
182.10846	2.5
183.10008	2.3
183.11642	54.6
184.12462	1.7
185.13187	7.6
187.11096	2.3
189.12700	4.5
191.10588	2.1
191.14194	1.1
192.09241	1.8
193.10091	5.6
194.10898	1.8
195.11629	18.9
196.12418	1.3
197.13239	17.6
199.14792	35.2
199.16516	2.2
201.12741	2.1
201.16341	10.2
207.11639	2.0
208.12555	1.7
209.13240	13.7
211.11140	1.8
211.14771	13.2
213.12743	2.7
213.16267	2.3
215.14464	1.5
215.16496	1.2
217.15930	2.2
219.17255	1.5
220.12453	1.3
221.13200	2.1
223.14801	11.6
225.16371	6.4
227.14250	2.1
233.13292	4.6
235.14815	7.9
237.10136	5.6
237.12541	2.2
237.16380	1.5
241.15770	4.5
249.16348	4.5
250.16991	1.5
251.14247	2.4
251.17865	13.5
253.15773	6.4
265.09698	4.5
265.19562	2.5
267.17517	1.3
269.15955	2.1
269.18948	15.9
271.16983	2.1
275.17819	7.0
287.19937	5.2
293.09106	4.8
293.18927	23.3
295.10699	2.5
309.13144	2.7
310.13708	2.4
311.10220	2.4
311.14154	3.1
311.19965	100.0
329.17462	3.6
329.21002	51.1
339.09805	2.3
347.18298	1.9
347.22064	19.6
365.23071	4.5
371.12357	5.8
480.17636	2.1
491.26425	2.3
509.27161	2.6
544.24774	12.7
545.20154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
55.05500	10.2
57.03164	1.0
57.03427	12.5
57.07064	16.4
59.04989	100.0
61.02897	0.8
67.05473	1.5
69.03416	41.5
69.07055	55.4
71.04982	1.3
71.08617	9.9
73.02891	1.0
73.06540	15.3
75.04468	1.1
77.06032	4.9
79.05462	0.9
81.03384	1.4
81.07034	4.5
83.08626	2.0
85.02887	32.2
85.10167	4.8
87.04450	39.0
91.05485	1.6
92.09350	2.1
93.07011	1.0
95.08592	4.0
97.02875	25.5
97.10112	1.6
105.05486	27.8
105.06218	1.0
105.07024	5.1
107.08559	1.2
109.02863	1.9
109.06474	1.0
109.10141	5.7
111.11702	56.9
115.03921	17.2
117.05444	0.9
119.08613	1.8
123.06544	1.0
123.11675	1.5
127.03889	3.7
127.11176	3.7
129.12732	97.6
133.04938	11.8
133.10124	1.8
133.38335	0.7
137.06055	0.7
143.08562	1.6
145.02795	0.8
145.04904	1.5
145.10144	1.9
157.10150	1.9
159.11575	1.1
163.03906	1.0
167.07072	0.9
171.11623	1.0
173.06036	1.3
197.13275	1.9
215.10750	2.9
215.14391	1.2
215.16389	11.1
215.20020	1.4
233.11755	1.5
233.17445	14.6
255.17491	1.1
347.21988	1.0
352.23199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.7
54.82015	0.9
55.05506	13.5
57.03199	1.1
57.03430	14.5
57.07065	16.6
59.04992	100.0
59.38984	1.0
61.02913	1.6
62.96993	1.0
66.66631	0.9
67.05489	2.1
69.03414	48.7
69.07053	64.2
71.04983	2.3
71.08294	1.1
71.08619	13.6
73.06537	20.0
74.36796	0.9
75.04478	1.3
77.06024	4.3
78.32887	0.9
79.05454	1.0
81.03414	4.1
81.07045	2.6
83.04967	2.4
83.08618	1.8
83.45507	1.0
85.02892	35.1
85.10191	5.1
87.03931	2.1
87.04455	49.6
93.07015	4.1
95.08565	1.5
97.02868	31.7
97.10123	1.3
99.04454	1.4
105.05492	28.7
105.07014	1.7
107.08601	2.0
109.02855	1.8
109.10134	11.0
111.11703	70.9
115.03910	20.4
119.08598	1.5
127.03902	6.6
127.11143	14.8
129.12732	96.4
131.08516	1.2
133.04945	18.1
133.06488	1.3
135.08009	1.6
145.04926	2.5
145.10121	1.6
147.04355	1.2
159.11604	1.1
167.06963	1.2
175.07478	1.8
176.07912	1.6
177.05473	1.7
215.14418	2.3
215.16399	20.9
233.17427	18.2
245.10056	1.4
270.80627	1.2
358.64908	1.1
396.72324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25362	5.6
54.39116	4.9
54.82052	7.5
55.05503	33.5
55.92126	5.7
67.05492	43.0
69.07059	11.6
76.43731	6.6
79.05470	38.8
81.07035	28.2
83.08617	12.1
91.05450	43.7
93.07032	44.0
95.04909	7.4
95.08578	13.2
97.06534	9.4
97.10157	10.2
105.07015	29.3
107.08550	14.9
109.10141	11.5
117.06971	8.3
118.27271	7.1
119.08572	13.3
125.09525	8.3
129.06979	8.4
131.08510	11.7
143.08528	7.6
157.10173	8.7
159.11720	11.3
171.04279	8.0
187.52257	7.3
209.13200	7.6
219.61499	7.4
254.29446	7.3
485.97971	8.0
525.35229	13.5
543.36731	100.0
551.69971	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	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25362	5.6
54.39116	4.9
54.82052	7.5
55.05503	33.5
55.92126	5.7
67.05492	43.0
69.07059	11.6
76.43731	6.6
79.05470	38.8
81.07035	28.2
83.08617	12.1
91.05450	43.7
93.07032	44.0
95.04909	7.4
95.08578	13.2
97.06534	9.4
97.10157	10.2
105.07015	29.3
107.08550	14.9
109.10141	11.5
117.06971	8.3
118.27271	7.1
119.08572	13.3
125.09525	8.3
129.06979	8.4
131.08510	11.7
143.08528	7.6
157.10173	8.7
159.11720	11.3
171.04279	8.0
187.52257	7.3
209.13200	7.6
219.61499	7.4
254.29446	7.3
485.97971	8.0
525.35229	13.5
543.36731	100.0
551.69971	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	544.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01862	0.6
55.05504	0.3
57.03411	1.6
59.04980	0.3
61.02901	0.2
65.03911	1.3
67.05472	0.6
69.03412	5.3
69.07054	0.6
70.06558	0.4
71.01348	0.3
71.04971	1.4
73.02905	0.5
79.05462	1.5
81.03393	9.5
81.07034	0.4
83.04948	0.3
85.02882	5.1
85.06557	0.4
86.03748	0.2
86.09698	0.3
87.04446	0.3
89.03907	0.3
91.05434	2.0
92.09050	0.6
93.07001	2.0
95.04941	7.7
95.08580	1.1
97.02864	6.7
97.06509	1.2
99.04431	1.5
101.05975	0.4
103.05433	1.4
105.07003	0.7
107.04937	1.0
107.08549	1.7
108.04469	1.0
109.02847	3.7
111.04438	1.9
111.07973	0.3
115.07547	1.4
117.03330	0.4
119.04893	0.6
119.08551	0.3
121.02836	100.0
121.06466	3.7
121.10103	0.3
123.04398	1.0
124.05231	0.3
127.03883	2.6
131.04921	2.4
131.05783	0.2
131.07022	0.3
131.08546	0.4
133.02820	0.5
134.03563	0.5
135.07993	0.3
137.05939	3.4
139.03867	14.9
139.04906	0.5
140.04625	0.6
141.05464	0.3
145.02866	0.4
145.04936	0.6
147.04407	1.1
148.05145	0.5
149.05939	5.7
149.09642	0.3
151.03850	1.3
151.07516	0.3
155.07047	1.0
159.04379	1.1
163.03899	0.6
165.05449	0.4
167.06992	31.5
167.10628	0.6
176.04614	0.4
176.87463	0.3
177.05423	10.2
180.07913	0.3
181.08582	0.9
189.07576	0.2
197.11687	1.2
197.15343	0.3
197.39635	0.3
209.08043	4.8
215.12773	1.1
217.12447	0.3
227.09085	9.3
265.07001	8.4
266.11377	0.3
283.08044	9.3
311.14996	0.3
314.64417	0.3
474.51071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08808	0.2
54.82005	0.3
55.05504	0.3
57.03424	1.3
62.78592	0.3
67.05492	1.4
69.03406	1.8
69.07044	0.5
71.04981	0.4
71.49388	0.3
79.05486	0.7
81.03422	0.6
81.07049	1.6
83.08611	0.5
85.02893	2.8
85.06529	3.4
87.04470	0.6
90.72498	0.3
91.05444	1.2
93.07039	1.9
94.07372	0.4
95.04929	0.5
95.08592	2.0
97.02880	1.6
97.06519	0.8
97.58402	0.3
105.07038	0.6
107.08565	1.5
109.02870	0.4
109.06485	1.3
109.10140	2.4
110.10493	0.4
115.03913	0.5
119.08588	0.7
121.10117	2.6
131.08556	0.5
133.10078	0.6
135.11722	0.4
137.09628	4.3
138.09985	1.3
139.11211	0.4
143.08549	0.4
145.02876	1.3
146.99602	0.4
147.11635	0.4
147.18295	0.3
150.18057	0.3
159.11584	0.4
165.09132	2.1
166.09341	0.4
167.06993	0.4
177.05472	1.6
195.13712	0.4
201.11151	0.5
213.14853	1.3
220.10478	0.4
231.15881	1.5
303.37979	0.3
309.13168	0.4
333.07962	1.9
335.09399	1.4
405.13504	3.0
411.19882	1.7
453.20911	0.4
543.24005	100.0
544.24341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23726	0.4
60.20575	0.5
69.77464	0.4
72.23162	0.5
78.52045	0.5
84.80602	0.5
85.51152	0.5
90.84038	0.5
95.25604	0.5
96.04498	0.5
124.25425	0.5
176.07985	0.5
240.86205	0.6
251.21158	0.5
381.07846	10.1
543.13110	100.0
544.13751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40056	0.2
52.74022	0.1
53.03957	0.2
55.05504	0.3
57.03420	0.3
65.03934	0.2
66.43494	0.2
67.05497	1.0
69.03422	1.4
69.07053	0.5
70.35041	0.2
71.04989	1.0
76.21616	0.2
79.05505	0.3
81.03412	1.2
81.07051	1.9
83.04980	0.3
83.08607	0.3
85.02906	1.8
85.19228	0.2
87.04460	0.8
89.96974	0.2
91.05460	0.2
91.17905	0.2
92.09011	0.8
93.07040	1.4
95.04970	0.4
95.08596	1.3
96.08916	0.2
97.02879	1.6
97.06510	0.4
105.07031	0.4
107.08589	1.1
109.02867	0.5
109.06486	0.3
109.10146	2.6
110.10487	0.3
111.08076	0.2
115.03952	0.3
119.08572	1.0
121.10140	1.1
127.03933	0.5
129.53873	0.2
131.56412	0.2
133.10123	0.3
134.10542	0.2
135.08028	0.3
135.11705	0.2
137.06050	0.3
137.09616	3.4
138.09964	1.0
138.92111	0.2
151.03859	0.4
155.10626	0.3
159.11691	0.2
165.09100	2.1
166.09406	0.4
177.16414	0.2
185.66371	0.2
195.13945	0.3
195.17462	0.3
213.14902	0.8
213.18510	1.0
231.15848	0.3
231.19638	0.2
309.13297	0.3
317.08557	0.4
327.14624	0.3
328.14886	0.3
335.09616	1.5
411.19778	4.1
493.29681	0.2
512.18030	0.2
543.24030	100.0
544.24518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.3
55.05500	4.7
57.07070	52.1
61.10325	0.8
69.07050	3.7
70.06569	1.3
70.84209	0.9
71.08616	32.6
73.06547	7.4
83.08615	2.1
85.09699	1.5
85.10172	21.0
87.04449	5.1
89.06017	100.0
97.10160	2.3
99.11729	1.9
107.07054	4.9
108.49976	1.1
109.86189	1.0
111.11696	1.0
117.09130	1.2
133.08597	30.6
139.49831	0.9
155.17946	2.0
177.11174	14.6
199.20584	1.6
221.13805	3.9
239.14824	1.3
243.23094	9.0
287.25793	4.8
306.72385	1.1
371.22635	6.0
481.37180	1.0
492.11542	1.0
525.39978	20.1
542.42303	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	542.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88081	0.4
55.01855	2.2
55.05500	11.7
57.03424	7.3
57.07068	3.7
59.04989	3.3
67.05492	4.1
69.03413	22.7
69.07051	33.7
71.04969	5.4
71.08614	0.6
73.02898	0.5
73.06545	0.5
75.04456	0.6
78.64722	0.6
79.05461	2.9
81.03369	2.0
81.07034	18.1
83.04955	4.8
83.08601	9.1
85.02886	21.8
85.06523	18.8
87.04452	13.5
92.09354	0.9
93.07018	11.3
95.04951	1.1
95.08579	29.9
97.02869	21.9
97.06519	4.2
97.10149	10.2
99.04397	2.0
99.08068	18.5
100.08427	0.8
103.03928	0.6
105.06974	0.8
107.08575	19.8
109.02859	0.5
109.06420	0.7
109.10133	14.8
111.08063	3.1
111.11690	6.0
111.74876	0.4
113.09619	7.4
115.03906	9.4
116.04356	0.5
119.08562	0.9
121.10123	31.1
123.08058	0.9
123.11668	7.1
125.09612	5.6
127.03898	3.5
127.11140	2.1
133.04930	7.6
133.10052	1.9
135.11668	19.6
137.09560	1.0
137.13223	17.8
137.14227	1.0
139.11160	7.8
145.04926	2.1
149.13220	3.1
151.14763	3.2
153.12704	7.5
155.10583	0.6
177.05444	0.6
177.16341	61.8
181.04942	0.9
193.15845	1.1
194.16161	0.8
195.15691	0.8
195.17415	19.4
211.16856	4.0
212.17267	2.3
213.18456	100.0
236.85194	0.5
341.21121	0.6
345.22531	5.5
375.23639	16.2
507.27640	3.0
542.20416	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	542.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77469	2.7
55.05503	29.9
57.03421	12.7
57.07055	3.0
58.71031	2.8
67.05493	60.2
69.07057	33.6
70.06580	3.5
71.07344	15.2
71.60702	3.1
73.50997	3.0
79.05463	14.1
81.07029	49.1
83.04939	3.6
83.08607	20.9
86.09685	66.6
89.59885	3.5
91.05451	6.8
91.47437	3.1
93.07004	13.3
95.08575	39.9
97.10128	6.4
104.10702	4.2
105.07012	4.8
107.08564	7.4
109.10143	21.2
119.08541	13.2
121.10090	5.1
123.11647	3.6
133.10033	3.8
135.26117	3.1
146.44971	3.4
146.98146	85.1
149.05945	6.7
161.48000	3.4
179.14241	5.6
228.23169	5.0
275.57187	3.4
305.02319	3.9
305.05988	3.5
337.27203	19.4
341.09814	5.6
359.25607	4.7
368.67096	3.4
483.24652	100.0
501.29263	6.9
542.31970	95.7
561.67273	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	542.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.8
55.01856	1.7
55.05508	8.1
57.03425	9.7
57.07058	4.5
59.04986	3.8
59.67297	0.7
61.02932	1.4
67.05492	20.2
69.03414	29.3
69.07051	16.8
69.71725	0.8
71.04607	1.3
71.04977	27.9
73.02895	1.7
75.04453	1.6
76.99353	0.9
79.05460	6.4
81.03397	4.8
81.07040	31.8
83.04965	1.6
83.08606	7.5
85.02892	25.5
85.06519	7.1
85.10152	1.1
87.04456	14.0
91.05463	3.3
93.07020	16.2
95.04933	1.8
95.08588	24.9
97.02874	20.3
97.06496	1.2
97.10149	1.8
99.04449	1.2
99.08066	16.2
105.07012	5.0
107.04964	1.1
107.08582	22.0
109.02866	3.0
109.06515	1.0
109.10143	66.0
111.08067	7.8
111.11665	1.9
113.09630	1.4
115.03908	11.1
115.87600	0.8
119.04965	0.8
119.08557	4.0
121.06498	1.3
121.10126	29.2
123.04441	1.3
123.08042	2.0
123.11700	11.1
125.09621	4.6
125.13226	1.3
127.03891	5.0
127.11170	4.1
131.08539	1.2
133.04910	8.1
133.06471	1.2
133.10132	1.6
135.11664	15.5
137.05930	1.9
137.09634	9.1
137.13235	8.0
137.53139	0.8
139.11142	3.2
143.08568	1.1
145.02834	0.8
145.04942	1.0
145.10023	1.0
147.04375	1.4
147.08044	1.8
147.11624	1.1
149.13254	5.1
153.12692	10.6
155.10677	1.6
157.10097	1.4
159.11646	0.9
161.06003	4.0
161.09688	0.9
162.06328	3.2
163.03900	1.0
165.09062	7.9
165.12746	1.2
171.11589	1.0
173.09630	0.8
175.11191	1.4
175.14793	0.9
176.08270	13.8
177.05487	1.6
177.08633	11.9
177.16344	37.2
178.03322	1.0
183.13751	0.9
195.13774	3.7
195.17424	49.2
201.11186	1.8
207.10147	5.4
208.10506	4.2
213.15022	3.4
213.18463	100.0
231.15858	4.9
231.19453	15.6
248.12857	1.9
309.13333	1.6
333.07901	1.0
334.08054	0.9
345.20654	1.8
541.22363	1.9
542.23389	34.4
543.23859	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	542.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01863	6.8
55.05500	12.9
56.76143	1.3
57.03427	17.8
58.99575	1.7
61.02904	6.5
63.78832	1.3
65.03921	1.5
67.05493	37.3
69.03413	38.5
69.07045	14.0
70.03723	1.6
70.06561	2.6
71.04974	13.4
74.00630	2.5
75.60941	1.4
76.02189	2.8
77.11878	1.5
79.05476	31.4
81.03401	13.6
81.07034	52.9
83.04951	14.9
83.08607	7.0
85.02888	45.2
85.03389	1.5
85.06527	49.0
87.04477	13.6
88.03983	2.4
91.05456	25.1
93.07021	48.4
93.07556	2.4
94.06494	1.6
95.04927	12.3
95.08581	46.7
97.01100	2.2
97.02871	25.8
97.06519	21.3
97.10149	1.8
99.04432	7.9
99.08081	3.7
101.06010	6.6
105.07024	31.4
107.08587	35.1
109.02888	10.2
109.06523	13.7
109.10138	46.8
111.02618	1.7
111.04446	6.3
111.08102	6.5
115.03925	6.7
117.05440	12.9
117.06989	6.5
119.08566	29.0
120.01150	1.5
121.06464	12.2
121.10124	44.7
122.02697	2.7
123.08047	17.4
123.11673	2.0
124.05180	1.9
124.07522	2.4
125.05982	2.4
125.09627	2.4
127.03918	13.7
128.06216	1.9
129.05444	1.8
129.06967	6.0
129.09097	2.0
131.08514	18.9
133.04970	2.5
133.06514	3.2
133.10088	17.0
135.08035	6.9
135.11658	15.7
137.05977	3.3
137.09592	68.9
139.11142	14.8
142.00352	1.5
143.08543	21.6
145.04967	3.3
145.10112	24.9
147.08017	10.8
147.11705	8.9
149.09581	3.4
149.13232	12.2
151.07544	2.1
152.07060	7.2
155.08569	3.4
155.10651	8.9
157.10136	6.3
157.12225	10.4
159.08051	2.9
159.11671	9.7
161.09576	3.8
161.13232	1.9
163.11064	2.8
165.09061	34.5
167.07124	4.3
167.08424	1.6
167.14258	2.8
169.10107	7.0
171.11671	6.6
173.09656	6.2
173.13321	2.0
175.11130	5.7
177.12729	10.7
181.10170	2.6
183.10236	2.8
183.11707	8.5
185.09587	7.2
187.11247	3.5
189.09103	7.3
195.11906	2.8
195.13794	14.6
199.11208	2.1
201.11191	19.0
203.10678	3.6
207.11728	2.2
209.09816	1.8
209.13181	7.3
211.14742	2.2
213.14815	30.5
219.10149	7.8
220.10461	3.3
221.10767	3.2
221.13263	3.0
223.14832	2.2
227.14291	8.3
231.15842	30.6
235.14771	3.4
239.14285	7.5
241.15796	7.5
242.11993	1.7
249.16327	8.9
250.17207	2.9
251.14259	2.2
265.15784	2.0
267.17398	10.9
268.18231	2.1
269.15582	4.8
269.18741	2.9
275.20078	2.2
291.17368	8.0
309.13321	2.2
309.18463	24.1
327.15262	4.1
327.19461	100.0
345.15628	7.4
345.20547	33.5
363.21622	2.7
367.24396	1.8
370.23901	1.9
390.23096	2.8
430.99640	1.7
432.23822	3.8
471.18515	6.4
488.26819	17.0
506.27573	10.7
524.29071	38.4
525.26843	2.2
542.22681	51.0
542.29877	5.0
543.24042	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	542.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.9
54.37930	0.2
55.05503	4.7
57.03141	0.2
57.03426	6.5
57.07067	4.2
59.04989	3.3
60.04496	0.4
67.05490	2.2
67.05791	0.2
68.76852	0.2
69.03413	21.4
69.07049	2.5
69.87130	0.2
70.03725	0.2
71.04972	14.0
73.02895	0.4
73.06536	6.4
75.04450	1.0
79.05489	0.3
81.03397	0.5
81.07029	1.5
81.92554	0.2
83.04941	0.3
83.08612	1.7
84.85921	0.2
85.02888	12.5
85.06551	0.3
85.10149	1.0
86.71573	0.2
87.04448	12.6
87.08079	0.5
89.05993	0.2
91.05450	0.3
92.09042	0.2
93.07028	0.5
95.05643	0.2
95.08572	1.1
97.02870	11.7
97.10117	0.3
99.04426	0.4
100.56168	0.2
104.19947	0.3
105.07022	0.4
107.08601	0.5
109.02850	0.3
109.10141	9.5
111.11707	0.2
114.03148	0.2
115.03910	10.3
117.03334	1.4
121.10146	0.4
127.03889	0.5
127.11164	100.0
128.11444	0.3
133.04944	7.3
135.02298	0.2
137.20058	0.2
145.02843	3.6
145.04924	0.2
145.12213	24.4
147.04388	1.2
149.06004	0.5
150.07536	0.4
177.05444	4.9
195.06531	0.3
195.17476	0.3
213.18420	0.4
231.15863	33.2
496.74591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
53.63443	0.4
55.01864	2.1
55.05497	4.1
57.03430	7.5
57.07068	0.8
59.04991	0.5
61.02902	0.6
64.27419	0.5
67.05492	15.9
69.03417	17.0
69.07053	5.8
71.04981	4.8
75.04460	1.1
79.05476	6.8
81.03401	15.2
81.07034	18.4
83.04958	2.6
83.08615	2.1
85.02893	14.0
85.06526	40.0
87.04446	8.7
91.05437	4.5
92.08942	2.0
93.06438	0.6
93.07021	18.8
95.04962	5.2
95.08582	19.8
96.08945	0.6
97.02869	14.8
97.06503	7.5
97.10177	0.6
97.38680	0.5
99.04446	3.8
99.08056	5.3
105.07014	2.6
107.08572	12.3
109.02862	11.6
109.06483	3.7
109.10139	47.6
111.04411	0.6
111.08074	2.8
112.70125	0.6
113.05995	0.7
115.03905	5.9
119.08564	6.7
121.10117	33.3
123.08026	2.2
123.11729	1.1
125.05968	3.6
125.09627	0.8
127.03915	5.6
129.05452	2.2
129.06981	2.9
130.07260	0.6
131.08524	4.1
132.08844	0.5
133.04945	4.5
133.10110	2.8
135.08023	2.7
135.11682	2.7
137.09595	100.0
139.11166	10.8
141.00027	0.7
141.06952	1.1
141.09169	0.6
142.07310	0.7
143.08589	0.7
145.04967	0.7
147.08029	1.1
147.11652	2.0
149.13243	9.4
151.11119	0.6
151.14790	0.6
152.07181	0.6
153.12785	1.0
155.10651	5.4
157.06473	2.4
157.12207	5.1
159.07993	3.2
159.11691	2.9
160.08334	1.0
163.07584	0.8
165.09073	62.0
165.12697	1.0
167.14302	4.5
169.04736	0.5
169.06467	0.6
170.02750	0.6
171.11734	0.5
174.06720	5.7
175.07190	2.1
175.14932	0.6
176.07748	0.6
177.05457	1.2
177.12701	10.9
181.04996	5.1
183.10175	4.7
183.11565	0.8
186.06789	0.8
189.09088	9.3
190.09412	5.9
191.09698	1.3
195.13776	12.8
201.09125	3.1
201.11174	3.1
202.09462	2.2
213.14816	28.8
219.10127	22.0
220.10472	19.7
221.10684	8.8
230.08406	0.8
231.15857	32.3
257.34900	0.6
291.12222	5.1
295.10056	0.7
309.13235	26.1
326.17932	0.5
327.14355	4.6
327.19431	0.8
345.15405	2.5
345.20645	1.2
363.21552	1.3
375.78128	0.6
462.68860	0.6
542.25922	1.0
543.23743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.6
57.03431	6.2
57.07062	0.8
57.22895	0.4
59.04981	3.0
61.02906	0.6
61.38597	0.4
67.05497	8.4
69.03416	19.4
69.07056	4.5
69.30187	0.5
71.04971	4.6
73.02881	0.5
75.04430	0.8
79.05465	3.1
79.70165	0.5
81.03406	1.2
81.07041	8.0
83.04967	4.8
83.08613	7.1
83.19653	0.5
85.02413	0.9
85.02892	16.4
85.06527	4.6
87.04449	10.5
91.05460	3.2
93.07025	10.4
95.04946	60.3
95.08584	22.8
97.02872	12.8
97.06493	2.9
99.04441	7.8
99.08073	58.7
101.05991	2.9
105.07027	3.7
107.08581	16.2
107.79255	0.5
109.02832	1.0
109.06503	3.1
109.10144	38.1
111.08067	3.1
113.06007	1.0
113.09642	2.4
115.03931	10.2
117.09069	0.7
119.08556	8.4
121.02834	0.7
121.10124	7.6
123.08022	2.0
123.11680	3.6
125.09589	2.3
127.03884	2.8
127.11130	0.9
131.08485	0.6
133.04953	7.6
133.10118	12.8
135.11664	21.3
137.06041	0.6
137.09601	38.9
139.11159	0.9
145.04962	0.8
147.11700	1.0
149.13248	1.2
151.11162	1.1
151.14821	1.8
153.12735	2.7
155.10646	26.2
156.08063	0.8
165.16394	1.1
171.13812	0.9
174.09125	0.7
175.14809	11.5
181.04932	5.0
182.05251	3.0
193.15849	28.8
211.16901	100.0
212.17262	0.8
229.17955	22.3
373.21964	3.5
409.16019	0.6
505.26254	1.3
541.15222	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	541.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17575	0.6
51.57483	0.7
54.00417	0.6
54.05297	0.6
55.83491	0.6
57.07064	0.7
58.34597	0.6
81.07036	0.8
84.70591	1.0
91.05465	0.9
95.08617	1.3
105.06968	0.7
113.33619	0.7
119.08548	0.8
145.10239	0.7
161.75658	0.7
185.12932	0.8
284.13477	0.8
347.79019	0.8
356.92731	0.8
541.31238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3133
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
54.81808	1.7
67.05494	2.1
70.70869	1.6
81.07064	1.8
88.70197	1.9
95.08598	2.4
99.46289	1.8
108.62912	1.6
124.94665	1.5
129.72208	1.5
131.08557	2.4
142.52385	2.0
363.06451	2.1
541.31281	100.0
559.32233	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	541.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04959	0.4
55.05500	0.6
57.07057	2.5
59.65601	0.4
62.69537	0.4
63.05342	0.4
64.33582	0.4
64.34996	0.4
67.05475	0.5
69.07028	0.5
70.06573	2.2
71.08616	1.1
72.08163	0.4
72.51122	0.5
81.07038	0.8
85.10172	0.7
88.07618	2.8
90.28461	0.4
95.08611	0.7
102.09162	1.0
116.25401	0.5
135.70390	0.5
154.22110	0.5
161.08032	0.5
203.05269	2.0
256.26312	4.0
259.07840	0.7
275.68958	0.5
283.26294	0.9
311.29260	3.5
312.29813	0.8
540.53625	6.1
541.33362	100.0
541.53137	5.1
542.33929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01860	1.8
55.05495	2.2
57.03425	1.9
59.04976	0.5
67.05144	0.6
67.05490	16.5
69.03414	12.4
69.07038	0.8
71.04966	2.6
73.02880	0.3
79.05447	2.1
81.03397	21.8
81.07032	11.5
83.04958	1.5
83.08583	0.4
85.02892	8.7
85.06527	0.7
87.04456	1.5
91.05448	2.0
92.09138	1.4
93.07025	4.3
94.07343	0.4
95.04932	4.0
95.08580	8.6
97.02862	8.1
97.06517	0.5
99.04427	4.5
99.08064	2.4
105.06997	1.6
107.04936	0.6
107.08586	4.7
109.02855	19.9
109.06528	2.7
109.10136	56.5
110.10458	0.6
110.77029	0.4
111.04404	2.0
113.05970	0.8
115.03927	0.7
117.06958	0.5
119.08540	4.3
120.08877	0.7
121.02780	0.4
121.10129	2.1
123.04398	0.6
123.07989	0.5
125.05958	3.5
125.09620	3.5
127.03891	15.8
127.11315	0.4
129.05441	0.5
133.04904	0.6
133.10094	2.5
134.10428	1.6
135.08086	0.5
135.11661	3.5
136.12004	0.7
137.09590	100.0
147.04416	0.9
147.08102	0.5
147.11665	0.6
149.39058	0.4
151.03816	0.4
151.11150	0.4
155.10628	7.9
165.09070	55.6
175.14758	2.0
176.15147	0.9
183.10147	4.8
189.05356	0.6
191.04646	0.4
193.15836	2.0
194.16179	0.6
195.13795	2.6
201.11185	7.0
209.08067	0.5
211.16925	2.5
212.17288	1.8
213.14796	1.4
225.11147	0.6
231.15881	0.6
235.06239	0.6
291.12128	2.9
309.13287	10.7
327.10440	0.6
327.14325	15.2
345.15417	1.9
369.15311	2.0
381.00156	0.5
417.15378	0.6
435.16364	3.2
453.17435	12.0
471.18546	14.6
489.19565	9.0
542.22687	0.9
543.23792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.63624	0.4
55.01854	1.9
55.05496	2.7
57.03419	3.9
61.02922	0.9
63.95124	0.5
67.05499	3.3
69.03413	10.3
69.07055	4.5
70.03754	0.6
70.98062	0.4
71.04971	1.9
71.49855	0.4
73.02903	0.7
79.05466	3.2
81.03391	1.0
81.07034	6.6
83.04975	1.2
83.08619	0.9
85.02883	13.6
85.06522	6.7
86.03207	0.9
87.04456	4.5
90.63235	0.4
91.05465	4.0
92.05814	0.6
93.07024	6.1
94.07363	1.0
95.04932	3.3
95.08572	5.4
96.08932	0.5
97.02865	7.8
97.06487	1.8
99.04434	2.4
99.08084	0.9
101.06068	0.5
103.05470	0.6
105.07018	3.6
107.04932	0.8
107.08572	5.9
109.02896	1.8
109.06506	1.8
109.10138	6.2
111.08047	4.6
115.03933	3.3
115.05393	1.1
117.03289	0.5
117.06950	0.5
119.08568	6.1
120.08910	0.6
121.06467	1.7
121.10128	5.0
123.08058	2.4
123.11704	1.8
125.09597	3.4
127.03909	2.4
128.06238	0.9
129.06982	11.9
129.09077	1.9
130.07265	3.4
131.04912	0.9
131.08530	10.9
132.08875	3.3
133.04971	2.6
133.10104	5.3
135.08025	1.1
135.11682	3.1
136.11995	0.4
137.05971	6.9
137.09599	5.1
138.06261	0.7
139.11157	0.8
141.00053	3.1
141.05351	0.5
141.06973	8.3
142.07361	2.8
143.08493	0.5
144.05704	0.7
145.02852	0.6
145.04945	1.6
145.06519	0.7
145.10080	1.0
146.07265	0.4
146.10626	0.5
147.04388	3.3
147.11726	1.9
149.05925	0.8
149.13293	0.9
151.03906	2.6
151.11079	0.7
157.06456	8.2
157.10085	0.5
158.07152	4.3
159.08026	10.1
160.05231	0.9
160.08379	2.6
161.09642	2.0
163.03856	0.7
163.07524	0.7
163.11263	0.5
165.08987	1.3
165.12704	0.8
169.06458	2.8
170.02701	3.9
170.06891	1.8
171.07642	0.6
173.09743	0.5
174.06731	17.1
175.07124	8.8
175.14796	5.7
176.07854	0.9
176.15126	0.9
177.05524	0.6
179.07011	0.8
183.13850	0.8
186.06717	4.9
187.07202	2.5
188.08292	0.6
189.09067	33.8
190.09409	13.4
191.10701	2.6
191.14272	0.6
192.14635	0.6
193.12175	0.6
193.15889	3.1
194.12590	0.7
194.16164	0.6
201.09088	12.8
201.10945	0.9
202.09390	5.9
209.08049	0.5
211.13269	2.7
211.16925	2.9
212.07408	1.0
212.17201	0.6
219.10124	81.8
220.10455	36.7
229.14413	1.0
229.17953	1.0
231.15768	0.7
335.09381	0.8
343.18964	0.6
350.89725	0.5
362.20627	0.7
409.18326	2.1
437.90759	0.4
451.19254	0.8
516.34058	0.5
541.22467	100.0
542.22546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.81757	0.6
55.01874	0.9
55.05497	2.5
57.03416	2.5
59.54647	0.5
67.05487	4.5
69.03409	5.1
69.07042	3.5
71.04974	2.5
73.06538	0.6
73.46107	0.5
79.05459	3.5
81.03380	0.8
81.07034	10.6
83.04958	1.3
85.02901	5.8
85.06507	3.1
87.04455	1.2
91.05447	4.3
91.97421	0.7
93.07016	5.3
95.04951	1.4
95.08581	9.0
96.08916	0.6
97.02858	3.8
97.06497	2.6
98.97575	0.9
99.08036	1.0
105.07027	4.0
107.04907	0.8
107.08583	5.8
109.02892	0.8
109.06506	2.3
109.10130	8.5
111.08030	0.8
115.03910	2.4
115.05379	1.1
117.06944	2.0
119.08575	3.9
121.06487	1.3
121.10116	3.9
123.04373	0.8
123.08034	3.4
123.11685	3.5
125.09589	1.3
127.03797	0.8
131.04887	1.0
131.08533	1.4
132.05696	0.7
133.04944	0.9
133.06471	5.4
133.10139	4.5
135.08015	1.3
135.11655	4.7
137.05984	1.4
137.09590	2.7
143.08481	0.8
145.02884	0.7
145.06535	0.9
145.10133	1.4
146.07191	0.7
147.04398	1.2
147.07999	2.5
147.11626	2.7
149.09608	0.8
149.13252	2.3
151.07553	2.2
151.14818	0.6
153.12706	1.1
157.10077	0.9
159.08037	1.0
161.05943	17.1
163.07533	2.6
167.14279	0.9
173.09645	1.4
175.07458	4.0
175.14777	2.6
176.08290	63.2
177.05399	4.1
177.09003	5.0
192.07831	2.8
193.15855	3.2
194.16251	0.9
207.10130	24.9
211.16838	4.4
212.17198	0.7
215.18187	0.6
265.15808	1.0
275.07419	0.7
282.15640	0.6
307.16904	0.8
325.17929	4.3
325.27200	1.1
326.18158	1.2
331.85657	0.6
333.07904	5.0
343.19058	1.1
344.19232	0.8
361.20026	3.1
362.20282	2.9
409.18158	1.4
460.96964	0.6
541.23102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.81757	0.6
55.01874	0.9
55.05497	2.5
57.03416	2.5
59.54647	0.5
67.05487	4.5
69.03409	5.1
69.07042	3.5
71.04974	2.5
73.06538	0.6
73.46107	0.5
79.05459	3.5
81.03380	0.8
81.07034	10.6
83.04958	1.3
85.02901	5.8
85.06507	3.1
87.04455	1.2
91.05447	4.3
91.97421	0.7
93.07016	5.3
95.04951	1.4
95.08581	9.0
96.08916	0.6
97.02858	3.8
97.06497	2.6
98.97575	0.9
99.08036	1.0
105.07027	4.0
107.04907	0.8
107.08583	5.8
109.02892	0.8
109.06506	2.3
109.10130	8.5
111.08030	0.8
115.03910	2.4
115.05379	1.1
117.06944	2.0
119.08575	3.9
121.06487	1.3
121.10116	3.9
123.04373	0.8
123.08034	3.4
123.11685	3.5
125.09589	1.3
127.03797	0.8
131.04887	1.0
131.08533	1.4
132.05696	0.7
133.04944	0.9
133.06471	5.4
133.10139	4.5
135.08015	1.3
135.11655	4.7
137.05984	1.4
137.09590	2.7
143.08481	0.8
145.02884	0.7
145.06535	0.9
145.10133	1.4
146.07191	0.7
147.04398	1.2
147.07999	2.5
147.11626	2.7
149.09608	0.8
149.13252	2.3
151.07553	2.2
151.14818	0.6
153.12706	1.1
157.10077	0.9
159.08037	1.0
161.05943	17.1
163.07533	2.6
167.14279	0.9
173.09645	1.4
175.07458	4.0
175.14777	2.6
176.08290	63.2
177.05399	4.1
177.09003	5.0
192.07831	2.8
193.15855	3.2
194.16251	0.9
207.10130	24.9
211.16838	4.4
212.17198	0.7
215.18187	0.6
265.15808	1.0
275.07419	0.7
282.15640	0.6
307.16904	0.8
325.17929	4.3
325.27200	1.1
326.18158	1.2
331.85657	0.6
333.07904	5.0
343.19058	1.1
344.19232	0.8
361.20026	3.1
362.20282	2.9
409.18158	1.4
460.96964	0.6
541.23102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06994	0.3
53.03955	0.3
55.01899	0.5
55.05537	2.0
57.03452	0.7
67.05476	2.4
69.03407	2.9
69.07094	1.5
71.05022	1.3
79.05515	1.5
80.22182	0.3
81.03440	0.4
81.07043	4.3
81.11848	0.3
83.04986	0.7
83.08638	1.3
85.02895	2.8
85.06566	1.9
87.04502	1.3
91.05461	2.2
92.08673	0.5
92.09166	1.0
93.07035	3.1
95.04971	0.7
95.08590	3.4
97.02903	1.8
99.08128	0.6
105.07003	2.6
107.04971	0.6
107.08578	3.3
109.02880	0.3
109.06516	0.5
109.10139	4.3
111.08088	0.5
111.80724	0.3
113.09708	0.4
115.03931	1.5
115.05473	1.6
117.07011	1.2
119.08559	2.7
121.00613	0.3
121.06510	2.8
121.10159	1.8
123.04489	0.6
123.08074	0.7
123.11718	1.9
125.09661	0.7
129.03331	0.6
131.04961	1.3
132.05748	1.2
132.08940	0.3
133.04984	0.5
133.06462	6.8
133.10152	1.7
133.64049	0.3
135.08051	0.8
135.11700	2.0
137.05986	0.7
137.09583	0.7
139.11166	0.4
145.02852	1.4
145.06502	2.5
145.10138	0.4
146.07254	0.8
147.04417	0.6
147.08023	3.4
147.11681	0.5
149.05991	2.0
149.09613	0.5
149.13278	0.4
151.07530	4.0
159.11591	0.3
160.05078	0.6
161.05949	31.4
162.06615	1.5
163.07484	2.9
163.53697	0.3
164.08267	0.6
167.06975	1.3
169.89455	0.3
175.07506	6.4
175.14821	1.6
176.08293	100.0
177.05452	4.6
177.09061	6.9
178.08836	0.4
179.07143	0.3
179.09146	0.3
179.10674	1.3
181.04913	0.6
189.09042	0.5
192.07799	5.8
193.09875	0.3
193.15872	1.2
194.58377	0.3
207.10130	40.5
208.10487	0.7
210.15564	0.3
211.11140	0.4
211.16806	2.1
265.15720	0.4
275.07245	1.5
307.26184	0.4
319.38754	0.3
325.17923	0.9
333.04242	0.4
333.07870	8.6
335.09253	0.6
361.19931	2.2
362.20041	1.6
409.17889	0.4
541.18176	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05502	7.2
55.05722	0.7
57.03429	9.1
57.07059	1.0
59.04990	3.7
60.51587	0.7
67.05492	15.1
69.03415	19.7
69.07053	8.0
71.04978	3.3
73.02885	0.7
75.04478	0.9
79.05466	4.9
81.03408	1.1
81.07039	16.5
83.04957	5.3
83.08593	7.5
85.02892	17.5
85.06523	6.5
87.04446	10.2
91.05458	1.8
93.07042	10.6
95.04955	1.9
95.08589	54.7
97.02876	14.1
97.06504	1.4
97.10139	1.4
99.04429	3.2
99.08053	1.2
101.05989	1.8
101.37522	0.8
105.07010	6.0
107.08573	11.8
109.06506	1.4
109.10143	31.5
111.08076	1.0
113.09623	1.1
115.03914	8.9
115.07548	5.7
118.67620	0.8
119.08549	12.6
121.10115	9.4
123.08046	4.7
123.11680	7.3
125.09599	3.7
127.03941	1.0
133.04915	8.4
133.10115	10.4
135.11671	14.8
137.05974	1.8
137.09613	14.5
137.13264	1.4
139.11205	3.2
147.11697	2.0
149.13222	4.5
151.07452	0.8
151.11191	1.3
163.14775	9.8
165.16354	3.7
174.09386	0.8
175.14812	18.4
181.15825	9.7
193.15846	32.0
193.17513	1.5
195.17303	1.1
211.16904	100.0
229.17932	11.4
292.48663	1.0
373.22165	1.5
414.42068	1.1
497.90765	0.9
541.20770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05492	1.2
57.03431	2.6
59.04975	1.1
59.92563	0.3
64.33681	0.2
67.05480	1.6
69.03062	0.5
69.03414	8.3
69.07043	1.8
71.04953	1.8
73.02885	0.3
79.05473	0.7
81.03400	0.6
81.07047	2.9
83.08607	0.7
85.02888	8.1
85.06542	2.6
87.04455	4.6
91.05427	1.7
92.09075	0.4
93.07030	3.3
95.04926	1.4
95.08592	5.6
97.02871	5.9
97.06498	0.5
99.04424	1.5
99.08069	10.2
101.05981	0.5
101.08471	0.2
103.05479	0.4
105.06987	1.4
107.08575	4.2
109.06492	0.5
109.10143	7.3
113.09621	0.4
115.03925	4.1
115.05414	1.2
116.06176	0.5
117.06982	0.6
119.08585	2.7
121.10116	2.0
123.08086	0.4
123.11690	1.5
125.09624	0.5
127.03883	0.5
128.06198	1.7
129.06975	10.0
129.09084	0.3
131.04901	1.3
131.08546	11.4
133.04938	3.0
133.06482	0.3
133.10126	4.7
135.11667	7.9
137.05954	2.4
137.09587	2.1
141.06966	7.8
141.08044	0.5
143.04935	0.5
143.08502	0.5
144.05649	1.3
145.04976	0.4
145.06404	0.6
145.10040	0.3
146.07196	0.7
147.11642	0.4
149.13177	2.0
151.07446	0.3
151.14636	0.3
153.12691	2.6
155.10617	2.6
157.06473	9.0
158.07245	4.6
159.08025	9.8
160.05159	1.2
161.09492	1.1
163.07469	0.6
165.16339	0.3
167.14265	0.6
169.06430	5.2
169.07637	0.4
170.07249	1.7
171.07956	0.9
173.05969	0.6
174.06721	22.4
175.07516	4.7
175.14758	3.9
181.15828	0.5
183.08101	0.5
186.06714	5.6
187.07274	0.4
188.08267	1.7
189.09067	41.0
191.10632	3.8
193.15825	6.9
201.09076	16.1
203.10670	0.5
211.16896	26.7
219.10126	100.0
220.10429	1.7
223.83485	0.3
229.17958	4.0
295.10059	0.3
337.41629	0.3
343.21164	0.3
373.22137	0.6
395.94180	0.3
505.26328	1.2
541.20831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01856	1.5
55.05497	12.6
57.03426	14.2
57.07062	1.8
59.04979	7.4
59.80347	0.6
61.02922	1.8
67.05487	16.4
69.03411	50.0
69.07049	19.7
71.04961	4.3
73.02898	1.2
75.04471	1.3
76.00679	0.8
79.05466	6.9
81.03394	4.3
81.07034	20.1
83.04966	11.2
83.08605	9.2
83.40803	0.8
83.89548	0.7
85.02886	34.5
85.06525	8.7
87.04441	22.3
91.05453	11.3
92.81903	0.8
93.07018	23.5
95.04951	4.8
95.08582	38.3
95.09202	1.4
97.02861	42.6
97.06490	3.8
97.10133	3.5
99.04427	4.0
99.08068	42.7
105.07008	18.7
107.04952	1.1
107.08568	38.6
109.02845	1.9
109.06499	9.5
109.10136	98.3
111.04485	0.8
111.08074	4.8
113.09579	3.2
115.03907	28.6
117.06976	1.2
119.04908	20.7
119.08551	63.8
121.06492	0.9
121.10109	27.9
123.08045	20.8
123.11666	16.0
125.09589	5.6
127.03887	3.9
129.06944	1.0
131.04910	0.8
131.08533	3.5
133.04941	17.9
133.10097	93.7
135.08043	3.7
135.11661	95.5
137.05948	14.1
137.09595	30.9
137.13222	1.4
138.10335	0.9
139.11108	1.8
145.04938	0.9
145.10098	4.2
147.04385	52.9
147.08008	1.1
147.11642	10.6
149.13242	7.9
151.11134	11.8
151.14772	8.5
153.12711	1.6
155.10605	1.0
157.10117	1.2
159.11531	1.0
163.07629	1.0
165.12727	1.4
165.16411	1.4
166.08627	1.3
167.91032	0.9
171.11646	2.1
173.13196	1.6
175.11192	3.5
175.14777	100.0
177.16362	6.1
179.07030	1.9
185.13268	1.2
191.14310	1.2
192.06023	1.0
192.14534	0.9
193.04883	1.4
193.12219	4.4
193.15840	79.9
195.11496	1.1
200.82071	0.9
211.13515	15.5
211.16878	88.6
220.08220	0.9
229.14365	1.4
279.17307	0.9
295.10260	1.2
343.18970	4.2
373.22043	2.1
382.15323	0.9
514.78400	1.0
540.18872	3.7
541.22241	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	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83183	0.2
53.03938	0.2
55.01851	0.4
55.05489	1.4
57.03426	3.5
57.07043	0.2
59.04977	0.5
61.02912	0.6
63.43886	0.2
67.05491	2.1
69.03077	0.4
69.03417	9.7
69.07060	2.2
70.03755	0.4
71.04967	1.8
73.02885	0.4
79.05466	1.3
81.03385	1.4
81.07039	4.7
83.04949	0.7
83.08553	0.3
85.02885	12.3
85.06525	3.3
87.04453	4.1
88.04753	0.3
89.91737	0.2
91.05466	3.5
93.07019	3.8
93.09081	0.3
94.99547	0.3
95.04913	1.4
95.08588	3.8
96.08960	0.3
97.02866	6.5
97.06485	1.6
99.04400	0.5
99.08050	1.4
103.05476	0.4
105.07004	3.8
106.07372	0.4
107.08571	4.2
108.08891	0.5
109.06499	2.0
109.10133	3.8
111.08047	1.8
111.52937	0.3
115.03880	2.7
115.05444	0.6
115.28979	0.3
117.07014	0.6
119.04864	0.5
119.08570	4.4
121.06450	1.0
121.10095	3.1
123.07999	2.0
123.11674	1.3
125.09592	4.0
127.03866	3.0
128.06136	1.3
129.06970	11.7
129.09038	0.4
131.04924	2.2
131.08542	12.4
132.08878	0.6
133.04938	2.4
133.10095	6.2
134.10437	0.4
135.07997	2.1
135.11658	2.6
137.05959	3.9
137.09590	3.8
141.06963	8.4
143.04878	0.6
143.08487	1.4
144.05652	0.7
145.04892	1.0
145.06454	1.4
145.10075	1.5
146.07257	0.6
147.04382	2.7
147.08011	0.4
147.11668	5.8
148.12003	3.3
149.05956	0.5
149.09549	1.2
149.13208	1.7
151.07491	0.6
151.11133	1.0
153.09045	0.5
157.06459	11.1
158.07269	3.3
159.08018	9.6
160.05145	1.1
161.09593	1.9
163.06071	0.4
163.07498	1.8
163.14772	0.5
165.12674	0.4
169.06413	4.3
169.07658	0.4
170.07196	1.5
171.10046	0.3
173.09587	1.0
173.13222	1.5
174.06721	21.9
174.13530	0.6
175.07526	3.5
175.11180	0.7
175.14771	4.2
177.16321	0.3
181.04955	0.3
181.08539	0.4
183.13734	0.5
186.06729	5.1
187.07558	1.0
188.08365	0.5
189.09064	38.9
190.09302	0.3
191.10664	3.3
191.14281	4.4
192.14609	3.5
193.12239	1.0
193.15784	1.7
195.06558	0.3
201.09062	14.9
207.10086	1.3
209.15332	3.8
210.15698	2.9
211.13277	3.6
211.17033	3.7
219.10118	100.0
220.10339	0.6
227.16429	0.7
228.16530	0.4
229.14287	2.5
229.17981	1.9
237.11267	0.6
297.18536	1.2
315.19427	0.5
343.18979	1.3
348.53079	0.3
361.19989	1.1
381.15286	1.2
445.25900	0.3
541.22687	2.0
546.49481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83183	0.2
53.03938	0.2
55.01851	0.4
55.05489	1.4
57.03426	3.5
57.07043	0.2
59.04977	0.5
61.02912	0.6
63.43886	0.2
67.05491	2.1
69.03077	0.4
69.03417	9.7
69.07060	2.2
70.03755	0.4
71.04967	1.8
73.02885	0.4
79.05466	1.3
81.03385	1.4
81.07039	4.7
83.04949	0.7
83.08553	0.3
85.02885	12.3
85.06525	3.3
87.04453	4.1
88.04753	0.3
89.91737	0.2
91.05466	3.5
93.07019	3.8
93.09081	0.3
94.99547	0.3
95.04913	1.4
95.08588	3.8
96.08960	0.3
97.02866	6.5
97.06485	1.6
99.04400	0.5
99.08050	1.4
103.05476	0.4
105.07004	3.8
106.07372	0.4
107.08571	4.2
108.08891	0.5
109.06499	2.0
109.10133	3.8
111.08047	1.8
111.52937	0.3
115.03880	2.7
115.05444	0.6
115.28979	0.3
117.07014	0.6
119.04864	0.5
119.08570	4.4
121.06450	1.0
121.10095	3.1
123.07999	2.0
123.11674	1.3
125.09592	4.0
127.03866	3.0
128.06136	1.3
129.06970	11.7
129.09038	0.4
131.04924	2.2
131.08542	12.4
132.08878	0.6
133.04938	2.4
133.10095	6.2
134.10437	0.4
135.07997	2.1
135.11658	2.6
137.05959	3.9
137.09590	3.8
141.06963	8.4
143.04878	0.6
143.08487	1.4
144.05652	0.7
145.04892	1.0
145.06454	1.4
145.10075	1.5
146.07257	0.6
147.04382	2.7
147.08011	0.4
147.11668	5.8
148.12003	3.3
149.05956	0.5
149.09549	1.2
149.13208	1.7
151.07491	0.6
151.11133	1.0
153.09045	0.5
157.06459	11.1
158.07269	3.3
159.08018	9.6
160.05145	1.1
161.09593	1.9
163.06071	0.4
163.07498	1.8
163.14772	0.5
165.12674	0.4
169.06413	4.3
169.07658	0.4
170.07196	1.5
171.10046	0.3
173.09587	1.0
173.13222	1.5
174.06721	21.9
174.13530	0.6
175.07526	3.5
175.11180	0.7
175.14771	4.2
177.16321	0.3
181.04955	0.3
181.08539	0.4
183.13734	0.5
186.06729	5.1
187.07558	1.0
188.08365	0.5
189.09064	38.9
190.09302	0.3
191.10664	3.3
191.14281	4.4
192.14609	3.5
193.12239	1.0
193.15784	1.7
195.06558	0.3
201.09062	14.9
207.10086	1.3
209.15332	3.8
210.15698	2.9
211.13277	3.6
211.17033	3.7
219.10118	100.0
220.10339	0.6
227.16429	0.7
228.16530	0.4
229.14287	2.5
229.17981	1.9
237.11267	0.6
297.18536	1.2
315.19427	0.5
343.18979	1.3
348.53079	0.3
361.19989	1.1
381.15286	1.2
445.25900	0.3
541.22687	2.0
546.49481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33428	0.2
53.03931	0.4
55.01861	0.3
55.05490	2.3
57.03428	3.4
57.07051	0.4
59.04968	0.5
59.84948	0.3
61.02911	0.4
62.12077	0.3
67.05481	2.5
69.03068	0.4
69.03413	8.5
69.07062	2.6
71.04959	1.4
79.05471	0.7
80.04646	0.3
81.03401	0.6
81.07027	3.3
83.04965	0.6
83.08591	2.1
85.02888	7.6
85.06517	3.0
87.04444	5.4
91.05435	1.5
92.09143	0.7
93.07008	4.1
94.50026	0.3
95.04928	1.6
95.08576	9.8
97.02864	5.6
97.06502	0.7
97.10112	0.4
99.04434	1.2
99.08064	9.8
100.11272	0.4
101.06005	0.5
105.06985	1.7
107.08588	4.7
109.06509	0.6
109.10136	9.4
110.82330	0.4
111.08028	0.8
114.38018	0.4
115.03914	4.2
119.08551	2.8
121.10092	2.3
123.08046	1.5
123.11678	2.1
125.09583	0.6
127.03860	0.4
128.06177	1.8
129.06972	10.2
129.09090	1.9
131.04901	1.2
131.08537	10.7
133.02814	0.4
133.04947	3.5
133.10100	4.2
135.11662	9.1
137.05954	2.6
137.09555	2.9
139.11131	0.4
141.06963	8.7
143.04874	0.7
143.08502	1.6
144.05698	0.8
145.06470	0.8
146.07233	0.5
147.11641	0.6
149.13220	2.7
151.11131	0.5
151.14801	0.6
153.12695	3.1
155.10640	2.0
157.06468	7.8
158.07237	4.5
159.08011	9.7
160.05194	1.3
161.09590	1.3
163.07507	0.5
163.14752	1.5
167.14371	0.4
169.06427	4.6
169.07626	0.4
170.07227	2.5
171.08011	0.5
173.05966	0.6
174.06718	20.4
175.07477	4.4
175.14806	5.2
177.09120	0.4
181.15813	1.6
186.06750	4.5
188.08301	0.7
189.09065	38.5
190.09546	0.4
191.10603	3.3
193.15829	7.6
201.09076	15.6
203.10655	0.6
207.10143	0.3
210.14684	0.4
211.16891	30.3
219.10120	100.0
229.17915	9.0
263.40366	0.3
373.22070	0.5
505.26236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.1
53.03934	0.7
53.17588	0.1
53.96457	0.1
55.01848	0.2
55.05493	0.2
57.03428	3.0
57.07058	0.1
58.23992	0.1
59.04978	0.8
60.04497	0.2
61.02902	0.3
63.93227	0.1
67.05481	0.8
69.03415	9.5
69.07054	0.3
71.04979	0.3
73.02874	0.2
75.04459	0.3
77.03941	0.1
79.05454	1.5
81.03420	0.3
81.07024	0.3
83.08601	0.2
85.02892	6.4
85.06516	0.2
87.04448	4.5
91.05461	0.9
92.08675	0.2
93.07014	0.4
95.04939	1.5
95.08584	0.8
97.02874	6.2
97.06553	0.3
99.04443	0.2
101.02339	0.2
103.89248	0.1
105.06978	0.3
107.04938	100.0
107.08589	0.6
109.02866	0.2
109.10149	0.8
113.05971	0.7
115.03905	4.8
119.08597	0.2
121.06482	1.0
121.10098	0.1
123.04416	0.2
127.03842	1.0
131.08551	0.2
133.04938	3.8
133.06436	0.2
133.10124	0.2
135.11653	0.3
137.05991	0.2
145.04941	0.6
145.06439	0.7
145.08603	0.2
147.08073	0.2
147.11641	0.2
149.05980	0.6
150.07605	0.9
159.11720	0.2
161.05875	0.2
161.13176	0.1
175.07529	0.3
176.67046	0.2
181.10033	0.2
191.07045	0.3
192.32550	0.1
203.06981	0.2
211.16908	0.3
221.08025	0.2
229.08517	2.0
239.09013	0.3
257.35742	0.2
337.21878	0.2
355.22586	0.6
373.23587	0.3
463.30911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
54.81617	0.2
55.01851	1.2
55.05487	1.5
57.03421	2.1
57.34837	0.2
57.76876	0.2
60.04464	0.2
61.02914	2.1
63.76073	0.2
67.05471	0.3
69.03411	5.4
71.04958	0.3
71.48359	0.2
73.02898	0.3
79.05458	0.6
80.12382	0.2
81.03395	2.8
83.04929	0.6
85.02885	19.2
87.04452	0.6
91.03943	0.9
91.05453	7.7
93.07024	7.2
95.04937	2.8
95.08568	0.4
97.02868	7.3
99.04406	1.0
100.05457	0.2
103.05448	4.9
105.04509	0.3
105.07012	0.5
107.04902	0.3
107.08593	2.9
109.02859	2.1
109.06451	0.3
109.10110	0.5
115.03930	0.4
119.04918	1.3
120.05682	1.2
121.06474	12.9
122.86607	0.3
123.04382	1.1
123.07970	0.4
125.05962	0.4
127.03903	4.0
131.04883	0.3
131.06082	0.2
133.02808	0.4
135.04333	0.3
135.08017	2.2
137.05962	3.1
138.06721	0.3
139.07520	0.3
140.04605	0.4
144.06522	0.5
144.62982	0.3
145.04919	3.4
147.04366	1.5
148.05170	1.2
149.05939	5.5
151.03850	1.6
151.07463	0.9
153.05484	0.3
153.09076	1.5
155.07018	0.3
163.03818	1.1
163.05997	0.4
163.07495	0.6
166.06201	5.9
167.06969	1.2
175.03877	1.3
179.02531	0.3
179.14307	0.5
181.08549	100.0
182.08893	0.4
199.09596	2.1
204.27208	0.3
207.06506	1.7
209.04408	1.5
210.15717	0.4
211.09558	0.5
229.10588	0.4
307.11810	0.5
325.12631	1.1
405.01303	0.3
540.17206	0.4
562.10754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06126	0.8
60.25778	0.4
60.40570	0.4
65.02941	0.5
92.08752	0.9
92.09241	0.8
93.07051	0.8
102.08396	0.5
121.10136	0.7
145.39313	0.6
150.05807	0.5
167.06802	2.0
198.73701	0.5
395.21869	4.8
411.76480	0.6
539.29712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16814	0.8
82.07390	0.8
83.02996	0.7
87.89037	0.7
95.08612	1.3
98.80511	0.8
107.08512	1.3
113.75049	0.7
151.36992	0.9
163.53867	0.9
167.06827	1.0
370.37921	0.9
395.21893	15.7
539.29706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19271	0.5
55.05518	0.7
58.98590	0.6
67.05489	0.6
67.11079	0.6
69.07051	0.7
70.41970	0.6
70.64050	0.6
80.02390	0.7
81.07039	1.0
95.08569	0.8
114.36879	0.8
151.84749	0.9
156.14081	0.9
167.06737	1.3
231.19641	0.7
266.68271	0.7
395.21793	7.1
498.32532	1.1
539.29657	100.0
540.29730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3186
Annotation	Dysinosin D
Peak:m/z	Relative Intensity
54.81923	0.2
55.53606	0.2
61.89830	0.2
67.05492	0.2
67.35545	0.2
69.04558	0.3
72.07138	0.2
89.76482	0.2
102.17561	0.2
185.04242	0.4
293.11905	0.2
404.53632	0.2
539.31824	100.0
540.31970	1.1
549.20251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.96551	3.2
57.03411	3.6
57.07067	8.5
58.07383	0.8
59.04990	10.1
60.05306	2.9
65.03925	1.1
67.05487	34.8
68.05819	7.9
69.03410	16.3
69.07059	1.2
70.03731	5.2
71.04604	1.3
71.04970	24.4
72.05310	5.3
74.69760	0.7
79.05469	3.8
79.75704	0.7
80.05804	1.0
81.07043	5.5
82.07365	1.8
83.04963	1.1
83.08568	0.9
83.39963	0.8
85.06524	32.8
86.06832	8.3
87.04451	4.6
87.06876	0.8
88.04770	1.1
91.05450	3.6
92.08723	1.0
93.07005	5.3
94.07376	1.0
95.04940	36.4
95.08582	6.5
96.05264	11.6
97.05430	1.4
102.32899	0.8
105.07023	3.9
106.07388	1.0
107.08572	6.7
108.08920	3.2
109.10161	1.5
111.04434	0.9
113.05980	99.1
114.06310	40.2
115.06400	9.5
116.06725	0.9
117.07024	1.1
119.07722	0.8
119.08553	1.8
120.08887	0.7
121.10126	3.5
122.10444	1.7
131.08565	1.7
132.08852	0.8
133.10077	3.7
135.11696	4.1
136.12039	1.7
143.00116	1.2
143.08594	1.0
145.08574	20.6
145.10109	1.4
146.08893	10.1
147.09070	3.0
147.11700	3.0
157.10065	0.9
159.11668	2.9
160.11974	1.7
161.01138	1.3
161.13271	1.1
162.13632	1.3
171.11703	0.9
173.13330	0.9
175.14821	0.9
185.13124	1.0
186.13531	1.0
187.02751	1.2
200.15172	1.3
227.36337	0.7
247.16368	0.7
253.66850	0.9
255.44028	0.7
257.15121	0.9
262.91437	0.7
294.22867	1.1
295.23370	0.9
322.22360	1.2
339.23160	9.1
340.23401	10.2
341.23834	13.2
342.24054	2.8
357.24133	1.2
358.24487	3.4
359.24725	5.0
375.25186	3.7
376.25464	9.3
377.25775	13.2
378.26169	4.3
432.22046	0.8
487.27621	0.8
538.30829	0.8
539.29663	100.0
540.30176	4.8
541.30902	7.8
542.31946	1.6
543.81976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66545	0.4
52.86176	0.4
54.81800	0.5
65.99641	0.3
85.75116	0.4
91.73977	0.4
95.04945	1.0
95.08558	0.5
98.92335	0.4
104.31474	0.4
113.06018	0.9
121.93958	0.6
127.03220	0.4
155.29347	0.5
166.89348	0.5
167.06760	1.0
242.88696	0.4
539.29688	100.0
540.29797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90749	0.3
57.70391	0.3
59.08630	0.3
60.46983	0.3
61.00589	0.3
67.09133	0.3
79.34696	0.4
87.69202	0.3
95.04970	0.6
111.48063	0.4
113.06040	0.4
114.79439	0.4
118.58173	0.4
139.56055	0.4
186.38805	0.4
201.27043	0.4
206.90968	0.4
331.18457	0.4
539.29681	100.0
540.30133	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	539.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88445	0.4
56.75824	0.3
60.95802	0.3
61.35817	0.3
67.05502	0.6
68.55192	0.4
71.20078	0.4
80.71208	0.4
85.06500	0.4
105.06992	0.4
113.05954	0.8
132.61229	0.4
140.75208	0.4
167.06761	0.7
257.27493	0.4
274.27393	1.8
382.58005	0.4
462.21921	0.4
539.29688	100.0
540.29974	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	539.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00077	0.3
52.64814	0.3
67.05492	0.6
78.32175	0.3
88.84953	0.4
92.63894	0.4
107.08564	0.3
109.10124	0.4
109.25921	0.4
111.66465	0.3
121.10076	0.4
133.10138	0.5
143.08673	0.4
169.11131	0.4
395.21680	0.7
456.58804	0.4
484.70285	0.4
539.29645	100.0
540.29810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80158	0.3
72.71623	0.3
77.90729	0.3
78.83164	0.3
84.74245	0.3
94.04563	0.3
102.05937	0.3
156.00613	0.3
167.06819	0.5
241.01340	0.3
395.21906	0.6
446.54355	0.3
526.71088	0.3
539.29681	100.0
540.29956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11081	0.6
55.01867	1.2
55.05507	33.2
57.03436	7.3
57.07065	1.0
59.04983	4.7
61.56852	0.8
67.05488	4.8
69.03418	25.1
69.07047	4.4
70.03721	0.7
71.04977	3.1
79.05481	3.4
81.03413	3.1
81.07036	10.5
83.04966	21.4
83.08608	26.3
85.02898	18.2
85.06523	4.0
87.04473	8.5
91.05443	3.4
92.08733	1.0
92.09194	1.2
93.07023	10.9
95.04944	13.1
95.08580	8.0
97.02872	17.2
97.06492	7.0
97.10152	3.7
99.04438	3.7
105.07027	8.0
106.84479	0.9
107.08575	19.3
109.02905	1.1
109.06496	10.9
109.10149	15.9
111.04422	0.9
111.08066	7.1
112.82974	0.8
113.09623	1.0
115.03931	9.0
119.08533	6.0
121.10125	25.8
123.08031	3.2
123.11678	6.7
125.09636	8.9
127.03912	1.0
131.08540	4.7
133.04968	8.4
133.10118	14.7
135.08055	3.4
135.11674	3.8
137.09619	0.9
138.05493	1.3
139.11186	6.6
145.04919	0.7
145.10077	2.7
147.04378	0.9
147.11678	5.6
149.09508	0.8
149.13287	7.1
151.11163	30.5
152.11440	1.1
153.09064	5.0
158.10880	1.3
163.14838	5.5
167.14281	35.0
168.14651	3.0
172.55269	0.8
173.13277	7.8
181.04997	1.0
181.12279	0.7
191.14258	8.5
192.14691	1.1
193.04950	1.7
194.05246	0.8
209.15338	100.0
210.15753	8.1
225.14757	1.0
227.16353	4.8
378.66495	0.8
516.04199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.80325	0.6
55.01865	1.3
55.05502	36.2
57.03418	6.7
57.07073	1.1
57.24311	0.6
59.04982	4.4
61.02891	0.8
67.05495	8.0
67.78505	0.6
69.03413	16.4
69.07060	6.1
71.04969	4.3
73.83863	0.7
75.44283	0.6
79.05463	4.4
81.03409	1.6
81.07041	10.0
83.04962	21.1
83.08600	26.4
85.02894	15.3
85.06540	3.7
87.04441	10.6
91.05464	6.0
92.08927	3.2
93.07020	12.8
95.04945	22.8
95.08583	16.1
97.02871	12.3
97.06507	4.8
97.10154	5.2
98.97575	0.7
99.04443	8.6
99.08058	1.0
101.06006	1.4
103.05431	1.2
105.07022	12.9
106.07320	1.3
107.08574	22.2
109.02832	1.2
109.06493	6.1
109.10127	18.3
111.08070	6.9
113.05994	0.9
113.09612	0.9
113.81225	0.7
114.68674	0.7
115.03909	7.6
119.04939	1.2
119.08549	7.9
120.08852	0.8
121.06481	1.0
121.10117	53.2
122.10448	9.3
123.04349	0.8
123.08072	5.0
123.11651	7.0
125.09612	6.1
127.03927	0.9
131.08560	5.3
133.04962	8.4
133.06483	1.1
133.10109	12.8
134.10478	0.9
135.08057	3.2
135.11650	5.1
137.05946	8.7
137.09610	3.7
138.06374	2.3
139.11153	17.2
145.04936	0.9
145.10144	2.7
147.04488	0.8
147.11659	9.2
148.12000	1.5
149.06003	1.1
149.09607	1.7
149.13245	3.4
151.11160	32.1
153.09050	9.1
161.13286	1.0
163.03877	3.5
163.14789	4.9
163.50182	0.7
165.12720	1.6
166.06236	1.0
167.07007	3.5
167.14282	35.3
173.13219	10.6
174.13608	2.9
175.14799	2.9
179.07019	5.1
179.10674	4.0
179.14224	10.5
180.07365	1.3
180.10960	1.2
181.04953	5.2
181.08569	8.8
185.02188	0.8
191.14272	11.1
192.14600	1.0
197.15315	7.1
199.09557	1.0
207.06404	0.7
209.15327	100.0
213.93065	0.7
215.16441	0.8
227.16324	11.9
241.33176	0.9
245.17558	3.4
267.74268	0.7
360.06335	0.7
527.46503	0.8
539.13635	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	538.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82022	1.2
55.01860	0.8
55.05498	1.8
57.03426	1.8
57.07068	1.0
58.41223	0.8
59.04982	4.3
66.29148	0.9
67.05483	6.3
68.37337	1.0
69.03417	17.5
69.07057	1.9
69.27267	0.8
69.73253	0.8
70.03745	4.0
71.04980	1.8
79.05472	5.0
81.07027	9.2
83.04967	1.3
83.08614	1.1
85.06516	3.9
90.30006	1.0
91.05455	6.2
93.07005	11.3
95.04956	11.0
95.08583	11.1
96.05265	2.3
97.06500	3.5
105.07009	15.6
107.08584	13.6
109.06547	1.4
109.10146	7.6
111.08098	6.6
113.06008	16.5
114.06326	3.9
117.07028	1.2
119.08575	10.2
121.10126	100.0
123.08047	76.5
123.11674	3.8
125.09582	1.2
131.08548	2.0
133.10097	4.8
135.08052	1.8
135.11673	7.3
137.09586	2.3
137.13271	2.2
139.11177	1.8
143.08569	1.9
145.08574	4.8
145.10083	7.5
146.08881	1.2
147.11665	12.9
149.13200	2.2
156.64671	1.0
157.10077	2.0
159.11737	1.7
161.09563	1.3
161.13239	1.6
163.14796	1.8
165.12737	13.4
165.65355	1.0
171.11591	3.8
173.13184	3.9
175.11226	1.3
175.14706	1.6
183.13759	2.0
185.13216	3.8
187.14833	14.9
189.12802	1.3
199.14742	1.7
201.16318	1.4
215.17827	1.7
241.19423	9.2
259.20526	18.0
305.21048	79.6
340.23447	2.0
341.23730	1.4
358.24341	1.0
376.25443	1.4
455.04633	1.0
458.13455	1.1
497.32260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.3
57.03426	4.5
57.07064	66.3
61.02906	4.6
67.05492	19.8
69.07045	13.4
71.08613	58.5
76.48862	2.0
81.07034	25.8
83.08591	10.9
85.02904	3.8
85.10160	27.7
85.28854	1.8
95.08581	39.1
97.02859	2.2
97.10147	14.3
104.99288	2.0
109.10124	18.4
109.47713	1.8
111.11678	2.5
123.11686	7.9
137.13272	2.7
151.14861	2.1
167.24263	1.8
247.57867	2.3
267.26691	22.8
285.27850	3.6
341.30423	100.0
359.31531	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	538.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93396	0.3
54.61925	0.3
55.01856	0.6
55.05494	1.6
57.03420	3.6
59.04991	0.5
67.05471	1.5
69.03413	9.6
69.07047	5.2
71.04964	1.7
79.05479	3.5
81.03393	0.5
81.07028	6.3
83.04953	0.6
83.08614	0.5
85.02891	5.6
85.06528	0.9
87.04453	4.8
91.05448	3.0
92.08729	0.5
92.09222	0.8
93.07028	4.7
95.04950	3.6
95.08575	3.5
97.02857	4.6
97.06472	1.6
99.04434	4.6
103.05445	0.6
105.07006	4.2
107.04926	2.2
107.08564	14.5
109.06489	1.9
109.10129	2.3
115.03928	5.1
117.00346	0.4
117.06965	1.6
119.04926	0.5
119.08552	4.1
121.06467	4.9
121.10119	6.1
123.04430	0.5
123.08025	2.0
123.11729	0.6
125.05990	0.5
125.09541	1.8
127.03889	0.4
131.04848	0.5
131.08534	3.8
133.02808	0.9
133.04939	4.2
133.06467	0.5
133.10100	5.9
135.08011	6.0
135.11617	3.2
136.05185	0.7
137.05942	0.9
138.06740	0.5
145.06389	0.6
145.10072	1.6
147.04359	2.6
147.08051	2.7
147.11671	6.2
148.05174	0.7
149.05951	1.7
149.09605	3.0
149.13229	3.5
151.03871	0.9
151.07521	4.3
151.11140	1.5
153.05394	3.1
153.09061	1.7
154.06160	0.5
158.10851	0.5
161.13179	4.1
162.06683	4.5
163.07520	5.5
163.14760	2.2
164.08267	0.8
165.05414	3.3
166.06212	5.0
168.07759	9.5
173.13223	7.0
177.09103	4.4
178.09845	20.1
179.06975	8.8
179.10500	0.9
179.14256	11.7
181.08549	25.7
191.14265	13.1
193.15726	0.5
194.09348	22.9
209.11684	100.0
209.15274	7.0
210.12114	0.9
215.21613	0.5
227.16368	4.5
261.02780	0.4
341.17245	0.5
439.79291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.8
57.03426	11.2
57.07075	1.8
57.27011	0.8
59.04979	3.9
67.05486	3.3
69.03416	21.8
69.07055	7.8
71.04973	4.5
79.05457	4.4
81.07030	13.5
83.04963	2.1
83.08600	6.5
85.02881	18.2
85.03358	1.1
85.06528	2.0
87.04446	11.3
91.05457	6.0
92.08849	1.3
93.07022	11.1
95.04940	16.8
95.08573	9.6
96.03240	1.0
97.02868	14.7
97.06503	31.2
99.04434	2.2
99.08066	6.7
105.07013	17.5
107.08575	22.5
109.06496	58.6
109.10129	16.4
111.08086	1.5
115.03903	11.7
115.07536	9.5
119.08550	11.8
121.06468	1.6
121.10110	24.7
123.08070	4.9
123.11695	4.0
125.09592	1.9
127.03845	1.0
127.07478	1.5
131.08521	15.4
133.04927	7.6
133.10103	58.5
135.08037	10.5
135.11667	4.2
137.09563	1.3
137.56219	0.9
139.11145	3.7
145.10141	4.5
147.11664	40.3
149.09627	3.9
149.13252	7.0
151.11174	4.8
153.09085	22.3
158.10896	1.8
163.11180	1.1
163.14751	8.3
165.12688	4.5
173.13214	33.9
191.14267	39.9
209.15326	75.2
227.16367	100.0
271.45450	1.0
290.21353	1.0
410.72958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16434	0.5
50.79534	0.6
52.08278	0.5
53.03925	1.2
55.01839	0.7
55.05506	6.1
55.10114	0.6
55.52948	0.6
57.03429	6.0
57.07049	2.5
57.46214	0.5
59.04992	0.9
65.03924	0.7
67.05489	7.3
69.03413	36.8
69.07044	10.5
79.05473	9.1
80.91896	0.8
81.03400	2.7
81.07032	9.2
83.04961	4.6
83.08596	4.5
85.02881	12.6
85.06511	1.4
87.04431	9.9
91.05457	20.1
92.09303	2.5
93.07020	11.9
95.04934	2.7
95.08588	9.7
96.23622	0.6
97.02868	11.3
99.04419	0.8
103.05431	0.7
105.07011	28.2
107.08576	28.5
109.06467	4.4
109.10145	7.7
109.11629	0.6
111.08035	1.5
115.03896	8.3
115.05402	1.4
116.06173	0.9
117.05378	0.7
117.06992	9.6
119.08557	47.6
121.06469	3.4
121.10119	22.1
123.08040	4.9
123.11649	3.8
125.09597	10.3
127.03823	0.9
128.06111	0.7
129.06956	9.3
130.07742	3.5
131.08537	47.0
133.04958	5.3
133.10101	34.2
135.08023	13.7
135.11673	6.1
137.09560	3.6
142.07707	0.6
143.08533	20.2
144.09306	9.3
145.10092	24.3
147.11658	16.7
149.09589	3.8
149.13240	11.7
151.11163	0.8
153.09073	1.6
156.09312	0.9
157.10059	1.4
158.10876	26.5
159.07895	0.8
159.11655	0.8
160.12424	1.4
161.09563	1.0
163.14755	2.7
165.12727	1.1
171.11664	1.3
173.13214	75.6
175.14781	33.4
185.13176	0.8
189.12726	0.8
191.14265	100.0
193.15886	1.1
209.15329	16.7
227.14296	0.7
233.15312	0.9
270.90646	0.8
276.35458	0.6
295.09830	0.7
305.17377	7.6
323.18399	5.5
371.20459	0.9
485.23816	5.7
503.24908	2.6
515.11475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43511	1.0
53.03930	1.4
54.25715	1.0
55.01855	1.1
55.05517	8.5
55.05722	0.9
55.46986	1.1
57.03432	16.0
57.07068	2.6
59.04990	2.9
61.02908	1.5
64.33511	1.2
67.05495	5.7
69.03420	41.6
69.07061	9.5
71.04983	9.1
73.02917	1.7
78.43420	1.0
79.05495	8.9
81.03423	2.0
81.07045	20.8
83.04946	4.1
83.08585	9.2
85.02900	29.6
85.06525	4.8
87.04456	22.5
89.95126	1.1
91.05470	14.1
93.07019	21.0
95.04960	49.4
95.08589	19.6
97.02875	26.6
97.06518	26.8
99.04456	15.5
99.08077	6.6
105.07021	37.1
107.08587	41.3
109.02859	1.2
109.06512	29.1
109.10123	11.8
111.08076	4.7
113.09621	1.2
115.03912	17.6
115.05396	1.5
115.07567	1.9
117.06969	2.3
119.04919	2.6
119.08572	23.0
120.08891	1.2
121.06490	6.4
121.10128	31.2
122.03623	2.0
123.08036	9.0
123.11687	6.1
125.09637	2.4
127.03899	4.8
127.07584	1.5
131.08533	19.8
133.04947	13.2
133.06516	1.6
133.10114	61.5
135.08046	14.4
135.11691	8.7
137.05966	57.0
137.09601	2.3
139.11176	2.3
143.08565	2.2
145.04980	2.6
145.06387	1.7
145.10150	10.1
147.04399	13.1
147.08069	2.0
147.11678	38.2
149.09592	12.5
149.13235	10.4
151.11142	8.8
153.09085	35.5
158.10930	2.3
159.08102	1.6
159.11678	1.3
161.05998	7.7
161.13181	1.8
162.06689	1.8
163.14771	8.5
165.12747	8.2
171.10153	2.6
171.11559	1.3
173.13232	36.7
175.07516	11.6
187.07451	2.0
191.08691	2.0
191.14273	53.8
209.11800	6.4
209.15347	73.4
219.08028	4.4
227.16394	100.0
231.07875	1.6
247.07526	1.6
251.10645	5.3
259.08075	1.1
279.10107	5.0
291.10089	1.4
311.12726	8.0
323.12894	1.5
329.13797	1.9
341.13785	4.1
375.90375	1.3
389.21555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79499	0.8
53.00281	1.0
55.01843	1.2
55.05505	1.9
57.03423	18.1
57.07059	1.6
57.79068	0.7
59.04972	3.6
61.02912	1.9
61.76444	0.9
66.28358	0.7
67.05489	3.2
69.03411	51.3
69.07054	3.3
71.04973	3.9
73.02895	1.0
75.04456	1.1
79.05459	3.9
81.03399	4.5
81.07047	7.5
83.04975	2.0
83.59412	0.9
85.02884	37.4
85.06539	1.4
87.04446	27.3
91.05435	6.2
93.07005	10.4
94.04174	1.1
95.04942	6.1
95.08573	4.9
96.18649	1.0
97.02868	35.8
97.06511	9.3
97.36314	0.8
99.04446	1.8
105.07018	14.4
107.04923	1.3
107.08562	9.4
109.02866	1.6
109.06491	18.2
109.10149	7.5
113.05989	0.9
115.03902	26.1
115.07593	1.3
117.06978	2.1
119.08563	9.2
121.06463	6.7
121.10131	11.4
122.03632	1.8
123.07997	2.0
125.05904	1.1
127.03887	1.2
129.07001	0.9
131.04938	1.4
131.08553	9.3
133.02829	1.1
133.04947	18.5
133.06439	2.4
133.10089	26.4
135.08035	5.8
135.11638	1.4
137.05951	53.9
137.09589	1.4
145.04921	1.7
145.06476	1.7
145.10104	3.5
146.07233	1.0
147.04401	3.7
147.07997	6.2
147.11652	14.2
147.52792	0.8
149.05956	4.7
149.09554	2.0
149.13168	3.1
150.07631	1.2
151.07513	5.0
151.11137	3.2
153.05446	2.2
153.09050	6.0
158.10878	1.3
159.08002	1.8
161.05943	10.5
162.06662	7.0
163.07535	5.8
163.14832	3.6
165.05441	3.5
165.09087	2.0
165.12750	1.2
166.06221	6.2
167.06984	3.6
168.07751	11.5
173.13234	12.2
175.07471	13.3
177.09102	6.1
178.09843	18.2
179.06976	7.9
179.10567	1.5
181.08560	29.6
187.07559	5.1
190.09782	8.8
191.07024	1.6
191.08591	1.6
191.14255	18.7
193.08524	1.8
194.09340	21.5
199.07564	1.5
200.15086	1.2
202.09839	3.8
205.08597	1.4
206.09354	1.9
207.10199	1.1
208.10945	1.5
209.11687	100.0
209.15236	25.6
212.10420	1.4
218.09352	3.7
219.07980	3.9
221.11694	13.3
223.13237	1.4
227.12770	41.4
227.16287	25.0
233.11818	4.2
237.11215	6.8
247.07553	4.1
249.14275	1.0
251.10568	4.3
251.12741	3.6
259.07770	1.2
279.10092	5.3
291.09821	1.3
293.13779	2.0
295.10303	1.8
311.12711	9.5
323.12552	1.1
329.14050	1.4
341.13687	3.5
353.15558	1.1
508.87344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01877	1.0
55.05490	1.1
57.03425	16.0
59.04979	4.9
59.27030	0.7
60.04511	0.9
69.03414	50.7
69.07054	1.2
71.04957	3.7
75.04457	1.4
79.05466	4.5
81.03382	4.2
81.07040	6.5
83.04974	1.7
83.08608	1.0
85.02885	35.4
85.06530	1.9
87.04444	25.5
91.05450	5.1
92.65118	0.7
93.07020	11.6
93.92731	0.7
94.81831	0.7
95.04940	6.9
95.08586	5.7
97.02863	34.3
97.06508	9.3
99.04419	3.5
99.08075	1.6
103.05431	1.5
105.07007	13.8
107.04933	1.3
107.08559	9.6
109.02859	1.3
109.06493	15.5
109.10153	6.3
111.79457	0.8
115.03907	25.1
115.05428	1.1
115.07545	0.8
117.07002	3.9
119.04914	1.7
119.08549	7.4
121.06486	5.1
121.10118	12.8
122.03627	1.3
123.04433	0.8
123.08031	1.7
123.11646	1.1
125.09607	0.9
127.03891	1.3
129.07024	0.8
131.08542	10.2
133.04930	20.1
133.06482	3.2
133.10104	22.3
135.08020	6.4
135.11676	1.9
137.05949	50.6
137.09586	3.3
145.04936	3.2
145.06485	1.8
145.10101	3.5
147.04414	4.7
147.08014	4.4
147.11650	12.7
149.05957	4.3
149.09639	1.8
149.13242	3.8
150.07581	1.1
151.07541	4.4
151.11145	1.5
153.05426	3.6
153.09053	6.1
157.10301	0.8
158.10875	1.7
159.08026	1.2
161.05945	9.2
161.13203	1.3
162.06734	5.1
163.07494	3.8
163.14809	3.7
165.05452	1.8
166.06262	4.5
167.06985	3.6
168.07770	13.1
173.13206	15.6
175.07495	14.3
176.08302	1.1
177.05463	0.9
177.09088	5.0
178.09854	20.1
178.11330	1.2
179.07005	8.4
179.10605	1.1
181.08540	31.9
187.07487	4.4
189.09177	1.5
190.09857	8.0
191.06956	0.8
191.08586	1.4
191.10643	1.1
191.14276	16.4
193.08586	1.6
194.09332	21.5
199.07486	1.3
202.09868	3.8
203.06839	1.2
205.08527	3.2
206.09264	1.0
207.10162	1.1
209.11688	100.0
209.15240	22.3
212.10277	2.8
218.07401	0.9
218.09360	1.6
219.08041	4.5
221.11667	14.5
223.13274	1.8
227.12747	38.7
227.16293	22.7
231.07968	1.0
233.11661	4.5
234.04121	0.9
237.11214	4.5
239.12776	1.7
247.07478	0.9
251.10544	4.5
251.12817	4.2
264.07773	1.0
277.08719	1.0
279.10223	2.8
291.10031	1.6
293.13849	3.2
295.10074	3.5
302.19843	0.9
305.13867	1.8
311.12701	8.7
313.05646	0.7
323.12320	1.0
335.14752	1.7
341.13882	2.8
353.15509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05484	1.6
57.03428	3.4
59.04967	1.6
61.02888	0.5
67.05472	1.7
69.03072	0.6
69.03415	11.3
69.07051	5.2
71.04970	1.6
73.02880	0.5
75.04463	0.5
77.03939	0.4
79.05465	4.1
81.03383	0.6
81.06662	0.4
81.07035	5.8
83.04963	0.8
83.08588	0.8
85.02888	6.3
85.06512	0.8
87.04453	4.6
91.05449	3.7
93.07024	5.6
95.04928	4.0
95.08581	4.3
97.02875	5.8
97.06497	1.7
99.04429	5.4
103.05486	0.4
103.40115	0.4
105.07004	3.3
107.04919	0.9
107.08569	16.5
109.02903	0.5
109.06475	2.4
109.10133	1.8
115.03905	5.5
115.05441	0.6
117.06991	1.7
119.04913	0.4
119.08566	4.6
121.06464	5.1
121.10110	6.9
123.08008	2.4
123.11676	0.7
125.05953	1.4
125.09571	0.7
129.06972	0.7
131.08530	4.5
133.02817	0.8
133.04929	4.9
133.10126	5.2
134.07219	0.6
135.08034	4.8
135.11644	3.0
136.05144	0.5
137.05939	1.5
137.09587	1.4
139.11142	0.5
143.08513	0.5
145.06471	0.7
145.10083	1.9
146.07239	0.9
147.04384	3.0
147.08032	2.6
147.11693	5.6
148.60254	0.4
149.05956	2.0
149.09573	3.0
149.13222	4.1
151.03877	0.6
151.07504	5.0
151.11191	0.6
153.05479	3.5
153.09074	2.1
154.06223	0.5
158.10832	0.5
161.05925	0.8
161.09552	0.5
161.13196	2.6
162.06686	3.6
163.07454	4.1
163.11163	0.5
163.14825	2.8
164.08211	0.5
165.05435	3.4
166.06215	7.1
168.07790	10.4
173.13219	8.2
175.14719	0.8
177.09032	4.5
178.09854	18.6
179.06999	7.5
179.10611	0.7
179.14262	12.3
179.15744	0.7
181.08551	28.3
185.13396	0.4
189.12737	0.5
191.12531	0.5
191.14261	12.1
194.07576	0.8
194.09351	23.3
209.11690	100.0
209.15262	7.5
227.16473	3.4
295.09909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.1
55.01859	0.7
55.05496	0.4
57.03439	1.5
57.07065	0.2
59.04959	0.2
67.05493	2.0
68.62073	0.1
69.03419	4.1
69.07056	1.2
71.04962	0.3
73.02905	0.2
73.48620	0.1
75.04469	0.2
75.36448	0.1
76.86060	0.1
79.05474	1.3
81.03378	0.6
81.07034	2.8
83.04945	0.2
83.08598	0.4
85.02892	3.7
85.06514	0.7
87.04449	1.7
91.05442	1.1
92.08941	0.2
93.07006	1.5
95.04945	1.2
95.08591	2.2
97.02874	2.6
97.06524	0.4
99.04412	0.3
99.08066	0.2
103.05461	0.3
105.03369	0.2
105.07000	1.5
106.06541	0.6
107.07340	0.2
107.08574	1.6
107.24376	0.1
108.08869	0.3
109.02872	0.6
109.06491	0.2
109.10136	1.5
111.08029	0.2
111.11710	0.2
115.03903	1.4
115.05394	0.2
117.03348	0.2
117.07027	0.2
119.08553	1.2
120.08048	0.2
121.06428	0.3
121.10131	1.2
123.04369	0.6
123.07997	0.3
123.11693	1.0
125.09615	0.3
127.03874	0.3
127.11199	0.2
128.06190	0.2
129.06940	0.3
131.04857	0.3
131.08571	0.7
133.04964	1.0
133.06349	0.2
133.10092	1.4
134.06026	0.2
135.07996	0.3
135.11667	1.0
136.07545	0.6
137.05972	0.6
137.09563	0.3
141.06902	0.2
143.08530	0.8
144.77257	0.2
145.02791	0.7
145.04768	0.2
145.08948	0.2
145.10092	1.0
147.04341	0.2
147.11621	0.7
149.09550	0.2
149.13266	0.6
153.06976	1.5
153.09071	0.2
154.06393	0.2
155.07304	0.3
155.08496	2.0
157.06514	0.3
159.08104	0.2
159.11673	0.6
160.11203	0.2
161.05949	1.0
161.13223	0.2
162.05457	0.2
163.14787	0.4
165.07057	0.2
165.12708	0.2
168.05681	0.3
170.09605	1.3
171.08026	0.8
173.06000	0.2
173.13228	0.3
175.14876	0.2
176.06978	2.1
177.05467	0.2
178.04845	0.3
180.08083	0.3
181.06482	1.2
181.10124	0.8
183.06744	0.9
183.08072	0.6
184.05177	0.3
184.07515	0.2
187.07542	0.5
188.10611	0.6
191.14217	1.6
197.08348	0.2
198.09123	4.5
199.07545	1.5
200.07080	0.3
201.07681	0.6
201.16287	0.4
202.08600	0.2
208.07561	0.2
209.05991	0.2
209.09619	0.4
209.15340	2.5
211.06293	0.3
214.05005	0.8
216.10191	2.8
226.08565	1.8
227.07013	0.3
227.16386	2.6
228.06648	0.2
229.07224	1.6
244.09639	100.0
245.10020	0.4
323.21677	0.2
406.14905	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	537.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01854	4.7
55.05487	6.3
56.73296	0.8
57.03417	5.8
59.04961	1.1
59.46402	0.7
61.02906	9.4
63.93873	0.8
64.86980	0.9
65.03921	1.1
67.05483	16.4
68.54206	0.8
69.03059	1.4
69.03409	22.7
69.07046	4.5
69.42490	0.7
70.20161	0.8
71.04970	3.6
73.02887	1.6
79.05470	22.9
81.03395	10.7
81.07030	35.6
83.04932	1.0
83.08585	5.1
85.02884	77.8
85.06535	1.4
87.04422	3.5
91.03919	1.5
91.05445	21.5
92.09403	1.5
93.07016	37.3
95.04938	4.0
95.08576	24.8
97.02863	24.1
97.06504	1.7
97.10101	1.2
99.04431	3.9
103.05471	1.0
105.06353	1.7
105.07005	32.9
107.04942	1.9
107.08568	34.3
109.02881	6.4
109.06530	3.2
109.10138	15.2
111.04420	5.4
115.05437	1.1
115.77340	1.0
117.06982	10.6
119.08546	23.8
121.06474	4.4
121.10120	25.8
123.08025	1.0
123.11684	3.5
125.05934	11.2
127.03883	11.8
128.06186	1.8
129.06981	9.3
131.04930	1.1
131.08536	27.0
133.10098	21.6
135.08020	1.6
135.11668	37.2
137.05893	3.1
139.07394	1.0
141.06956	1.6
142.07732	1.5
143.08531	16.5
144.09344	1.8
145.02800	1.1
145.04912	9.4
145.06491	1.9
145.10091	29.0
147.08058	1.5
147.11658	15.1
149.05931	1.4
149.09579	1.8
149.13242	7.2
151.07494	1.6
151.11154	1.3
153.05461	3.6
155.07094	1.5
155.08543	7.5
156.09367	1.1
157.10094	15.0
159.08037	1.8
159.11653	19.2
161.09561	2.0
161.13216	17.9
163.05925	1.1
163.07495	2.1
163.11188	2.2
163.14784	1.7
167.08490	2.0
168.09343	1.6
169.10086	8.0
171.08029	3.5
171.11652	12.0
173.13205	7.4
175.07573	3.0
175.14737	2.1
177.05446	1.7
177.09088	6.4
178.55013	0.9
181.10081	4.1
183.11674	10.0
185.13205	20.4
187.07454	1.2
187.11203	4.0
187.14795	10.6
189.09096	5.5
189.12602	1.0
189.16342	3.7
191.10580	1.1
193.12241	1.1
195.11676	4.8
197.13242	11.8
199.14787	5.0
201.12642	1.1
201.16444	8.5
205.12180	6.5
209.13208	4.2
211.11208	1.3
211.14693	9.2
213.12776	6.3
213.16333	7.0
215.17886	5.8
217.12173	1.8
223.14786	5.3
225.16393	2.2
227.14194	1.0
229.12137	5.0
231.13736	14.4
237.16232	4.5
239.14340	1.9
239.17903	2.0
243.13771	3.9
251.17938	2.2
257.15286	8.1
265.19467	1.6
271.16833	2.0
277.19379	1.8
279.20941	7.8
283.16891	1.5
283.23950	1.3
293.19275	1.6
293.22507	17.8
297.18771	1.1
301.15756	1.0
303.20935	1.7
311.23645	6.1
321.22086	19.2
339.23099	100.0
340.23398	1.0
357.24075	35.5
375.25232	18.7
536.29297	1.0
537.29150	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	537.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89293	0.7
53.03938	2.1
54.95394	0.7
55.01860	4.2
55.05503	7.9
57.03428	6.7
57.07066	2.0
59.04986	1.6
59.94550	0.8
61.02910	7.1
67.05489	16.4
69.03418	25.4
69.07050	7.9
71.04974	10.6
73.02897	2.2
79.05482	18.4
81.03410	11.3
81.07034	36.7
83.01287	1.1
83.04977	5.3
83.08602	7.3
85.02892	55.7
85.06541	1.7
86.09679	1.0
86.29683	1.0
87.04441	4.1
91.03937	1.4
91.05451	22.1
93.07023	30.3
94.04156	1.3
95.04966	6.3
95.08579	27.2
96.08902	1.0
97.02870	21.9
97.06508	2.1
99.04440	3.6
99.08082	4.5
103.05450	8.4
105.07011	43.8
105.20044	0.9
107.04932	3.8
107.08572	30.0
109.02839	7.0
109.06504	7.4
109.10149	20.9
110.10474	1.2
111.04454	2.2
111.08053	2.4
115.03893	1.4
115.05450	3.8
117.07011	11.2
119.04898	1.9
119.08563	30.7
120.08056	1.3
120.08842	1.3
121.06485	4.5
121.10117	20.3
122.03625	5.2
122.10569	1.0
123.08060	4.5
123.11681	6.9
125.05996	1.8
125.09612	5.5
127.03924	11.3
127.07505	1.6
127.11232	1.0
128.06198	5.5
129.06915	9.1
131.04890	19.2
131.08533	23.0
132.05663	4.3
133.02887	2.2
133.04959	1.1
133.06476	3.8
133.10106	42.7
134.10414	1.7
135.08043	4.0
135.11668	19.7
136.12057	2.3
136.50310	1.0
137.05957	100.0
137.09639	4.0
138.05484	2.4
141.06953	1.8
143.08565	12.7
143.10770	1.1
145.04962	5.3
145.06490	3.8
145.10097	21.5
147.04367	1.4
147.08028	11.7
147.11664	19.3
149.05945	2.3
149.09589	1.4
149.13263	10.4
151.07506	4.0
151.11177	4.1
153.05461	1.4
155.08510	4.0
156.09421	1.1
157.06517	1.8
157.10085	8.2
159.08038	5.7
159.11673	15.2
160.05182	6.0
161.05936	9.7
161.13226	13.4
163.07515	18.5
163.11163	2.3
163.14799	4.9
166.04987	2.1
169.10086	4.6
171.08084	4.4
171.11635	6.8
173.13225	5.4
175.07513	56.4
175.14780	11.4
177.09103	11.9
181.10020	1.8
183.11671	6.6
185.09586	1.4
185.13229	8.3
187.07515	7.0
187.14803	5.2
189.09102	4.7
191.08484	4.1
191.10658	1.8
191.14229	1.1
193.04919	15.5
193.08595	4.8
193.15903	2.3
195.11639	2.0
197.13289	5.1
199.07510	8.0
199.11130	1.3
199.14792	6.3
201.09053	1.3
201.12788	1.7
201.16318	9.5
203.08614	4.3
203.10625	2.0
207.13809	1.3
209.13365	1.7
211.11084	3.8
211.14810	4.4
211.16931	7.9
212.17282	4.6
213.12779	1.2
213.16380	6.4
215.10754	1.7
215.17938	2.3
217.12207	5.5
219.08119	7.1
219.17407	7.7
220.08661	1.5
221.07991	1.3
225.12775	1.3
227.17940	1.3
229.12271	7.3
231.08078	5.2
231.13730	5.6
243.13786	5.1
247.07536	5.5
248.08253	1.9
249.14705	1.7
251.10657	11.0
253.19328	1.3
257.15289	5.3
259.07574	2.1
263.10611	2.0
264.07883	1.2
277.08328	1.2
279.10132	6.6
279.20987	4.4
291.10135	5.5
292.10864	1.6
293.22684	8.3
311.12744	15.4
311.23645	3.6
321.21799	9.7
323.12735	9.8
325.14133	4.0
339.23053	62.9
341.13953	1.3
357.17178	5.0
357.24152	81.0
374.23752	1.1
375.25043	10.2
503.18396	1.3
536.28693	1.4
537.29395	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	537.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05490	0.6
56.96551	1.1
57.03422	3.5
57.07070	4.9
57.51536	0.6
59.04992	9.3
60.05327	0.5
65.03916	1.1
67.05138	0.9
67.05492	21.9
68.05827	2.4
69.03072	0.7
69.03419	13.9
69.07039	0.9
70.03735	0.8
71.04980	15.8
72.05325	0.7
79.05469	1.2
81.07040	2.9
83.04951	1.0
85.06525	18.0
86.06879	1.3
87.04443	4.0
91.05477	1.4
92.08723	1.7
92.09326	1.2
93.07025	3.4
95.04951	30.9
95.08591	1.2
96.05289	3.0
105.07023	2.3
107.08579	1.3
113.05991	84.7
114.06323	11.3
118.95216	0.6
119.08556	3.1
121.10130	2.4
131.08620	1.2
133.10127	2.5
139.15814	0.5
145.08592	14.3
145.09833	1.0
145.10086	0.9
146.08942	2.3
147.11699	1.0
159.11606	1.0
175.14792	5.3
176.15123	1.4
177.77089	0.6
339.23065	0.9
357.24213	3.9
358.24551	2.1
371.22049	0.6
375.25159	4.7
376.25668	2.8
382.80734	0.7
464.74957	1.0
520.34644	0.6
537.28143	100.0
538.28418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01854	4.6
55.05499	10.3
57.03421	9.7
61.02911	11.2
62.06076	6.9
66.82231	0.7
67.05489	19.7
69.03412	28.9
69.07055	7.9
71.04978	4.4
73.02894	4.3
79.05468	24.1
81.03394	10.6
81.07037	42.5
83.01315	1.0
83.04956	2.0
83.08622	7.4
83.09029	0.9
85.02888	84.8
86.03218	0.9
87.04442	4.7
87.23425	0.9
90.40036	0.8
91.03940	3.5
91.05453	22.8
91.05978	1.0
92.08694	2.0
92.09280	2.2
93.07020	40.4
95.04942	7.0
95.08582	31.2
97.02870	25.4
97.06515	1.6
98.97541	1.1
99.04433	5.1
99.08054	1.1
101.02386	1.0
105.07013	38.3
107.04935	1.8
107.08568	37.7
109.02842	8.2
109.06488	3.6
109.10141	17.7
110.10446	0.8
111.04390	7.0
111.08043	1.0
115.03903	5.0
117.06982	11.6
119.08565	25.2
120.08884	0.8
121.06487	3.5
121.10122	25.1
123.07999	0.9
123.11694	1.9
125.05982	13.2
127.03895	12.9
128.06181	1.1
129.06979	8.6
131.08537	27.9
133.04973	3.3
133.06490	1.2
133.10101	25.7
135.08031	2.1
135.11664	44.4
136.11909	1.1
137.05946	2.0
137.09575	1.4
139.07581	3.2
141.06966	4.4
142.07788	1.5
143.08546	16.9
145.04918	10.1
145.06429	1.0
145.10100	26.1
147.08072	1.8
147.11647	17.0
149.05974	1.9
149.09691	1.2
149.13242	5.6
151.11200	1.1
153.05441	4.8
155.07112	2.0
155.08524	8.4
157.10088	16.0
159.08023	1.1
159.11649	23.4
161.09628	1.9
161.13213	14.7
163.06021	0.9
163.07495	3.9
163.11176	1.2
163.14772	1.6
165.06958	1.2
169.10059	9.0
171.08040	1.6
171.11681	11.2
173.13216	8.2
175.07512	3.6
175.11107	1.4
175.14716	1.7
177.09108	5.3
177.16365	1.0
181.10120	3.9
182.10936	1.1
183.11610	9.8
185.13208	18.0
187.07466	1.0
187.11137	3.9
187.14752	11.8
189.09167	3.6
189.12749	1.4
189.16290	9.7
190.16756	3.9
191.10692	1.2
195.11707	2.0
197.09633	1.1
197.13268	10.2
199.11119	1.2
199.14821	8.5
201.16393	6.1
203.10641	3.8
203.14206	1.0
205.12248	4.9
205.21809	0.9
207.11777	1.1
207.17322	1.8
209.13240	4.4
211.14777	8.8
213.12691	5.1
213.16370	4.8
215.17876	5.4
217.12224	4.4
221.13309	1.2
223.14789	4.3
225.12744	1.9
225.16324	3.4
225.18391	1.8
226.18829	1.7
227.17915	1.9
229.12187	4.6
229.15804	1.8
231.13716	15.3
237.16324	5.0
238.17981	4.6
239.14240	4.3
239.18114	3.5
243.13760	5.0
245.15318	1.7
249.16263	1.7
251.17999	1.9
257.15256	9.8
265.19449	1.3
277.19470	3.4
279.20956	9.0
283.16910	1.8
291.21072	1.0
293.22574	19.1
311.20340	1.7
311.23682	5.2
320.26025	1.0
321.22083	19.4
339.23117	100.0
357.24158	33.9
375.25247	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60769	0.2
64.09467	0.3
66.85423	0.3
68.35354	0.3
76.28403	0.3
92.09155	2.1
95.08602	0.4
100.74418	0.3
158.17784	0.3
167.06769	0.6
252.17239	0.4
294.80557	0.3
393.20126	3.5
537.28101	100.0
538.28888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63174	0.5
58.57472	0.4
60.45210	0.4
64.36458	0.4
67.05495	0.9
69.03396	0.8
83.08665	0.6
91.05441	1.0
93.07014	0.6
95.04976	0.8
104.10725	0.9
105.06995	0.8
107.08602	0.7
108.27988	0.5
113.05970	1.0
119.08578	0.9
131.08510	0.6
135.11691	0.5
150.74936	0.5
165.94878	0.6
175.07477	0.8
189.61479	0.5
219.98190	0.5
290.95538	0.5
350.81787	0.5
491.24390	0.6
496.30771	0.8
537.28125	100.0
538.28534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.8
57.07055	5.9
59.04988	19.6
67.05495	36.7
67.11212	1.1
68.05825	5.2
69.03416	72.0
70.03739	6.3
71.04972	27.1
73.06532	1.7
79.05468	3.0
81.07061	2.3
83.04960	5.8
83.08610	1.3
85.06528	26.7
85.19244	1.2
86.06863	3.2
87.04462	7.5
91.05462	1.4
93.07008	5.9
95.04946	33.6
95.08591	7.5
96.05298	3.2
99.08071	1.8
101.06002	2.0
101.41140	1.2
102.19239	1.4
105.07035	7.7
107.08592	6.8
109.06532	2.3
109.10130	3.3
112.17902	1.2
113.05990	96.2
114.06331	17.1
115.06411	1.6
119.08536	5.8
121.10116	5.8
122.10406	1.6
127.07551	5.3
133.10162	2.1
135.11691	3.0
142.01866	1.5
145.08574	37.8
145.09811	1.6
145.10176	1.4
146.08960	6.5
147.11652	1.7
157.10123	2.0
159.11719	1.9
171.11577	1.4
174.21207	1.4
185.13330	1.5
189.16438	2.3
264.56668	1.7
339.23004	10.5
340.23499	5.7
357.24411	1.6
358.24521	2.2
375.25357	12.5
376.25601	10.5
537.28162	100.0
538.28021	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	536.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05386	1.4
53.03938	2.2
55.05504	66.3
57.03438	15.5
57.06812	2.0
57.07069	30.2
61.02912	12.9
67.05493	74.0
69.07053	100.0
71.04956	3.5
71.08617	18.2
76.56570	1.6
79.05473	31.7
81.07041	82.5
83.08604	75.7
85.02902	13.0
85.06536	2.7
85.10168	8.3
86.43385	1.5
91.03931	3.1
91.05397	1.9
92.90971	1.7
93.07021	47.7
95.08584	81.6
97.02869	7.8
97.06493	16.8
97.10155	42.2
107.08573	37.4
109.10146	37.7
111.08077	11.5
111.11686	11.7
121.10118	59.1
123.11713	12.7
125.09599	3.0
135.11664	51.2
137.13261	3.7
148.24921	1.5
149.13235	19.6
151.14778	6.2
153.12704	3.2
157.12149	2.2
163.14777	9.7
165.16357	6.1
177.16359	2.2
211.25578	1.6
215.93649	1.8
247.24161	39.3
265.25201	83.3
283.26334	12.3
339.24789	3.7
339.28888	97.8
357.29947	35.3
410.26431	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	536.358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	4.7
58.13428	2.4
59.04998	20.1
67.05488	34.8
69.03416	88.0
69.07030	3.2
71.04977	18.3
77.02649	2.1
79.05488	3.3
81.07029	12.8
83.04959	2.6
85.06519	22.3
87.04454	4.3
91.05443	3.9
92.08668	5.7
93.07023	12.5
95.04947	45.4
95.08576	13.0
96.05287	2.9
97.06518	3.0
105.06998	12.9
107.08585	10.8
109.10123	3.0
113.05988	100.0
114.06323	3.5
119.08552	14.7
121.10110	11.4
131.08562	3.5
133.10094	5.6
135.11644	5.5
145.08598	28.9
145.10153	4.0
147.11708	6.1
159.11717	4.9
161.13199	3.5
173.13306	3.1
175.14803	12.8
176.15031	3.4
184.07179	2.7
185.13194	3.2
187.14684	3.0
189.12698	3.3
211.14848	3.1
219.33829	2.9
230.24785	6.5
231.25160	3.7
339.23056	10.7
355.22696	2.8
357.24100	5.3
360.91956	2.9
374.23904	3.0
375.25107	17.3
385.85721	3.0
471.14166	3.3
495.30588	5.6
501.31934	4.3
536.17828	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	536.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66071	1.1
52.91643	1.1
55.01865	2.3
55.05506	65.0
57.03428	14.1
57.07068	30.4
59.04983	1.2
59.40251	1.1
61.02919	15.1
67.05141	2.1
67.05490	63.6
69.03418	2.0
69.07053	100.0
71.04967	5.7
71.08616	18.5
73.02894	2.5
74.44460	1.2
75.04453	2.8
79.05479	25.9
81.03403	1.3
81.07038	72.2
83.04951	1.3
83.08109	2.8
83.08602	68.9
85.02879	11.8
85.06538	6.5
85.10159	10.7
91.03925	2.6
91.05445	2.7
92.09254	1.3
93.07022	39.6
95.08582	88.6
97.02852	6.0
97.06512	13.4
97.10146	49.3
107.08581	26.3
109.10143	40.9
111.08078	9.2
111.11699	14.4
113.05974	1.1
113.09675	2.0
121.10121	53.0
123.10916	1.1
123.11684	12.2
125.09583	2.6
125.13212	1.6
127.03871	1.1
129.09157	1.4
135.11671	40.4
137.13228	5.3
139.11191	1.5
149.13235	17.7
151.14827	6.9
153.12720	1.4
163.14767	7.6
165.16330	5.8
172.53928	1.2
177.16385	2.6
183.19566	1.2
225.74335	1.2
244.79729	1.3
247.24162	32.6
255.78928	1.2
265.22318	2.3
265.25195	79.6
283.26175	11.1
339.28873	85.8
345.06122	1.2
357.29868	35.4
513.95618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90254	2.0
55.05499	3.1
57.03432	4.9
57.07063	4.7
59.04981	11.5
59.69671	2.1
60.91125	1.9
67.05490	34.0
68.18446	1.8
68.26998	1.9
69.03399	13.0
69.07050	14.5
69.67309	1.7
71.04977	24.9
79.05450	18.4
79.20667	1.9
81.07043	35.0
81.85857	2.2
83.04974	5.2
83.08598	8.2
85.06520	28.8
87.04430	4.1
91.05450	15.6
92.09097	5.8
93.07021	43.7
95.04945	34.9
95.08585	38.7
97.06520	2.9
99.04442	3.0
101.05949	2.2
105.07018	41.6
107.08575	50.6
109.06514	8.2
109.10135	17.4
113.05995	84.0
113.50793	2.0
117.06973	2.8
119.08558	100.0
121.06487	3.8
121.10128	72.2
123.08070	3.1
123.11679	10.3
125.09593	2.4
129.07036	2.6
131.08553	27.0
131.14084	2.3
133.10106	55.5
134.47154	2.2
135.08069	4.1
135.11668	53.2
137.09651	2.8
139.07495	2.5
143.08560	16.8
144.09319	2.4
145.08665	17.7
145.10077	36.5
147.08047	4.6
147.11661	31.7
149.09674	3.3
149.13269	4.6
155.08499	4.2
156.09306	2.8
157.10120	26.0
159.11664	41.9
161.09517	3.7
161.13214	44.4
163.11165	4.1
163.14772	30.2
165.12714	3.9
169.10162	8.1
171.11688	23.6
173.09514	3.6
173.13243	36.8
175.11133	10.8
175.14799	67.2
177.09074	2.3
179.14285	12.9
183.11642	8.8
185.09601	2.9
185.13216	19.3
187.11157	5.2
187.14763	13.9
189.12752	10.9
189.16255	3.6
191.14214	16.0
193.15849	28.7
195.11633	3.3
197.13240	9.8
199.11183	2.9
199.14821	14.4
201.12724	8.3
201.16371	5.2
203.10625	3.2
203.14342	9.5
205.12288	2.3
205.15714	2.6
207.13811	14.7
211.14865	4.8
213.16397	4.1
215.10698	2.5
215.14323	10.4
217.15900	14.7
231.17386	3.8
243.13733	2.7
245.15292	4.8
255.21072	12.6
257.15167	3.6
263.16223	3.0
277.19385	2.7
279.21060	14.4
309.16931	3.9
321.22055	4.8
339.23175	53.3
357.24207	25.8
375.25259	52.7
377.24561	3.1
408.36136	2.3
419.29443	4.8
437.30399	10.0
465.30139	15.6
483.31036	46.6
495.30670	10.2
501.32123	64.9
536.35565	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	536.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.96557	1.2
57.03419	3.5
57.07071	6.7
59.04714	0.7
59.04993	11.4
62.98512	0.4
63.67597	0.5
65.03919	1.0
67.05141	1.0
67.05493	28.7
68.05802	0.5
69.03068	0.8
69.03414	15.9
69.07047	0.9
71.04972	19.4
73.06528	0.5
79.05458	0.6
81.07028	3.6
83.04977	1.2
83.08596	0.5
85.06525	22.8
87.04448	6.0
91.05447	2.7
92.09001	1.2
93.07008	4.0
95.04947	40.4
95.08598	2.7
101.05963	0.7
101.75478	0.6
104.10759	0.8
105.07018	3.4
107.08575	3.1
109.10143	1.2
113.05986	100.0
114.06296	1.0
119.08572	3.2
121.10103	1.2
131.08557	1.2
133.09181	0.5
133.10104	3.3
135.11668	0.9
143.00098	0.6
145.08572	23.0
145.10057	0.9
147.11664	2.3
150.61217	0.5
159.11650	1.1
161.01144	0.8
161.13370	0.7
162.11208	0.6
175.14787	6.2
184.07234	0.9
185.13222	0.7
187.02791	1.1
339.23135	2.5
357.24152	7.8
375.25186	8.3
464.24857	2.9
464.75229	2.6
475.64380	0.6
537.28229	3.1
538.28363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.32577	0.4
55.01857	0.8
55.05501	2.2
55.29556	0.4
55.61436	0.4
57.03436	5.5
59.04980	3.4
63.44127	0.5
65.03949	0.5
67.05473	1.1
69.03414	24.4
72.13117	0.5
75.04454	0.7
79.05476	8.7
81.03391	1.3
81.07021	1.1
83.04984	0.9
85.02888	19.5
87.04453	7.6
91.05467	13.2
93.07023	24.7
95.04948	2.4
95.08573	6.5
96.62038	0.6
97.02866	12.4
97.06525	1.2
105.03374	3.6
105.07011	16.7
107.04921	0.7
107.08578	100.0
109.06497	4.5
109.10125	1.0
111.08060	0.6
115.03925	5.9
116.06197	0.7
117.03354	1.2
117.06979	0.8
119.06058	0.6
119.08563	8.9
121.06477	3.3
121.10110	15.9
122.94730	0.6
123.08057	2.2
123.11690	1.1
127.03876	2.2
127.07534	3.4
129.06979	2.3
131.08542	89.1
133.04961	6.3
133.10150	0.9
135.08025	0.8
137.05969	1.0
137.09593	6.7
143.08592	0.6
145.02835	5.2
145.04930	0.8
145.10135	4.0
147.04413	3.0
147.08026	0.9
147.11661	22.6
149.05978	0.8
149.09599	21.2
151.07553	1.0
156.09305	2.2
161.13252	2.7
165.12769	2.2
167.10634	0.8
171.11670	3.4
177.05417	8.7
189.12701	49.5
207.13766	38.0
225.14684	0.6
339.18082	1.2
352.00848	0.6
369.19006	4.3
547.89063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01851	1.8
55.05489	2.1
57.03428	4.5
57.22782	0.5
59.04983	0.6
60.53762	0.4
61.02914	0.7
63.02349	0.4
67.05492	1.8
69.03415	11.7
69.07044	1.2
71.04977	0.9
73.02898	0.8
79.05465	2.9
81.03396	7.9
81.07045	4.6
83.04961	2.3
85.02888	19.9
87.04469	4.1
89.03898	4.1
91.05450	8.5
93.07035	3.9
95.04938	2.6
95.08566	1.8
97.02869	8.4
97.06556	0.6
98.97539	0.6
99.04430	2.5
103.05457	1.0
105.07010	12.8
107.04940	1.2
107.08595	4.3
109.02834	2.0
109.06550	1.8
109.10155	1.2
111.04420	0.6
111.08080	0.5
115.03892	3.9
117.03357	18.2
117.06976	3.6
119.04889	2.9
119.08559	17.1
121.06465	3.4
121.10115	4.8
123.08062	2.1
123.11679	4.7
125.05972	0.8
127.03911	1.9
128.06195	0.7
129.06961	0.9
130.07733	0.6
131.04893	1.1
131.08585	3.7
133.04936	3.1
133.06445	1.8
133.10115	6.6
134.03581	0.6
135.04369	2.6
135.08043	2.7
135.11691	1.9
137.05951	2.3
137.09612	0.7
141.06978	1.0
142.07724	0.8
143.08546	2.7
145.02829	60.8
145.04788	1.7
145.06456	2.6
145.10152	3.6
146.03174	1.2
147.04375	7.2
147.08015	7.0
147.11676	4.1
149.05959	8.8
149.09567	2.4
151.07504	0.6
156.09323	4.7
159.08051	3.8
159.11644	2.8
160.08865	0.8
161.09521	0.9
161.13246	5.8
163.03894	6.5
163.07487	1.1
163.11101	0.7
167.06989	1.1
167.10661	1.2
171.11639	2.8
173.05969	1.0
173.09535	1.0
173.13295	0.8
174.10353	3.5
175.03915	0.6
176.03322	0.6
177.05432	100.0
178.05782	2.1
181.04825	0.6
187.11165	0.9
189.05405	0.7
189.12718	15.8
191.07066	0.7
193.04955	0.8
195.06467	2.4
205.08607	0.9
207.06540	2.6
207.13762	6.0
219.06447	0.7
225.14842	2.1
231.13766	0.7
233.08070	1.1
279.08618	1.0
303.08621	0.9
321.09573	2.8
321.16940	3.0
339.10703	8.6
407.34564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72239	0.5
53.00281	1.0
53.03934	1.1
55.01856	1.4
55.05497	4.0
57.03426	31.0
57.07058	0.7
59.04982	5.5
60.04510	0.8
61.02895	2.5
65.47139	0.7
67.05475	3.0
69.03413	85.2
69.07042	3.3
71.04971	10.4
73.02882	3.2
75.04443	3.5
79.05460	3.9
81.03407	5.9
81.07014	5.2
83.04977	5.0
83.08595	5.4
85.02886	57.0
87.04447	42.7
91.05447	3.1
92.08854	3.7
93.07024	5.9
95.04931	5.4
95.08571	7.3
97.02865	59.6
97.06493	3.0
99.04429	57.0
99.05106	1.0
99.08067	1.0
105.07021	10.0
105.98108	0.7
107.04930	7.5
107.08580	19.8
109.02834	2.6
109.06500	5.9
109.10116	5.0
111.04392	2.9
111.08067	3.7
115.03902	47.2
117.06989	1.0
119.08556	15.9
119.79634	0.7
120.08050	1.1
121.06470	3.8
121.10117	13.5
123.08038	100.0
123.11660	1.0
125.05894	0.7
125.09621	1.0
127.03892	3.7
129.09096	4.6
131.08530	3.6
133.04933	38.7
133.06493	4.6
133.10095	4.6
135.08067	2.5
135.11662	4.1
137.05931	3.7
137.09613	5.6
143.08537	1.1
145.02832	1.3
145.04933	4.1
145.10077	3.8
147.08011	5.9
147.11659	18.2
149.02318	1.0
149.09601	14.7
151.07495	4.5
151.11156	11.3
156.09315	0.8
159.11560	1.1
161.05930	17.8
161.09628	0.9
161.13246	5.5
163.05984	1.2
163.07436	0.8
163.11118	6.4
165.09058	1.1
165.12723	8.2
167.06984	3.4
167.10614	4.8
171.11620	3.2
175.07497	2.9
176.08275	45.1
177.05440	5.0
177.08989	3.0
177.30997	0.7
179.07004	0.9
179.14296	0.9
181.12175	6.4
189.12718	9.9
192.07774	3.6
207.10141	32.0
207.13733	32.6
211.09599	1.6
225.14804	85.1
241.06918	1.2
259.08112	3.3
269.91238	0.7
277.09058	1.2
295.10214	1.6
357.19165	1.2
387.20346	0.8
397.42642	0.8
519.24243	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	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63945	0.7
53.03945	0.9
55.01878	1.4
55.05504	5.2
57.03432	14.6
57.07074	1.4
57.50260	0.7
59.04986	4.7
62.93170	0.8
66.24739	0.8
67.05490	5.9
69.03417	47.1
69.07056	2.2
71.01301	1.0
71.04979	4.4
73.02900	1.1
75.04456	1.7
79.05471	5.9
81.03393	4.0
81.07045	8.7
83.04963	7.0
83.08618	1.4
85.02892	36.3
87.04457	28.2
89.92705	1.0
91.05441	8.1
92.08947	1.6
93.07029	10.4
95.04967	6.5
95.08595	10.0
96.08928	0.9
97.02871	31.5
97.06507	4.9
99.04439	13.4
105.03378	1.1
105.07013	13.8
107.04931	10.5
107.08591	14.4
109.02893	2.1
109.06514	11.7
109.10147	6.2
111.04431	1.6
115.03919	28.9
119.04929	1.8
119.08559	16.9
121.06496	2.3
121.10132	16.1
122.36990	1.1
123.08051	100.0
123.11662	3.5
124.08278	1.2
125.05979	1.7
125.09616	1.8
127.03918	1.6
129.06955	1.0
131.08549	4.2
133.04951	19.6
133.06432	2.8
133.10101	7.7
135.07999	1.2
135.11684	3.8
137.05983	5.2
137.09598	5.6
137.13223	1.3
145.02785	1.4
145.04967	2.1
145.10165	6.6
147.08052	1.5
147.11676	11.7
149.06052	1.1
149.09583	8.3
151.03870	1.3
151.07523	21.1
151.11176	3.7
161.05966	1.9
161.09641	1.6
161.13239	5.1
163.11160	22.8
165.12746	7.0
167.10641	7.1
176.08325	8.5
177.05440	1.1
178.04893	1.5
181.12160	6.7
183.13800	1.6
189.12726	8.9
189.16359	8.8
190.06155	1.3
207.10202	9.9
207.13788	30.9
207.17368	1.7
221.08104	4.7
222.08434	1.4
225.11330	11.0
225.14804	41.8
249.14915	1.2
295.10242	1.2
468.77063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63945	0.7
53.03945	0.9
55.01878	1.4
55.05504	5.2
57.03432	14.6
57.07074	1.4
57.50260	0.7
59.04986	4.7
62.93170	0.8
66.24739	0.8
67.05490	5.9
69.03417	47.1
69.07056	2.2
71.01301	1.0
71.04979	4.4
73.02900	1.1
75.04456	1.7
79.05471	5.9
81.03393	4.0
81.07045	8.7
83.04963	7.0
83.08618	1.4
85.02892	36.3
87.04457	28.2
89.92705	1.0
91.05441	8.1
92.08947	1.6
93.07029	10.4
95.04967	6.5
95.08595	10.0
96.08928	0.9
97.02871	31.5
97.06507	4.9
99.04439	13.4
105.03378	1.1
105.07013	13.8
107.04931	10.5
107.08591	14.4
109.02893	2.1
109.06514	11.7
109.10147	6.2
111.04431	1.6
115.03919	28.9
119.04929	1.8
119.08559	16.9
121.06496	2.3
121.10132	16.1
122.36990	1.1
123.08051	100.0
123.11662	3.5
124.08278	1.2
125.05979	1.7
125.09616	1.8
127.03918	1.6
129.06955	1.0
131.08549	4.2
133.04951	19.6
133.06432	2.8
133.10101	7.7
135.07999	1.2
135.11684	3.8
137.05983	5.2
137.09598	5.6
137.13223	1.3
145.02785	1.4
145.04967	2.1
145.10165	6.6
147.08052	1.5
147.11676	11.7
149.06052	1.1
149.09583	8.3
151.03870	1.3
151.07523	21.1
151.11176	3.7
161.05966	1.9
161.09641	1.6
161.13239	5.1
163.11160	22.8
165.12746	7.0
167.10641	7.1
176.08325	8.5
177.05440	1.1
178.04893	1.5
181.12160	6.7
183.13800	1.6
189.12726	8.9
189.16359	8.8
190.06155	1.3
207.10202	9.9
207.13788	30.9
207.17368	1.7
221.08104	4.7
222.08434	1.4
225.11330	11.0
225.14804	41.8
249.14915	1.2
295.10242	1.2
468.77063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05037	0.5
55.01841	0.5
55.05498	1.3
56.77260	0.5
57.03424	6.6
57.07087	0.5
59.04993	1.3
60.04503	0.4
67.05486	1.4
69.03414	20.6
69.07050	0.9
71.04972	1.1
72.24631	0.5
75.04449	1.2
79.05448	0.8
81.03381	1.1
81.07034	2.7
83.04969	3.7
85.02888	15.1
87.04446	11.6
91.05463	2.4
93.07021	1.3
95.04902	1.0
95.08578	6.0
97.02878	14.4
97.06457	1.0
105.07007	3.3
107.08551	4.2
109.06506	3.8
109.10136	8.0
110.10480	2.2
111.04461	0.9
115.03907	11.6
115.05434	0.9
117.07005	0.7
119.08565	4.8
120.08891	0.7
121.06507	3.1
121.10131	6.5
123.08045	100.0
127.03848	0.7
133.04945	8.9
133.06450	4.7
133.10115	3.0
134.10416	0.9
135.08061	0.8
135.11679	7.0
136.11998	2.5
137.09592	2.3
145.04913	0.8
145.10101	0.5
147.04408	0.7
147.08064	2.2
147.11629	0.7
149.05975	1.0
149.09628	3.9
150.07544	0.6
151.07510	4.1
151.11186	3.6
151.14719	0.7
160.05238	0.7
161.05943	22.9
161.13225	0.6
163.07533	2.4
163.11160	1.1
167.10670	3.0
175.07579	4.4
175.14796	1.3
176.08293	72.7
177.05450	4.6
177.09070	5.5
179.10571	0.9
181.08571	0.8
181.12216	5.0
189.12727	1.4
192.07774	4.9
193.15857	3.3
194.16286	1.3
207.10138	53.2
207.13817	5.0
211.16913	4.3
212.17299	1.1
225.14818	23.1
289.20871	0.7
454.33932	0.6
458.34674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
53.17021	0.4
55.01863	3.0
55.05498	0.6
57.03433	7.5
59.04965	0.5
61.02634	0.6
61.02916	10.6
65.31483	0.4
67.05501	0.6
69.03420	27.0
71.04984	3.1
73.02906	4.4
76.51981	0.4
79.05488	2.5
81.03400	9.5
81.07047	0.8
83.01368	0.5
83.04966	0.8
84.04468	0.5
85.02893	100.0
85.06512	0.8
87.04449	3.1
91.03937	3.9
91.05466	2.2
93.07027	1.7
95.04963	0.7
95.08601	1.5
97.02878	30.2
98.06042	0.7
99.04440	3.6
101.02403	0.6
103.03961	0.9
103.04823	0.8
103.05452	10.9
104.06209	0.6
105.07011	6.0
107.04946	16.0
107.08601	1.7
109.02876	8.9
109.06561	0.6
109.10143	0.9
111.04453	0.6
111.08004	0.5
115.03923	2.7
115.05431	0.9
117.07002	1.0
119.08550	2.0
120.05703	0.9
121.06509	1.0
121.10131	0.9
123.08096	0.5
127.03899	18.9
128.32382	0.5
131.04890	3.6
131.08432	0.4
133.04987	0.7
133.06493	0.6
133.10126	1.7
135.04428	0.6
135.08038	13.6
137.06088	0.5
137.09665	1.5
139.03877	6.3
144.06564	2.7
145.04948	21.4
145.10112	0.9
147.04388	0.8
147.11687	1.0
148.05225	0.5
149.09618	1.9
151.07565	0.8
154.06233	68.4
161.06067	0.5
161.13251	1.0
162.07680	0.7
163.03894	1.8
163.06044	8.6
163.07545	40.7
163.11177	0.7
165.12753	2.6
167.07031	2.5
173.13400	0.5
174.03326	0.4
177.05490	0.7
180.07683	3.3
189.12694	1.0
190.06291	2.5
192.55260	0.4
193.08636	0.6
195.10143	79.4
206.05748	0.7
207.13745	4.8
221.08052	10.5
225.14853	1.8
267.48914	0.4
324.12686	0.5
373.23886	0.8
460.55298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60653	0.1
55.05483	0.1
57.03417	0.9
57.33432	0.1
59.04992	0.2
60.04503	0.2
67.82063	0.1
69.03063	0.2
69.03415	3.3
71.60453	0.1
75.04454	0.2
78.13988	0.1
79.05476	0.2
85.02898	1.8
86.84026	0.1
87.04444	1.7
89.03913	0.3
91.05477	1.6
92.63624	0.1
93.07029	0.2
97.02873	1.9
103.05433	0.3
105.07006	1.3
107.04918	0.6
109.06477	0.2
115.03910	1.8
115.05411	1.7
117.06995	1.1
119.08549	0.6
121.06486	2.3
121.10147	0.2
123.04478	0.2
123.08037	4.4
129.03320	0.6
131.04874	1.1
132.05682	1.1
133.04968	1.5
133.06459	7.7
135.08051	0.2
136.05205	0.5
136.08731	0.1
138.06743	0.8
139.07541	0.3
143.04906	0.2
143.06039	0.2
144.05745	0.2
145.06451	2.4
146.07256	2.1
147.08015	3.9
149.05962	2.4
149.09567	0.3
150.07596	1.0
151.06401	0.3
151.07521	4.6
151.08638	0.2
159.04442	0.2
160.05150	1.4
161.05945	35.0
162.06712	1.1
163.03851	0.1
163.07507	3.4
164.08302	1.0
165.09058	0.2
167.10631	0.1
174.06783	0.6
175.07503	6.6
176.08292	100.0
177.05440	5.3
177.09056	5.3
178.09828	0.2
179.07103	0.5
179.10640	1.6
181.08623	0.5
181.12283	0.2
191.07036	0.5
192.07771	6.5
207.10130	74.8
208.10435	0.2
209.11685	0.3
225.14786	1.4
280.22543	0.1
320.17337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96609	0.2
53.03934	0.3
53.65308	0.2
54.83044	0.2
57.03425	0.8
63.02375	0.3
64.33032	0.2
68.89325	0.2
69.03423	2.8
74.96669	0.2
81.03397	4.9
81.07057	0.3
83.04961	0.3
85.02882	3.7
87.04443	0.2
88.96487	0.2
89.03892	3.3
91.05461	1.1
92.09069	0.4
95.04948	0.3
96.33521	0.3
97.02886	1.4
97.86979	0.2
99.04436	0.4
103.05404	0.2
107.08597	0.3
109.02859	2.1
113.74673	0.2
115.03880	0.3
117.03358	15.9
118.42252	0.2
119.04926	1.0
119.08574	0.4
121.10081	0.2
127.03878	0.8
133.06570	0.3
134.03612	1.2
135.04398	1.2
137.09622	1.2
145.02831	63.7
146.03255	0.3
147.04390	2.1
149.05969	7.8
149.09648	0.2
161.13203	0.2
162.02989	0.3
163.03853	1.2
173.05994	0.4
175.03845	0.4
177.05434	100.0
178.05693	0.3
191.07005	0.5
195.06471	1.3
205.08606	0.5
207.06436	1.7
207.13719	0.9
219.28049	0.3
225.07532	0.3
233.08012	0.5
279.08511	1.5
287.71600	0.3
303.08527	1.0
321.09576	3.1
339.07050	0.4
339.10709	7.7
394.29626	0.3
427.86331	0.3
467.27368	0.2
504.08459	0.3
550.19531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.81791	0.3
55.01862	0.4
55.05486	0.3
56.36557	0.2
56.83297	0.2
57.03423	1.2
57.40232	0.2
61.02915	1.7
69.03419	3.5
71.04981	0.5
73.02895	1.0
74.29626	0.2
79.05466	0.4
81.03408	1.8
85.02892	13.4
87.04455	0.5
89.03901	5.1
91.03938	0.6
91.05460	0.6
97.02883	4.6
99.04439	0.6
100.94966	0.3
103.05470	0.4
104.94282	0.2
105.07069	0.3
108.91134	0.2
109.02876	1.4
117.03365	16.5
118.03683	0.5
127.03925	2.1
134.03600	1.4
135.04402	4.6
137.05952	0.5
138.99361	0.3
145.02834	61.7
145.04945	2.7
146.03204	0.5
147.04390	1.1
149.05965	10.4
153.05492	0.5
162.03096	1.1
163.03882	14.1
163.05174	0.5
163.06047	0.6
164.04185	1.8
165.04257	0.3
167.07016	1.2
177.05440	100.0
178.05760	0.4
180.08615	0.4
193.04996	0.6
195.06506	33.0
215.72159	0.3
255.75919	0.3
339.10590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03423	0.3
63.02374	0.2
67.05503	0.3
69.03408	2.6
71.04971	0.2
75.14872	0.2
80.09432	0.1
81.03397	2.6
85.02882	3.3
89.03892	2.8
90.19903	0.2
91.05479	0.3
93.07027	0.2
93.56805	0.2
95.08587	2.5
97.02862	0.7
99.04433	0.4
101.02338	0.3
106.04160	0.2
107.08584	0.4
109.02858	1.0
114.01883	0.2
115.34997	0.2
117.03355	15.4
119.08559	0.4
123.08059	0.7
127.03884	1.4
134.03557	0.3
135.04388	1.0
135.11691	0.4
145.02821	61.5
146.03137	0.3
147.11673	0.3
149.05956	6.4
149.09584	0.9
163.03836	0.7
165.12666	0.2
177.05424	100.0
178.05719	0.2
186.05449	0.3
186.06967	0.2
189.12781	0.3
195.06479	1.8
207.13794	2.5
215.62543	0.2
252.09377	0.2
273.27560	0.2
302.25027	0.2
314.65042	0.2
321.09595	2.0
339.10690	6.2
357.11670	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3262
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
52.64951	0.4
54.06366	0.5
55.05489	1.5
57.03437	5.2
57.03647	0.5
57.07070	7.3
59.04987	7.3
65.03924	1.4
67.05138	1.3
67.05492	34.3
69.03410	17.7
69.07027	0.6
69.27423	0.6
71.04975	31.7
73.06525	0.9
74.64491	0.6
79.05464	3.8
81.07033	7.7
81.61972	0.6
83.04964	3.0
85.06526	40.6
87.04453	4.4
88.63208	0.6
90.73060	0.5
91.05469	4.1
92.63811	0.7
93.07024	5.0
95.04944	32.9
95.08587	3.9
97.06544	0.9
101.06006	1.3
105.07000	6.0
107.08558	5.2
109.06510	3.6
109.10235	0.7
113.05986	100.0
117.06982	1.0
119.08560	3.9
121.10100	2.5
125.05962	16.7
129.06969	0.9
131.08514	4.2
133.10069	2.7
137.05971	0.8
143.08510	2.9
145.08586	17.7
145.10117	5.1
147.11639	2.3
148.84149	0.6
153.05449	13.4
155.07008	8.8
155.08392	1.2
157.10094	2.8
159.11694	4.3
161.13252	0.9
171.11647	1.4
173.13214	1.1
175.14879	1.1
183.11771	0.9
185.13158	1.2
187.14819	1.1
189.16412	0.9
195.11618	1.1
199.14827	1.4
201.16382	7.4
215.17941	0.7
218.21744	0.7
251.17760	1.0
291.34619	0.6
299.46542	0.6
309.22256	1.2
337.21591	7.6
355.22614	24.1
355.26993	0.9
373.23608	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23769	0.4
52.93804	0.4
53.00287	0.9
53.03949	0.6
55.01871	0.7
55.05504	2.7
57.03435	3.9
57.07066	9.2
59.04988	10.7
59.64219	0.5
65.03922	0.8
67.05491	34.8
68.98161	0.5
69.03066	0.9
69.03415	15.7
69.07049	3.4
71.04972	26.4
73.06543	0.5
79.05476	5.4
81.03417	0.6
81.07043	15.6
81.07474	0.8
81.54774	0.6
83.04958	3.8
83.08599	0.7
85.02890	2.2
85.06528	39.4
87.04452	6.8
91.05467	5.7
92.08672	2.2
92.09302	2.2
93.07025	7.2
95.04945	36.6
95.08582	8.5
97.02869	0.5
97.06508	2.2
99.08101	0.6
101.05983	1.1
105.07021	8.2
107.04921	3.1
107.08575	11.2
109.06501	4.4
109.10145	6.1
111.08105	0.8
113.05987	100.0
117.07000	1.3
119.08588	5.2
121.10127	6.2
123.11704	3.3
125.05963	33.3
127.07528	0.6
131.08556	5.3
133.10107	5.4
135.11649	3.2
137.05931	1.0
137.09698	0.6
137.13216	1.0
141.06961	0.6
142.07823	0.8
143.08551	4.4
145.02811	0.8
145.08588	21.1
145.10078	4.7
147.11690	2.6
149.09695	0.6
149.13257	3.4
153.05440	12.0
155.07013	13.1
155.08354	1.2
157.10086	3.7
159.11658	3.9
161.13268	0.8
167.07039	0.7
169.10141	1.0
171.11688	2.2
173.13187	1.2
175.14798	0.6
181.10039	0.8
182.70358	0.6
183.11668	3.2
185.13226	1.3
187.14766	2.2
189.16379	2.4
195.11726	0.7
197.13255	2.7
199.14798	0.8
201.16382	5.7
209.13068	0.7
211.14891	0.7
213.16362	0.6
215.17990	0.8
223.14943	0.6
229.12212	1.2
243.13751	1.3
277.19427	0.6
289.17993	0.6
319.20358	1.1
319.26349	2.2
337.21442	6.5
337.27347	6.2
355.22598	12.3
355.28290	1.2
361.04526	0.6
373.23581	3.9
473.29907	0.7
517.31305	2.3
535.28644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3262
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
50.96224	0.6
54.51955	0.6
55.05499	3.9
57.03423	3.6
59.04991	6.2
60.82387	0.6
67.05479	1.3
69.03434	0.8
71.04961	4.0
77.05998	1.1
79.05482	2.7
80.49290	0.6
81.07036	3.8
83.04967	3.7
85.02436	1.0
85.02889	26.5
85.06541	5.8
87.04452	100.0
88.63258	0.6
91.05451	3.2
93.07029	5.3
95.08571	3.7
99.04420	3.4
105.07014	7.0
106.14967	0.9
107.08584	4.8
109.10161	1.2
111.04408	5.0
119.08559	4.2
121.10124	4.2
125.06020	0.8
129.05469	0.9
129.06979	1.0
131.08502	3.3
133.10103	5.8
135.11676	4.4
139.50807	0.7
143.07001	1.5
143.08572	1.1
144.87424	0.7
145.10115	4.8
147.11665	3.0
149.13248	0.9
157.10100	1.6
159.11633	5.3
161.13268	1.8
169.10202	1.2
173.13205	1.0
183.11662	1.0
185.13168	3.0
213.12761	0.9
231.13794	1.4
238.51308	0.7
293.22562	3.0
294.67633	0.7
311.23663	0.9
321.21835	0.9
339.23105	15.6
357.24164	10.2
375.25375	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05506	2.3
57.03418	4.7
57.07058	6.3
59.04985	9.7
65.03901	0.9
65.23121	0.8
67.05141	1.5
67.05491	33.2
67.62285	0.9
69.03414	17.3
69.07059	2.0
71.04973	23.7
73.06528	1.1
79.05463	5.9
81.07034	12.1
81.84168	1.0
83.04996	1.4
83.08616	1.3
85.02876	1.8
85.06066	1.1
85.06525	31.5
87.04448	10.1
91.05463	10.5
93.07018	9.8
95.04945	30.5
95.08578	6.5
97.02841	1.1
97.06500	1.0
99.08069	1.4
105.07018	9.3
107.08575	11.7
109.06498	1.4
109.10137	6.8
111.04413	1.2
113.05988	100.0
117.07008	4.1
119.08558	8.0
119.41859	1.1
121.06561	1.3
121.10114	5.1
123.08052	1.2
123.11650	1.2
125.05968	6.0
129.06963	4.8
131.08549	6.7
133.10098	6.9
135.11668	4.3
137.13142	1.3
142.46687	0.9
143.08540	5.1
145.08589	22.1
145.10077	8.5
147.11639	7.5
149.13219	2.0
153.05432	4.6
155.07002	1.0
155.08521	1.6
157.10129	4.6
159.11661	4.4
161.13231	5.4
163.07434	1.1
168.97040	1.0
169.10094	2.1
171.11618	1.6
175.07501	1.7
175.14919	1.2
179.62273	1.0
183.11618	1.7
185.13182	3.8
187.14828	1.2
189.09128	1.2
197.13254	4.1
199.14771	1.6
201.16389	1.5
207.11815	0.9
212.46440	1.1
241.12131	1.5
243.13710	1.7
293.22745	1.1
319.20404	1.1
319.26154	1.9
337.21524	17.4
337.27328	1.4
355.22559	21.1
356.23019	1.1
373.23700	7.4
449.27151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01863	7.1
55.05499	6.8
57.03432	9.1
59.04989	1.1
61.02913	15.8
61.33252	1.0
66.68352	1.1
67.05491	17.6
69.03416	36.6
69.07050	5.3
71.04971	4.8
73.02903	5.2
79.01164	1.1
79.05041	2.0
79.05472	26.7
81.03413	17.5
81.07037	45.3
83.04974	1.8
83.08593	2.0
85.02888	100.0
87.04472	2.8
91.03935	5.9
91.05466	21.5
93.07014	36.8
95.04957	5.4
95.08586	30.3
97.02866	30.4
97.06524	5.4
99.04463	4.3
105.07017	41.3
105.85964	1.1
107.04951	2.9
107.08583	29.7
109.02852	10.8
109.06521	12.0
109.10139	10.6
111.04422	1.5
111.08086	1.9
113.05991	1.5
115.03989	1.3
115.05469	1.4
117.06980	11.9
119.08564	28.7
121.06515	4.6
121.10121	20.4
123.08110	1.3
125.05975	61.4
127.03907	13.7
128.06195	1.6
129.06972	13.3
130.07857	1.5
131.08542	27.4
133.10103	20.9
135.08018	1.8
135.11681	7.1
137.05969	2.1
141.06982	2.8
142.07732	1.6
143.08540	19.1
145.04900	8.4
145.10107	28.2
147.08028	1.8
147.11656	14.0
149.13268	2.8
153.05449	35.2
153.06798	1.9
155.07030	25.7
155.08528	8.8
157.10097	17.8
159.08069	1.9
159.11671	28.2
161.09554	2.1
161.13237	8.3
163.06099	1.4
163.11115	1.6
165.07063	1.5
167.07155	1.8
167.08598	6.0
169.10078	11.8
170.10925	1.5
171.11661	9.4
173.09621	1.5
173.13223	8.7
175.07576	2.4
175.11142	2.2
175.14813	9.4
175.18689	1.5
177.09128	1.5
179.07072	1.4
180.09325	1.4
181.10031	8.7
183.11621	10.9
185.09537	1.7
185.13181	11.2
187.14749	8.6
189.16405	5.8
193.10106	2.2
195.11671	7.6
197.13210	9.7
199.11107	1.9
199.14775	9.1
201.16359	26.7
203.18018	1.6
207.11678	2.5
209.13266	7.2
211.14850	2.9
213.08946	1.5
213.12747	1.8
213.16338	6.5
215.10672	1.7
215.18002	5.6
217.12189	1.7
221.13150	5.2
223.14919	3.3
225.16310	2.8
227.10710	4.2
227.14195	1.8
229.12268	5.2
229.15895	1.3
235.14836	5.7
241.12219	2.3
243.13885	1.3
251.17923	2.4
253.19565	4.5
255.13658	3.0
257.15430	1.6
263.14404	1.5
263.17899	1.4
277.16101	1.6
277.19373	6.9
281.15189	2.0
288.56653	1.3
291.20831	5.2
295.16589	1.4
309.22086	6.8
319.20462	10.0
327.23004	2.2
337.21524	46.0
355.22607	96.1
363.82706	1.4
373.23572	17.8
503.76883	1.3
535.29340	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	535.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01855	5.6
55.05502	15.1
57.03427	11.6
57.07058	1.4
59.04982	1.5
61.02907	10.8
62.94042	1.1
63.41451	1.1
65.03901	1.4
67.05494	16.3
69.03415	36.7
69.07069	10.0
71.04970	6.9
73.02895	2.8
77.03867	1.2
79.05475	23.5
81.03386	18.6
81.07035	38.0
83.04961	8.3
83.08606	11.1
85.02887	100.0
85.06522	8.1
87.04449	12.3
91.03945	4.4
91.05452	27.2
92.09283	3.2
93.07018	38.7
95.04944	9.8
95.08578	36.4
97.02865	38.2
97.06533	1.9
97.10216	1.2
99.04418	9.3
103.05435	1.6
105.07005	40.9
107.04930	7.4
107.08576	34.9
109.02863	8.2
109.06492	10.3
109.10120	17.1
111.04428	6.4
111.08062	1.9
113.05980	7.1
115.03905	1.8
115.05405	1.4
117.06996	12.0
119.08556	27.1
121.06455	1.9
121.10107	18.9
123.08050	1.6
123.11715	5.2
125.05973	43.0
127.03847	14.5
128.06171	1.7
129.06979	11.2
130.07767	1.7
131.04883	2.1
131.08545	21.5
133.06464	2.4
133.10106	25.3
135.04451	1.7
135.08058	5.6
135.11667	14.3
137.05972	1.5
137.09610	1.8
139.03865	2.0
141.06958	2.2
142.07751	2.7
143.08556	14.5
145.04959	13.1
145.06020	1.3
145.06464	1.2
145.10094	24.9
147.07983	1.5
147.11667	16.1
149.05957	2.6
149.13258	5.8
153.05443	34.5
155.07011	16.3
155.08536	10.2
157.10075	17.2
159.08055	1.5
159.11678	24.0
161.05907	1.8
161.09601	2.6
161.13203	7.0
163.07532	2.9
163.14818	2.3
167.07030	2.3
167.08557	5.9
168.09274	1.4
169.10080	6.4
171.11658	10.4
173.13206	8.6
175.07445	1.9
175.14763	15.7
177.09058	2.1
179.07079	1.7
179.08534	2.3
181.10077	6.3
182.10947	1.9
183.11644	12.6
185.09569	4.6
185.13219	14.0
187.11237	1.6
187.14803	6.8
189.16350	6.1
191.14275	1.3
193.10107	4.7
195.11665	6.8
195.13530	1.5
197.13203	9.5
199.11163	1.7
199.14822	7.1
201.12698	1.6
201.16328	25.7
203.10608	1.9
203.17915	5.5
205.10153	1.7
205.19511	1.4
207.11688	2.0
209.09569	1.7
209.13287	6.9
211.14769	5.1
213.12756	1.8
213.16373	2.7
215.17992	5.5
221.13210	5.3
223.14812	2.6
223.16855	2.4
225.16362	2.5
227.10651	2.2
227.14381	2.9
235.14735	7.1
237.16330	1.3
241.12154	2.1
243.13669	1.6
249.16362	2.2
253.58467	1.4
255.13710	5.9
273.14755	5.5
277.19357	2.3
281.15311	4.7
281.22556	1.5
287.16336	2.6
291.20914	9.9
299.16370	3.0
309.18704	1.8
309.22034	8.2
311.23492	1.7
319.20505	5.4
319.26315	4.3
337.21509	39.9
337.27463	3.0
355.22586	97.7
373.23572	24.4
524.33356	1.5
535.28485	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	535.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17580	1.7
53.03922	3.9
55.01870	3.3
55.05498	12.5
56.96570	1.7
57.03433	13.3
57.07056	2.4
59.04986	2.3
61.02918	17.1
67.05492	22.8
69.03413	40.5
69.07057	10.1
71.04978	10.0
73.02895	3.2
79.05474	24.6
81.03391	17.4
81.07036	54.1
82.91265	1.8
83.04961	2.8
83.08606	6.5
84.08096	1.7
85.02887	100.0
85.06523	4.2
87.04450	8.4
91.03947	2.1
91.05451	30.8
93.07024	46.0
95.04939	9.4
95.08585	41.6
97.02874	32.2
97.06517	3.4
98.30952	1.8
99.04435	2.9
103.13646	1.9
105.07008	43.5
107.04938	3.3
107.08566	35.7
108.08858	2.2
109.02883	10.1
109.06489	14.8
109.10136	19.1
111.04427	4.3
111.08110	3.1
113.05986	7.2
115.03896	4.5
117.06991	15.5
119.08564	25.5
121.06519	4.6
121.10088	27.7
123.11703	4.7
125.05960	61.3
125.09611	2.5
127.03871	14.7
128.06212	2.2
129.06998	11.6
131.08527	28.4
133.10120	23.9
135.11661	13.5
137.05960	8.5
137.09561	2.0
141.06909	2.4
142.07736	2.1
143.08527	17.3
145.04988	9.3
145.10085	29.1
147.04449	3.2
147.11668	20.7
149.02769	2.0
149.06055	2.2
149.13222	4.0
153.05461	38.9
153.06725	2.6
155.07008	20.2
155.08499	8.8
157.10066	20.4
159.08000	2.0
159.11635	28.6
161.09566	3.2
161.13206	10.2
163.07524	3.3
167.07034	4.4
167.08560	3.3
169.10071	8.0
171.11658	8.1
173.09555	3.6
173.13243	7.8
175.14832	12.6
177.05429	2.4
180.30751	2.0
181.10101	7.7
183.11678	9.6
185.13200	14.6
187.11113	3.1
187.14859	10.8
189.16386	8.9
193.10149	2.9
195.11662	10.3
197.13274	9.0
199.14821	12.7
201.16353	23.3
203.17906	3.2
205.15831	2.3
205.19302	2.1
209.13222	7.7
211.14790	7.2
213.12711	2.6
213.16356	3.3
215.18030	3.0
221.13200	4.3
223.14963	5.5
223.16879	3.4
225.16321	2.9
227.10669	2.0
229.12219	2.4
235.14877	2.3
237.02971	2.0
255.13686	3.1
257.15390	2.6
263.17676	2.3
267.13571	2.6
277.19498	8.3
281.15219	3.8
291.21008	8.4
309.22037	7.4
319.20569	12.1
319.26089	3.0
337.21515	48.0
350.89856	2.0
355.18378	4.1
355.22580	85.1
373.23804	20.8
392.49747	2.1
448.55545	2.0
535.32605	94.6
543.97437	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	535.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01859	1.0
55.05507	6.7
57.03415	4.5
59.04977	5.3
61.02914	1.0
65.03925	1.0
67.05488	6.8
69.03417	19.9
69.07045	1.6
71.04958	4.4
79.05466	5.8
81.03395	1.9
81.07030	3.9
83.04961	20.6
85.02888	11.5
87.04453	3.4
91.05451	8.2
91.30475	0.8
93.07024	14.1
94.78510	0.8
95.04948	4.1
95.08575	23.2
97.02850	4.8
98.97576	1.0
99.04414	4.5
99.49978	1.1
101.06001	1.4
105.07014	23.7
105.07729	1.1
107.04940	1.9
107.08575	37.8
109.02910	1.1
109.06493	7.7
109.10217	1.2
111.04409	1.1
111.20718	0.8
115.03903	3.7
115.05426	1.5
117.03337	2.0
117.05486	0.8
117.07012	11.7
119.08556	75.9
121.06468	8.6
121.10126	16.6
123.04379	3.9
123.08044	13.5
125.05806	0.7
125.09609	1.7
127.03864	1.6
129.06966	7.0
130.07758	1.7
131.08537	18.6
133.04927	1.7
133.10112	8.0
135.04388	5.8
135.07053	1.5
135.08035	26.4
135.11659	24.3
136.04747	1.0
137.05962	3.6
137.09590	17.6
143.08504	1.2
144.09326	17.1
145.02818	6.2
145.04962	1.6
145.06467	4.0
145.10101	11.4
147.08032	9.6
149.05949	3.9
149.09593	2.0
149.13243	12.5
150.38838	0.8
151.07535	1.1
153.09109	6.4
157.10072	3.8
159.05804	0.9
159.08076	3.5
159.11664	88.7
160.20540	0.8
161.09566	5.0
162.10313	1.2
163.03867	30.2
163.07466	1.7
163.11153	27.5
164.04216	12.7
165.09085	8.4
169.10121	1.2
172.08788	6.5
177.05452	3.6
177.12718	43.3
187.11147	22.4
189.28421	1.0
193.04924	1.3
195.13766	5.9
205.12209	100.0
221.90742	0.9
223.13249	34.8
236.53462	0.9
241.14345	5.7
350.33969	1.0
406.11563	0.9
503.61182	1.0
535.17407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	22.2
57.07055	10.5
61.02903	2.7
61.81927	2.2
62.32489	2.4
65.53625	2.7
67.05138	5.4
67.05486	96.0
68.60986	2.3
69.03400	12.3
69.07037	25.9
71.04973	2.8
71.08612	2.9
71.12141	2.4
71.55742	2.3
79.05466	20.7
81.07036	100.0
83.08587	16.6
85.02862	4.2
85.06512	5.5
85.10161	2.5
91.05461	13.0
93.07021	33.6
95.04929	11.5
95.08578	84.6
97.06521	6.4
97.10138	5.5
99.08064	5.7
105.07005	15.6
107.08547	21.4
109.10137	36.1
113.05987	19.5
119.08549	6.4
121.10128	19.8
123.11636	22.0
133.10104	19.2
135.11678	9.7
136.51263	2.6
137.13232	3.6
147.11639	4.3
149.13190	5.7
161.13211	16.1
163.14790	4.9
175.14766	11.0
245.22551	38.8
263.23602	62.9
270.97165	2.8
321.52997	2.8
337.27298	25.3
355.28516	4.6
373.23618	5.3
493.32968	45.3
511.33813	6.3
560.30933	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	535.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	63.3
69.03403	15.8
74.06065	4.5
76.00651	3.0
80.67762	3.1
84.96022	30.8
85.02898	19.0
86.09721	3.3
87.04534	2.9
94.42142	3.4
97.02851	5.6
97.96791	4.4
98.97565	100.0
103.61783	3.5
108.84993	2.9
110.97550	5.6
116.98593	71.8
128.98573	28.7
133.98851	3.5
134.99661	24.6
143.00128	33.5
145.04942	4.1
146.99657	22.6
149.01227	6.2
158.99617	33.7
161.01202	52.3
162.99168	5.9
163.03871	14.3
167.00169	4.7
173.01242	4.9
173.03578	3.3
173.04790	28.6
177.00710	60.8
179.02306	20.3
185.01138	29.9
189.00696	17.9
191.05908	12.2
195.01772	7.7
199.02806	23.8
201.00722	22.2
203.02255	22.8
207.01698	4.2
217.03792	78.0
219.01752	26.9
219.06264	5.3
221.04950	5.3
235.04851	21.5
237.02769	23.2
241.03941	6.6
243.01743	15.8
259.04898	17.2
261.02798	17.0
289.05530	3.6
313.06033	4.1
333.04880	19.1
343.06598	3.7
351.06100	4.0
355.07132	5.2
373.08032	6.2
385.08005	7.2
388.24701	4.2
403.08951	15.4
415.09085	4.1
475.10941	39.4
475.16681	4.4
493.12228	38.9
512.98236	3.9
535.19006	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	534.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62559	2.3
55.15980	2.9
57.03403	3.7
57.07054	2.8
59.04989	7.3
67.05494	32.4
69.03401	14.7
71.04974	22.2
71.29591	2.6
80.94102	3.7
81.07040	12.7
85.06536	21.6
87.04470	3.7
91.05444	3.7
92.63421	3.0
95.04934	29.9
95.08575	3.9
105.06973	4.4
107.08588	4.1
109.10076	3.1
113.05989	100.0
145.08591	24.9
145.09602	2.7
175.07568	4.4
175.14821	3.5
179.06961	5.4
305.33997	3.1
305.37631	3.1
337.21603	5.0
353.20889	5.4
354.21542	5.3
373.23669	60.1
392.27292	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	534.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59302	0.3
55.01853	0.5
55.05510	0.4
57.03435	3.8
57.07061	6.2
58.37305	0.3
59.04989	13.5
65.03912	0.7
67.05493	29.2
69.03415	18.6
71.04975	21.2
79.05479	0.8
81.07037	6.1
83.04961	2.4
85.06530	25.9
87.04449	7.7
91.05471	2.5
93.07021	6.1
93.75656	0.4
93.86693	0.4
95.04948	44.2
95.08589	3.7
101.05984	2.7
105.07021	4.8
107.08579	0.8
109.10132	0.9
113.05989	100.0
116.72253	0.4
119.08559	5.6
127.07554	0.5
131.08607	0.5
133.10104	5.3
135.11679	0.7
145.08582	27.2
147.11673	5.1
162.11270	0.7
174.33276	0.5
175.14789	41.7
184.07341	0.9
267.67255	0.4
337.21683	2.0
355.22580	18.5
365.23447	0.5
373.23651	6.6
451.87787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43167	0.4
55.05482	0.5
57.03425	3.5
57.06863	0.4
57.07067	6.0
59.04986	5.9
65.03931	1.0
67.05137	0.9
67.05489	24.7
69.03413	41.9
71.04976	23.4
73.06546	0.9
79.05470	0.7
81.07045	1.2
83.04955	2.0
84.46758	0.5
85.06527	28.4
87.04440	1.0
91.05494	0.9
91.52773	0.5
93.07004	1.0
95.04944	22.6
95.08581	0.8
99.08129	0.5
105.07019	2.7
107.08556	0.7
109.06496	0.7
112.29205	0.5
113.05984	100.0
119.08569	1.2
121.10149	2.0
125.05965	1.0
125.23679	0.5
127.07527	0.5
130.08640	1.0
130.42410	0.5
131.08551	0.8
132.18938	0.5
133.10088	1.2
135.01250	0.5
145.08575	31.5
145.52580	0.5
147.11636	0.9
153.05479	0.7
155.07010	1.0
157.10103	0.5
159.11703	1.1
161.13200	0.8
162.11226	2.8
175.14787	1.1
197.13219	0.6
201.16379	1.2
337.21606	2.7
337.46558	0.5
355.22620	6.3
373.23663	14.0
487.02707	0.5
517.31598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
55.05510	3.3
57.03423	3.4
57.07071	6.8
59.04990	16.9
65.03912	1.2
67.05493	35.4
67.30502	0.5
69.03416	22.9
69.07048	1.3
71.04978	21.5
73.06543	0.8
75.04484	0.7
79.05472	10.7
81.07046	7.2
83.04960	2.9
83.08597	4.4
83.99992	0.5
85.06531	24.5
86.52998	0.5
87.04449	10.7
89.67919	0.5
91.05475	2.8
93.07018	6.2
95.04949	51.2
95.08576	6.0
97.06499	0.9
99.11951	0.5
101.06019	1.2
105.07026	6.8
107.04935	2.8
107.08593	6.0
108.66497	0.5
109.10142	6.7
109.80058	0.6
113.05989	100.0
117.07008	2.5
119.08562	9.7
121.06512	3.4
121.10123	7.1
123.11691	1.2
125.05949	2.7
131.08553	4.9
133.10114	5.8
135.04352	0.8
135.11687	4.4
143.08545	4.1
145.08594	26.6
145.10115	8.3
147.08035	0.6
147.11624	5.5
149.13289	5.0
153.05466	2.7
155.08507	2.3
157.10078	5.0
159.11684	6.3
161.13268	2.7
162.11272	0.8
163.14807	0.9
167.07011	7.8
169.10077	0.9
171.11693	3.8
173.13246	4.0
175.11139	0.8
175.14818	1.0
177.16368	0.6
179.07022	1.2
181.10095	1.3
183.11653	3.4
185.13210	8.0
187.14824	2.1
189.16414	0.7
193.08687	0.9
195.11713	2.7
197.13171	1.2
199.11093	1.1
199.14883	2.5
201.16422	0.8
203.10706	0.6
209.13248	2.2
211.14844	0.9
213.16284	0.8
217.43401	0.6
223.14818	1.2
225.16376	2.7
227.10680	5.6
227.17932	12.1
229.19424	4.4
235.14789	0.7
241.12215	1.0
243.13773	1.0
251.14255	0.6
255.13712	1.0
259.13382	0.7
269.15317	0.6
273.14746	0.9
277.19553	0.9
287.16388	0.9
295.16910	0.8
337.21484	5.3
355.22607	78.6
371.22009	0.7
373.23676	18.3
491.24915	0.7
499.30597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05500	1.2
57.03432	4.7
57.07063	6.1
59.04992	13.3
65.03923	1.4
65.72117	0.5
67.05494	32.6
69.03416	20.4
71.04976	17.1
75.04469	0.7
79.05487	4.7
81.07056	3.0
82.06131	0.5
83.04955	3.3
83.08599	1.2
85.00848	0.6
85.06527	17.0
87.04459	5.7
91.05489	1.4
93.07034	2.8
95.04948	44.6
95.08581	4.1
101.06015	1.4
105.02531	0.6
105.07014	4.0
106.50811	0.5
107.08587	4.2
108.19230	0.6
109.10156	3.0
113.05990	100.0
117.07025	1.1
117.15535	0.7
119.08562	7.7
121.10133	2.7
123.04362	0.7
131.08539	3.2
133.10094	5.2
135.11678	3.6
138.31546	0.6
143.08502	2.3
145.08594	17.9
145.10033	5.2
147.11650	2.4
149.13229	1.1
155.08540	1.1
157.10098	2.6
159.11725	5.3
169.10155	2.3
171.11629	3.1
173.13210	0.7
183.11772	0.8
185.13214	2.4
199.14650	0.8
201.16414	0.7
225.16307	0.9
227.17993	5.6
229.19511	0.8
255.13770	0.8
273.14798	1.5
291.23227	0.7
337.21509	2.9
355.22574	26.5
373.23676	9.3
466.38193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91026	0.1
53.03930	0.2
54.29185	0.2
55.01856	0.6
57.03425	0.1
65.03931	0.3
67.05497	0.2
69.03398	0.7
69.24316	0.2
69.49361	0.1
74.60590	0.2
78.85747	0.2
79.05466	3.0
81.07035	0.4
85.02883	0.9
86.09659	0.2
89.58989	0.2
91.05451	3.6
92.08823	1.0
93.06989	0.4
94.04177	1.7
95.04909	1.4
95.08591	0.3
97.02852	0.3
100.40581	0.2
102.04681	0.2
103.05441	0.4
105.03376	0.2
105.04474	0.2
105.06989	1.3
106.04118	0.2
107.04929	5.3
109.06473	0.4
111.04421	1.0
112.35493	0.1
115.05441	0.2
117.03294	0.2
119.04911	5.4
121.06464	4.4
122.03605	6.0
123.08042	0.2
125.05981	0.9
129.06943	0.2
130.04126	0.2
131.04860	1.2
132.03577	0.2
133.02835	0.3
133.06480	0.9
134.03589	0.6
135.04379	3.3
135.08022	0.3
137.05946	100.0
138.06229	0.3
145.02783	0.8
145.06532	0.2
145.10107	0.2
147.04376	7.4
149.05943	6.4
150.06688	1.2
151.07509	2.2
153.06941	2.4
155.08545	1.0
159.04605	0.2
161.05939	3.6
162.06703	1.5
163.03864	0.4
163.07506	0.7
165.06956	4.0
167.06975	3.8
167.81018	0.2
168.05640	0.2
168.07193	0.2
169.06409	0.2
170.64943	0.2
174.06648	0.3
175.07486	0.4
177.05447	0.8
177.06859	0.2
179.07010	2.9
179.08459	0.3
181.06427	2.8
182.07195	0.7
183.08000	2.8
193.06377	1.6
194.07222	1.3
195.08037	0.7
196.05240	0.3
197.09595	0.2
198.06667	0.2
199.07388	0.3
200.08289	0.2
205.06480	0.3
205.12184	0.4
206.06998	0.2
207.04364	0.3
207.08058	0.2
209.05954	0.7
210.06761	1.2
211.07497	3.1
212.08257	0.4
213.09050	1.6
221.05928	2.3
222.06705	0.9
223.07448	0.2
224.08258	0.2
225.09094	1.8
227.06947	0.3
228.07817	0.3
237.09015	1.0
238.06133	0.2
239.06960	1.1
239.10712	0.2
241.08540	1.6
242.09402	0.3
243.10085	0.3
251.06927	0.8
253.08511	2.0
262.06458	0.2
265.04648	0.2
265.05713	0.2
265.08545	2.9
267.10098	1.0
270.08542	0.2
271.09567	14.7
272.10031	0.2
273.11160	2.1
282.08981	0.3
283.09601	0.9
285.11105	4.7
296.06442	0.2
297.11169	4.4
309.11108	0.8
315.12180	4.6
327.12207	0.3
344.00229	0.2
423.48392	0.2
433.16296	0.7
451.17487	0.7
463.17480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
53.32516	0.2
55.05505	0.5
56.96551	0.2
57.03416	0.2
59.33332	0.2
61.02902	0.3
63.34948	0.2
65.78177	0.2
69.03413	2.3
71.04972	0.4
71.93619	0.2
74.06063	1.8
79.05473	1.1
81.03395	1.2
83.04967	1.5
85.02901	2.3
86.09654	0.3
89.03898	4.8
91.05461	0.4
95.04945	0.6
97.02892	2.6
99.04417	0.5
107.04914	2.2
109.02866	1.2
109.09250	0.2
111.04440	2.3
113.05941	0.2
116.07063	0.5
116.98495	0.3
117.03361	7.0
121.02814	0.3
123.04411	0.4
125.02320	1.3
127.03884	0.4
129.05484	0.4
133.02814	2.5
135.04401	19.4
137.05896	0.5
138.89713	0.2
144.06516	0.3
145.01672	0.5
145.02834	15.6
145.04903	0.4
149.05916	0.3
152.06898	0.2
162.47072	0.2
163.03880	100.0
164.04230	1.3
165.05453	0.4
178.02589	5.6
181.04950	2.4
189.05406	0.3
193.04938	35.5
233.06874	0.4
235.06082	0.3
239.68474	0.3
243.06393	1.1
257.06876	0.3
271.05905	1.0
288.10416	0.3
289.07050	1.6
307.08060	1.7
309.09778	0.3
325.09122	0.4
333.54999	0.3
355.10242	0.4
359.10025	0.3
363.45483	0.3
377.11218	0.5
463.12704	1.9
481.13046	1.1
499.14325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38240	0.1
55.01863	0.7
62.19658	0.2
69.03410	0.8
71.45247	0.2
79.05482	5.1
81.07043	0.8
85.02905	0.8
86.09673	0.2
89.97308	0.2
91.05466	6.0
92.09305	0.2
93.03395	0.2
93.07030	0.4
94.04167	1.7
95.04935	1.7
95.08578	0.3
97.02837	0.3
103.05454	0.9
105.07014	1.9
107.04935	7.0
108.97929	0.2
109.06499	0.8
111.04436	0.8
115.03886	0.2
115.05426	0.3
117.03371	0.3
117.06982	0.2
119.04919	8.3
121.06489	5.7
122.03631	6.1
122.04512	0.2
123.04402	0.9
124.05170	0.3
125.05965	1.2
127.03873	0.2
130.04028	0.2
131.04922	2.1
133.02800	0.9
133.06445	1.5
134.03609	1.1
135.04401	5.7
136.05147	0.3
137.05959	100.0
138.88020	0.2
141.06984	0.3
145.02849	0.9
145.06454	0.4
147.04395	11.3
149.04738	0.3
149.05959	8.6
150.06738	2.5
151.03897	0.2
151.07498	2.1
152.06258	0.3
153.05632	0.4
153.06982	2.9
154.07793	0.3
155.08557	1.3
161.05951	5.3
162.06714	2.3
162.69896	0.2
163.07524	0.8
165.05525	0.4
165.06958	6.5
166.07771	0.4
167.07027	5.6
167.08409	0.5
168.05663	0.4
173.12866	0.2
175.07484	0.4
177.05423	1.7
177.06862	0.3
179.07001	3.0
179.08458	0.6
180.05920	0.2
181.06453	3.5
182.07220	1.0
183.08011	4.6
185.05968	0.3
187.07553	0.3
191.07028	0.2
191.08511	0.3
193.06401	2.6
193.07994	0.2
194.07257	2.0
195.08112	0.6
196.05206	0.4
197.05959	0.8
197.09581	0.4
198.06781	0.4
200.08321	0.3
205.06409	0.7
207.04332	0.3
209.06009	0.7
209.09596	0.3
210.06726	1.1
211.07518	5.6
212.08292	0.4
213.09035	2.0
221.05933	3.0
222.06787	1.4
223.07526	0.2
224.08330	1.0
225.09067	2.0
227.07013	0.2
228.07832	0.3
233.37506	0.3
234.06772	0.3
235.07532	0.2
237.09001	1.3
239.06944	1.6
241.08569	1.5
242.09258	1.3
243.10164	0.4
249.09009	0.2
250.06133	0.4
251.06929	0.9
252.07840	0.4
253.08591	2.1
256.10834	0.3
259.27750	0.2
265.08539	4.3
267.10233	1.3
267.12720	0.2
270.08704	0.3
271.09595	21.7
272.10104	0.2
273.11200	1.9
277.08524	0.3
282.08786	0.9
283.09656	1.2
285.11163	5.6
297.11179	6.0
303.12335	0.2
309.11230	1.4
315.12244	7.4
327.12213	0.9
401.13843	0.3
433.16232	1.2
451.17285	0.9
453.27350	0.2
463.17313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.1
53.03930	0.1
55.01846	0.1
55.05496	0.1
57.03407	0.1
58.34703	0.1
59.04995	0.1
61.02906	0.4
63.02351	0.1
66.88379	0.1
67.05475	0.2
69.03407	1.3
71.04964	0.4
73.02869	0.1
79.05460	0.8
81.03389	0.6
83.04956	0.4
85.02415	0.1
85.02882	2.5
89.03887	3.5
92.08693	0.2
93.07033	0.1
95.04955	0.9
97.02851	1.0
99.04463	0.1
107.04935	1.6
109.02846	0.5
111.04389	0.2
113.05959	0.2
117.03352	6.0
119.04933	0.2
123.04440	0.1
127.03924	0.7
129.05399	0.2
133.02835	0.2
135.04387	16.9
137.05937	0.6
139.03903	0.1
141.05428	0.2
145.02821	14.0
145.04854	0.4
147.04395	0.5
147.06450	0.2
159.06534	0.1
163.03865	100.0
164.04208	0.2
166.08719	0.1
176.03444	0.2
178.02559	0.8
193.04922	1.9
193.07034	1.3
218.05484	0.1
259.81985	0.1
285.09665	0.1
355.10257	1.9
410.00165	0.1
512.16302	0.1
522.24774	0.1
525.15173	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	533.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37401	0.3
53.03943	0.4
53.56864	0.3
55.05501	3.7
57.03433	5.9
59.04993	7.1
61.02893	0.3
67.05494	3.9
69.03421	5.5
69.07061	2.1
70.06575	0.8
71.04977	3.4
72.14610	0.3
75.04470	0.6
77.06023	0.6
79.05479	5.1
81.03409	1.6
81.07042	17.1
81.89053	0.4
82.07400	0.6
83.04988	3.1
83.08614	0.7
85.02892	30.6
85.06534	6.8
87.04455	100.0
91.05444	4.5
92.08631	0.9
93.07030	8.3
95.04946	3.0
95.08597	6.7
97.02876	3.0
97.06525	1.0
99.04442	1.9
99.76617	0.5
105.07021	9.5
107.04983	0.7
107.08588	9.0
109.06516	2.4
109.10145	4.5
111.04443	3.3
111.08054	0.4
113.06009	0.7
115.03932	0.7
115.07512	0.5
117.05447	0.7
117.07005	2.0
119.08560	7.3
121.06484	1.6
121.10127	5.6
122.07355	0.4
123.08057	0.7
125.05977	13.8
125.09557	0.5
127.03896	1.0
129.05486	2.7
129.06958	1.6
131.08562	6.4
133.04962	0.5
133.10106	5.4
135.08038	2.1
135.11664	4.0
137.05962	0.9
142.07762	0.6
143.07060	0.9
143.08562	4.3
145.02811	1.5
145.10132	7.0
147.08005	0.6
147.11679	4.1
149.05937	0.5
149.09596	0.6
149.13295	0.8
153.05450	8.3
155.07033	6.1
155.08379	0.8
157.10132	2.4
159.08005	0.7
159.11676	4.4
161.09641	0.8
161.13225	0.8
163.03981	0.6
163.11140	0.5
165.12801	0.8
169.10129	1.9
171.11678	2.4
173.13286	1.0
175.07486	0.7
175.14769	3.5
177.05473	1.0
181.10054	0.6
183.11684	2.3
185.13245	3.6
187.14822	2.1
189.16379	1.6
191.14326	2.2
195.11734	1.8
197.13318	1.7
199.14810	2.8
201.16371	7.1
203.14355	0.5
203.18022	0.8
209.13260	2.4
211.14806	0.8
213.16382	0.7
215.17993	0.6
219.17552	0.5
221.13240	0.7
221.15315	0.5
223.14806	0.7
229.12221	0.8
235.14801	0.7
239.16447	2.6
243.13791	0.4
249.16452	0.8
253.19362	0.6
255.13596	0.5
277.19550	1.7
281.15311	0.5
291.21158	0.7
309.21973	0.8
319.20450	0.6
337.21594	9.5
355.22617	21.8
373.23648	6.7
463.99561	0.5
533.26459	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	533.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	0.6
55.05497	0.5
57.03417	2.9
57.65394	0.3
59.04994	0.8
61.02919	3.0
67.05482	3.7
69.03059	0.8
69.03417	11.3
69.03757	0.7
69.07061	3.0
71.04988	2.7
73.02903	0.7
79.05489	1.7
81.03383	3.9
81.07054	2.6
81.12335	0.4
83.08624	0.7
85.02887	26.9
85.06097	0.5
85.06564	2.1
87.04010	0.4
87.04440	3.5
91.03972	0.8
91.05499	1.6
93.06450	0.5
93.07050	2.0
95.04946	4.3
95.08585	3.0
97.02863	11.7
97.03476	0.4
97.06523	1.0
99.04453	2.0
101.12727	0.4
105.07011	2.8
107.08566	3.1
109.02893	3.0
109.06538	1.8
109.10177	1.7
113.05970	5.5
115.03934	0.6
115.05470	0.4
119.04954	0.4
119.08595	2.6
121.06510	0.8
121.10179	2.0
122.07301	0.9
123.08035	5.7
127.03894	6.2
129.06989	0.4
131.08577	0.8
133.10159	1.8
135.08028	10.6
135.08929	0.4
135.11719	2.1
143.08458	0.5
145.04945	5.9
145.08626	0.7
145.10147	0.7
147.04460	0.8
147.11797	1.9
149.13252	0.5
156.60390	0.4
159.11728	0.7
161.13329	0.7
163.06123	0.4
165.12746	3.9
167.07088	0.6
171.11649	0.4
173.09363	0.5
174.33099	0.4
175.14836	1.7
176.12000	2.7
187.14877	0.5
191.14272	19.2
193.15842	1.3
203.18007	0.7
209.15454	2.5
335.19897	0.5
335.25882	0.5
353.21170	1.9
371.21652	3.1
389.22995	4.0
533.31042	100.0
534.31805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.4
53.03942	0.5
55.01867	0.7
55.05502	1.8
56.63278	0.3
57.03423	4.7
57.06808	0.4
57.07067	7.6
58.50732	0.3
59.04990	11.4
59.05291	0.4
62.81813	0.2
65.03937	2.7
66.53522	0.3
67.05491	41.7
68.05812	0.7
69.03413	19.8
69.07053	1.7
70.03755	0.5
71.04977	26.8
73.06538	1.5
75.04481	0.6
79.05476	4.9
81.07037	15.4
83.04967	3.3
83.08591	0.4
85.02871	0.4
85.06528	31.3
86.06859	1.2
86.26263	0.3
87.04451	6.2
88.12283	0.3
89.75809	0.3
91.05457	8.4
93.07024	8.0
94.07330	0.3
95.04945	43.7
95.08588	4.3
96.05278	1.7
97.06512	0.7
99.08084	0.3
101.06008	1.5
105.03403	0.5
105.07015	11.0
106.02174	0.3
106.07346	0.3
107.04932	0.6
107.08572	5.1
109.06519	1.7
109.10132	1.2
111.04448	1.2
113.05986	100.0
114.06327	6.0
115.05457	0.3
117.06982	5.7
119.04993	0.3
119.08551	5.3
120.08885	0.5
120.89937	0.3
121.06458	2.0
121.10117	1.8
125.05958	6.5
127.07538	0.7
128.06209	1.3
129.06985	3.5
130.45532	0.3
131.08539	7.8
133.06508	0.6
133.10107	4.3
134.10437	0.4
135.08060	1.4
135.11713	1.2
139.03862	0.5
139.59628	0.3
141.07002	1.1
142.07771	1.6
143.08543	5.5
144.09377	0.3
145.06584	0.4
145.08589	13.3
145.10104	7.0
146.09010	0.4
146.10378	0.3
147.08043	1.3
147.11708	2.6
148.12086	0.3
149.09572	0.6
149.13295	0.5
151.07520	0.5
153.05420	3.4
153.06691	0.4
155.08524	3.4
156.09306	0.5
157.10112	8.9
159.08063	1.5
159.11652	4.8
161.09589	1.3
161.13251	0.5
162.11246	0.3
163.07542	1.6
166.07790	1.1
166.77728	0.3
167.08551	1.6
168.09251	1.2
169.10065	3.8
171.08017	1.1
171.11647	3.2
173.09673	0.7
173.13214	2.3
175.07487	2.3
175.11200	1.2
175.14751	2.2
176.15077	0.4
177.09076	0.4
178.46361	0.3
179.07091	0.8
179.08530	1.4
180.09259	0.5
181.10072	2.8
182.10591	0.3
183.11693	3.4
185.09679	1.1
185.13170	2.6
187.07550	0.5
187.11087	0.5
187.14813	0.6
189.09105	1.6
191.07024	0.6
193.10146	1.6
195.11697	2.4
197.09663	1.3
197.13203	2.1
199.11127	1.8
199.14769	2.1
201.09140	0.6
201.16292	0.6
205.10094	1.2
207.11711	1.3
209.09595	0.4
209.13231	1.4
211.11191	1.3
211.14853	0.6
212.15395	0.3
213.09138	0.5
213.12798	0.4
213.16133	0.4
215.10655	1.1
215.14240	0.5
217.12241	0.6
219.11670	0.7
220.12411	0.4
221.13286	1.4
223.11224	0.5
223.14738	1.1
225.09058	1.1
225.16281	0.4
227.10666	1.4
227.14149	0.4
228.14842	0.4
229.12195	0.4
233.13277	1.4
235.14806	1.3
237.12802	0.4
237.16434	0.4
239.10568	0.5
241.12289	1.2
247.14693	1.3
249.16341	0.5
251.17859	0.6
253.12334	0.6
255.13861	0.3
261.16388	0.5
265.19528	0.3
275.18008	1.1
276.18451	0.3
279.13873	1.1
289.19507	1.6
291.20898	0.4
293.15408	0.5
293.18927	0.6
307.17062	0.5
307.20551	1.8
309.21655	0.3
311.16434	0.3
311.19934	0.7
312.34351	0.3
317.18808	2.1
325.21591	0.6
326.21701	0.3
335.19949	15.1
336.20322	4.4
353.21063	21.0
354.21399	0.5
371.22092	18.4
372.22421	8.7
389.23157	3.3
433.86334	0.3
515.29700	3.3
533.30719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3105
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
54.12992	0.8
55.01848	1.7
55.05489	1.0
57.03416	4.3
57.07059	7.1
59.04986	13.0
59.32269	0.8
64.33483	0.9
65.03916	1.8
67.05141	1.7
67.05492	42.6
69.03416	18.3
71.04613	1.5
71.04974	32.6
72.68742	0.8
73.17104	0.8
79.05464	6.1
81.07026	6.8
81.99572	0.8
83.04958	1.7
83.08588	0.9
85.06526	37.3
86.73586	0.9
87.04459	8.7
91.05475	7.1
92.08595	3.9
92.09232	8.0
93.07012	6.1
95.04942	48.4
95.08583	4.7
97.06483	1.0
101.05991	2.0
105.07005	11.7
107.04926	2.3
107.08568	5.5
109.06487	4.6
109.10133	2.1
113.05988	100.0
117.07055	3.6
119.08554	7.0
121.06472	3.9
121.10112	1.1
125.05963	8.6
127.53622	1.0
129.06963	5.2
131.08543	7.1
133.10101	2.3
135.08081	1.1
141.06926	0.9
142.07773	1.6
143.08499	9.0
145.06534	1.0
145.08595	19.9
145.10080	7.3
147.07990	2.1
152.39656	0.9
153.05434	4.7
155.08528	5.1
157.10107	6.4
159.08084	1.9
159.11676	6.9
161.09630	1.5
161.86040	1.0
167.08481	1.4
169.10085	5.9
171.11626	5.4
173.09526	1.6
173.13223	1.4
181.10085	5.2
183.11629	5.2
185.09665	1.1
185.13237	4.4
187.14845	1.1
189.09033	1.2
191.82062	1.0
193.09973	1.0
195.11661	2.0
197.09575	1.6
197.13202	3.5
199.11200	1.6
201.16368	1.0
209.09509	1.1
209.13206	1.5
217.12201	1.3
219.11636	3.7
221.13116	3.6
225.12776	1.5
227.10635	1.4
233.13261	1.3
235.14699	1.5
237.16403	1.4
241.11961	1.1
247.14728	1.5
251.17801	1.5
253.12299	1.1
265.15836	1.2
275.17883	1.2
289.19406	2.0
293.18716	1.3
307.20474	4.4
311.20026	1.8
317.18918	1.3
325.21469	1.4
335.19983	17.3
353.21017	32.3
371.22083	28.7
389.23022	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	533.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12217	0.4
54.81492	0.5
55.01871	0.6
55.05494	1.0
57.03427	4.7
57.06844	0.5
57.07071	7.9
59.04713	0.8
59.04992	15.8
62.00354	0.6
63.19467	0.5
65.03932	2.0
66.24995	0.5
67.05495	35.8
69.03416	24.7
69.07053	1.0
71.04979	27.1
73.06535	1.2
79.05471	3.1
81.07040	4.7
83.04974	3.2
85.02892	1.2
85.06532	34.1
87.04448	11.7
91.05454	3.0
92.08652	1.2
92.09257	1.5
93.07016	3.6
95.04949	44.1
95.08582	6.5
97.06493	0.9
99.08054	0.6
101.05994	2.4
101.52399	0.6
105.07006	5.3
107.08582	3.2
109.06495	3.3
109.10152	1.3
113.05990	100.0
117.07013	1.2
119.08573	3.9
121.06484	0.8
121.98543	0.5
123.08059	2.2
125.05975	20.1
127.07579	1.0
129.06984	0.9
131.08513	2.8
133.10106	2.2
141.07008	0.6
142.07932	0.5
143.08519	4.5
145.08577	20.7
145.10115	3.2
147.08089	0.7
147.11664	2.5
153.05447	7.3
155.07016	3.0
155.08368	1.6
157.10078	5.4
159.11653	1.1
161.13228	0.6
165.07045	0.7
169.10115	1.2
171.11644	1.2
183.11632	0.9
185.13147	0.9
187.14842	2.7
195.11725	0.6
197.13094	0.6
199.14790	7.8
209.13329	0.7
213.16318	2.2
215.14182	0.6
217.15797	0.8
227.10725	0.7
325.21271	1.0
335.20056	2.9
353.21106	12.2
371.22226	5.2
389.23123	4.9
533.29767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16526	0.7
53.27906	0.7
54.23290	0.8
54.81478	0.7
55.05518	0.8
57.03418	3.8
57.07058	7.0
58.48068	0.7
59.04986	7.3
62.18374	0.6
65.03915	1.0
67.05490	33.0
69.03416	17.0
69.07040	1.1
71.04609	1.1
71.04976	26.2
73.06546	1.2
78.99777	0.8
79.05476	4.4
81.07045	8.1
83.04960	3.5
85.02864	1.0
85.06528	32.1
87.04444	5.6
91.05455	5.0
93.07014	5.5
95.04947	29.2
95.05456	0.9
95.08587	4.6
101.05986	1.0
102.78883	0.8
105.07000	6.4
107.08569	5.5
109.10055	1.1
112.42713	0.8
113.05991	100.0
117.06956	1.4
119.08556	5.0
121.10115	1.3
129.06934	1.2
131.08578	3.5
133.10071	3.9
135.11668	1.1
143.08534	1.9
145.08585	16.4
145.09946	2.9
147.11702	1.9
155.08524	1.2
157.10126	2.0
159.11673	4.0
169.10071	1.3
175.14806	4.5
181.10078	1.0
185.13164	1.4
186.51149	0.8
199.14839	0.9
227.17915	5.4
295.39560	1.0
307.20508	1.3
335.20029	3.7
353.21039	13.6
371.21997	11.0
389.23206	4.0
445.20273	3.5
532.35144	1.2
533.25330	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	533.3106
Annotation	WIKSTROELIDE E
Peak:m/z	Relative Intensity
51.50058	0.2
53.03934	0.3
55.01851	0.4
55.05502	3.3
57.03424	3.5
59.04711	0.5
59.04987	8.3
64.88456	0.2
65.03918	1.2
67.05487	5.3
69.03407	1.2
69.07047	0.5
71.01349	0.3
71.04971	3.4
75.04439	0.5
77.05999	1.0
77.45003	0.2
79.05470	5.3
79.05903	0.4
79.38729	0.2
81.07034	8.2
83.04964	5.8
83.08610	0.6
85.02889	30.1
85.06528	9.1
85.06920	0.2
87.04449	100.0
91.05444	5.0
93.03378	0.3
93.07021	7.1
95.04958	1.8
95.08590	5.1
97.02892	0.3
97.06490	1.1
97.70031	0.2
99.04414	3.7
101.05996	0.3
105.06459	0.2
105.07011	8.8
107.04934	1.1
107.08575	5.8
109.06491	2.7
109.10119	1.9
111.04420	12.4
111.08035	0.3
113.06086	0.4
115.07551	1.5
117.05502	0.4
117.07007	2.5
118.89445	0.3
119.08555	6.2
121.06475	0.6
121.10126	3.2
123.08073	0.3
125.05968	11.0
125.09625	0.4
128.06174	0.3
129.05481	3.3
129.06999	1.7
131.08545	4.8
133.06468	0.4
133.10098	5.2
135.04373	0.3
135.07982	0.4
135.11673	1.6
137.09610	0.4
141.06961	1.0
142.07713	0.4
143.07059	2.0
143.08492	2.9
144.09265	0.4
145.10103	5.7
145.15912	0.3
147.08023	0.3
147.11670	3.9
149.13255	0.5
151.07626	0.3
153.05423	7.3
155.07034	5.3
155.08521	1.4
157.10123	3.0
159.08084	0.4
159.11664	4.7
161.09615	0.9
161.13246	1.5
163.11113	0.2
167.08548	0.5
169.10103	1.7
171.08138	0.3
171.11638	2.4
173.09592	1.0
173.13269	1.8
175.11099	0.3
175.14796	5.3
177.09137	1.1
181.10094	1.4
183.11685	1.9
185.09596	0.3
185.13176	2.7
186.87891	0.2
187.11131	0.3
187.14778	1.4
189.09084	0.6
189.16414	1.3
191.10754	0.3
193.10097	0.5
195.11707	1.6
197.09502	0.3
197.13223	1.8
199.11105	0.4
199.14842	1.3
201.12675	0.3
201.16365	6.2
203.10590	0.3
203.17964	0.4
209.13298	1.1
211.14864	1.5
213.12688	0.3
213.16325	0.6
215.10674	0.3
215.17831	0.4
217.12276	0.5
221.13275	0.5
223.14809	1.1
225.16365	0.6
227.10808	0.3
229.12302	0.3
235.14780	0.6
241.12010	0.3
249.16437	0.4
251.17969	0.3
255.13707	0.6
277.19467	1.0
281.15201	0.3
291.21063	1.4
309.22067	1.0
319.20517	1.0
337.21524	9.3
355.22589	15.6
373.23651	26.0
533.31146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12595	1.3
55.05499	3.0
56.84261	1.2
57.03408	7.9
57.07055	6.7
59.04987	11.5
67.05486	44.0
69.03413	21.2
69.07054	1.7
71.04976	25.4
74.79572	1.4
79.05457	9.7
79.57490	1.4
79.70312	1.5
81.07035	18.7
83.04952	3.8
85.02873	6.5
85.06521	34.7
87.04449	6.1
91.05460	11.9
93.07030	13.4
95.04949	35.3
95.08585	8.0
97.02865	2.4
97.06458	1.9
105.07016	15.1
107.08562	8.9
109.02842	2.2
109.06472	2.3
109.10147	6.2
111.04452	1.7
113.05982	100.0
117.07031	5.4
119.04923	1.8
119.08539	12.8
121.10104	5.5
123.08037	2.0
125.05956	8.7
129.06976	9.2
131.08521	12.9
133.10121	5.9
135.08064	2.0
142.07750	1.8
143.08577	10.8
145.08562	12.8
145.10098	11.6
147.07994	2.6
147.11659	3.3
149.09616	2.0
155.08516	6.1
157.10083	9.5
159.11684	6.6
167.08505	2.8
169.10089	6.9
171.11656	3.5
175.07501	2.5
179.08504	2.3
181.10052	3.2
183.11659	6.4
185.13219	3.1
187.11137	1.6
189.09000	1.8
193.10133	1.9
195.11679	6.6
197.13237	2.5
199.11050	2.3
199.14775	3.3
203.14459	1.9
207.11597	3.0
209.09595	2.5
209.13255	2.9
223.11098	1.8
225.09103	2.3
227.10616	7.1
229.12209	1.9
233.13257	2.1
235.15010	1.8
275.17856	2.2
307.20422	2.3
317.18951	6.9
335.19989	26.6
353.21005	38.8
371.22101	24.0
378.01465	1.7
389.23160	16.1
459.02249	1.7
533.31183	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3082
Annotation	WIKSTROELIDE E
Peak:m/z	Relative Intensity
50.15735	0.6
55.01879	1.1
57.03430	3.3
61.02912	5.1
61.83831	0.7
64.33911	0.6
67.05489	1.6
69.03416	13.1
69.07075	4.2
71.04995	1.7
75.01287	0.7
78.02413	0.7
79.05470	1.0
81.03420	3.1
81.07053	1.2
85.02362	1.1
85.02889	33.6
85.06554	0.8
87.04465	1.8
91.05453	1.1
93.07030	2.8
95.04972	3.1
95.08588	3.1
97.02875	13.0
97.06536	0.9
99.04478	1.8
102.31496	0.7
105.07042	1.3
105.93250	0.8
107.08577	3.6
109.02886	4.2
109.06517	1.4
109.10213	1.0
113.06025	1.0
119.08591	3.0
121.06516	1.0
121.10150	1.7
122.07283	2.9
123.08037	6.9
127.03915	6.4
131.08467	0.8
133.10164	1.7
135.08046	7.9
135.11696	1.7
145.04996	4.7
147.04451	1.0
147.11717	1.1
148.08813	0.7
149.13293	0.8
163.06064	1.0
165.12730	5.2
176.12000	1.3
186.81027	0.7
191.14281	25.1
191.15849	1.0
193.15912	1.5
209.15482	1.7
341.90845	0.9
371.20691	1.1
533.31079	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	533.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35788	0.4
53.03933	0.7
55.01856	2.5
55.05497	2.5
57.03424	5.4
61.02919	4.4
65.03915	0.7
67.05483	8.3
69.03066	0.9
69.03412	18.2
69.07043	2.3
71.04955	0.8
72.66694	0.5
72.89645	0.4
73.02882	2.1
74.83317	0.5
79.05471	9.9
81.03399	6.9
81.07035	15.5
83.01301	0.6
83.04947	0.9
83.08597	3.0
84.44847	0.5
85.02886	58.6
85.06520	1.0
87.04447	2.4
87.61328	0.5
87.98312	0.5
91.03941	0.7
91.05460	27.1
93.07023	16.9
95.04931	3.0
95.08584	10.4
97.02864	11.3
97.06507	0.8
99.04431	2.1
103.05460	0.8
105.03351	2.1
105.07016	22.1
107.04937	0.8
107.08572	17.4
109.02204	0.7
109.02872	6.8
109.06487	2.0
109.10136	5.7
115.03815	0.6
115.05422	2.3
116.06241	4.1
117.06987	8.6
119.04897	1.0
119.08559	20.2
121.06480	0.9
121.10117	4.4
123.04412	0.8
123.08030	1.0
127.03863	9.0
128.06221	3.6
129.06972	11.9
130.07774	0.7
131.08536	17.6
133.06456	2.8
133.10109	10.5
135.08081	1.2
135.11632	2.8
137.09622	0.7
139.03839	1.1
141.06996	1.2
142.07759	1.2
143.08540	6.0
145.04927	6.3
145.06435	0.9
145.10100	7.7
147.04424	4.2
147.08025	3.1
147.11655	8.8
149.09550	0.8
149.13196	1.0
151.07607	0.6
155.08492	4.3
157.06435	2.1
157.10086	4.4
159.07999	1.2
159.11633	9.0
161.05864	0.8
161.09496	1.9
161.13258	1.1
163.06032	1.1
163.07530	2.2
167.07112	0.8
167.08519	1.1
169.10077	3.4
169.45723	0.6
171.08069	0.7
171.11620	2.3
173.09648	0.8
173.13260	4.2
175.07513	32.6
175.11211	1.0
175.14781	26.0
177.09134	2.4
177.12752	0.7
179.06999	2.3
179.08403	0.7
179.14238	0.8
180.09343	0.6
181.10112	2.6
183.11652	2.5
185.09567	3.0
185.13214	2.2
189.09126	3.7
191.14235	0.7
193.10130	0.5
195.11703	2.4
197.09509	0.6
197.13196	2.1
199.11168	0.9
201.09048	1.8
203.10585	0.8
205.10107	0.7
207.06509	0.6
209.13223	0.8
213.09138	0.7
213.12650	0.7
215.10593	0.7
225.09088	1.0
227.10751	1.2
229.12321	0.6
239.10535	0.5
239.16525	0.6
241.12201	3.5
253.12149	1.2
267.13800	0.8
275.17841	0.6
307.20566	0.6
329.02533	0.6
335.19937	9.8
353.20996	20.2
371.22073	100.0
533.26636	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	533.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35788	0.4
53.03933	0.7
55.01856	2.5
55.05497	2.5
57.03424	5.4
61.02919	4.4
65.03915	0.7
67.05483	8.3
69.03066	0.9
69.03412	18.2
69.07043	2.3
71.04955	0.8
72.66694	0.5
72.89645	0.4
73.02882	2.1
74.83317	0.5
79.05471	9.9
81.03399	6.9
81.07035	15.5
83.01301	0.6
83.04947	0.9
83.08597	3.0
84.44847	0.5
85.02886	58.6
85.06520	1.0
87.04447	2.4
87.61328	0.5
87.98312	0.5
91.03941	0.7
91.05460	27.1
93.07023	16.9
95.04931	3.0
95.08584	10.4
97.02864	11.3
97.06507	0.8
99.04431	2.1
103.05460	0.8
105.03351	2.1
105.07016	22.1
107.04937	0.8
107.08572	17.4
109.02204	0.7
109.02872	6.8
109.06487	2.0
109.10136	5.7
115.03815	0.6
115.05422	2.3
116.06241	4.1
117.06987	8.6
119.04897	1.0
119.08559	20.2
121.06480	0.9
121.10117	4.4
123.04412	0.8
123.08030	1.0
127.03863	9.0
128.06221	3.6
129.06972	11.9
130.07774	0.7
131.08536	17.6
133.06456	2.8
133.10109	10.5
135.08081	1.2
135.11632	2.8
137.09622	0.7
139.03839	1.1
141.06996	1.2
142.07759	1.2
143.08540	6.0
145.04927	6.3
145.06435	0.9
145.10100	7.7
147.04424	4.2
147.08025	3.1
147.11655	8.8
149.09550	0.8
149.13196	1.0
151.07607	0.6
155.08492	4.3
157.06435	2.1
157.10086	4.4
159.07999	1.2
159.11633	9.0
161.05864	0.8
161.09496	1.9
161.13258	1.1
163.06032	1.1
163.07530	2.2
167.07112	0.8
167.08519	1.1
169.10077	3.4
169.45723	0.6
171.08069	0.7
171.11620	2.3
173.09648	0.8
173.13260	4.2
175.07513	32.6
175.11211	1.0
175.14781	26.0
177.09134	2.4
177.12752	0.7
179.06999	2.3
179.08403	0.7
179.14238	0.8
180.09343	0.6
181.10112	2.6
183.11652	2.5
185.09567	3.0
185.13214	2.2
189.09126	3.7
191.14235	0.7
193.10130	0.5
195.11703	2.4
197.09509	0.6
197.13196	2.1
199.11168	0.9
201.09048	1.8
203.10585	0.8
205.10107	0.7
207.06509	0.6
209.13223	0.8
213.09138	0.7
213.12650	0.7
215.10593	0.7
225.09088	1.0
227.10751	1.2
229.12321	0.6
239.10535	0.5
239.16525	0.6
241.12201	3.5
253.12149	1.2
267.13800	0.8
275.17841	0.6
307.20566	0.6
329.02533	0.6
335.19937	9.8
353.20996	20.2
371.22073	100.0
533.26636	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	533.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17826	0.4
53.03934	0.6
55.01846	0.6
55.05493	2.6
56.96560	1.5
57.03417	1.6
57.07053	0.5
61.02907	0.4
65.03938	0.6
67.05485	2.3
69.03415	8.0
69.07050	3.2
69.42273	0.3
70.06569	0.4
71.04975	1.6
71.48357	0.3
79.05468	4.1
81.03391	0.9
81.07030	9.3
83.04958	2.0
83.08594	0.9
83.26723	0.4
85.02888	8.1
87.04447	0.9
89.03910	0.4
91.05454	5.0
92.08855	1.0
92.09328	0.4
93.07020	3.5
95.04974	1.0
95.08582	2.6
97.02852	3.6
97.06483	0.5
98.97552	0.7
104.80194	0.5
105.03365	1.5
105.07009	7.6
107.04939	2.5
107.07861	0.8
107.08575	17.9
109.02844	1.6
109.06497	7.1
109.10140	6.0
111.08047	0.8
115.05431	1.8
116.98621	0.5
117.03374	0.7
117.06996	2.4
119.06042	0.4
119.08557	3.4
120.08107	0.4
121.06487	2.4
121.10133	14.0
122.07263	4.1
123.08050	1.9
123.11665	0.7
127.03920	0.7
131.08548	3.1
133.10106	100.0
135.08032	11.9
135.11691	0.9
137.06004	2.1
137.09595	62.3
143.08607	0.5
145.02788	0.8
145.04953	0.9
145.10149	3.1
147.04382	1.0
147.08000	0.5
147.11653	2.4
149.05867	0.5
149.09584	0.6
149.13243	12.0
151.11201	0.7
158.10828	0.7
163.03896	0.6
163.11154	0.7
163.14798	2.3
167.07050	0.7
173.13235	5.4
177.05444	2.0
191.14278	34.1
209.15324	14.9
221.15373	0.9
231.08902	0.8
294.20343	0.4
372.03036	0.4
533.15131	0.4
533.26422	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	533.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
54.81448	0.8
55.01862	1.8
55.05508	6.4
57.03432	1.2
57.07070	1.5
59.04986	0.9
66.62000	0.8
67.05486	4.9
69.03062	1.6
69.03410	25.0
69.07044	5.6
71.04977	1.5
72.08140	1.7
78.04680	1.7
79.05473	17.9
81.03396	3.1
81.07039	14.5
83.04967	28.1
85.02886	13.2
85.06532	1.2
86.09664	1.1
87.04438	2.1
91.05464	10.4
92.13494	1.0
93.07037	7.5
95.04943	5.8
95.08591	7.1
97.02869	7.9
97.06488	1.8
99.04427	1.3
101.06034	0.9
103.05434	1.4
105.07015	19.0
106.04103	1.1
107.04944	15.8
107.08574	10.6
109.02853	1.0
109.06520	10.1
109.10144	12.7
111.08064	5.9
115.03891	1.4
115.05447	4.4
117.06993	2.1
118.04115	1.0
119.04908	1.8
119.08556	20.6
121.06471	4.6
121.10121	19.0
122.03647	1.6
122.07285	1.6
122.51251	0.9
123.04386	8.1
123.08062	9.5
123.11678	1.2
124.05179	4.6
125.05982	1.7
127.03947	1.2
128.06169	1.4
129.06995	8.9
131.04926	5.8
131.08528	1.9
132.05692	3.7
133.06438	7.7
133.10112	30.1
135.04370	0.9
135.08029	3.7
135.11667	1.9
137.05968	27.5
137.09593	36.5
138.10359	1.5
139.11148	12.2
143.08594	1.3
144.05643	2.1
145.02838	1.7
145.04933	0.9
145.06494	3.6
145.10077	3.2
146.05983	7.0
147.04369	5.6
147.06311	2.0
147.08006	7.6
147.11652	1.0
149.05963	1.7
149.09587	1.8
149.13260	1.8
151.03870	1.1
151.07529	5.1
152.04681	4.3
155.04892	1.2
156.05688	1.8
159.08000	11.9
160.05116	2.1
161.05919	9.3
161.09598	1.6
161.13229	5.3
163.03842	1.3
163.11128	6.9
165.09074	2.1
167.07002	93.3
169.06424	1.3
171.07999	1.5
172.05154	4.5
173.13214	1.4
174.05396	1.9
175.07491	17.2
175.14783	5.0
176.04745	1.0
176.08331	3.6
177.05453	3.4
178.07645	1.2
179.14250	1.0
184.05135	1.9
187.07498	20.9
189.06976	1.1
190.07741	1.2
191.07014	4.6
191.14215	7.0
193.15862	3.8
199.07515	7.6
202.07733	1.3
203.08522	3.6
203.14293	5.5
206.07205	4.0
207.10133	3.7
209.15297	1.7
215.08578	1.4
217.06609	1.3
217.08574	4.1
218.07222	3.6
219.08041	1.6
221.09579	5.8
221.15337	100.0
231.07953	3.1
233.09569	3.8
234.06784	1.9
235.07558	3.7
239.16449	4.5
247.07477	1.5
247.09740	1.0
248.08186	1.2
249.09068	7.8
251.07097	1.1
261.09116	4.3
263.06995	1.8
266.09219	1.7
277.08423	3.8
278.09372	1.7
279.06461	2.0
281.11542	7.5
289.08487	2.2
291.10013	1.4
293.11526	1.9
294.08710	1.3
295.09631	1.3
306.08832	1.3
307.09503	1.1
309.11188	7.8
310.11664	1.1
321.11130	5.7
326.11246	1.2
341.13757	17.3
353.13626	5.3
404.80011	0.9
533.21576	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	533.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01861	0.3
55.05508	2.9
57.03434	0.7
57.07078	0.7
61.02935	0.6
61.86834	0.3
62.84443	0.2
66.99780	0.3
67.05490	2.9
69.03418	6.5
69.07053	3.0
70.06610	0.4
71.04984	1.3
73.17032	0.3
79.05473	4.2
81.03423	1.5
81.07034	7.7
83.04984	1.8
83.08629	0.5
85.02891	6.9
85.06528	0.5
87.04427	0.5
90.29092	0.3
91.05464	5.6
93.07025	4.1
95.04977	1.6
95.08609	2.0
97.02875	2.6
99.04512	0.5
103.75942	0.3
105.03404	1.1
105.07014	6.3
107.04927	2.5
107.08578	21.3
109.02859	0.5
109.06498	6.7
109.10148	5.9
115.05447	1.9
117.03329	0.3
117.06976	2.7
119.06059	0.4
119.08566	3.8
121.06489	1.7
121.10124	13.6
122.07262	3.6
123.04443	0.4
123.08064	2.3
123.11607	0.4
127.03913	1.5
129.06979	0.6
131.04921	0.4
131.08560	3.0
133.10106	100.0
135.08026	14.2
135.11671	1.8
137.09593	65.1
145.02844	0.6
145.04947	1.3
145.10088	2.0
147.11676	2.0
149.09663	0.7
149.13232	14.8
151.03819	0.4
151.07487	0.5
151.11139	0.6
158.10841	1.2
161.13199	0.4
163.03905	0.4
163.11163	0.6
163.14769	1.6
167.07065	0.5
168.40285	0.3
169.08548	1.8
173.13205	5.6
175.11110	0.3
177.05405	1.2
177.81921	0.3
179.03401	0.5
181.20137	0.3
186.99010	0.3
191.14275	34.4
209.15314	13.1
219.13625	0.3
221.15260	0.6
228.29953	0.3
239.12769	0.6
239.16324	1.2
246.14819	0.5
263.06924	0.4
533.25433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01855	3.1
55.05479	0.8
55.48334	0.8
57.03424	7.1
59.04978	1.2
61.02904	4.1
67.05486	1.2
69.03073	0.9
69.03416	21.3
69.07075	1.0
72.15569	0.7
73.02888	1.4
75.04448	2.8
78.04677	3.9
79.05479	13.0
81.03391	4.8
81.07027	3.7
85.02892	28.6
87.04440	7.2
89.47528	0.6
91.05450	7.8
92.09122	1.5
93.06998	1.4
95.04952	9.2
95.08578	0.9
97.02873	12.5
99.04436	1.2
103.05442	4.5
104.06253	1.1
105.04424	0.8
105.07005	18.6
106.04182	1.5
107.04943	24.3
107.08553	1.4
109.02869	3.1
109.06499	3.3
109.10149	2.9
115.03907	4.4
115.05441	6.5
117.07032	2.6
118.04116	0.9
119.04927	1.4
119.08567	8.4
121.06503	1.5
121.10120	0.9
123.04416	9.7
124.05193	8.1
125.05944	1.0
127.03891	3.0
128.06183	4.5
129.06981	10.8
131.04901	6.1
131.08548	1.2
132.05659	7.0
133.04961	2.8
133.06459	9.4
133.10045	1.8
135.11690	3.0
137.05901	1.8
137.09590	1.5
141.06969	1.2
144.05690	1.7
145.04921	1.0
145.06465	1.4
147.04375	1.3
147.08015	8.5
149.05876	1.0
151.03868	1.5
152.04695	3.7
153.05443	1.3
155.04906	1.6
156.05620	1.5
159.08034	7.2
160.05138	5.5
161.05980	10.0
161.09549	0.7
163.03867	1.4
165.12715	9.9
167.07005	100.0
168.05531	0.8
169.06480	3.1
172.05112	1.0
175.07513	36.3
176.04623	1.2
177.05481	1.4
184.05135	3.9
187.07495	16.9
189.06955	1.3
190.07745	2.9
191.07004	10.0
191.08556	1.3
193.08580	12.7
193.15837	1.1
199.07529	12.4
201.09056	0.9
202.07727	3.0
203.08533	6.8
205.06464	1.0
205.10127	1.2
206.07166	4.4
207.08138	1.1
209.07899	1.0
211.17053	0.8
215.08490	3.9
217.06451	1.6
218.05344	1.1
218.07210	7.6
219.08060	4.7
221.09564	6.1
221.15398	1.0
231.07991	4.5
232.08815	1.5
233.09546	5.3
234.06682	3.2
235.07571	5.9
239.16473	7.6
243.07993	0.9
245.05948	0.9
246.06512	1.0
247.07487	4.2
248.08211	1.1
249.09007	8.6
250.09773	1.5
251.06955	3.0
259.07358	1.5
260.08273	3.1
261.09030	7.6
262.09943	0.9
263.06955	4.0
263.10706	0.8
266.09302	1.4
274.06223	0.9
275.06860	3.0
276.07773	1.1
277.08521	4.4
278.09259	3.2
280.10858	0.7
281.11688	9.1
283.09283	0.9
289.08490	8.3
290.09332	3.0
291.06479	2.8
291.09973	1.1
293.11548	1.8
295.09537	1.1
306.08679	1.4
309.11136	7.1
310.11874	1.0
321.11191	11.6
325.14117	1.3
326.11310	1.6
338.11722	0.8
341.13797	22.0
353.13730	18.3
355.15323	1.8
372.72925	0.9
399.40677	0.9
429.14377	1.0
437.89905	0.8
441.15118	0.8
453.16428	0.7
533.27130	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	532.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90018	0.3
52.37881	0.3
55.05523	0.4
57.03214	0.3
57.03428	5.7
57.07069	6.2
59.04987	3.8
61.79350	0.3
65.03926	0.9
67.05492	30.0
69.03416	42.8
69.07039	1.7
71.04976	21.6
71.05373	0.6
73.02895	0.6
73.06524	0.9
78.16743	0.3
79.05456	1.6
81.07034	4.6
83.04978	3.3
83.08614	0.7
85.06529	22.4
87.04471	0.7
91.05441	2.6
92.08914	0.6
93.07027	2.1
95.04946	32.7
95.08577	2.4
105.03408	0.9
105.07019	11.2
107.08584	1.6
109.10132	0.8
113.05988	100.0
117.06972	0.8
119.08566	13.2
121.10133	0.9
130.08607	3.2
131.08556	1.7
133.10110	2.4
135.08148	0.4
143.08624	0.4
145.08574	26.0
145.10185	0.8
147.11674	3.0
157.10062	0.6
159.11688	1.4
161.13303	0.5
162.11201	3.2
173.13258	0.5
175.14824	1.9
179.06949	0.4
189.09113	0.5
203.17964	3.6
221.13211	0.4
241.12206	0.4
249.12920	0.3
253.12090	0.5
289.19513	0.4
307.20587	0.9
335.19952	7.4
353.21085	6.5
371.22104	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	533.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60606	0.3
53.03923	0.6
55.01854	1.7
55.05497	0.6
57.03417	2.7
61.02905	2.6
64.72907	0.4
67.05490	0.9
69.03065	0.7
69.03413	12.1
69.07045	0.7
71.04975	1.8
73.02895	0.6
78.04707	0.4
79.05475	3.1
81.03395	4.5
81.07031	3.3
83.01309	0.4
85.02888	17.4
85.06532	0.5
86.09686	0.6
87.04442	2.3
89.03907	1.5
91.05457	7.7
93.07013	2.4
94.04161	3.2
95.04944	2.8
95.08578	1.9
97.02876	6.3
99.04448	0.8
103.05440	1.0
105.07004	3.3
107.04939	3.5
107.08569	3.9
107.59220	0.4
109.02872	1.7
109.06474	2.7
109.10117	1.8
115.03899	0.6
115.05433	1.7
116.06253	0.5
116.86031	0.4
117.03352	0.9
117.06980	1.0
119.04940	2.7
119.08564	2.7
121.06494	1.0
121.10129	4.0
122.03618	10.7
122.07243	0.4
123.04445	0.7
123.08060	0.5
125.09553	0.5
127.03909	2.4
128.06168	3.0
129.06946	3.3
130.04128	0.5
131.04907	2.1
131.08522	4.0
133.06490	1.7
133.10103	10.2
135.04391	0.6
135.08044	2.1
135.11633	0.9
137.05952	100.0
137.09558	7.2
141.06961	2.4
143.08543	1.7
144.05681	2.6
144.75717	0.5
145.02829	1.0
145.04950	1.8
145.06470	2.6
145.10117	0.9
147.04398	1.7
147.08015	0.9
147.11694	0.7
149.05948	6.2
149.13219	0.6
151.07506	7.3
151.11186	0.9
152.06143	0.6
156.05661	9.0
157.06448	2.7
158.07224	0.7
159.08009	5.8
159.11642	0.6
161.05940	3.3
162.06750	3.0
163.03853	2.5
167.07005	11.4
169.06467	0.8
170.07213	4.5
171.07967	0.9
172.05130	1.4
173.05978	0.4
173.13248	0.5
175.07538	3.1
177.05399	2.9
178.07831	0.5
184.05197	1.8
186.06680	1.0
187.07497	8.5
189.08986	0.5
190.07716	0.6
191.07074	0.5
191.14319	3.2
193.08661	1.5
195.08026	0.5
198.06702	2.1
199.07559	2.2
201.09076	1.6
202.06184	3.0
202.07762	0.5
203.08592	1.5
203.10478	0.7
205.08508	4.0
206.07234	0.7
207.07956	0.5
209.15353	1.6
215.07025	0.8
216.07826	1.7
217.06528	0.9
217.08542	19.8
218.07329	0.6
219.08089	0.9
219.10182	0.7
220.08882	1.8
221.09644	2.5
221.15501	0.6
223.07347	0.5
231.07968	1.6
231.10080	8.8
232.08693	0.6
233.05936	0.6
233.09512	1.7
234.06714	0.8
235.07462	1.8
237.09021	0.5
238.15144	0.7
246.06679	0.8
247.07475	1.1
247.09650	2.5
248.08295	2.2
249.09021	4.3
261.09027	3.2
262.06171	0.6
263.07004	1.7
263.10608	1.7
265.08527	1.4
266.09317	0.7
267.91174	0.5
276.07748	0.8
277.08536	2.1
278.09299	1.7
279.10361	0.4
281.11667	1.5
285.07391	0.5
289.08524	0.6
291.10110	2.4
293.08072	0.5
293.11465	0.6
300.09824	0.4
306.08743	0.5
307.09634	0.6
309.11108	2.4
311.09128	0.6
313.10928	0.4
316.75546	0.4
321.11078	1.7
323.09058	1.5
323.12860	1.9
326.11475	1.6
327.12531	0.5
338.11493	0.7
339.12091	0.5
341.10199	1.2
341.13821	3.4
353.13782	6.8
355.15347	11.2
371.14944	4.0
379.16251	0.5
475.41290	0.4
532.24731	0.7
533.26514	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	532.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55314	0.5
55.05487	0.7
57.03420	3.8
57.07067	6.2
59.04987	9.0
61.96513	0.5
65.03912	1.0
67.05490	29.7
68.05025	0.7
69.03070	0.9
69.03416	19.7
69.07052	0.9
71.04605	0.9
71.04976	17.6
72.25829	0.6
75.04453	0.6
79.05471	2.3
81.07039	5.0
83.04964	2.4
85.06528	20.2
87.04436	3.5
91.05453	4.1
93.07021	4.8
95.04946	41.4
95.08575	4.9
101.05984	0.9
105.07016	7.8
107.08555	3.3
109.10136	2.2
113.05988	100.0
117.06963	0.7
119.08575	5.5
121.10097	0.8
128.06157	0.7
129.06960	1.0
131.08516	3.3
133.10086	3.9
135.11739	0.9
140.17697	0.6
143.08519	3.0
145.08566	16.4
145.10081	2.8
147.08197	0.8
147.11670	2.9
149.13203	0.9
155.08521	0.8
157.10110	1.1
159.11613	5.0
161.13155	0.8
162.11159	0.9
163.07555	1.0
169.10068	0.9
171.11618	1.0
173.13234	1.3
174.60107	0.6
175.07503	2.2
175.14777	6.9
179.07018	1.1
183.11681	0.9
187.07436	1.2
189.09123	0.8
191.06984	1.1
193.10089	1.1
195.11667	1.2
201.09009	1.0
207.11818	0.6
213.09085	1.4
219.11644	0.7
223.14705	0.7
225.08987	1.2
227.10594	2.4
253.12117	0.7
265.12079	0.7
280.44785	0.6
289.19351	0.7
291.21021	0.7
307.20508	0.8
311.20099	0.6
317.18701	0.7
335.19958	18.8
353.21176	7.7
371.22104	42.8
507.70734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05499	1.6
57.03426	4.2
57.07066	5.1
59.04716	0.4
59.04988	9.5
65.03915	1.9
67.05492	36.9
69.03416	19.7
71.04974	20.4
71.05374	0.5
71.35818	0.3
73.06551	0.7
75.04448	0.5
79.05476	2.8
81.07037	2.4
83.04964	2.2
83.08611	0.9
85.06530	22.2
87.04454	5.6
91.05447	2.1
92.09347	0.9
93.07038	2.7
95.04948	40.9
95.08580	3.6
101.06001	2.1
105.03373	13.4
105.07025	3.2
107.08556	3.3
108.05995	0.4
109.10139	1.5
113.05987	100.0
119.08556	3.0
121.10091	1.5
123.04408	6.5
124.94644	0.4
125.05969	0.9
129.06960	0.5
131.08528	1.9
132.51402	0.4
133.10117	1.9
135.11751	0.4
143.08588	0.8
145.08574	20.8
145.10043	1.7
147.08029	0.7
147.11690	2.6
155.08490	1.5
157.10123	1.7
159.11679	5.8
161.09679	0.6
161.13205	0.4
162.11229	0.6
163.07524	0.6
163.49516	0.4
169.10089	0.8
169.42123	0.4
169.87068	0.5
173.13185	0.8
175.14778	8.3
181.10091	0.9
183.11769	1.3
185.13141	0.8
189.09109	0.6
195.11658	0.6
197.13181	0.6
199.14897	0.7
201.16342	0.7
209.09615	0.4
209.13263	0.7
211.14722	0.5
219.11745	0.5
227.10603	0.9
230.16537	0.6
231.17636	0.6
239.10629	0.6
253.12155	1.9
271.13211	0.7
279.13754	0.9
289.19254	0.7
307.20529	0.6
308.74191	0.4
311.20023	0.4
317.18787	0.4
325.13141	0.4
335.19952	11.7
353.21072	6.2
371.22086	66.6
372.22418	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	532.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47304	0.2
55.01870	0.3
55.05499	0.7
56.84263	0.3
57.03197	0.3
57.03424	4.3
57.07066	6.5
59.04718	0.3
59.04992	7.9
65.03915	2.4
65.09910	0.3
67.05491	30.5
69.03414	18.3
69.07061	0.5
71.04974	19.2
73.06554	0.5
75.04451	0.3
79.05438	2.3
81.07043	3.7
83.04967	2.4
83.08582	0.5
85.06532	20.7
87.04449	4.4
91.05444	2.4
92.30203	0.3
93.07029	3.4
95.04948	38.3
95.08580	2.8
97.06514	0.4
98.26672	0.3
101.06004	0.8
105.03374	4.4
105.07014	3.6
107.04953	0.4
107.08562	2.8
109.10117	0.8
113.05988	100.0
113.31900	0.3
114.37858	0.3
117.06990	0.7
119.08543	3.3
121.06509	1.3
121.10110	0.8
123.04428	2.1
129.06995	0.7
131.08548	3.6
133.06465	0.4
133.10130	2.8
135.11693	0.8
141.06931	0.3
143.08527	1.6
145.08583	15.5
145.10069	1.7
147.08051	0.7
147.11678	1.9
149.13231	0.7
155.08528	0.8
157.10062	2.6
159.08012	0.6
159.11667	4.5
161.09601	0.4
161.13235	0.5
162.11211	1.8
163.07523	0.6
167.08606	0.4
169.10126	2.2
171.11674	1.5
173.09547	0.3
173.13234	0.7
175.07544	1.6
175.14777	6.2
176.52638	0.3
177.09129	0.4
177.12730	0.4
179.07027	0.8
181.10097	1.8
183.11649	1.5
185.13281	1.5
187.07545	0.7
187.14873	0.8
189.09074	1.3
189.12801	0.4
191.14261	0.5
193.10143	0.5
195.11613	0.8
197.09509	0.5
197.13226	1.3
201.16373	1.4
207.11913	0.4
209.13351	0.5
211.14857	0.6
213.09116	0.7
215.10646	0.4
215.14310	0.6
221.13295	0.6
223.14856	0.6
225.09021	1.3
225.12666	0.4
227.10666	1.3
229.15762	0.5
230.16634	1.4
231.17296	0.4
235.14796	0.5
237.12723	0.4
237.16470	0.4
239.10672	0.6
241.12277	1.2
247.14726	0.6
253.12128	2.1
265.12195	0.5
265.19580	0.7
275.17880	0.4
279.13733	1.7
279.21039	0.5
281.22369	0.4
289.19516	0.7
291.20914	0.6
293.15384	1.2
293.18634	0.4
307.20377	2.8
311.19864	0.6
317.19019	0.5
325.21680	1.3
327.14453	0.4
335.19977	19.6
353.21060	15.5
358.84845	0.3
371.22083	46.5
384.76935	0.4
455.19489	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	532.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29307	0.2
53.03938	0.2
55.05510	1.6
55.67185	0.2
57.03417	1.2
57.07053	0.3
67.05487	4.4
69.03412	2.8
69.06712	0.3
69.07056	5.9
71.04980	0.2
74.04122	0.2
79.05469	3.9
81.07037	23.0
83.08569	0.4
83.31822	0.2
85.02901	1.7
85.06519	0.3
85.10143	0.2
87.04437	1.8
91.05459	8.0
93.07024	5.6
93.55033	0.2
95.04939	0.9
95.08580	6.7
97.02879	1.5
103.05432	0.8
105.07011	65.2
107.08583	5.6
109.06548	0.2
109.10138	6.6
111.11695	0.2
113.05917	1.5
115.03910	1.9
117.07000	3.1
119.08558	100.0
120.08900	0.2
121.10120	6.0
123.11729	1.5
125.05979	0.3
131.08516	0.5
133.04900	1.5
133.10100	12.0
135.11621	0.4
145.10106	0.9
146.10866	0.5
147.11662	15.3
149.97618	0.2
150.07588	1.3
159.11626	0.2
159.43907	0.2
160.12442	1.2
161.13214	3.5
175.14795	1.1
179.78558	0.2
186.43695	0.2
203.17921	30.2
232.65894	0.2
235.78619	0.2
242.98303	0.2
284.28455	0.2
315.71698	0.2
353.20908	0.3
371.22012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
54.81789	0.4
55.01866	3.8
55.05504	1.1
57.03427	3.8
61.02904	1.1
63.64738	0.4
64.53011	0.4
64.76466	0.4
65.70612	0.4
67.05496	0.8
69.03415	15.1
70.06579	0.8
71.04978	0.8
72.08140	0.6
73.02898	2.2
77.87003	0.4
79.05474	4.3
81.03401	10.6
81.07037	100.0
83.04967	2.2
85.02892	24.4
85.06534	2.0
91.05459	0.6
93.07013	0.8
97.02868	13.5
99.04427	4.0
99.08078	8.6
101.02348	2.0
103.52989	0.5
105.50266	0.5
108.04455	0.7
109.02863	13.6
109.06510	11.4
111.04429	2.3
119.04935	0.6
122.03632	0.6
123.04424	0.6
127.03888	22.0
127.07528	55.9
135.04398	0.5
137.05956	18.7
138.06296	5.4
145.04971	5.1
145.08575	57.0
155.07005	3.2
163.03801	3.4
163.05937	0.6
167.07008	10.7
168.07320	6.2
169.07599	0.9
173.08064	24.1
179.03253	0.5
180.08725	0.9
191.09120	3.5
227.93275	0.6
233.10188	0.6
253.10670	5.5
271.11887	0.9
281.10187	0.8
289.12793	0.7
299.11185	27.3
317.12320	12.1
335.13281	8.0
432.86612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52828	0.2
53.03929	1.6
55.01875	0.3
55.05498	1.9
57.03419	1.2
59.04983	0.6
59.27483	0.2
59.38016	0.3
60.66489	0.3
61.02905	0.3
67.05497	0.7
69.03418	5.2
69.07050	0.3
70.06570	0.6
71.04964	1.5
73.02895	0.3
79.05467	1.4
81.03416	3.1
81.07041	1.4
83.04961	2.0
85.02891	6.1
85.06510	0.3
86.09686	1.3
87.04447	0.5
88.09534	0.3
91.05471	2.2
92.09161	1.3
92.97709	0.3
93.07013	1.3
95.04963	0.6
95.08585	1.2
97.02876	10.7
97.06507	0.5
99.04416	1.5
103.05447	0.4
105.06979	2.2
107.04927	0.4
107.08548	1.5
109.02861	4.1
109.06507	0.6
109.10107	0.3
117.03370	0.4
119.04946	3.4
119.08546	0.6
121.06480	2.0
121.10109	0.3
123.08057	0.3
127.03894	4.3
128.04945	7.7
131.08537	0.3
133.06474	4.8
133.10135	0.7
134.06821	0.7
135.07974	0.5
137.05965	6.4
143.08501	0.4
145.02834	2.1
145.04927	0.3
145.10075	0.4
146.05992	100.0
147.04384	7.8
147.06302	0.4
147.11604	0.4
149.09581	0.7
160.07538	0.6
162.05438	2.3
163.03926	0.3
163.06006	0.3
163.11140	1.3
167.06993	0.3
169.05125	0.4
169.50757	0.3
174.05478	49.6
175.10905	0.3
177.05420	3.2
179.06985	0.6
189.12706	0.7
190.04967	1.6
191.14275	0.4
203.10657	0.4
207.13762	2.2
208.14160	1.2
245.10246	0.4
300.08609	20.6
318.09677	7.4
336.10706	1.4
484.15939	0.5
490.36005	0.3
503.38049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2926
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
53.25684	0.3
54.81902	0.5
55.05497	0.5
58.40144	0.4
67.05489	0.5
67.62294	0.4
73.33340	0.5
92.08659	0.5
93.06997	0.5
94.97440	0.5
95.08556	0.6
123.51663	0.4
182.42398	0.5
187.03647	2.5
196.01114	0.5
258.23599	0.5
312.44479	0.5
358.75931	0.5
367.24451	17.0
531.29187	100.0
532.29504	1.0
545.32275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37659	0.4
55.01844	0.6
55.05499	4.1
57.03422	1.0
57.08643	0.4
57.30582	0.4
59.04986	1.1
67.05489	5.8
69.03403	2.6
69.07022	1.0
71.04967	0.7
75.04440	0.7
79.05473	9.1
81.07037	10.5
83.04979	2.9
83.08618	1.3
83.77836	0.5
85.02885	12.7
85.06536	8.9
86.09698	0.7
87.04447	18.9
91.05460	17.3
93.07028	13.6
95.04942	2.6
95.08592	9.0
97.02910	1.1
97.06472	0.8
99.04428	2.4
105.07014	17.8
107.08569	15.4
109.06493	0.7
109.10143	3.9
110.07153	1.2
111.04418	2.9
113.05979	0.6
115.05466	1.0
116.06191	2.5
117.06995	5.1
119.08556	16.7
121.06446	0.7
121.10129	2.8
123.04428	0.6
123.08035	0.6
128.06192	1.1
129.05466	2.5
129.06967	8.9
130.07729	1.0
131.08540	14.0
133.04930	0.7
133.06465	1.0
133.10117	9.7
135.08006	1.0
135.11623	0.6
142.07753	1.0
143.07019	2.5
143.08548	4.4
145.10100	5.5
146.53661	0.6
147.08035	3.5
147.11665	5.4
155.08551	2.9
156.09367	0.6
157.10117	2.6
159.08034	2.1
159.11671	5.5
161.09544	0.8
161.13245	2.3
163.07495	0.7
167.08525	0.8
169.10107	2.3
171.07962	0.7
171.11676	2.2
173.09534	1.0
173.13260	2.8
175.07504	32.5
175.11104	0.8
175.14783	23.6
175.16318	0.8
177.09097	2.3
177.12650	0.8
179.06989	3.1
181.10078	1.0
183.11687	1.2
185.13208	0.6
187.14827	0.7
189.09096	2.9
195.11597	0.9
197.13307	0.9
199.11169	1.0
201.09154	1.0
207.11586	0.5
209.13260	0.7
212.37001	0.7
225.09116	1.0
227.10707	0.7
239.10510	0.5
241.12140	1.2
248.13965	0.5
335.19962	4.3
353.21054	8.4
355.22537	1.1
371.22089	100.0
372.22235	1.0
412.24091	0.7
414.49689	0.6
531.39197	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	531.2929
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
52.26999	0.6
54.81615	0.7
57.98876	0.6
67.05473	1.0
85.13677	0.8
91.05488	0.9
93.07070	0.9
109.10123	1.1
121.10164	1.0
166.71060	0.7
241.14690	0.9
367.24551	11.1
399.92731	1.0
531.29218	100.0
534.76697	0.8
547.42047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
55.05505	7.9
57.03421	7.4
57.07055	1.1
59.04996	2.1
59.89264	1.0
61.02913	15.6
67.05490	17.5
69.03414	34.4
69.07044	7.5
71.04984	8.9
73.02905	5.8
79.05467	18.5
81.03400	16.5
81.07029	33.2
83.04964	4.2
83.08609	5.3
85.02886	100.0
85.06522	13.7
87.04450	6.8
88.14533	1.0
91.03921	2.2
91.05456	21.4
92.09001	6.1
93.07017	37.2
95.04931	4.6
95.08580	31.4
97.02866	32.8
97.06492	1.8
97.10138	1.7
99.04413	7.8
99.08060	2.6
101.06007	1.7
105.03402	1.6
105.07006	51.4
107.08569	49.8
109.02854	12.7
109.06489	6.3
109.10136	19.1
111.04409	1.7
111.08079	4.4
113.05961	2.2
117.03352	2.2
117.06991	10.0
119.07710	1.7
119.08553	34.7
121.10130	28.8
123.08054	5.1
123.11678	6.5
125.09614	1.8
127.03886	23.2
128.06119	1.2
129.06964	5.0
130.07820	1.4
131.08543	37.1
132.08920	1.2
133.02806	7.0
133.06479	1.2
133.10107	32.1
135.08072	1.1
135.11656	18.5
137.09628	5.9
141.09123	1.3
142.07715	1.8
143.08514	19.0
145.02843	7.3
145.04926	14.0
145.10107	51.1
147.04436	1.4
147.11667	40.3
149.09642	4.2
149.13239	10.2
151.11160	2.0
155.08543	6.1
156.09293	2.3
157.10088	20.6
159.10349	2.2
159.11653	40.1
161.09604	2.2
161.13210	37.2
163.03868	4.5
163.11134	3.7
163.14790	1.5
165.12750	4.2
169.10127	6.8
171.11638	20.9
173.09639	1.2
173.13225	20.1
175.11148	2.6
175.14793	10.0
177.05392	12.9
179.03308	1.8
181.10039	4.2
183.11656	9.5
185.13246	18.0
187.11153	10.8
187.14754	8.8
189.12695	19.7
195.11685	4.8
197.13200	13.5
199.14807	17.0
201.12682	2.5
201.16331	11.6
203.14284	13.1
205.06955	1.7
209.13188	7.1
211.14827	5.0
213.16321	10.2
215.14243	7.5
215.17897	2.2
217.15836	2.2
223.14801	12.1
225.16412	1.7
227.17917	6.4
237.16267	2.4
239.17868	10.5
241.15836	4.6
251.17877	4.8
253.19435	12.6
254.20233	3.9
255.17448	1.1
255.18118	1.5
255.21007	36.8
257.18903	4.9
269.19025	4.8
269.22458	1.9
273.22116	6.8
279.20969	30.7
287.20111	1.8
296.20837	1.4
297.22055	96.2
307.08304	1.6
312.90042	1.0
315.23111	83.4
331.22714	1.1
333.24146	51.0
335.07623	1.2
362.38141	1.2
477.28329	35.0
495.29410	95.6
496.29730	1.3
529.25079	5.9
530.25360	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36695	0.5
53.00297	1.0
53.03935	4.2
55.01867	5.7
55.05502	27.6
57.03426	26.1
65.03931	1.1
67.05491	41.9
69.03413	6.7
69.07060	13.1
71.04962	7.9
76.08816	0.6
79.05474	39.9
81.03400	100.0
81.07037	47.4
81.07523	1.5
83.04470	0.9
83.04961	31.1
83.08602	32.1
85.02890	44.3
85.06527	4.0
87.04525	0.8
90.74582	0.7
91.05460	57.3
93.07018	27.7
95.04945	37.7
95.08582	19.4
96.97908	0.7
97.02862	5.0
97.06507	5.9
97.10154	5.1
99.08072	1.3
103.05432	1.0
105.07005	39.5
107.04937	11.7
107.08572	14.0
109.06496	10.1
109.10136	4.7
111.04423	4.3
111.08070	11.9
113.05981	9.9
115.05484	0.7
117.07016	2.9
119.08556	32.0
121.06470	1.1
121.10126	16.5
123.08047	4.4
123.11678	1.4
125.09574	1.7
129.06984	18.9
129.08632	0.7
131.08546	19.7
133.06480	4.4
133.10106	18.8
135.11629	0.7
137.05959	1.0
137.09604	2.8
142.07709	6.8
143.08543	0.9
145.10089	3.4
147.08011	5.1
147.11659	19.5
149.09616	9.5
157.10085	25.1
165.12666	5.0
175.11131	21.6
184.19427	0.7
193.12213	48.1
201.16322	1.0
211.13248	70.1
229.98952	0.7
267.15823	18.5
285.16891	71.9
367.22391	1.1
369.20593	4.4
404.86371	0.7
451.94077	0.7
459.27283	9.8
477.28299	12.1
481.25766	0.8
495.29413	35.7
522.65436	0.8
530.34863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
57.03429	0.4
62.51142	0.3
69.03419	2.0
73.87670	0.3
74.44282	0.3
78.04711	0.6
79.05478	0.7
81.03384	1.2
85.02877	5.0
87.04444	0.4
91.05460	2.0
94.04165	1.4
95.04929	0.5
97.02882	2.0
99.04440	0.8
103.05442	1.2
105.07052	0.3
105.76423	0.3
106.04140	1.5
107.04953	0.5
109.02869	0.4
111.04395	0.4
114.35416	0.3
117.03352	0.4
119.04966	0.7
121.06476	1.8
122.03605	3.9
123.04414	4.6
124.05179	1.7
125.16939	0.3
127.03884	1.1
131.04890	2.6
133.02870	0.4
135.04424	0.5
137.05949	100.0
138.06273	0.5
145.04942	0.5
147.04369	0.5
149.05957	0.7
151.03888	1.4
151.07545	3.3
152.04659	2.1
153.05440	1.3
153.06953	1.1
155.08514	1.6
161.05911	1.2
163.03874	1.7
163.07526	2.2
165.06950	4.2
167.06995	99.3
168.05695	0.7
168.07227	0.3
174.92590	0.4
175.07523	0.3
177.05396	0.4
179.06969	0.5
180.08676	0.6
181.06468	1.5
181.08122	0.3
183.07994	5.2
193.06404	0.6
196.05200	0.4
197.05978	0.4
200.08171	0.4
207.04399	1.3
211.07510	6.5
212.08235	0.7
214.84515	0.3
215.10535	0.7
221.05907	0.6
223.07376	0.4
225.09032	1.2
227.07010	0.5
228.07651	0.3
239.06963	2.2
240.07416	0.3
243.10126	4.6
245.08017	0.5
255.10060	0.3
271.09583	6.6
272.10449	1.2
283.09540	1.6
288.09784	1.9
303.12186	17.6
304.12473	0.5
315.12247	4.5
333.13330	2.4
480.80261	0.4
533.01483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81477	0.2
68.42823	0.2
69.03404	0.5
69.63776	0.2
72.79608	0.2
78.04696	0.9
79.05471	0.9
85.02879	2.0
87.68284	0.2
91.05454	0.9
92.09145	0.2
94.04148	1.4
95.04951	0.5
95.14066	0.2
97.02874	0.8
103.05481	0.4
106.04135	1.0
106.04795	0.2
107.04939	0.4
107.46813	0.2
109.02869	0.3
115.83546	0.2
119.04956	0.4
121.06460	0.5
122.03618	3.8
123.04401	3.9
124.05183	1.4
127.03889	0.5
131.04890	0.5
134.03604	0.5
135.04340	0.5
137.05951	98.0
147.04347	0.5
149.05966	0.3
151.03838	1.1
151.07498	1.2
152.04640	1.3
153.05470	0.9
153.06984	0.3
155.08511	0.4
160.47760	0.2
161.05927	0.9
163.03897	0.4
163.07535	0.3
163.23335	0.2
164.04193	0.2
165.05701	0.3
165.06958	1.7
167.06996	100.0
168.05676	0.4
168.07314	0.4
177.06895	0.3
179.07019	0.4
181.06577	0.2
183.07996	2.5
185.36407	0.2
193.06500	0.3
195.07907	0.3
196.05186	0.4
197.07886	0.4
205.04671	0.5
206.04863	0.3
207.04274	0.4
210.06764	0.4
211.07457	2.5
225.09137	0.3
228.07632	0.3
239.06958	1.0
240.07611	0.3
243.10129	2.1
245.08191	0.3
251.06909	0.3
255.10057	1.2
271.09631	2.4
283.09546	1.8
288.09589	0.3
303.12231	5.8
315.12207	5.0
333.13235	4.9
459.94684	0.2
529.18073	0.3
530.19250	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	529.3497
Annotation	Camarinic acid
Peak:m/z	Relative Intensity
50.76886	1.8
54.81575	2.2
57.07057	1.9
62.05231	1.9
62.54080	2.1
64.83376	2.2
67.05488	9.8
71.51450	2.2
81.07024	5.1
88.01791	2.5
95.08578	3.8
110.34708	2.3
129.01427	2.4
195.09964	4.3
214.66226	2.4
256.26251	4.2
310.16885	2.7
377.88406	2.8
396.48022	2.7
529.34839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01863	0.6
55.05499	2.4
55.62939	0.4
57.03445	1.6
57.07055	0.7
59.04977	1.0
61.02905	1.1
64.48904	0.4
67.05494	7.4
69.03409	4.1
69.07046	2.8
71.04964	2.3
73.02895	0.6
79.05476	8.7
81.03403	2.1
81.07037	12.2
83.04952	2.2
83.08607	1.1
85.02890	10.2
85.06539	1.9
87.04445	1.7
91.05454	6.9
93.07021	13.4
95.04951	2.3
95.08578	12.6
97.02894	4.3
97.06503	2.8
99.04434	2.8
99.08047	0.5
105.06360	0.9
105.07014	17.7
106.07338	0.6
107.04947	0.6
107.08579	20.7
109.02835	0.6
109.06492	3.7
109.10144	7.2
111.08052	1.0
115.03840	0.5
117.07011	4.9
119.08561	13.6
119.77496	0.4
121.06483	2.3
121.10112	8.0
123.08072	4.3
123.11687	2.2
127.03924	1.1
128.06203	0.6
129.07001	3.0
131.08551	12.7
133.06500	1.5
133.10097	11.7
135.08038	2.9
135.11665	3.9
137.05948	1.0
137.09607	1.0
139.07520	0.9
141.06947	0.9
143.08539	10.0
145.04959	0.8
145.06459	0.7
145.10103	21.1
147.04321	1.5
147.08057	2.0
147.11664	7.6
149.09613	2.5
149.13217	1.0
151.07510	1.0
151.11182	0.7
153.09254	0.5
155.08554	3.5
157.10117	9.5
159.08052	1.1
159.11652	12.0
161.09590	4.0
161.13199	4.1
163.11128	2.1
165.09370	0.6
167.07047	1.1
167.08533	0.6
169.10104	7.0
171.11636	8.4
173.09557	1.0
173.13231	5.4
175.11203	3.3
175.14786	0.8
175.27852	0.4
177.05380	0.8
177.09090	0.5
177.12709	2.2
181.10060	3.0
183.11658	4.4
183.13446	0.4
185.09599	1.0
185.13190	5.3
187.11156	5.1
187.14766	2.4
189.12743	2.8
190.06262	0.5
191.10654	2.0
193.10219	0.7
193.12190	0.6
195.11678	3.9
197.13217	5.0
199.11137	1.0
199.14838	2.6
199.92212	0.4
201.12729	2.2
203.10632	0.8
203.14330	1.7
205.12222	3.0
206.10869	0.6
207.11697	0.9
209.13326	2.2
211.14760	3.8
213.12712	2.0
213.16287	0.9
215.14246	1.0
217.15866	1.1
219.01758	0.7
219.11810	0.8
219.13753	1.0
221.08084	2.1
221.13274	0.9
223.13235	3.0
225.16319	2.2
227.16203	0.7
229.15863	0.8
233.15376	0.7
235.14833	0.7
235.16945	1.0
237.02658	0.8
237.16353	4.1
239.14156	1.0
241.19482	1.0
249.16376	1.1
251.17877	5.6
252.18581	1.9
253.15790	0.8
253.19470	7.6
255.17393	2.5
265.19400	0.8
267.17517	0.8
267.20969	1.8
269.18887	3.6
270.19461	0.8
271.20468	3.4
277.19495	4.6
281.40274	0.4
283.20468	2.1
285.22076	0.7
287.19946	1.0
295.20514	16.4
301.10559	0.6
301.21539	2.4
313.21573	19.0
314.21808	0.9
331.22528	14.2
332.23010	0.6
349.23615	17.1
350.24115	1.9
365.23376	0.7
366.23447	2.0
367.24710	100.0
447.13052	0.5
529.24670	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	529.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01863	5.4
55.05498	6.5
57.03432	10.9
59.04963	1.6
61.02915	11.2
63.30317	1.2
65.03943	1.3
65.22215	1.2
66.24683	1.3
67.05495	17.9
69.03413	44.3
69.07058	7.6
71.04973	7.6
73.02885	5.7
79.05476	18.8
81.03401	20.3
81.07039	30.5
83.04963	8.2
83.08616	2.1
85.02887	100.0
85.06535	5.1
86.09695	8.0
86.55376	1.1
87.04446	9.9
91.03934	6.0
91.05452	26.7
93.07021	22.7
95.04964	11.0
95.08584	23.3
97.02866	41.0
97.06504	5.9
99.04440	7.3
99.08141	1.4
105.07011	34.3
106.75871	1.5
107.04936	5.7
107.08589	35.1
109.02867	13.9
109.06509	13.8
109.10130	12.7
111.04459	1.8
115.03933	2.1
115.05480	1.7
117.06993	14.2
119.08563	24.0
121.02854	1.8
121.06496	6.4
121.10088	13.5
123.04482	1.5
123.08088	8.8
123.11677	1.6
125.05968	1.5
127.03889	25.1
128.06201	1.3
129.06990	5.7
131.08536	24.6
133.06488	2.7
133.10094	19.3
135.08031	7.7
135.11665	8.1
137.05939	8.1
137.09593	1.7
137.15819	1.4
141.06992	5.2
142.07785	2.6
143.08545	25.4
144.09344	1.7
145.02856	1.4
145.04947	9.2
145.06465	9.0
145.10097	29.4
147.08072	6.4
147.11659	30.2
149.09637	2.6
149.13281	2.0
151.11189	2.9
155.08537	7.5
156.09302	1.9
157.10118	23.4
159.08041	13.3
159.11684	27.0
161.09560	19.9
161.13246	5.1
163.07495	2.3
167.06989	10.4
167.08400	2.2
168.09250	1.4
169.10066	16.5
171.08031	2.1
171.11664	10.5
173.09573	5.0
173.13182	8.9
175.11205	8.1
177.05487	3.2
181.04839	1.8
181.10088	2.2
181.15550	1.6
183.11623	10.6
185.09622	2.8
185.13196	15.0
187.11118	8.4
187.14847	6.4
189.12708	7.9
193.10176	1.3
195.11723	6.5
197.13216	9.5
199.11266	3.0
199.14832	7.5
201.12775	6.7
201.16321	19.5
203.10701	1.8
205.12186	2.7
209.13206	3.0
211.14796	7.0
213.12730	2.3
213.16353	5.6
215.14343	2.1
217.15831	1.8
219.13809	2.3
219.17432	2.8
221.13206	2.8
223.14819	1.6
225.16299	5.5
227.17924	6.1
229.16032	1.6
235.14784	1.7
237.16302	2.1
249.16202	1.5
251.17827	13.3
253.15863	6.7
253.19577	10.3
267.20908	9.6
268.17603	1.3
269.18967	16.7
271.17014	2.2
271.20514	7.8
276.92245	1.2
277.19461	7.3
285.22049	6.7
287.20010	7.7
289.21558	2.2
295.20477	23.8
301.10666	1.4
313.21515	37.6
331.22675	21.2
366.23724	2.6
367.24231	1.8
369.61865	1.3
410.26389	1.6
425.21582	3.0
449.25314	4.8
463.26404	1.6
465.27902	1.4
475.26782	14.4
493.27872	76.4
511.28818	5.0
529.18475	2.9
529.29968	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	529.2771
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
58.49918	0.3
59.06096	0.4
69.22070	0.3
79.05453	0.4
81.07032	0.8
89.27938	0.3
91.05429	0.4
92.08657	0.5
93.06986	0.5
95.08592	0.6
102.06647	0.4
121.10145	0.5
140.88631	0.4
152.18245	0.4
181.38432	0.4
187.03667	0.8
362.32303	0.4
365.22906	18.7
529.27618	100.0
530.27863	2.0
558.65503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01863	2.7
55.05289	1.9
55.05500	27.7
57.03426	10.5
57.07061	2.5
59.04978	2.2
61.02907	8.3
67.05495	16.7
67.45993	2.2
69.03421	26.5
69.07047	12.1
71.04968	4.0
73.02879	2.4
79.05481	12.8
81.03386	12.2
81.07045	29.5
82.06565	2.5
83.01371	2.1
83.04940	7.7
83.08597	13.2
84.08130	2.9
85.02363	2.1
85.02884	64.2
85.06513	10.2
87.04452	8.9
91.05464	13.9
93.07023	24.2
95.04955	2.5
95.08578	34.2
97.02874	23.2
97.06485	2.3
99.04443	11.0
100.11233	56.7
103.05528	1.9
105.07013	34.6
107.08600	23.3
109.02896	3.9
109.10138	28.4
110.06078	2.5
111.04417	9.0
111.08064	8.9
111.11720	2.6
112.07558	2.6
115.03875	2.6
117.07022	3.6
119.08549	36.1
120.39502	2.1
121.06469	2.6
121.10123	18.4
123.08077	2.8
123.11631	3.3
127.03907	8.0
128.07071	3.4
129.06984	13.5
131.08548	27.2
133.10085	28.1
135.08031	8.6
135.11650	10.9
137.05933	3.5
137.09596	17.2
139.07492	2.3
141.06990	3.7
142.07774	3.6
143.08543	29.0
145.02718	2.6
145.04976	3.1
145.10100	42.0
147.04341	3.3
147.08041	3.4
147.11624	18.5
149.13246	3.6
151.07545	2.5
151.11127	2.4
155.08485	17.4
156.09303	9.4
157.10107	30.6
159.11673	35.9
161.09586	9.3
161.13187	9.3
163.11198	4.0
167.07001	3.7
169.10088	22.4
171.11642	53.7
173.13167	16.8
173.87134	2.3
175.11101	3.4
175.14784	2.6
181.09993	8.1
182.10886	3.7
182.15346	25.3
183.11684	21.2
185.13216	17.3
187.11121	4.5
187.14828	3.2
189.12724	5.1
193.12219	2.3
195.11594	5.4
197.13214	39.7
199.14825	31.8
201.12752	4.5
207.11618	2.8
209.13220	8.9
209.16470	5.0
210.14861	13.7
211.14771	22.0
212.15594	3.5
213.12741	4.6
213.16301	9.5
215.14278	3.5
217.15869	3.9
221.13196	14.2
223.14726	4.9
225.12737	8.2
225.16299	5.5
226.18944	2.5
227.17729	3.8
235.14818	4.8
237.16306	2.7
239.14241	8.2
239.17920	4.7
243.13863	3.6
251.17940	10.2
253.15651	4.2
253.16623	3.4
253.19467	82.0
267.20956	10.6
269.18936	5.3
271.20502	30.4
277.19534	19.3
287.19989	4.6
295.20462	56.2
313.21533	100.0
331.22574	95.1
340.45386	2.2
349.23651	40.2
367.20609	3.9
367.24777	69.9
389.81427	4.3
529.24994	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	529.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.9
55.01843	1.7
57.03170	0.3
57.03427	4.9
57.40537	0.3
59.04974	0.7
61.02912	4.8
69.03414	17.7
70.78443	0.3
71.01315	1.7
71.04974	2.9
73.02893	3.4
81.03002	0.3
81.03400	5.3
81.07019	0.4
83.01261	0.3
85.02886	17.0
87.04462	2.2
91.03920	0.4
91.05441	0.5
92.08978	0.3
97.02877	7.3
99.04437	3.3
101.02362	0.4
103.03909	0.4
107.08499	0.4
109.02860	2.4
112.83188	0.3
115.03869	0.5
117.05461	0.5
118.06512	0.7
119.14491	0.3
123.08028	0.6
127.03912	2.5
145.02779	0.6
145.04901	0.5
145.07587	5.6
146.08342	0.3
147.09145	17.4
159.09137	7.2
160.09891	0.6
161.10667	0.4
173.07066	0.4
173.10701	0.7
175.08632	2.1
185.10724	3.4
186.11584	0.4
187.08568	1.4
187.12268	1.2
189.10173	1.6
191.08115	100.0
192.08409	0.5
197.10735	1.2
199.08661	0.5
199.12296	1.8
199.16919	0.4
201.10190	0.7
213.10175	1.9
215.08160	0.5
215.11746	1.6
216.05669	0.6
216.07637	10.6
225.10207	0.6
227.16335	0.5
229.13329	0.4
231.11342	0.4
243.11145	0.6
245.09055	1.4
245.12903	0.5
253.09911	0.4
259.10693	0.4
263.13843	9.7
271.10764	1.2
289.11765	5.5
307.12827	69.7
313.21982	0.4
350.13394	50.3
351.13785	0.3
384.45505	0.3
469.18146	1.3
512.18652	67.5
513.19214	0.4
529.25946	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	529.277
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
53.45275	0.3
54.81783	0.5
63.73227	0.4
66.11925	0.4
81.03377	0.5
81.07047	0.6
81.59773	0.5
104.89117	0.5
105.40752	0.5
119.08591	0.6
129.70093	0.4
203.47246	0.5
258.40216	0.5
258.59952	0.5
277.07977	0.5
280.83969	0.4
318.62018	0.6
365.22867	12.9
365.26950	0.7
529.27655	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	528.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.2
57.06811	2.6
57.07067	47.7
58.62175	1.5
59.94661	1.5
60.84022	1.7
63.08033	1.8
65.91817	1.7
67.83036	1.7
68.73769	1.5
71.02271	1.4
71.08252	1.9
71.08622	34.6
73.06532	9.3
81.07051	2.8
83.08591	8.9
85.10172	27.9
87.04456	8.9
89.06008	100.0
99.11700	2.0
106.42374	1.8
107.07059	9.2
117.09144	3.1
118.95139	1.9
133.08594	37.1
177.11194	11.2
185.18997	2.7
221.13821	2.2
229.21619	9.4
273.24280	7.4
327.20059	2.4
371.22482	3.3
423.32462	2.0
462.28534	1.8
463.38986	1.7
467.34955	1.9
511.38376	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	528.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01854	0.9
55.05499	3.9
57.03417	2.0
57.07056	0.7
61.02905	5.3
67.05490	7.1
69.03417	11.1
69.07037	5.2
71.04977	4.2
73.02888	1.9
79.05480	6.3
81.03391	3.8
81.06596	1.4
81.07036	21.4
83.04968	1.7
83.08606	3.4
85.02885	25.8
85.06529	15.8
87.04446	3.6
91.03926	2.0
91.05455	10.0
93.07013	16.2
95.08578	19.1
97.02867	8.4
97.06509	12.2
97.10171	1.3
99.04414	1.6
105.07003	19.0
107.08574	21.4
109.02840	2.0
109.06496	10.2
109.10132	8.2
111.08035	1.7
113.06030	1.2
115.03920	1.4
117.06977	6.1
119.08553	15.3
119.49673	0.9
121.06490	6.3
121.09385	1.0
121.10107	8.2
123.08069	7.0
123.11685	1.6
125.09647	1.5
127.03897	5.4
128.06244	0.9
129.06984	3.9
131.07635	1.7
131.08543	25.8
133.10091	18.0
135.08012	6.4
135.11710	6.3
137.05968	1.0
137.09589	4.7
139.07503	1.2
141.06969	1.5
141.09047	1.0
143.08522	7.7
145.04965	2.0
145.06494	0.9
145.10092	26.7
147.04338	1.1
147.07988	1.4
147.11668	10.6
149.09593	3.9
149.13231	4.2
151.07466	3.6
151.11186	1.1
153.09006	0.9
155.08501	3.4
157.10112	10.8
159.11649	12.7
161.09589	4.4
161.13182	7.4
163.11115	3.3
163.14799	4.4
169.10133	8.7
171.11623	12.6
173.09599	1.4
173.13219	53.0
175.11174	5.0
175.14796	6.2
177.12686	6.0
183.11603	5.9
185.13245	4.3
187.11174	1.5
187.14777	1.9
189.12715	4.4
191.14304	7.1
193.09967	1.0
195.11662	2.0
197.13219	6.2
199.11084	1.3
199.14847	5.7
199.16617	1.2
201.12660	1.0
201.16362	1.8
203.14262	1.7
207.11635	1.1
207.91141	0.9
209.13245	1.8
211.14720	8.2
213.12758	1.9
213.16405	1.6
215.14278	1.6
217.15889	3.5
221.13220	3.8
223.14708	1.6
225.16428	3.9
227.14339	1.0
227.17882	1.4
229.15849	1.9
231.13651	1.0
231.17459	1.2
237.16380	3.7
239.14244	4.1
239.17879	3.3
249.16348	1.5
251.17821	6.1
253.15829	1.0
253.16982	0.9
253.19484	10.9
255.17410	3.4
257.15292	0.9
262.17255	1.0
267.21033	5.3
269.18954	9.9
271.20575	5.3
277.19470	7.6
285.18430	6.7
285.22031	4.4
287.19946	11.3
295.20486	32.2
313.21555	46.9
331.22601	60.6
349.23657	100.0
387.77084	0.9
475.26041	1.4
493.27930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.12215	0.5
55.01868	0.8
55.05510	4.4
57.03419	1.4
61.02903	2.3
67.05485	3.9
69.03415	9.6
69.07043	2.4
69.19794	0.6
71.04971	4.9
78.33523	0.6
79.05463	6.5
81.03407	4.1
81.07030	11.9
83.08588	2.8
85.02886	35.0
85.06523	16.4
91.05444	10.7
92.08654	0.7
92.09150	1.2
93.07018	8.0
95.04943	1.1
95.08579	16.3
97.02871	8.7
97.06501	3.0
97.10139	1.2
99.04435	3.0
99.08035	0.6
105.03376	15.7
105.07008	20.4
107.04948	9.5
107.08578	8.8
109.02856	5.4
109.06487	1.5
109.10148	5.3
110.15061	0.6
114.57383	0.6
117.06998	2.9
119.08551	7.5
121.06442	2.5
121.10115	5.1
123.08042	2.7
123.11667	0.7
124.07579	0.8
125.05956	1.0
127.03867	6.9
129.06934	1.5
131.08546	10.4
133.10104	8.6
135.07973	0.7
135.11644	2.9
135.46098	0.6
137.09613	0.7
141.06964	0.8
143.08563	5.7
145.10104	21.5
147.08075	0.9
147.11682	11.8
149.13188	5.6
155.08528	3.9
157.10063	10.0
159.08017	1.0
159.11644	7.7
160.08836	0.8
161.09499	2.4
161.13200	4.3
163.11122	0.8
167.08455	0.9
169.10077	4.1
171.07994	8.2
171.11671	3.9
173.09578	11.9
173.13206	10.4
175.11140	13.6
175.14764	2.7
177.12695	4.2
179.08519	0.6
181.10083	3.3
183.11635	4.5
185.09607	1.1
185.13316	1.1
187.11157	2.8
187.14725	0.8
189.12727	1.1
189.16368	4.7
191.10593	0.7
191.14223	8.0
193.10077	3.2
195.11707	3.7
197.09575	1.1
197.13222	4.0
198.10416	1.4
199.11119	14.2
199.14847	1.3
201.12709	31.1
207.11600	3.1
209.13271	1.2
209.15289	1.0
211.11169	10.1
211.14740	3.7
212.11966	0.7
213.12677	6.8
213.16339	1.2
215.14288	2.9
217.12245	8.9
217.15768	1.2
221.13248	4.6
225.12714	13.1
225.16315	3.0
227.14308	4.7
229.12178	3.5
229.15842	1.1
231.13702	2.4
235.14815	1.4
237.16382	2.5
239.14235	10.0
241.15706	0.7
243.13678	7.0
245.15306	1.0
251.17886	2.4
253.15733	1.4
253.19456	5.5
255.07509	0.8
255.17372	14.1
257.09222	2.7
257.15302	2.6
266.16550	0.8
267.17355	3.0
267.21017	6.7
271.20438	3.6
277.19452	12.1
283.07251	0.8
285.08603	1.0
285.18546	1.5
285.21930	0.9
287.10132	1.2
295.20499	53.2
313.21548	62.9
331.22592	100.0
465.53357	0.6
468.16751	0.9
493.27731	7.5
496.17169	1.3
529.24048	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	528.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.20437	0.8
55.01865	1.9
55.05501	4.0
57.03420	2.0
61.02906	4.6
64.55967	0.8
67.05492	10.6
67.61144	0.7
69.03417	11.1
69.07054	5.3
70.53749	0.7
71.04974	9.8
72.78037	0.7
73.02910	1.3
79.05483	7.5
81.03397	4.6
81.07044	26.2
83.04960	1.3
83.08607	4.7
85.02419	1.6
85.02896	36.3
85.06535	15.7
87.04450	1.8
91.03918	1.3
91.05450	11.3
93.07018	16.7
95.04959	1.0
95.08588	12.3
97.02863	10.5
97.06534	1.9
99.04436	1.8
99.08092	1.9
105.07014	29.0
107.08581	14.4
109.02890	3.6
109.06503	3.4
109.10160	4.2
110.21409	0.8
111.08067	38.2
111.08821	1.7
113.05994	4.8
117.07009	6.9
119.08559	17.2
121.10132	6.6
123.08083	6.0
125.09592	1.4
127.03903	5.3
129.06999	5.7
131.08542	10.8
133.10083	11.9
135.08040	0.9
135.11685	3.7
137.09607	1.2
141.07036	1.8
142.07756	3.6
143.08546	15.4
144.09328	1.2
145.04970	3.8
145.10117	19.6
147.11647	5.9
149.09628	1.8
149.13277	1.2
153.09111	10.5
155.08548	8.8
157.10112	19.9
159.11665	26.9
161.13220	24.1
163.11223	1.1
165.09096	1.1
165.12688	1.4
167.10721	1.3
169.10138	8.1
171.11649	9.8
173.13255	5.9
175.11168	1.4
175.14804	1.4
177.12801	1.0
179.08696	1.0
181.10146	4.1
182.10875	1.9
183.11642	8.8
185.13217	11.4
187.11188	2.0
187.14819	2.0
189.12726	1.2
193.10120	1.3
195.11685	10.6
197.13222	15.5
199.11099	1.3
199.14806	8.1
199.16458	1.0
201.12698	1.3
201.16367	14.5
203.14381	1.2
206.81302	0.8
207.11655	1.5
209.13322	4.4
210.14064	1.7
211.14725	8.0
213.12816	1.7
213.16457	4.0
215.14299	4.2
217.16043	1.4
218.83846	0.8
219.17345	1.4
221.13193	5.7
223.14767	1.6
224.84874	1.0
225.16368	6.1
229.15878	2.9
233.15349	1.2
235.14861	1.9
237.16246	7.1
239.14276	1.0
251.17819	7.2
252.18784	4.7
253.15749	1.1
253.16606	0.9
253.19426	16.1
255.17418	3.0
269.19046	1.5
271.20413	6.5
276.80292	0.9
277.19556	6.3
295.20517	44.4
309.52197	0.9
313.21570	61.3
331.22635	40.8
493.27896	5.1
520.72699	0.9
527.24457	17.6
528.24890	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	528.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.8
57.03424	11.6
57.07067	22.5
59.04987	8.2
67.71752	0.8
69.03416	32.8
69.07053	96.9
71.04979	6.9
71.08616	16.0
73.06537	17.8
73.61063	0.8
75.04465	1.9
81.03415	1.0
83.08611	1.8
85.02889	22.8
85.10172	7.2
87.04453	18.0
89.06011	46.6
95.04932	1.0
95.08570	1.3
97.02872	23.4
105.07009	1.2
111.11701	100.0
115.03911	15.8
127.03820	1.0
129.12729	88.2
133.04932	11.1
145.04968	2.2
182.31941	0.9
199.16905	16.4
209.54262	1.0
217.17964	32.6
236.98645	1.1
259.07983	1.1
309.23315	1.1
309.27560	1.0
357.14011	1.0
442.45374	0.9
465.73395	1.1
529.80353	1.2
551.90387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25551	1.0
52.60286	1.0
53.03919	1.3
55.01854	1.1
55.05496	6.2
56.69348	0.9
57.03420	5.8
57.07047	1.3
58.92448	1.0
59.04991	1.1
61.02898	4.5
64.46181	1.0
64.88139	0.9
65.03917	1.2
65.78831	1.1
67.05487	12.4
69.03411	17.9
69.07037	6.3
71.04964	19.2
73.02892	1.5
77.28938	1.1
79.05481	8.5
81.03413	8.4
81.07032	23.3
83.04959	1.7
83.08602	6.2
85.02885	56.9
85.06522	15.8
85.95442	1.0
87.04475	2.4
91.03944	1.8
91.05444	10.4
93.07013	17.8
95.04956	2.3
95.08583	35.0
97.02871	14.4
97.06499	2.5
99.04427	11.3
99.08049	1.9
101.02393	1.5
105.07018	25.0
107.08567	19.6
109.02845	4.6
109.06487	10.9
109.10136	9.4
111.08070	10.7
113.06024	1.9
115.03889	2.1
115.05482	1.1
117.06996	2.6
119.08555	13.3
121.10098	16.3
123.08040	45.1
123.11687	4.8
125.09596	1.5
127.03874	11.1
128.06226	1.2
129.06973	5.1
130.19246	1.1
131.08528	16.2
133.10089	14.8
135.08002	2.0
135.11646	2.9
137.09583	1.8
139.11139	1.2
141.06982	2.1
142.07721	4.2
143.08531	14.6
145.02798	1.6
145.04898	2.5
145.10114	23.1
147.04361	1.8
147.08070	1.9
147.11644	13.1
149.13205	1.4
151.11172	1.5
153.09090	1.7
155.08463	9.0
157.10085	23.9
159.11659	20.0
161.09531	4.8
161.12035	1.2
161.13243	7.7
163.11147	2.5
163.14706	1.3
165.12724	1.8
168.09315	1.8
169.10060	8.3
171.11630	7.9
173.09561	1.9
173.13287	8.4
175.11079	8.7
177.05388	1.4
181.10097	2.1
183.11674	9.9
183.13765	4.6
185.13228	7.9
187.11133	4.9
189.12769	2.7
191.14247	5.8
191.71455	1.2
193.10056	1.4
195.11668	10.0
196.12349	1.6
197.13228	10.3
199.14778	5.4
199.16737	2.8
201.12709	2.4
201.16333	6.1
207.11664	2.9
209.13252	6.6
209.15266	1.8
210.13853	1.3
211.14784	12.3
213.12767	1.6
213.16313	1.8
215.14220	2.8
221.13222	7.0
223.14873	1.6
225.16295	8.2
227.14386	1.6
227.16216	11.1
229.16060	1.5
235.14772	4.5
237.16289	7.0
239.14302	2.5
243.17313	4.3
251.17947	11.8
252.18613	5.7
253.15900	1.4
253.16988	1.2
253.19482	18.2
255.17297	2.4
269.19040	4.1
271.20477	5.6
277.19449	7.4
284.20770	1.3
287.20062	1.4
295.20459	100.0
311.19992	2.0
313.21524	65.8
331.22571	57.7
348.22165	2.7
366.23499	2.0
475.26822	2.7
493.27954	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	528.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03293	0.4
53.00297	1.1
54.65311	0.4
55.05505	11.9
56.76209	0.5
57.03429	14.2
57.07063	21.3
57.63161	0.5
59.04985	6.4
67.05502	0.6
68.02816	0.5
69.03414	37.3
69.07053	94.5
71.04976	8.3
71.08614	13.7
72.55828	0.5
73.02889	0.8
73.06534	21.3
75.04458	1.2
76.69468	0.5
81.03384	1.0
83.08595	3.0
85.02886	25.7
85.10170	7.4
87.04449	19.9
87.04975	0.9
89.06011	45.6
97.02866	20.6
99.04436	0.7
99.11683	0.6
102.65044	0.5
111.04407	0.6
111.11698	100.0
115.03908	15.8
115.90409	0.5
123.04358	0.7
127.03927	1.3
129.12730	80.4
129.69362	0.5
133.04950	11.1
145.04993	1.0
199.16899	16.4
217.17957	35.4
220.27423	0.6
239.26134	0.6
241.09340	0.6
317.66037	0.8
338.13654	0.6
375.15341	2.4
551.69769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18563	0.2
51.47569	0.2
53.03933	1.0
55.01852	0.5
55.05492	1.0
57.03429	1.7
61.02893	0.4
65.03922	3.4
67.05488	3.4
69.03413	4.5
69.07048	1.5
70.06560	0.5
71.04957	1.5
74.42946	0.2
75.04441	0.3
79.05468	2.2
81.03398	6.5
81.07043	3.1
82.04179	0.5
83.04960	0.6
83.08587	0.4
85.02414	0.4
85.02888	8.5
85.06520	1.4
87.04440	1.4
89.03921	0.2
91.05442	1.4
93.03366	1.0
93.07030	2.1
95.04939	2.7
95.08594	2.7
96.08965	0.3
97.02870	4.0
97.06499	4.8
98.06846	0.5
99.04406	1.7
99.08073	0.4
101.05966	0.3
103.05422	0.2
105.07020	1.9
106.07346	0.3
107.04920	0.3
107.08571	1.9
108.02072	0.3
109.02850	2.2
109.06506	3.7
109.10143	2.1
110.03639	2.1
110.06827	1.1
110.10523	0.3
111.04417	1.5
111.08052	1.1
113.05971	0.2
113.09653	0.3
115.03906	0.9
117.07019	0.4
119.04930	0.2
119.08554	1.4
121.06469	1.4
121.10098	1.2
123.04402	1.3
123.08028	0.9
123.11708	0.4
125.05972	1.8
125.09568	0.5
127.03880	1.3
127.11190	0.5
131.08530	1.5
133.04933	0.3
133.10086	0.5
135.08055	0.3
135.11688	0.3
137.05977	0.4
137.09613	1.0
138.03101	1.3
140.04675	7.2
141.12750	0.4
142.02563	1.8
143.08539	0.6
145.04942	0.4
145.10101	1.0
149.09601	0.3
151.03864	4.6
151.04970	0.5
153.05432	1.3
155.07024	2.6
155.08385	0.3
157.10129	0.5
159.11649	1.1
161.09511	0.3
161.13165	0.3
163.14801	1.0
166.55325	0.2
168.95625	0.3
169.04906	0.3
169.10062	0.4
171.06493	5.3
171.11653	0.4
173.13293	0.3
181.04919	100.0
181.15854	0.6
182.05247	0.5
183.11589	0.3
195.11670	0.4
195.35780	0.2
197.13184	0.3
197.15286	0.3
199.05981	4.7
199.16890	2.2
201.12791	0.4
213.12802	0.3
217.17958	0.6
235.14943	0.2
269.19128	0.3
270.19159	0.4
287.20029	0.4
295.20657	0.3
311.19949	1.3
312.20374	1.2
313.21161	0.4
325.09094	4.5
329.20920	1.1
330.21176	1.3
331.22122	0.2
343.10147	5.4
346.61206	0.2
347.22107	1.4
348.22473	2.7
349.22675	1.1
365.22818	0.4
366.23831	0.3
369.57272	0.3
528.28674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.87320	0.1
55.01859	0.7
55.05490	0.6
57.03434	1.2
57.07047	0.2
59.04975	0.2
61.02909	0.3
61.90656	0.1
63.27583	0.1
65.03921	3.3
67.05486	2.7
69.03416	3.9
69.07040	1.1
70.06559	0.4
71.04976	1.2
73.02889	0.2
79.05471	1.4
81.02927	0.3
81.03398	5.0
81.07031	1.5
82.04183	1.4
83.04948	0.3
83.08593	0.8
85.02887	7.0
85.06518	0.4
87.04440	1.0
91.05451	0.8
91.47017	0.2
93.03378	1.0
93.07023	1.4
95.04937	2.2
95.08569	1.7
97.02878	3.1
97.05939	0.3
97.06514	2.9
97.10155	0.3
98.06835	0.2
99.04432	1.2
99.08068	0.4
102.97017	0.2
104.93920	0.2
105.06998	1.0
107.04904	0.3
107.08569	1.1
109.02857	2.4
109.06493	1.8
109.10120	1.4
110.03659	2.3
111.04457	1.4
111.08040	0.8
115.03916	0.4
117.06975	0.2
119.08571	0.9
120.00235	0.2
121.06477	0.8
121.10094	0.8
123.04387	1.4
123.08042	0.7
123.11655	1.0
125.05966	1.8
125.09584	0.7
127.03851	0.8
127.11192	0.4
129.07018	0.2
131.08542	0.4
133.04938	0.3
133.10097	0.8
135.08058	0.3
137.05867	0.2
137.09613	0.4
138.03078	1.5
140.04659	7.0
141.12733	0.4
142.02573	1.7
145.04944	0.4
145.10147	0.7
149.05995	0.3
151.03871	2.3
151.07549	0.2
153.05406	1.6
155.06999	3.0
155.08362	0.4
155.10539	0.2
157.10149	0.2
159.11707	0.3
161.13264	0.2
163.14798	0.3
165.09027	0.2
166.06129	0.2
169.10030	0.3
171.06490	6.6
171.11594	0.2
173.08009	0.3
175.11113	0.3
177.09099	0.2
181.04919	100.0
181.15764	0.4
182.05270	0.8
183.11617	0.3
195.11694	0.3
197.15338	0.2
199.05975	4.4
199.13126	0.2
199.16957	1.5
201.12706	0.2
209.13127	0.2
217.17989	0.3
267.17511	0.2
269.18823	0.3
285.18402	0.3
287.19916	0.2
288.20325	0.2
311.19974	0.8
312.20297	0.8
325.09091	4.3
328.19913	0.2
329.20831	0.8
330.21432	0.3
343.10162	5.4
347.21976	1.0
348.22327	1.1
349.22665	0.3
358.02969	0.2
366.23215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.87320	0.1
55.01859	0.7
55.05490	0.6
57.03434	1.2
57.07047	0.2
59.04975	0.2
61.02909	0.3
61.90656	0.1
63.27583	0.1
65.03921	3.3
67.05486	2.7
69.03416	3.9
69.07040	1.1
70.06559	0.4
71.04976	1.2
73.02889	0.2
79.05471	1.4
81.02927	0.3
81.03398	5.0
81.07031	1.5
82.04183	1.4
83.04948	0.3
83.08593	0.8
85.02887	7.0
85.06518	0.4
87.04440	1.0
91.05451	0.8
91.47017	0.2
93.03378	1.0
93.07023	1.4
95.04937	2.2
95.08569	1.7
97.02878	3.1
97.05939	0.3
97.06514	2.9
97.10155	0.3
98.06835	0.2
99.04432	1.2
99.08068	0.4
102.97017	0.2
104.93920	0.2
105.06998	1.0
107.04904	0.3
107.08569	1.1
109.02857	2.4
109.06493	1.8
109.10120	1.4
110.03659	2.3
111.04457	1.4
111.08040	0.8
115.03916	0.4
117.06975	0.2
119.08571	0.9
120.00235	0.2
121.06477	0.8
121.10094	0.8
123.04387	1.4
123.08042	0.7
123.11655	1.0
125.05966	1.8
125.09584	0.7
127.03851	0.8
127.11192	0.4
129.07018	0.2
131.08542	0.4
133.04938	0.3
133.10097	0.8
135.08058	0.3
137.05867	0.2
137.09613	0.4
138.03078	1.5
140.04659	7.0
141.12733	0.4
142.02573	1.7
145.04944	0.4
145.10147	0.7
149.05995	0.3
151.03871	2.3
151.07549	0.2
153.05406	1.6
155.06999	3.0
155.08362	0.4
155.10539	0.2
157.10149	0.2
159.11707	0.3
161.13264	0.2
163.14798	0.3
165.09027	0.2
166.06129	0.2
169.10030	0.3
171.06490	6.6
171.11594	0.2
173.08009	0.3
175.11113	0.3
177.09099	0.2
181.04919	100.0
181.15764	0.4
182.05270	0.8
183.11617	0.3
195.11694	0.3
197.15338	0.2
199.05975	4.4
199.13126	0.2
199.16957	1.5
201.12706	0.2
209.13127	0.2
217.17989	0.3
267.17511	0.2
269.18823	0.3
285.18402	0.3
287.19916	0.2
288.20325	0.2
311.19974	0.8
312.20297	0.8
325.09091	4.3
328.19913	0.2
329.20831	0.8
330.21432	0.3
343.10162	5.4
347.21976	1.0
348.22327	1.1
349.22665	0.3
358.02969	0.2
366.23215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50763	0.2
55.05495	0.3
57.03409	0.3
58.76061	0.2
59.88456	0.2
65.15956	0.2
67.04672	0.3
67.05492	0.4
69.03410	1.2
69.07078	0.3
81.07040	1.9
85.02885	1.1
87.04456	0.5
88.64935	0.2
92.08994	2.2
93.07011	0.3
95.08596	1.1
96.15015	0.3
97.02876	0.4
105.07046	0.3
107.08568	0.3
109.10145	0.6
119.08588	0.4
120.98627	0.3
123.11634	0.3
133.04951	0.3
335.09406	0.5
343.99002	0.3
344.57242	0.3
395.20273	4.9
434.30475	0.3
527.24512	100.0
528.24670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93848	1.1
53.03934	5.4
54.82018	1.2
55.01865	6.4
55.05504	2.8
57.03432	11.7
61.02918	16.5
67.05487	13.2
67.98106	1.6
69.03413	50.6
69.07063	6.3
71.04982	3.0
71.48186	1.4
73.02908	7.9
79.05463	19.3
81.03408	18.1
81.07042	19.7
82.87543	1.4
83.08617	2.3
85.02890	100.0
85.06550	1.7
85.75002	1.6
87.04454	9.9
91.03921	2.5
91.05461	25.1
92.09157	7.1
93.07019	19.8
95.04938	2.9
95.08616	10.6
97.02867	35.7
97.06512	2.1
99.04441	8.4
105.07005	26.7
107.04951	2.9
107.08580	32.4
107.09281	1.6
109.02848	11.1
109.06493	2.1
109.10162	10.4
115.05433	2.6
117.06995	19.2
119.08550	15.0
121.06516	6.0
121.10110	6.7
123.07970	1.9
127.03882	17.7
128.06184	3.1
129.06956	18.8
131.04938	1.9
131.08537	26.6
133.10117	17.6
135.11656	3.1
137.06042	1.6
141.06947	15.2
142.07738	2.7
143.08525	31.2
145.04948	11.2
145.10104	29.7
147.11678	14.1
149.05882	2.9
149.09621	1.7
149.13264	2.1
155.08522	20.3
157.10112	23.2
159.11716	12.3
161.13118	2.2
163.03784	1.7
166.07962	1.7
167.08513	10.5
168.97623	1.5
169.10036	13.3
171.08040	1.9
171.11617	12.5
173.09578	3.5
173.13216	2.5
175.11147	2.5
177.05518	1.8
179.10637	1.9
181.10091	7.3
183.08032	1.6
183.11682	11.4
185.09563	5.7
185.13048	4.4
187.10901	1.4
187.14722	2.8
195.11720	6.6
196.05951	1.6
197.13280	5.5
199.14815	2.4
201.09071	2.5
203.10696	8.2
205.10123	5.5
205.12163	2.3
207.11763	2.2
209.13197	6.8
211.14897	2.2
215.10677	2.4
217.12206	5.8
223.14771	6.0
229.12207	2.4
237.16302	5.1
239.17780	2.5
249.16148	2.6
251.17981	16.6
253.19533	2.6
265.19406	16.8
275.17908	2.8
283.20557	7.5
293.18915	14.7
311.20001	55.0
329.21036	21.7
347.22180	3.6
416.75296	1.6
431.24359	16.6
445.25613	2.5
461.24796	2.4
473.25226	20.3
491.26459	28.1
509.27380	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	527.1578
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
54.81557	0.6
55.91334	0.5
58.41137	0.6
58.49503	0.6
64.37990	0.6
83.64191	0.6
85.64454	0.6
87.97551	0.6
108.87556	0.7
142.59961	0.6
159.09917	0.6
185.04231	5.2
186.36037	0.8
194.87193	0.7
203.05261	13.6
305.08395	1.1
319.09955	4.4
335.09479	0.9
347.09485	5.1
365.10458	100.0
527.15747	92.5
552.53503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05503	2.6
57.03424	1.3
57.07064	0.7
59.04982	0.3
61.02908	0.3
65.03944	0.4
67.05489	4.3
68.05821	0.3
69.03415	3.0
69.07055	5.9
70.07396	1.2
71.04971	0.6
71.08600	0.4
79.05485	3.5
80.05804	0.4
81.03405	0.6
81.07035	12.0
82.07369	2.5
83.04979	0.3
83.08614	2.4
84.08955	0.4
84.96544	0.3
85.02895	3.7
85.06531	1.4
86.03212	0.3
86.06908	0.3
87.04474	0.6
91.05453	2.2
93.07018	4.9
94.07343	0.5
95.04936	1.0
95.08581	9.7
96.08894	2.8
97.02876	1.5
97.06510	1.2
97.10136	1.2
99.08069	1.1
100.08421	0.3
105.07008	2.7
107.04933	1.4
107.08579	5.7
108.05334	0.3
108.08913	1.3
109.06506	0.4
109.10140	8.0
110.10469	1.7
111.08068	0.5
111.11704	0.6
113.09608	0.6
115.03928	0.4
116.98594	0.3
117.07027	0.6
119.08559	2.6
120.08896	1.1
121.06511	0.4
121.10115	3.4
122.10471	1.2
123.04389	0.4
123.08064	0.4
123.11698	4.3
123.25391	0.3
124.04997	0.3
124.12008	1.9
125.09601	0.3
131.08527	1.1
133.06482	0.3
133.10121	1.8
135.11682	1.9
136.12033	1.6
137.05920	0.4
137.13249	1.7
138.13557	0.5
139.11140	2.1
140.11530	1.2
143.08495	0.6
145.02820	0.6
145.10123	1.3
147.04411	0.5
147.11646	2.9
148.12128	0.4
149.13266	1.8
150.13605	0.7
151.14838	0.3
157.10207	0.4
159.11620	0.5
161.09560	0.4
161.13290	0.6
162.13560	0.4
163.03853	0.3
163.14824	0.5
167.07001	2.5
167.14415	0.3
168.07248	0.8
173.09592	0.5
175.11131	0.3
177.05420	1.1
177.12657	0.3
179.14336	0.4
180.14644	0.3
181.04950	2.7
182.05251	0.4
189.12883	0.3
197.15405	0.5
197.19006	0.4
198.15683	0.3
207.06509	0.5
215.16452	1.3
215.20088	0.3
218.19962	0.5
233.08035	0.6
241.19472	1.3
251.17696	0.5
269.19012	1.2
273.25766	0.4
274.26242	0.3
279.26837	0.4
280.27240	0.6
287.20038	3.1
291.26807	1.3
292.27081	2.1
293.27509	0.4
301.10788	1.1
309.27881	1.4
310.28152	3.5
311.28546	1.4
327.28989	0.4
328.29282	0.6
329.21198	1.0
329.29257	0.3
330.21194	0.3
335.09451	1.9
346.30249	0.3
347.22113	0.6
492.19510	0.6
509.29260	0.3
527.24524	100.0
528.24866	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	526.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	18.7
57.03422	17.2
57.07079	4.1
64.33379	2.5
67.05491	100.0
67.49248	2.5
69.07054	22.7
79.05473	12.0
81.07037	40.0
83.08608	16.4
85.31622	2.6
89.06007	47.8
91.05453	13.3
93.07030	13.7
95.08578	35.0
105.07003	4.0
107.08588	10.1
109.10150	79.8
119.08554	6.4
123.58841	2.9
133.08591	16.1
161.13223	3.7
173.11720	16.6
229.14383	41.1
263.23627	3.9
327.20218	26.2
337.27295	48.6
491.37344	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
57.06811	2.8
57.07070	68.2
58.07897	1.7
58.74435	1.7
60.08141	7.8
67.05490	1.9
69.07043	8.8
70.06586	3.8
71.08238	3.2
71.08608	58.3
73.06541	4.5
77.15224	1.9
81.07028	3.6
83.08594	2.8
85.10173	28.5
86.09680	18.9
86.84860	1.9
87.04449	4.0
87.10042	3.1
88.07607	2.6
89.06013	100.0
92.08646	4.9
95.08577	3.0
99.11695	3.8
104.10728	35.9
105.11052	12.2
125.00001	14.2
127.14793	2.2
133.08577	39.1
169.08545	14.1
177.11186	15.9
184.07297	26.6
185.07663	9.0
186.07713	4.4
191.51054	2.0
221.13770	2.6
233.51683	1.9
248.87236	2.0
256.26297	23.4
271.26135	3.5
315.28876	2.5
327.20074	21.0
475.32983	2.1
508.36252	2.6
509.40417	38.1
510.01321	2.1
526.40833	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	526.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14518	0.3
55.01861	0.4
55.05503	17.2
57.03428	5.9
57.07061	4.3
65.03908	0.4
67.05491	19.6
69.07053	26.0
71.04967	2.1
71.08613	0.9
73.06535	0.4
79.05474	6.4
81.07037	25.7
83.04960	1.8
83.08603	15.1
85.06503	1.8
91.05463	12.3
93.07022	8.9
95.04906	0.6
95.08584	25.2
95.09203	0.8
96.86680	0.3
97.06510	2.9
97.10147	11.7
99.04542	0.4
99.08060	1.6
105.07013	5.0
107.08580	6.8
109.06481	0.5
109.10137	11.1
111.08078	0.7
111.11718	3.2
119.04916	21.8
119.08566	5.5
121.10130	9.2
123.04388	0.4
123.08015	0.7
123.11688	3.7
125.09600	0.6
133.10104	5.5
135.11652	8.1
137.09615	1.4
137.13223	1.9
139.11134	0.7
147.04388	100.0
147.11650	4.5
149.13210	1.5
151.11131	1.4
151.14824	1.5
153.12714	0.7
161.13187	2.6
165.05447	4.4
165.12761	0.8
175.14778	2.3
179.14291	0.8
217.19521	4.8
221.08076	1.4
235.20514	4.9
253.21565	1.9
270.94916	0.4
291.23221	0.5
309.24191	4.2
327.25223	43.1
361.27979	0.4
473.28836	7.1
486.88745	0.4
491.29932	24.2
526.31354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69217	0.8
53.03944	1.3
53.04781	0.8
55.01866	2.0
55.05498	7.3
55.05740	1.1
56.72414	0.9
57.03423	7.2
57.07063	4.4
57.50313	0.8
59.48769	1.1
61.02909	4.1
67.05487	12.5
69.03413	20.8
69.07048	9.4
70.06586	1.0
70.17445	1.0
70.91331	1.1
71.04977	15.4
73.02903	1.6
79.05463	10.1
79.67940	0.9
81.03394	5.7
81.07040	22.0
83.04961	14.5
83.08612	4.5
85.02885	35.6
85.06522	11.3
87.04443	9.4
91.05470	7.0
93.07025	14.9
95.04958	6.7
95.08575	20.4
96.08932	1.8
97.02871	18.3
97.06508	45.6
97.10165	1.5
99.04440	7.4
99.08083	4.5
100.11255	1.3
101.06007	6.3
105.07035	11.1
107.04942	1.8
107.08569	18.3
108.08912	1.0
109.02861	5.1
109.06498	38.3
109.10126	23.5
109.10740	1.3
110.10495	4.1
111.04443	4.9
111.07385	1.0
111.08089	6.2
113.06011	1.4
113.09593	1.0
115.03914	4.5
116.98619	1.7
117.06989	1.4
119.08566	11.2
121.06510	5.9
121.10107	15.8
122.01726	1.3
122.10500	1.6
123.08076	9.2
123.11698	5.2
127.03915	5.4
127.07569	2.1
129.05461	3.9
131.08522	7.4
133.04980	4.0
133.06491	4.6
133.10104	10.2
135.08058	5.4
135.11627	8.3
137.05986	1.4
137.09598	7.6
137.13194	1.4
137.71410	1.1
139.11165	4.5
143.08563	5.9
145.02739	1.3
145.04922	1.9
145.10115	8.6
147.04384	1.6
147.08076	1.4
147.11667	2.4
147.30913	1.0
149.09607	1.7
149.13252	1.9
151.11212	1.8
155.08545	1.6
157.10072	7.3
159.11719	4.9
161.09622	1.9
161.13260	6.0
165.09109	2.0
169.10129	2.3
171.11671	2.1
173.09631	2.0
173.13255	6.2
175.11205	1.9
177.05513	1.3
177.12776	1.3
177.16397	7.8
178.16762	6.1
179.14352	5.3
181.04944	1.2
181.10124	1.2
182.94188	1.2
183.11682	2.0
185.09674	1.6
185.13301	2.5
187.11136	1.6
189.12852	1.8
195.17435	6.0
196.17767	2.0
197.11705	3.9
197.13393	3.3
197.15303	13.4
199.14767	1.5
203.14264	1.3
209.13269	1.9
213.12749	2.4
213.18498	14.7
214.18816	5.5
215.14380	2.3
215.16254	2.9
223.14882	1.5
227.14265	1.4
229.15915	1.7
241.15773	1.5
267.17554	1.5
269.19012	2.2
283.20557	1.1
293.19104	4.0
311.19882	17.5
327.19604	6.7
328.19785	4.4
329.21021	31.0
347.22089	100.0
351.25507	1.2
363.21695	2.4
364.22064	2.5
508.29596	1.7
525.23053	10.7
526.23346	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01863	1.7
55.05497	10.3
55.91288	0.8
55.95657	0.8
57.03422	10.5
57.07058	5.8
60.04520	1.0
61.02906	0.9
63.27437	0.8
67.05487	26.8
68.84236	0.9
69.03417	28.8
69.07050	16.5
70.44284	1.1
71.04969	6.2
75.04485	1.5
79.05468	8.6
81.03387	1.5
81.07036	69.4
82.07356	1.1
83.04982	1.2
83.08606	8.0
85.02883	25.9
85.06527	38.6
87.04456	14.5
91.05464	5.6
92.09196	5.4
93.07024	15.2
95.04952	1.7
95.08579	54.5
96.08916	1.6
97.02872	17.3
97.06501	4.2
97.10146	4.7
99.08057	4.6
100.56073	1.2
105.07017	18.2
107.08571	13.2
108.08913	1.6
109.02873	0.9
109.06503	2.4
109.10140	12.5
110.10452	1.0
111.08073	2.4
115.03903	13.8
117.07005	1.1
119.08566	13.0
121.10124	13.9
122.10477	1.7
123.08039	7.1
123.11703	4.9
131.08569	4.1
133.04948	8.2
133.10106	7.9
135.08005	1.4
135.11674	15.1
137.09608	1.4
137.13231	100.0
143.08539	5.2
145.10095	30.6
147.04425	1.5
147.11714	1.9
149.13255	1.7
151.14861	1.9
155.08527	1.2
155.14238	1.1
157.10117	6.7
159.08003	1.8
159.11642	4.5
161.09515	1.4
161.13225	20.8
163.11183	1.1
169.09985	3.6
171.11684	2.2
173.13165	1.4
175.11186	2.0
177.16379	4.1
178.16664	1.5
179.14291	18.6
181.10149	1.7
183.11659	4.2
187.11131	1.6
193.10152	1.0
195.11644	1.5
195.13519	1.2
197.15337	16.0
209.13240	4.7
211.14774	2.0
213.12744	1.7
215.16391	95.8
217.19550	1.4
223.14761	1.3
238.06328	1.0
249.16348	1.7
251.17955	3.9
265.19492	1.5
269.15335	1.5
283.20517	2.2
287.20087	2.1
291.26849	1.4
292.27267	1.1
293.18811	7.2
309.27716	1.3
310.28183	1.1
311.19992	12.7
329.21005	28.9
347.21930	7.8
486.25037	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	526.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48730	0.2
54.18556	0.1
55.01854	2.2
55.05502	1.1
57.00375	0.2
57.03430	1.8
59.04981	0.3
63.85590	0.2
67.05487	0.4
69.03413	4.9
71.04969	0.4
73.02895	0.2
74.09681	0.2
75.90844	0.2
79.05459	1.4
81.03383	0.3
81.07034	8.1
85.02888	3.8
87.04445	1.9
91.05455	0.4
93.07033	0.9
95.04934	0.3
95.08598	0.7
97.02866	2.6
97.06477	0.3
99.04443	0.9
105.07018	1.3
107.08591	1.2
109.06494	5.3
109.10123	1.6
111.04448	0.4
113.06002	0.2
115.03901	1.6
117.07017	0.2
119.08556	1.3
121.06506	1.2
121.10155	0.4
123.04417	0.2
123.08077	0.3
123.11694	0.3
125.05960	8.2
127.03900	3.1
133.04944	1.1
133.10088	3.2
135.08069	0.2
135.11687	0.2
136.91301	0.2
137.05952	100.0
137.09521	3.9
138.06279	0.3
143.08525	1.4
145.02882	0.3
149.09692	0.3
149.13130	0.2
151.07516	0.3
151.11166	0.8
153.09123	0.2
161.09581	6.4
167.07033	0.2
168.16707	0.2
175.14804	0.2
179.10628	39.7
197.11696	48.8
198.12106	0.3
215.12759	1.0
347.11249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03239	0.2
53.03943	0.2
55.01839	2.3
55.05492	1.2
56.90045	0.2
57.03416	1.7
67.05466	0.3
67.07018	0.3
69.03414	6.2
73.14223	0.3
75.04446	0.3
79.05482	0.6
81.03397	0.3
81.07035	8.2
85.02872	3.9
87.04435	3.8
91.05462	0.4
93.07010	1.5
95.04931	0.3
95.08581	0.3
97.02868	4.0
97.06493	0.5
99.04430	0.5
99.08072	0.3
105.07008	1.5
107.08588	1.0
108.88783	0.3
109.06503	6.0
109.10116	1.6
111.04391	0.3
113.05975	0.2
115.03897	3.2
119.08546	1.4
121.06480	1.2
121.10172	0.6
123.11621	0.3
125.05966	6.8
127.03909	3.4
127.85056	0.3
131.90871	0.3
133.04901	1.9
133.10083	3.2
137.05951	100.0
137.09529	4.0
139.07561	0.4
143.08539	0.5
145.04898	0.4
151.11133	1.0
159.07863	0.4
161.09573	6.2
161.97531	0.3
179.10629	38.8
197.11691	47.3
207.13823	0.3
215.12724	1.1
215.31693	0.3
300.18018	0.3
330.25003	0.3
525.12897	0.3
539.80884	0.3
550.88599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01846	2.2
55.05504	3.5
57.03431	2.4
59.04974	0.3
67.05480	0.7
69.03420	6.9
69.07049	0.7
71.04963	0.5
73.02879	0.3
77.34071	0.3
79.05466	1.9
81.03401	1.3
81.07039	8.8
83.04953	0.7
85.02898	5.2
85.06528	0.7
86.03188	0.3
86.99004	0.3
87.04442	4.3
87.50138	0.3
91.05463	2.0
93.07001	2.8
95.04961	1.2
95.08578	2.2
97.02880	4.3
97.06504	0.5
99.04426	1.9
103.32825	0.3
105.00095	0.4
105.07024	2.4
107.04935	1.3
107.08591	2.9
109.02874	0.5
109.06505	5.7
109.10143	1.7
111.04446	0.4
111.08024	0.4
115.03926	2.7
116.98769	0.3
119.08547	1.7
121.06490	1.1
121.10132	2.6
123.08014	1.7
123.11684	0.4
125.05972	21.6
125.09574	0.4
127.03889	9.0
131.08553	0.7
133.04915	1.9
133.10107	3.6
135.11626	1.2
136.39140	0.3
137.05957	100.0
137.09515	2.1
139.07503	1.4
139.11186	0.3
143.08559	0.7
145.02888	0.6
145.04970	0.6
145.06424	0.4
146.50803	0.3
149.09569	0.7
151.11157	1.4
153.09167	0.3
161.09601	4.4
161.13258	0.4
163.03857	0.3
166.08560	0.3
167.10664	0.7
177.05418	0.4
179.10637	32.3
179.14203	1.5
195.13745	0.5
197.11699	49.2
207.13808	1.6
215.12759	2.3
254.58350	0.3
259.99200	0.3
285.18402	0.4
309.18271	0.5
327.19522	0.4
345.20395	0.5
526.15936	1.6
527.16943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50964	2.2
51.88226	1.5
52.83707	1.9
53.03926	3.4
55.01858	10.6
55.05495	15.5
55.05730	1.7
57.03424	28.3
57.07043	4.7
59.04979	10.4
61.02900	8.8
67.05492	20.1
68.05847	2.1
69.03413	91.3
69.07046	41.4
70.03724	8.9
70.07368	2.2
71.04967	17.0
73.02888	8.6
79.05482	15.1
80.77736	1.9
81.03385	14.0
81.06593	2.5
81.07034	44.5
82.07356	3.8
82.62778	1.9
83.04951	4.8
83.08602	20.2
84.88094	2.1
85.02884	93.1
85.06506	13.6
86.03194	3.4
86.53984	2.2
87.04446	32.3
88.04787	2.3
89.70613	2.0
91.03942	2.5
91.05454	20.6
93.07015	48.3
94.07365	3.0
95.04925	9.4
95.08576	64.5
96.08902	11.5
97.02866	62.2
97.06492	13.4
97.10126	10.9
98.03186	3.0
98.97588	2.8
99.04443	8.4
99.08066	26.6
101.02325	2.0
105.07012	30.0
106.07317	3.7
107.04923	3.3
107.08572	62.2
108.08102	3.9
108.08896	13.0
109.02869	14.6
109.06471	11.0
109.10139	42.0
110.10454	3.1
111.08050	10.5
111.11643	2.2
113.09603	2.9
115.03896	27.1
117.06988	3.2
119.08558	51.7
120.08872	16.4
121.06467	7.7
121.09278	4.6
121.10109	94.1
122.09696	2.1
122.10421	16.5
123.08031	10.4
123.11675	3.3
125.05949	12.1
125.09587	15.8
127.03901	15.2
128.06238	2.1
129.06949	4.3
130.23900	1.9
131.08521	22.7
133.04945	23.7
133.06453	9.7
133.10095	40.5
134.10413	18.7
135.08028	11.4
135.10770	5.7
135.11646	25.0
136.07542	12.8
136.11992	3.0
137.09573	9.8
137.12245	2.4
137.13216	13.1
141.06963	3.1
142.07773	2.7
143.08537	14.5
145.02843	3.5
145.04939	4.0
145.10077	18.2
147.08017	8.9
147.11674	9.4
148.11989	4.2
149.09598	4.7
149.13223	9.4
151.07466	2.0
151.14818	2.2
155.08507	11.6
157.10071	11.2
159.08003	11.0
159.11646	4.9
161.05986	2.5
161.09550	4.8
165.06918	4.1
166.08754	2.7
167.08478	4.3
169.10101	8.9
171.07988	4.2
171.11652	11.0
173.09645	16.7
175.11215	2.9
175.14766	53.1
176.08313	4.0
176.15140	34.1
177.16389	100.0
178.16722	29.4
179.08502	4.7
180.09256	2.6
181.04947	2.3
181.10027	16.2
182.10806	2.8
183.11626	16.0
192.09248	9.2
193.10103	11.8
194.08012	3.3
194.10774	4.3
194.16127	2.3
195.11647	11.2
195.13762	15.8
195.17436	28.1
196.14087	4.3
196.17764	4.4
197.09555	3.2
197.13271	3.4
199.11140	9.6
199.14722	2.7
203.10585	2.3
207.11711	16.6
208.12285	7.1
209.09613	3.1
209.13167	12.0
210.10316	3.0
211.11171	4.2
212.11739	2.3
213.12746	4.3
213.14716	2.8
213.18437	60.8
214.18736	20.1
219.11583	3.0
221.13213	3.7
223.11169	3.8
223.14737	10.4
224.12024	2.4
225.12616	16.1
226.13199	2.4
227.14148	2.7
232.12566	2.1
233.13150	3.1
235.14745	8.4
237.12610	4.5
239.14203	2.8
241.12260	2.7
241.15681	4.0
247.14774	3.9
250.13486	2.6
251.14171	10.4
252.14937	3.3
253.15839	8.3
259.16757	3.5
265.15720	12.8
266.16376	8.8
267.17355	9.8
269.15341	8.9
280.17715	2.8
281.18866	14.6
283.16858	20.0
291.17242	8.3
309.18396	54.9
327.19437	86.8
345.20502	45.2
362.20209	3.5
363.21426	7.9
525.19104	13.7
525.26691	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	526.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61168	0.1
51.97881	0.1
53.03927	0.2
55.01856	0.4
57.03439	1.3
59.04949	0.2
60.04502	0.2
61.02911	2.4
69.03416	4.3
71.04970	0.4
73.02892	0.7
73.45066	0.2
78.04692	1.5
79.05479	0.4
81.03407	2.4
83.01286	0.2
85.02888	18.6
87.04426	0.7
91.03951	0.6
95.04943	0.3
96.05746	0.3
97.02871	5.8
98.49918	0.1
99.04421	0.8
106.04140	0.9
107.04932	0.3
109.02834	1.6
109.72560	0.2
115.03869	0.2
123.04411	4.9
124.05189	1.8
127.03873	2.7
134.03606	0.4
137.05954	0.3
140.04639	0.4
144.06555	0.7
145.02853	0.4
145.04912	2.7
151.03886	1.1
152.04694	2.1
155.06981	0.3
162.07652	0.2
163.06015	0.8
167.06998	100.0
168.07326	0.4
177.05408	0.7
307.28665	0.2
510.77820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48416	0.1
63.76460	0.1
66.79119	0.2
69.03403	0.7
69.68353	0.1
72.61057	0.2
79.05481	0.3
85.02874	0.7
91.05455	0.4
93.07014	1.2
103.05447	5.0
107.04933	2.1
109.24405	0.2
119.04923	0.3
120.08080	100.0
126.46711	0.2
131.04903	2.5
137.05933	1.0
147.04402	0.7
149.05965	1.5
166.08603	26.7
166.60815	0.2
167.07002	2.0
179.07005	0.2
198.64192	0.2
288.29492	0.2
520.46057	0.2
526.16016	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
54.81829	1.1
55.01860	1.9
55.05507	4.7
57.03423	4.0
61.02916	1.4
65.63425	0.9
67.05494	12.7
69.03407	14.6
69.07068	2.6
70.60906	0.9
71.04964	2.6
73.36842	0.9
79.05473	11.4
79.36403	0.9
81.03413	5.8
81.07034	13.4
83.04960	6.5
85.02891	21.1
85.06525	6.7
87.04447	1.5
91.05455	12.7
93.07022	17.2
95.04949	6.9
95.08594	13.4
96.05359	0.9
97.02876	6.2
97.06529	8.3
98.69043	1.1
99.04462	3.6
99.13419	1.1
100.98557	1.0
103.05444	2.0
105.07021	24.3
107.04929	2.3
107.08572	15.7
109.02858	4.3
109.06503	6.1
109.10135	5.5
111.08089	2.3
113.05925	1.1
115.03950	1.7
115.05482	1.5
117.06984	8.1
119.04899	1.6
119.08575	16.9
121.06475	10.9
121.10151	7.7
123.04405	1.4
123.08051	11.4
123.11637	1.3
125.09602	2.1
127.03880	6.0
128.06218	1.1
129.06996	5.5
131.08540	15.9
133.06474	2.0
133.10095	8.0
135.08025	13.7
137.05994	2.3
137.09607	5.4
141.06987	1.4
142.07747	2.3
143.08560	14.3
145.06499	4.1
145.10104	19.2
147.08040	9.7
147.11694	5.1
149.09607	4.5
151.07541	1.8
151.11266	1.3
153.07004	1.2
155.08540	13.9
157.10072	12.6
159.08044	11.8
159.11678	6.1
161.05962	1.4
161.09601	6.9
165.06966	1.2
165.09081	1.2
167.08556	3.7
169.10117	10.0
171.08014	7.1
171.11658	10.2
173.09590	29.5
173.13184	1.7
175.11191	7.6
179.08525	2.4
181.10100	9.3
183.08122	1.8
183.11681	7.8
185.09598	11.0
185.13156	3.8
187.11136	7.8
189.12791	4.4
192.09369	4.4
193.10078	10.0
194.10847	2.0
195.11644	7.3
197.09598	2.2
197.13252	4.7
199.11171	6.7
201.12808	1.9
205.10123	4.5
206.10799	1.2
207.11699	12.9
207.13562	1.5
208.12328	1.3
209.09621	1.9
209.13251	11.0
210.10408	1.2
211.11191	5.5
213.12836	1.8
213.14771	1.3
215.10704	1.6
219.11676	1.7
221.13269	8.2
223.11148	2.4
223.14804	8.4
225.12724	10.8
225.16397	1.7
227.14301	4.7
231.11612	2.3
232.12453	4.1
233.13269	4.8
234.13937	1.4
235.11247	1.3
235.14665	2.3
236.11848	2.3
237.12761	2.1
237.16214	4.1
239.14380	4.0
239.18059	1.7
241.15607	1.3
243.11746	1.6
244.12492	1.5
245.13220	1.2
247.14758	4.3
249.12608	1.8
249.16391	8.3
250.13524	4.1
251.14287	17.3
252.15135	1.2
258.13962	2.1
261.16290	1.3
263.14307	3.9
263.17850	4.8
265.15848	17.1
266.16611	1.9
267.17349	16.1
269.15381	4.5
273.16351	5.0
276.15063	2.4
279.17322	4.1
281.15933	1.1
281.18811	9.0
283.16956	2.4
285.18457	5.6
291.17279	15.4
297.18304	1.7
299.19803	1.8
305.79437	1.0
309.18372	42.1
310.15994	1.2
327.19449	40.1
344.19324	1.1
345.20517	45.7
363.21597	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	524.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16799	1.1
55.01881	1.1
55.05312	0.8
55.05510	13.5
56.54733	1.1
57.03425	14.4
57.07055	1.1
59.04976	5.2
61.02293	1.2
64.44791	1.1
65.03931	1.7
67.05495	100.0
69.07066	10.3
71.73816	1.1
79.05484	22.3
81.06591	2.0
81.07045	39.1
83.08586	8.5
85.06487	1.2
87.04429	1.8
91.05473	15.3
92.09267	2.3
93.07014	27.1
95.08593	24.2
97.06517	1.4
97.10152	1.7
105.07005	6.4
107.08585	12.2
109.10143	61.2
111.08051	2.2
111.41795	1.2
119.08569	9.5
121.10097	10.9
123.11691	1.6
125.37839	1.2
131.08554	5.4
133.10121	1.7
135.11665	5.1
137.09692	1.4
145.10097	5.0
147.11658	1.9
149.13239	2.1
173.11737	13.9
189.15692	1.4
223.98189	1.2
229.14325	42.0
243.21118	1.5
261.22079	6.1
279.26257	1.2
335.25735	44.7
354.86780	1.5
430.28015	1.3
442.06647	1.4
489.35721	29.7
527.05682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01459	1.3
56.96553	20.2
62.44484	1.0
67.15488	1.2
71.95233	1.3
72.60567	1.2
92.79469	1.4
98.83389	1.2
98.97550	85.5
99.97942	1.6
111.11753	1.3
116.98592	93.6
119.01889	11.0
120.02007	1.6
125.96592	1.2
132.64125	1.2
134.99629	65.5
137.02908	2.8
142.68172	1.1
145.53131	1.2
152.75769	1.2
153.00699	13.5
177.00887	24.3
178.01083	1.5
179.00581	1.3
192.98723	1.6
217.04086	2.3
219.01967	27.8
219.03847	2.3
220.02126	7.0
221.01807	5.3
234.99686	5.5
240.98645	5.3
243.02005	2.6
244.02065	1.5
250.97787	1.7
258.99716	46.1
259.99924	3.1
261.00232	2.8
261.02988	69.6
262.03070	18.8
263.02890	12.8
272.94357	5.2
274.97610	11.4
275.97818	5.8
276.97894	3.6
277.00745	100.0
278.00977	8.5
279.00620	5.3
282.99960	7.0
284.00098	2.2
284.99564	4.5
290.95337	2.5
292.98727	2.5
295.01740	1.7
298.97720	4.7
299.97769	2.6
301.00919	19.9
302.01208	5.0
303.00925	6.7
316.98782	16.7
317.98846	6.9
355.93719	2.5
382.99875	2.8
396.94464	6.6
397.94754	7.7
401.01025	18.0
410.90094	1.5
414.95584	4.8
416.94968	1.8
419.01852	5.6
439.95718	1.4
441.98615	1.7
458.99686	1.5
459.99976	7.0
511.42209	2.9
519.91437	5.9
525.00586	6.3
536.91827	1.8
537.92303	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	525.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01866	0.3
55.05515	2.8
57.03432	0.5
57.07064	0.8
67.05488	3.8
69.03403	1.9
69.07057	6.6
71.04979	0.7
76.56568	0.4
79.05470	1.9
81.07037	12.9
83.04956	1.5
83.08602	2.3
85.02892	2.4
85.06528	3.5
87.04437	0.5
91.05456	0.8
92.08679	0.5
92.09185	0.8
93.07027	5.1
95.04939	0.5
95.08580	9.9
97.02886	0.7
97.06493	0.7
97.10155	1.4
98.97554	0.3
99.08097	1.4
105.07003	2.5
107.08581	5.0
109.02778	0.4
109.06500	0.5
109.10139	7.0
111.08099	0.6
111.11721	0.7
115.03909	0.6
119.08552	1.4
121.10130	4.3
123.08003	0.6
123.11684	3.3
125.09613	0.4
127.11227	0.6
130.12256	0.8
133.10114	1.8
135.11688	2.3
137.13239	1.7
145.10146	0.5
147.11647	0.8
149.09639	0.5
149.13255	2.2
153.12755	0.6
157.10120	0.4
159.11674	0.4
163.14839	0.6
177.16339	0.8
195.17375	0.5
205.19507	0.5
223.09734	0.4
230.18211	0.4
255.59923	0.4
273.25662	0.7
291.26770	2.2
309.27841	2.3
317.08755	0.6
327.28992	0.6
335.09335	0.6
345.29788	0.5
393.18835	4.8
451.85059	0.3
465.18460	0.4
509.19482	0.6
525.22974	100.0
526.23456	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	524.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33184	2.6
55.05495	6.5
57.03424	3.0
57.07066	63.7
62.39140	2.8
67.05482	18.2
69.07070	8.3
71.08612	45.0
71.39219	2.6
72.98512	2.5
75.04444	3.2
81.07026	22.7
83.08593	12.4
85.10159	21.7
89.06009	3.4
89.11175	3.3
93.06977	2.8
95.01283	3.1
95.08579	37.6
97.10134	3.9
105.07055	4.1
109.10135	13.6
123.11673	2.9
141.01768	5.7
164.39708	3.6
216.37703	3.3
221.74815	3.3
239.23672	15.3
283.65710	3.2
302.00723	3.6
313.27283	100.0
331.28455	11.4
443.93784	3.4
483.34650	4.4
527.31897	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	524.3708
Annotation	1-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05493	0.7
55.25422	0.3
56.05037	0.5
57.03415	0.5
57.07068	5.8
58.06569	0.8
59.86574	0.3
60.08152	21.0
67.05484	1.9
69.07021	1.5
71.07362	7.6
71.08603	3.2
79.91883	0.4
81.03443	0.4
81.07029	1.8
82.94122	0.4
85.10166	1.9
86.09689	70.9
93.06999	0.4
95.08583	2.0
98.98446	4.1
104.10722	99.1
124.99977	43.2
143.01022	0.5
163.01636	1.5
184.07303	100.0
199.28471	0.5
258.11209	0.6
327.28864	2.2
341.30457	2.0
506.35843	7.4
524.37012	39.3
534.87506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01860	1.9
55.05303	0.8
55.05505	13.9
56.05839	1.6
57.03434	14.4
57.07066	9.4
59.04980	4.3
65.17493	0.9
65.60473	1.0
67.05494	21.1
68.05821	1.0
69.03413	50.4
69.07053	35.3
70.07386	2.1
71.04971	7.6
71.08604	1.3
73.02895	2.0
73.37222	0.8
74.31729	1.0
75.04459	2.0
79.05467	15.9
80.05763	0.9
81.03395	5.2
81.07037	69.4
82.07378	4.4
83.04966	6.1
83.08604	18.4
85.02892	37.7
85.03338	1.0
85.06524	29.8
87.04446	24.3
91.05472	10.5
93.07017	43.1
94.07356	2.1
95.04932	4.7
95.08582	75.9
96.08916	6.3
97.02866	31.6
97.06507	6.5
97.10150	7.1
97.42882	0.9
99.04440	2.0
99.08077	13.6
103.05405	1.0
105.07008	19.3
106.07340	2.3
107.08574	62.1
108.08900	2.5
109.02850	1.9
109.06492	4.5
109.09389	1.6
109.10139	43.4
110.10482	6.7
111.04408	1.1
111.08043	2.4
111.11696	2.3
113.09665	1.5
115.03912	27.7
117.03366	2.3
117.07014	1.1
119.04957	1.4
119.08554	15.7
120.08911	4.1
121.06495	1.3
121.10118	82.4
122.08003	1.1
122.10444	1.5
123.08016	1.6
123.11660	18.0
124.11998	4.8
125.09604	25.0
127.03876	6.2
127.11150	1.6
131.04912	1.1
131.08507	6.7
133.04965	19.4
133.10092	12.4
134.10442	1.6
135.07996	1.3
135.11685	25.1
137.09581	9.6
137.13219	17.9
139.11142	2.0
145.02834	13.2
145.04915	4.8
145.10075	7.3
147.08052	1.4
147.11646	7.5
148.11952	1.6
149.05984	1.3
149.13235	14.0
150.13553	1.2
151.07550	1.6
151.11186	1.8
153.12617	1.3
155.10698	1.2
155.14299	1.1
157.10051	1.5
159.08003	1.2
159.11707	7.1
160.11989	1.2
161.13193	2.4
163.14789	2.0
165.09067	4.2
165.12770	1.3
167.08609	1.2
173.09569	1.5
173.13278	1.2
175.14787	4.6
176.15163	1.7
177.05443	16.3
177.16347	100.0
178.16661	1.1
185.09599	1.3
187.14839	1.9
191.10617	1.1
193.52707	1.1
194.16057	1.1
195.13794	5.0
195.17413	37.3
211.16986	2.1
213.14862	4.1
213.18434	20.0
216.72969	1.0
250.13277	1.1
259.08197	1.4
265.15863	2.0
271.24197	1.7
272.24564	1.7
276.15100	1.1
277.09058	1.2
280.55478	1.1
289.25424	1.3
290.25470	1.8
295.10190	5.9
307.26389	2.2
308.26575	4.0
309.18250	4.7
325.27393	1.3
327.19440	5.8
343.28201	2.0
345.20526	16.4
362.20224	1.7
402.59692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56586	0.4
53.03925	0.5
55.05499	6.6
57.03432	3.8
57.03646	0.4
57.07061	0.4
65.03924	0.7
67.05491	31.5
69.07048	7.9
71.04971	1.0
72.17739	0.4
79.05477	13.6
81.07038	33.0
81.74972	0.4
83.04959	0.7
83.08600	7.6
85.06526	1.0
91.04884	0.8
91.05456	16.1
93.07024	18.3
95.04933	0.8
95.08583	31.4
97.06493	3.1
97.10136	2.7
99.08068	0.9
105.06999	7.8
107.08573	10.5
109.06464	0.5
109.10138	14.6
111.08057	2.6
113.09658	0.6
117.06977	2.2
119.04916	25.7
119.08556	4.9
121.10122	17.8
123.04432	0.5
123.08040	0.4
123.11673	4.8
125.09605	0.8
130.76357	0.4
131.08543	5.9
133.10112	10.5
135.08073	0.4
135.11676	9.9
137.09570	0.7
145.10098	3.6
147.04387	100.0
147.11670	3.1
149.13217	4.1
151.11157	2.5
159.11632	3.2
165.05437	5.5
173.13228	2.1
187.14748	0.6
189.16380	0.6
205.19505	0.6
215.17915	6.3
221.08075	2.0
233.18956	6.9
235.20490	2.0
251.20032	4.8
272.31732	0.5
289.21597	0.9
307.22583	3.4
325.23648	34.8
334.62500	0.5
397.97009	0.5
417.10242	0.6
426.32950	0.5
455.31384	0.7
471.27347	2.5
483.34763	5.5
489.28391	18.9
540.22504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17637	0.5
55.05502	6.9
57.03432	4.7
57.07055	0.8
59.12748	0.5
65.03903	0.6
67.05490	32.6
69.07052	9.7
79.05476	15.3
81.07035	35.6
81.80376	0.5
83.04958	2.1
83.08602	7.8
85.06512	0.8
88.69187	0.5
90.80040	0.5
91.05463	16.6
93.07022	19.9
95.04942	2.2
95.08585	30.4
97.06509	4.8
97.10165	2.6
99.08063	0.8
105.06985	7.0
107.08582	14.0
109.06489	0.7
109.09480	0.8
109.10149	12.8
111.08060	5.6
114.37843	0.5
115.88934	0.6
117.06979	2.3
119.04916	20.7
119.08546	4.9
121.10122	20.6
123.08059	0.7
123.11691	4.4
131.08527	6.2
133.10100	12.2
135.11673	10.6
137.09566	0.8
137.13190	0.8
145.02849	0.8
145.09081	0.6
145.10054	4.5
147.04390	100.0
147.11682	3.8
149.13243	4.7
151.11130	2.2
159.11658	3.5
161.13133	0.7
165.05438	11.1
165.12674	0.9
173.13243	2.7
187.14838	0.7
189.16298	0.7
215.17914	7.0
221.08087	2.7
233.18968	6.7
235.20490	2.0
251.20007	5.1
289.21515	1.2
307.22668	2.7
325.23676	31.6
396.64679	0.5
471.27219	2.2
483.34192	6.4
489.28378	19.9
524.30505	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	524.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58371	1.5
53.03938	2.6
54.73444	1.7
55.01847	2.5
55.05504	31.3
57.02234	1.9
57.03436	29.5
57.07057	11.0
59.04982	3.6
61.02901	3.6
61.21889	1.7
67.05186	2.5
67.05492	36.2
69.03414	100.0
69.06709	2.9
69.07055	54.7
70.03746	2.5
71.04954	10.9
73.02894	2.1
73.06524	4.6
75.04465	7.2
79.05474	22.5
79.05868	2.9
81.03405	15.7
81.07038	88.4
82.07356	7.9
83.04959	29.3
83.08597	24.3
84.08910	2.6
85.02892	78.3
85.06527	38.9
85.80568	2.0
87.04446	50.8
91.05464	26.8
92.08994	13.8
93.07022	58.2
94.07350	3.3
95.04943	25.0
95.08585	82.0
96.05280	1.9
96.08926	3.9
97.02868	67.5
97.06493	20.2
97.10136	3.4
99.04419	4.1
99.08083	8.3
101.22968	2.7
105.07018	40.2
106.07297	3.6
107.04950	3.7
107.08585	52.9
108.08921	4.2
109.02787	6.5
109.06506	29.1
109.09386	3.2
109.10138	94.7
110.10464	7.8
111.04413	3.7
111.08075	8.8
111.11693	3.9
113.05975	2.4
113.09617	7.5
115.03909	50.5
115.07533	19.8
117.07024	3.5
119.04890	2.4
119.08572	39.3
121.06466	12.2
121.10121	50.3
122.10470	3.8
123.08049	13.0
123.11661	14.2
124.11991	4.4
125.09628	10.1
127.03879	12.9
127.07502	7.8
127.11201	4.9
128.11526	3.0
128.68964	1.8
129.07037	2.6
131.08551	17.2
133.04936	29.8
133.06477	3.9
133.10107	25.7
135.08038	8.2
135.11647	27.3
136.11990	2.6
137.05908	2.9
137.09583	66.3
137.13231	8.6
139.11108	3.8
142.07780	3.4
143.08554	14.5
145.04955	3.3
145.06525	2.3
145.08537	2.0
145.10088	18.3
147.04338	2.8
147.08012	8.2
147.11671	20.8
149.09540	4.1
149.13243	16.0
151.11142	7.5
155.08572	3.5
155.10628	7.1
157.10120	18.3
159.08018	10.4
159.11624	18.7
161.09549	12.1
161.13223	9.0
163.09581	4.5
163.14743	3.4
165.09096	31.9
167.08473	2.3
167.14305	4.8
169.10161	3.8
169.12202	10.3
170.12642	2.4
171.11649	7.3
173.09612	10.5
173.13181	7.8
175.07608	2.0
175.11176	3.1
175.14790	3.6
176.15169	2.5
177.16356	36.6
181.10040	3.0
183.10155	2.8
183.11703	3.5
185.09525	8.9
185.13240	3.6
187.11182	3.7
187.14783	3.3
189.16376	4.4
193.15807	4.1
195.13792	2.7
195.17355	8.9
197.13208	8.5
199.14833	2.5
203.10637	3.4
205.00049	2.0
205.15877	3.3
209.13231	3.9
211.16919	20.0
212.17198	8.6
213.16364	2.7
219.17433	2.5
223.14902	2.5
225.12753	3.2
225.16313	4.2
227.14310	2.9
229.17908	24.4
230.18369	18.7
255.17395	2.5
261.18506	2.2
267.17429	9.4
281.18933	3.3
285.15634	2.2
285.18301	14.4
291.12436	2.2
299.19968	3.5
303.19556	3.5
307.26254	3.8
308.26581	4.4
309.13202	11.7
309.17947	16.5
325.27371	2.9
327.19449	67.5
345.05804	10.6
345.20535	29.1
430.76724	2.2
523.78394	2.3
525.18787	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	524.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79938	0.4
53.00296	0.6
55.01865	0.7
55.05498	10.8
57.03426	5.1
57.07068	3.8
59.04982	2.3
63.99433	0.5
66.94106	0.4
67.05488	9.3
68.05818	0.5
69.03410	18.1
69.07050	22.8
71.04977	4.3
71.08611	0.5
79.05469	10.9
81.03371	2.0
81.07032	37.9
82.07354	2.0
83.04959	2.0
83.08598	15.5
85.02888	12.7
85.06515	4.1
87.04440	13.4
91.05466	5.8
92.08887	0.9
93.07015	26.3
95.04969	2.0
95.08580	62.4
96.08893	2.5
97.02869	16.1
97.06490	1.8
97.10145	7.8
99.04429	0.8
99.08074	5.7
105.07011	8.0
106.07314	0.9
107.08570	54.2
108.08878	1.1
109.02869	0.9
109.06475	1.1
109.10145	19.0
110.10453	0.9
111.08036	2.0
113.09639	4.1
115.03900	18.5
117.06998	0.6
119.08548	5.6
120.08958	0.6
121.10115	77.5
122.10432	0.9
123.07983	0.7
123.11678	6.6
124.12048	0.7
125.09592	2.8
125.13219	0.5
126.50027	0.5
127.03918	2.2
131.08548	2.1
133.04930	19.4
133.10133	3.5
135.11656	16.0
136.11975	0.5
137.09576	2.3
137.13235	8.2
139.11153	2.6
145.04933	2.5
145.10089	2.4
147.04341	0.5
147.11696	0.8
149.13235	7.4
159.11630	1.0
161.13153	0.5
169.05002	0.9
175.14752	0.8
177.16341	100.0
178.75850	0.5
187.14861	0.6
195.13744	1.1
195.17395	6.9
213.14822	0.7
213.18578	0.6
219.10138	1.9
259.08005	3.6
262.93042	0.5
273.18390	0.5
277.09027	1.0
289.25177	0.7
290.25598	0.9
295.10135	9.0
307.26169	1.1
308.26624	1.0
309.20535	0.7
345.20499	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	524.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01854	2.2
55.05503	5.8
57.03426	1.3
57.07059	2.7
59.04985	0.8
60.82293	0.5
61.02902	2.6
67.05489	7.8
68.09698	0.5
69.03419	10.3
69.07047	9.3
70.07370	0.7
71.04963	2.5
73.02891	1.0
79.05475	7.4
81.03404	4.1
81.07035	26.0
82.07377	2.8
83.04965	3.5
83.08608	3.8
85.02889	24.7
85.06531	5.1
87.04451	2.6
91.05464	6.7
92.09309	1.2
93.07029	15.8
94.07373	1.2
95.04944	3.9
95.08578	20.5
96.08913	1.3
97.02867	9.5
97.06503	13.4
97.10131	0.8
99.08074	0.9
99.92257	0.5
101.99321	0.7
105.07005	16.6
107.04971	1.4
107.08572	13.6
107.87837	0.6
108.08894	0.8
109.02892	2.4
109.06510	14.8
109.10136	13.4
110.10468	0.9
111.04410	6.6
111.08077	2.8
111.11686	0.6
113.05978	2.5
115.03936	2.2
115.05375	0.7
117.07002	1.4
119.08554	12.0
121.06485	6.5
121.10139	9.7
122.10469	0.7
123.08060	9.1
123.11674	3.9
125.06011	1.0
125.09610	0.7
127.03900	3.2
128.06216	0.6
129.06984	3.2
131.08546	9.1
133.06451	6.6
133.10101	10.9
133.11023	0.7
134.10445	0.7
135.08029	4.8
135.11636	5.5
137.09595	3.8
137.13268	1.1
139.11180	1.2
142.07762	1.3
143.08536	12.3
145.04938	3.3
145.06474	1.4
145.10068	8.6
147.08017	5.3
147.11662	6.2
148.11990	0.9
149.09615	4.2
149.13237	3.3
155.08572	3.7
157.10095	14.7
159.08046	3.4
159.11693	6.9
161.09595	10.5
161.13222	3.0
163.11150	2.4
163.14775	1.2
167.06985	1.1
167.08531	1.4
168.09410	0.7
169.08809	0.7
169.10085	4.4
170.07130	0.6
171.08046	1.4
171.11615	2.9
173.09560	3.9
173.13271	1.3
175.11134	11.7
175.14792	1.3
177.12778	1.4
177.16335	2.8
181.10081	1.4
183.11653	3.8
185.09590	20.9
185.13145	2.4
187.11142	3.5
189.12753	0.9
189.16313	1.3
193.10106	0.9
195.11697	2.4
195.17549	1.0
197.13202	2.4
199.11206	3.0
199.14781	0.8
201.12711	3.3
203.10655	4.9
206.10916	0.7
207.11623	5.5
209.13194	4.8
211.11076	1.8
211.14775	1.2
213.12724	3.1
213.18582	0.7
219.13867	1.4
219.15788	0.6
221.13295	1.4
223.11237	0.9
223.14803	3.3
225.12717	2.5
225.16307	2.9
227.14296	4.4
231.13545	0.7
235.14894	0.9
239.14325	1.1
239.17920	5.1
241.15579	0.8
247.14728	1.0
249.16219	5.9
251.14282	3.4
253.19629	0.8
257.18942	1.1
263.18039	4.3
266.16525	1.4
267.17377	12.8
269.15256	6.4
272.24698	0.7
281.18918	5.9
285.18430	12.7
289.25171	1.2
290.25446	0.7
291.17462	8.1
299.16632	1.1
299.20007	27.0
307.26157	2.9
308.26529	2.5
309.18433	29.4
327.19473	100.0
328.20016	0.9
345.20526	68.1
454.53888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28110	0.5
52.40079	0.4
53.03925	0.6
53.79003	0.5
55.01865	1.1
55.05499	6.4
57.03433	3.7
57.07063	1.2
58.56861	0.5
59.04961	0.6
59.92514	0.4
61.02895	0.9
62.88033	0.4
64.33404	0.5
67.05490	7.1
68.93166	0.5
69.03413	13.2
69.07054	10.8
70.07384	0.8
71.04971	3.1
73.02885	0.7
79.05466	6.0
81.03394	3.1
81.07036	20.9
82.07366	1.2
83.04955	6.5
83.08601	3.0
85.02883	15.2
85.06528	3.5
87.04424	4.0
91.05462	5.1
93.07011	13.9
94.07398	0.7
95.04930	2.6
95.06251	0.5
95.08581	22.5
96.08904	2.2
97.02874	8.2
97.06505	12.6
97.10164	0.9
99.04414	2.6
99.08060	2.9
105.07011	9.2
106.06589	0.5
107.04922	0.5
107.08574	13.8
108.08881	0.7
109.02853	1.0
109.06495	4.0
109.10134	10.3
110.10469	2.4
111.04425	2.4
111.08089	1.0
113.05990	1.2
113.09621	0.6
115.03909	5.5
117.07064	0.8
119.08556	9.6
120.08873	0.9
121.06470	2.4
121.10123	13.5
122.10427	0.6
123.04440	0.5
123.08063	4.1
123.11681	5.0
124.11995	0.7
125.05965	0.6
125.09590	0.6
127.03870	2.3
129.06966	0.8
131.08525	6.2
133.04939	3.2
133.10103	6.1
135.08040	1.9
135.11661	4.9
137.09616	2.6
137.13232	2.2
143.08542	3.6
145.04974	2.6
145.10117	5.1
147.08020	1.8
147.11679	4.9
148.12027	0.7
149.09563	2.7
149.13219	2.7
149.89853	0.6
155.08546	2.3
157.10095	5.5
159.07986	0.7
159.11685	3.8
161.09567	2.3
161.13197	1.0
163.11209	1.2
167.08563	0.7
169.10104	3.5
171.08107	0.7
171.11682	2.6
173.09595	3.2
173.13220	1.1
175.11099	1.1
175.14799	3.1
176.15146	2.6
177.16350	9.6
181.04901	0.9
181.10110	2.0
183.11629	3.7
185.09511	1.1
185.13211	1.9
187.11188	2.2
187.14749	0.8
193.10088	0.9
195.11754	2.0
195.17418	6.5
197.09502	0.6
197.13228	2.1
199.11153	2.2
199.13072	0.5
199.14806	3.0
201.12695	1.1
201.16382	1.0
203.10576	0.6
207.11717	1.0
208.12483	0.7
209.13232	2.8
211.11218	1.9
211.14771	2.0
213.12735	3.9
213.14600	0.6
213.18442	1.9
215.14278	0.8
221.13239	1.0
223.14796	3.3
225.12711	1.8
227.14297	3.3
228.15146	0.8
229.15814	8.0
235.14821	0.8
237.12704	0.7
241.15860	4.8
242.16455	0.6
243.17426	3.1
247.14751	0.7
249.16235	0.6
251.14281	1.2
253.15738	0.7
253.19482	0.5
263.14331	0.7
263.17831	0.8
265.15765	0.7
267.17319	1.0
269.15234	2.0
271.24301	0.9
272.24448	0.5
281.15836	0.5
281.18896	4.2
283.16968	0.5
289.25082	0.7
291.17230	5.1
299.20029	2.0
304.81287	0.5
307.26358	1.0
308.26324	0.9
309.18369	10.3
312.17017	0.8
327.19479	100.0
328.19962	1.0
345.20383	6.0
489.24680	1.1
507.25967	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	524.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86901	0.3
53.03918	0.4
55.01859	1.8
55.05491	2.1
57.03427	2.2
57.56428	0.3
61.02910	2.5
67.05487	2.6
69.03414	9.2
69.07053	1.9
71.04974	1.6
73.02919	1.8
79.05480	4.4
79.19515	0.4
81.03413	3.0
81.07035	8.4
81.35921	0.4
82.82316	0.4
83.04964	8.7
85.02888	17.1
87.04455	2.7
91.03915	1.6
91.05466	3.5
93.07011	5.8
95.04954	2.0
95.08578	5.3
96.28894	0.4
97.02869	6.4
97.06509	57.8
99.04447	3.0
105.07007	7.7
107.04932	0.9
107.08588	5.9
109.02876	2.4
109.06499	12.4
109.10127	1.7
111.04421	4.3
113.05991	2.2
114.97112	0.5
116.64962	0.4
117.07001	2.1
119.08558	7.5
119.68037	0.4
121.06461	4.5
121.10130	2.4
123.08044	15.4
123.08908	0.7
125.06002	2.0
127.03887	4.3
129.06999	2.2
131.08539	7.8
133.06454	0.7
133.10107	5.2
135.08061	2.2
135.11650	0.9
137.09605	1.0
141.06964	0.8
142.07765	0.8
143.08540	6.6
145.04968	1.0
145.10100	10.6
147.08054	2.6
147.11697	3.6
149.09575	2.5
149.13271	0.7
155.08531	3.5
157.10101	11.0
159.08038	2.5
159.11661	7.5
161.09619	2.3
161.13261	0.7
163.11157	0.8
163.14891	0.5
167.08546	1.6
169.10104	5.4
171.08038	0.9
171.11635	5.1
173.09615	4.7
173.13196	3.7
175.11180	2.5
175.14816	2.6
177.12727	0.8
181.10083	3.1
183.11656	4.7
184.12474	0.6
185.09641	2.3
185.13217	8.2
187.11217	2.8
187.14836	0.5
189.12721	0.7
193.10165	1.9
195.11700	3.3
197.09619	0.8
197.13251	4.0
199.11125	3.9
199.14813	3.4
201.09106	0.5
201.12766	2.7
201.16434	0.8
203.10739	0.5
203.14316	2.6
205.12242	2.0
207.11693	2.3
209.13239	2.9
211.11169	0.8
211.14719	3.1
212.11972	0.5
213.12761	4.7
213.16380	0.7
214.13428	0.5
215.14317	1.0
217.11978	0.7
221.13252	2.8
223.14764	4.8
225.12746	2.7
225.16295	0.5
226.13487	0.6
227.14305	5.1
228.15082	1.1
229.15811	9.6
231.11703	0.8
231.13753	6.7
233.13229	0.5
235.11330	0.5
235.14713	3.1
237.16414	1.6
239.14398	2.3
241.15851	7.9
242.16646	1.6
243.17508	3.2
245.15269	1.7
249.12579	0.7
249.16347	2.0
251.14351	2.5
253.15912	1.6
253.19514	2.9
255.17390	0.8
263.14453	0.6
263.17905	3.2
264.79285	0.5
267.17441	2.3
269.15369	2.8
269.18854	0.7
273.16312	0.9
281.15775	0.8
281.18936	7.1
283.16849	0.7
291.17380	7.4
299.19958	3.4
309.18414	16.2
312.17316	0.8
327.19492	75.9
345.20621	7.5
442.13651	0.5
489.24780	0.5
507.25809	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	524.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30098	0.5
55.01859	0.8
57.03428	0.8
61.02903	1.1
65.94340	0.5
66.18297	0.5
67.05482	2.7
68.61304	0.5
69.03411	4.6
69.07047	1.3
77.59952	0.5
79.05471	2.3
81.03399	1.3
81.07044	4.8
83.04948	2.8
85.02889	12.5
85.06533	1.5
90.87492	0.7
91.05448	2.1
92.09109	0.8
93.07019	4.3
95.08572	5.1
97.02888	4.1
97.06499	10.0
105.07022	6.1
107.08553	4.2
109.02851	2.4
109.06489	5.4
109.10136	2.7
117.06958	0.9
119.08588	4.2
121.06500	5.8
121.10143	2.4
123.08047	4.7
127.03887	2.2
131.08557	3.9
133.06410	0.7
133.10155	2.1
133.33028	0.8
134.49174	0.5
135.08052	1.0
135.11642	0.6
137.09633	1.1
143.08522	2.3
145.10085	5.3
147.08057	2.4
147.11685	2.5
149.09618	2.3
151.07558	2.4
155.08556	2.8
157.10103	4.1
159.08096	0.7
159.11697	3.2
161.09604	1.4
163.11206	1.1
165.09059	0.8
169.10078	2.4
171.08096	0.7
171.11693	3.4
173.09552	4.6
175.11092	4.9
177.12752	2.8
181.10130	1.4
183.11647	0.8
185.09631	1.1
185.13248	3.0
187.11154	1.3
189.12653	0.7
195.11702	2.9
197.13361	0.9
199.11086	1.1
199.14816	0.9
201.12724	0.7
207.11894	0.7
209.13324	2.3
211.14804	2.5
213.12657	1.2
223.14793	4.5
225.12634	2.5
229.15862	1.1
239.14236	1.2
241.15872	2.5
249.16461	1.0
251.14328	2.4
253.19569	1.1
263.17859	4.0
265.15863	3.3
267.17325	0.9
269.18930	1.1
271.20694	0.9
281.18930	15.9
291.17340	2.6
299.19958	18.1
309.18430	9.0
327.19421	7.3
345.20523	100.0
451.93359	0.6
535.69543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01867	3.3
55.05497	5.1
57.03428	4.7
57.07057	1.5
57.94915	0.3
58.48219	0.3
59.04977	0.7
66.51669	0.3
67.01873	0.3
67.05480	2.7
69.03065	0.4
69.03413	8.6
69.07049	2.3
70.06573	0.6
70.18930	0.3
71.04977	0.6
72.04494	0.7
75.04440	0.3
78.83149	0.3
79.05035	0.3
79.05453	2.6
81.03393	2.7
81.07034	5.7
82.06592	0.3
83.04964	1.7
83.08604	4.2
84.04486	3.5
84.09344	0.3
85.02892	8.0
85.06535	1.5
87.04442	4.3
89.03902	0.7
91.05455	1.5
92.09090	1.4
93.07021	4.1
95.04945	1.3
95.08576	7.4
97.02864	7.8
97.06511	1.8
99.04445	0.4
99.08064	0.6
100.07578	1.5
100.11237	7.0
105.07008	2.2
107.04946	0.4
107.08577	9.3
109.02843	1.1
109.06496	4.7
109.10133	15.1
109.10847	0.7
111.04421	3.1
111.08050	1.4
112.07570	0.5
115.03891	3.6
117.03343	5.6
117.07001	0.5
119.04906	0.6
119.08598	2.6
120.08039	0.4
120.08856	0.4
120.93208	0.3
121.10117	13.2
123.08049	4.0
123.11679	7.1
125.05961	89.9
125.09588	3.9
126.09143	0.4
127.03892	0.7
127.07516	4.9
128.07004	1.8
129.06978	0.4
129.09071	0.3
131.08516	1.5
133.04973	2.3
133.10083	0.8
134.96649	0.3
135.04399	0.5
135.08020	4.2
135.11670	3.4
136.08813	0.7
137.05946	0.6
137.09589	3.6
139.07515	1.6
140.07057	0.3
141.09103	0.3
145.02823	23.0
145.10126	0.6
147.04401	2.9
147.11620	0.6
149.05972	2.7
149.09586	6.0
149.13234	14.9
151.03888	1.8
151.14813	5.2
153.03976	0.3
153.09068	3.8
154.12231	3.8
157.10124	0.5
159.11665	3.7
161.09491	0.3
165.09065	1.3
167.10680	0.5
167.14267	17.2
169.04903	0.3
171.14828	0.6
177.05426	34.2
177.12698	9.3
177.16301	2.5
181.04889	0.4
181.08540	0.4
182.15343	5.6
184.09550	0.3
188.03760	2.1
193.04970	1.4
195.13762	100.0
196.14116	0.6
209.16415	0.7
210.14830	4.8
211.16823	1.3
212.17348	0.3
213.14809	48.3
227.17557	0.5
281.18518	0.7
291.17297	0.4
309.18253	0.7
314.06598	0.5
321.09525	1.6
327.19513	1.6
339.10626	2.0
345.09686	0.4
345.20441	1.4
354.23721	0.4
365.25626	0.3
380.29123	0.3
506.36618	0.6
507.34909	1.9
524.22668	1.6
524.37976	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	523.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.0
53.03936	0.5
55.01870	1.1
55.05506	5.2
57.03426	11.2
57.07058	0.5
59.04988	2.4
66.57206	0.6
67.05476	6.7
69.03414	26.9
69.07044	4.5
71.04974	7.1
73.02905	0.9
75.04478	2.1
79.05483	6.1
81.03394	2.2
81.07037	24.4
83.04966	2.9
83.08608	3.7
85.02889	23.0
85.06522	4.2
86.09656	0.5
87.04449	19.8
90.87433	0.5
91.05465	3.8
92.09290	0.7
93.07019	22.1
95.04915	1.9
95.08578	21.5
97.02865	20.6
97.06509	1.1
99.04463	2.7
99.08057	4.5
105.07007	7.3
107.08576	36.4
109.02898	0.6
109.06512	1.3
109.10143	16.2
111.08060	3.2
114.60373	0.6
115.03907	17.6
119.08553	16.1
121.10105	11.5
123.04380	0.6
123.08032	2.0
123.11682	15.2
123.12540	0.8
125.09624	3.2
127.03909	1.0
131.08540	1.2
133.04944	13.0
133.10107	13.1
135.08061	0.6
135.11670	40.6
137.05963	0.8
137.09599	3.8
137.13245	0.9
139.11142	5.4
140.11491	2.5
145.04956	1.0
147.11656	4.9
149.13211	7.4
151.11174	10.0
152.04259	0.6
153.12741	2.3
161.13274	1.0
163.14781	63.9
164.11438	0.6
164.15160	0.6
165.12733	0.7
165.16386	0.8
167.14305	3.6
173.13237	2.3
175.14783	18.1
181.04993	1.1
181.15878	6.3
191.14285	0.7
193.15843	7.6
209.15326	1.2
211.16898	100.0
227.16383	1.2
228.16560	0.6
373.22256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
53.46600	0.1
54.81952	0.1
55.01862	0.2
55.05508	0.1
57.03418	0.6
58.99331	0.1
58.99576	1.7
59.05000	0.1
67.05480	0.5
69.03065	0.2
69.03413	3.4
71.04974	0.2
77.03920	0.1
79.05471	1.4
81.03384	0.3
81.07034	0.5
82.21252	0.1
83.04949	0.5
85.02886	1.5
85.06530	0.3
86.98537	0.2
86.99033	3.2
87.04452	0.8
91.05462	1.1
93.07027	1.0
95.04922	0.6
95.08581	1.2
97.02863	0.8
97.06507	3.8
99.04447	0.2
99.08089	0.1
103.05453	1.0
104.06248	0.4
105.00072	6.4
105.07008	2.2
106.07362	0.1
107.04942	0.4
107.08598	0.8
108.08922	0.1
109.02861	0.1
109.06485	0.7
109.10161	1.0
115.03893	0.4
116.06221	0.2
117.06916	0.1
118.04153	0.1
119.04910	0.4
119.08533	0.7
120.05726	0.7
121.02826	0.2
121.06480	2.2
121.10127	0.9
122.07255	0.4
123.04401	0.4
123.08073	1.0
123.11667	0.1
125.09573	0.2
127.07537	0.1
131.04895	0.6
132.05687	0.4
133.02824	1.5
133.04945	0.2
133.06479	1.8
133.10078	0.3
134.07231	0.7
134.96957	0.1
135.04422	1.1
135.08018	1.4
137.05936	1.3
137.09586	2.8
139.07518	0.9
139.11206	0.2
145.02818	0.1
145.10117	0.2
147.04399	0.6
147.08049	0.4
147.11739	0.1
148.05136	1.3
149.02655	0.5
149.05956	4.0
149.09579	0.4
150.06700	3.8
151.07529	1.6
151.11127	0.1
152.08286	0.6
153.08978	0.1
158.04596	0.1
159.08066	0.1
159.11682	0.2
160.60561	0.1
161.05969	0.5
162.06735	1.6
163.04033	0.5
163.07506	2.1
163.11165	0.6
164.08305	9.8
165.05443	11.2
165.09079	2.8
175.14792	0.1
177.05479	0.1
177.12793	0.3
179.01335	0.1
179.07025	0.2
180.07780	19.1
181.08157	0.1
188.25230	0.1
195.10135	100.0
196.10466	0.5
205.12144	0.9
211.16927	0.5
213.11211	0.2
213.14868	0.1
223.13266	2.9
227.16570	0.1
232.45424	0.1
240.84851	0.1
288.34442	0.1
327.12415	0.5
333.93942	0.1
340.20853	0.1
345.13574	4.4
448.04752	0.1
485.47092	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	523.2746
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
53.03917	0.9
54.02665	0.6
54.81711	0.8
55.01854	1.0
55.05501	24.2
57.03168	1.0
57.03423	16.4
57.07056	9.0
59.04997	8.0
59.40709	0.6
61.02900	1.2
63.63684	0.7
64.33308	0.8
67.05488	18.8
69.03410	45.8
69.06703	1.2
69.07050	19.8
69.74774	0.7
71.04961	7.4
75.04440	1.6
79.05466	13.9
80.35536	0.7
81.03382	1.9
81.07036	35.0
82.07356	1.2
83.04955	34.1
83.08598	21.7
85.02882	34.6
85.06511	14.8
87.03939	0.9
87.04440	22.5
91.05447	13.0
92.05780	0.8
93.07019	32.0
94.07341	3.5
95.04929	7.6
95.08576	38.2
96.08909	3.5
97.02856	25.1
97.06490	4.0
97.10139	6.7
99.04446	1.4
99.08067	13.5
101.05975	4.4
105.07008	49.9
106.07339	12.2
107.07860	1.6
107.08569	48.4
107.09291	1.6
108.08894	6.8
109.02813	1.1
109.06499	1.8
109.10133	56.7
111.04411	1.0
111.08047	4.5
113.05985	0.9
113.09612	1.6
115.03902	19.0
115.07539	1.2
116.04269	0.8
117.03341	0.8
117.06964	1.3
119.08550	59.4
120.08881	13.7
121.10113	14.6
122.10479	1.3
123.08025	3.5
123.11678	24.3
124.12055	0.9
125.09597	14.5
127.03861	1.2
127.07494	1.0
127.11154	20.0
131.08531	3.5
133.04941	13.0
133.10092	55.5
134.10420	17.6
135.11659	44.2
136.11989	10.7
137.09628	7.2
137.13235	1.2
139.11047	1.2
145.02832	3.0
145.04916	3.4
145.10080	4.0
147.11678	7.8
148.11987	1.1
148.76936	0.8
149.13225	10.4
150.69444	0.8
151.11154	8.3
151.14745	1.3
153.12712	1.2
157.10135	0.8
159.11708	0.9
161.09674	0.9
161.13264	1.1
165.16322	1.0
167.14273	24.1
169.12187	29.4
169.13635	1.1
173.09581	3.3
173.13229	1.1
174.09850	0.9
175.14778	52.8
176.15118	21.4
177.05424	3.6
177.16336	1.0
185.15352	9.5
192.97688	0.8
193.15851	17.1
194.16135	1.5
209.15341	0.8
211.16887	67.8
229.17931	100.0
279.17450	0.9
280.17703	1.3
289.25052	3.4
305.24332	0.8
307.26175	3.6
325.27161	1.0
343.18774	1.2
344.19232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47787	0.5
51.75777	0.5
53.03930	0.6
55.01844	1.0
55.05505	4.9
57.03426	5.7
57.07047	2.7
59.04979	0.5
61.02934	0.7
67.05506	5.8
69.03065	1.0
69.03413	20.3
69.07059	8.2
69.38937	0.5
71.04957	1.4
73.02909	0.9
75.04451	0.8
79.05483	4.4
81.03389	1.4
81.07034	22.2
83.04977	0.9
83.08604	1.4
85.02883	17.8
85.06545	5.8
87.04452	11.0
88.47996	0.5
91.05462	9.3
93.07020	18.1
95.04939	1.2
95.08582	22.2
95.09187	0.8
97.02867	16.4
97.06535	1.0
98.22433	0.6
99.08068	39.1
105.07009	24.8
107.08572	19.5
109.02808	0.8
109.06491	1.2
109.10150	9.7
112.47243	0.6
113.09611	3.3
115.03912	12.1
117.06973	2.5
119.04952	0.6
119.08554	61.3
121.10120	5.4
123.08067	1.2
123.11694	3.8
127.03898	0.9
131.08546	3.3
133.04950	12.5
133.10100	100.0
135.11653	20.6
137.09554	3.3
145.04967	2.1
145.10106	2.4
147.11658	8.3
149.13202	1.0
150.53171	0.6
157.10089	0.7
159.11624	0.6
160.12576	0.8
161.09459	0.7
173.13141	2.8
175.14783	93.5
181.08545	0.6
193.11952	0.6
193.15842	22.9
211.16878	5.6
253.62170	0.7
259.08121	2.8
295.10266	4.4
307.19061	1.2
361.19901	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	523.2749
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
53.03923	1.5
55.05502	19.8
57.03417	15.0
57.07056	1.5
59.04955	2.0
59.34671	1.5
61.02912	3.5
63.32027	1.5
64.33269	1.5
66.54700	1.4
66.55059	1.5
67.05486	16.5
69.03416	37.8
69.07050	20.2
71.04974	15.9
73.02898	2.4
79.05470	14.4
81.03394	3.6
81.07037	32.1
83.04948	11.3
83.08593	15.5
85.02883	36.9
85.06510	9.6
87.04446	17.4
89.03880	3.2
89.62668	1.8
91.05447	16.4
92.08747	2.5
93.07021	40.1
95.04944	43.0
95.08581	53.9
97.02856	34.7
97.06483	8.6
99.04429	11.2
99.08070	91.7
101.05964	2.1
105.07018	29.6
107.04896	2.5
107.08579	48.6
109.02849	3.6
109.06532	5.9
109.10133	72.8
111.08073	6.5
112.72224	2.0
113.09626	2.3
115.03910	20.0
117.03355	17.2
117.09084	2.2
118.03699	3.7
119.04937	2.1
119.08556	79.4
121.06456	1.8
121.10099	17.8
123.08030	3.9
123.11681	8.6
125.06031	1.7
127.03872	3.2
127.11190	7.7
131.08522	7.5
133.04955	16.2
133.10100	95.6
135.04338	3.0
135.08032	2.6
135.11668	62.3
137.05984	2.4
137.09599	46.9
143.08505	3.2
145.02831	54.1
145.04865	2.8
145.10103	2.8
146.03157	26.7
147.04385	2.0
147.11653	10.5
149.05972	8.5
149.13257	4.4
150.06297	1.9
151.11166	2.5
153.12677	15.3
154.24550	1.8
155.10652	23.9
159.11572	2.3
163.03914	3.7
163.14763	7.3
169.04977	1.9
173.13194	3.7
175.11244	2.8
175.14780	100.0
177.05441	66.6
178.05754	47.9
181.15814	2.0
193.15852	55.7
211.14867	2.9
211.16885	70.6
217.15910	2.7
229.17949	45.1
235.17052	2.3
250.01854	1.8
296.74780	2.1
307.19037	3.2
325.20020	2.6
373.22250	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	523.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97528	0.9
53.00291	1.0
53.03920	1.9
54.81942	1.0
55.01862	1.4
55.05507	10.4
57.03225	0.8
57.03429	12.9
57.07069	1.7
57.94641	0.9
59.04994	2.2
61.02924	1.0
61.76764	1.0
65.08441	1.2
67.05496	10.8
69.03064	1.9
69.03416	35.9
69.07057	11.8
71.04976	8.0
77.11300	0.9
79.05495	8.8
81.03401	6.1
81.06584	2.0
81.07033	26.6
83.04956	6.0
83.08593	8.7
85.02890	33.7
85.06522	7.1
87.04448	14.4
87.21728	1.0
89.03880	1.4
91.05458	13.2
93.07024	26.6
95.04952	21.0
95.08582	34.2
97.02868	28.0
97.06507	3.9
97.28954	1.1
99.04428	4.2
99.08075	48.1
102.57849	1.1
105.07011	31.7
107.04968	1.4
107.08572	37.3
107.25208	1.0
109.02844	1.9
109.06497	5.2
109.10140	33.2
111.08053	2.4
113.09634	2.4
115.03920	20.0
117.03352	6.4
117.07008	2.0
118.03678	4.0
119.08561	69.9
121.06474	1.3
121.10125	15.6
123.08038	4.6
123.11662	9.6
125.09608	1.4
126.37305	1.1
127.03889	4.0
129.06955	1.4
131.04935	1.2
131.08508	7.1
133.04964	14.0
133.10110	97.6
135.04384	1.2
135.08032	1.6
135.11668	36.9
137.05911	1.3
137.09596	14.7
143.08507	1.8
145.02826	25.2
145.04895	3.8
145.10132	2.5
146.03162	16.3
147.04427	1.7
147.08000	1.8
147.11658	11.3
149.05945	2.2
149.13245	5.8
150.06329	1.5
151.11113	1.4
153.12743	4.2
155.10689	9.1
157.10109	2.3
159.11638	1.9
161.13133	1.6
163.03867	4.0
163.14754	7.4
171.04234	1.1
171.13799	1.6
173.13243	5.4
175.11253	1.8
175.14787	100.0
177.05423	36.8
177.16359	1.6
178.05760	19.0
181.10265	1.3
181.15790	2.3
193.12233	2.0
193.15855	35.5
209.15369	2.0
211.15115	1.4
211.16905	33.8
215.10405	1.1
217.15819	2.6
229.17944	17.9
235.16919	1.6
241.07256	1.2
280.17618	1.0
289.17801	1.4
307.18967	4.0
325.19940	5.4
337.20038	1.7
340.11014	1.7
397.22086	1.6
399.75711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20657	0.9
55.01860	1.5
55.05500	7.0
57.03429	18.2
59.03750	0.9
59.04990	5.6
61.02903	1.1
67.05492	10.1
69.03417	51.9
69.07049	4.9
70.06599	1.5
71.04971	2.2
72.08135	1.4
73.02884	1.0
75.04453	2.2
79.05476	4.8
81.03403	6.8
81.07049	9.5
83.04986	4.6
83.08613	1.2
84.08140	2.2
85.02892	38.3
85.06523	9.1
86.09711	2.0
87.04452	27.6
91.05451	9.4
93.07027	20.7
95.04954	28.1
95.08583	22.7
97.02871	37.1
97.06510	1.5
99.04425	5.7
99.08072	92.2
101.05978	1.5
103.03932	2.4
103.05508	1.0
105.07014	12.9
107.04950	4.8
107.08581	18.7
109.02867	2.3
109.06490	4.2
109.10158	16.2
109.30564	1.0
112.07525	1.0
113.09631	2.1
115.03923	25.1
117.03345	8.7
117.05435	1.8
118.03728	1.8
119.04940	1.3
119.08566	28.2
121.06488	1.8
121.10149	7.6
123.08070	1.8
123.11665	1.3
125.05931	2.0
125.09597	1.7
127.03876	5.0
127.07501	1.2
127.08758	1.0
129.10257	1.7
131.08548	2.1
133.04959	22.8
133.10106	100.0
135.08098	1.2
135.11688	20.3
136.07571	1.6
137.05937	5.0
137.09595	34.3
137.67377	1.0
145.02823	17.0
145.04950	6.5
145.10098	1.7
146.03149	6.6
147.03384	1.6
147.04417	2.1
147.11693	5.3
149.02284	1.7
149.05963	2.5
149.09682	1.2
149.13243	5.4
151.03954	1.4
153.05470	1.9
155.10651	9.0
163.03883	5.4
165.05386	1.4
167.07068	1.1
175.14789	23.1
177.05469	26.5
178.05803	12.6
179.06009	6.6
181.04955	5.8
193.15852	36.4
195.10136	4.3
211.16905	72.2
213.11192	1.2
355.20654	1.2
523.23108	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	523.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.9
53.03930	1.3
55.05508	8.8
55.05731	0.9
57.03202	1.0
57.03429	14.0
57.07060	1.5
58.43253	0.9
59.04993	9.8
61.02894	1.9
67.05488	9.1
69.03416	45.2
69.07062	2.2
70.03730	1.0
70.06578	2.2
71.04974	5.8
72.08136	2.0
72.68296	1.1
73.02919	1.4
78.79765	0.9
79.05473	5.8
81.03391	5.3
81.07043	13.3
83.04960	2.6
83.08591	1.6
84.08118	2.0
85.02886	41.1
85.06499	7.9
86.03221	1.3
86.09676	4.8
87.04450	23.9
89.03904	1.4
91.05476	8.7
93.07025	24.7
95.04943	22.5
95.08581	23.8
97.02868	35.8
98.03230	1.4
98.97573	1.5
99.04444	5.1
99.08071	87.9
103.03929	1.6
105.07022	12.6
107.04919	2.5
107.08585	16.8
108.08887	1.0
109.02844	2.6
109.06504	4.9
109.10138	20.6
110.30749	1.0
113.09598	1.5
115.03912	26.1
117.03357	10.4
118.03701	4.5
119.04922	1.3
119.08563	27.4
121.06455	1.7
121.10148	8.7
122.79122	1.1
123.08064	2.1
123.11700	1.4
125.09606	1.3
127.03899	4.4
129.05484	2.0
129.10245	1.3
131.08549	2.1
133.04961	18.6
133.10109	100.0
135.04315	1.2
135.08043	2.6
135.11690	20.1
136.07494	1.3
137.05946	6.6
137.09584	31.2
137.10559	1.8
138.06343	1.3
142.99973	1.2
145.02821	24.9
145.04929	5.0
146.03162	11.9
146.83626	1.2
147.03339	1.6
147.04402	4.8
147.11668	4.8
149.06044	3.6
149.09639	2.0
149.13266	2.4
151.11191	1.6
153.05409	2.0
155.10611	7.5
163.03864	5.4
163.07402	1.0
164.04153	2.3
165.08937	1.4
167.06955	1.2
173.13231	1.9
175.14803	28.9
177.05421	30.1
178.05791	13.6
179.06007	8.1
191.14149	1.3
193.15872	37.5
211.16911	66.5
212.10051	1.2
213.11156	1.4
227.16348	2.5
228.16582	1.4
238.60059	1.1
265.27460	1.1
295.10117	1.5
325.17853	1.8
523.23822	11.1
542.84552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30018	0.8
55.05496	8.5
55.92032	0.8
57.32035	0.8
59.00792	0.8
60.47604	0.9
64.32896	0.9
67.05481	6.9
69.07053	7.6
69.39485	0.8
70.09306	0.8
70.12167	1.0
79.05464	5.0
79.39285	0.9
81.07037	15.8
83.08591	5.9
86.09686	1.9
91.05468	5.6
93.07006	12.0
95.04944	4.3
95.08575	36.8
97.06470	1.0
97.10104	1.7
104.10714	2.2
105.07008	24.7
107.08564	18.4
108.27686	1.0
109.06497	1.2
109.10121	13.3
111.08055	1.8
119.08550	76.9
119.40645	0.9
121.06483	1.2
121.10117	21.0
123.08033	1.2
123.11674	4.7
131.08539	2.1
133.10098	21.2
135.11659	12.8
137.09607	1.1
139.07523	4.0
143.08566	1.2
145.10123	5.0
147.11671	15.8
149.09656	1.3
149.13249	4.8
151.11154	1.3
153.09094	2.5
157.10089	1.4
159.11691	4.6
161.09590	1.7
161.13216	8.5
163.14799	6.9
165.09052	1.1
165.12706	1.1
171.11678	1.6
173.13214	7.1
175.14761	28.6
177.16313	1.4
179.14235	1.1
184.07350	1.7
187.14777	2.1
189.16331	100.0
191.17854	17.5
199.14812	2.4
201.16428	2.2
203.17944	1.9
207.17365	13.4
209.19028	4.6
217.15807	4.6
235.16858	35.3
281.17450	1.7
407.32980	1.7
425.34106	18.8
441.33542	1.3
451.32056	1.3
453.33517	16.9
471.34525	29.2
481.32730	13.8
487.33450	1.8
522.34424	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	522.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62921	3.3
55.05509	7.3
59.06105	7.0
60.05619	4.2
60.08146	5.6
61.67057	3.6
61.94209	3.1
64.33298	3.8
66.89267	3.6
67.05479	7.8
68.70258	4.1
69.07045	5.9
71.43262	3.7
79.05461	9.6
81.07029	20.2
83.08602	4.0
86.09684	28.0
92.08677	5.3
93.07014	10.5
93.62846	4.4
95.08565	9.0
104.10712	18.2
105.07024	5.1
107.08581	7.8
109.10136	4.8
117.03357	22.1
119.08601	6.2
121.10155	4.7
125.00006	7.6
145.02826	49.7
177.05418	100.0
184.07350	34.3
297.07977	4.3
319.18707	4.3
463.31738	5.2
481.32684	27.9
522.34857	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	522.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.2
56.05014	1.2
56.63177	0.5
57.03405	0.6
57.07059	0.9
57.53440	0.5
58.65982	0.6
60.07862	1.1
60.08148	21.0
60.18118	0.5
66.39434	0.5
67.05480	3.5
69.07043	4.8
71.07362	8.0
81.07044	2.6
83.08600	3.0
86.09687	71.5
93.07027	0.7
95.08572	4.6
98.98431	6.0
104.10722	98.7
107.08571	2.4
109.10131	1.1
120.15460	0.6
121.10131	1.1
124.99060	1.4
124.99973	41.9
184.07298	100.0
211.63239	0.6
301.90768	0.6
302.73141	0.8
324.02475	0.7
344.46902	0.6
481.32825	2.9
504.34515	7.4
522.35394	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68686	0.1
55.05500	0.4
56.05026	0.3
57.03442	0.1
57.07068	0.2
58.06591	0.4
60.08151	10.1
67.05478	0.3
69.07046	0.9
71.07349	3.7
79.05467	0.2
81.07053	0.2
83.08596	0.3
86.09687	48.4
92.08645	0.6
92.09274	0.9
95.08591	0.2
97.10056	0.2
98.98443	3.8
104.10726	4.0
114.37103	0.2
117.03366	0.8
118.50943	0.2
124.99977	34.8
143.00998	0.2
145.02803	1.9
170.29309	0.2
176.06404	0.2
177.05453	2.8
184.07303	100.0
185.07800	0.2
189.74362	0.2
339.28601	0.2
364.80707	0.2
481.32922	1.4
504.34503	1.2
522.35425	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	522.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14484	0.2
52.67990	0.2
56.58164	0.2
56.65037	0.2
57.03427	4.0
57.07062	2.2
57.59956	0.2
58.72175	0.2
59.04977	0.9
67.05479	2.2
69.03414	13.7
69.07050	1.9
73.02895	0.2
73.11760	0.2
75.04462	0.3
79.05473	1.0
81.03403	0.8
81.07034	15.7
83.08590	0.2
85.02889	8.8
87.04446	15.1
90.45183	0.2
90.45752	0.2
92.09283	0.2
93.07031	1.3
95.08575	3.3
97.02869	9.8
105.05482	0.3
105.06989	0.4
107.08583	1.4
109.02908	0.3
109.10137	1.1
115.03897	7.7
119.08556	0.3
121.10112	1.1
123.11680	47.1
125.13217	3.2
127.03927	0.4
133.04939	4.9
133.10098	0.3
135.11694	1.0
145.04924	0.8
149.13239	2.0
151.11154	100.0
152.11519	0.8
153.62842	0.2
167.14256	0.3
185.43306	0.2
193.15938	1.8
204.58337	0.2
211.16891	51.8
212.17125	0.3
259.08124	0.4
277.09024	0.3
330.24445	0.2
333.17209	0.2
502.27921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.7
55.05503	5.1
57.03412	3.4
57.07056	1.6
59.04971	0.7
61.14700	0.7
64.33609	0.7
67.05470	4.3
69.03408	12.2
69.07053	11.4
70.72651	0.7
71.04956	3.2
79.05475	9.9
81.03378	0.7
81.06591	0.8
81.07037	12.8
83.04955	0.7
83.08611	1.6
85.02893	9.4
87.04436	7.6
91.05466	9.7
92.09193	3.3
93.07019	17.4
94.03266	0.6
95.04955	1.5
95.08579	25.4
97.02866	8.7
99.08052	4.0
105.07005	50.2
107.08574	32.8
109.06456	0.8
109.10154	5.1
113.09637	1.3
115.03892	8.9
117.06979	1.2
119.08551	69.7
121.10107	6.0
123.08099	0.8
123.11662	3.7
131.08490	2.6
133.04945	8.4
133.10101	78.4
135.11653	35.9
135.13257	0.8
137.09576	4.8
145.10109	2.7
146.10884	0.8
147.11670	6.2
149.13260	1.0
160.12402	2.9
169.41295	0.6
173.13251	1.3
175.14781	100.0
193.15862	9.3
237.61052	0.8
250.77032	0.6
255.29306	0.7
295.10162	0.9
398.36661	0.7
425.29730	0.7
479.67200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01865	1.3
55.05504	10.1
56.61596	0.8
57.03438	9.7
57.07063	1.7
59.04980	1.9
61.02901	4.3
67.05495	10.7
69.03067	1.8
69.03417	39.6
69.07058	22.5
71.04985	2.3
73.02901	2.0
75.04447	1.7
79.05460	10.8
81.03392	7.4
81.07041	22.7
83.04954	5.5
83.08605	4.8
85.02885	46.8
85.06524	2.0
86.55244	1.1
87.04455	16.7
91.05458	23.2
93.07034	21.9
95.04956	4.4
95.08588	31.3
97.02866	27.9
97.06521	4.9
99.04437	2.5
99.08073	1.4
105.07010	39.9
107.04887	1.4
107.08585	28.2
109.02847	2.3
109.06509	6.2
109.10147	12.8
111.04446	1.9
111.08042	5.4
113.05996	1.2
115.03920	14.3
117.06979	4.3
117.92693	1.0
119.03736	1.2
119.08562	86.9
121.06482	5.2
121.10119	18.8
123.08050	9.4
123.11726	2.3
127.03911	5.2
128.06232	1.9
129.06966	2.6
131.08542	26.8
133.04965	9.4
133.06468	1.5
133.10103	43.4
135.08047	2.2
135.11665	12.4
137.05939	1.4
137.09583	25.6
138.23756	1.1
143.08568	8.0
144.94728	1.1
145.02841	1.5
145.04970	2.4
145.10092	13.5
147.08017	9.6
147.11668	24.5
149.09622	1.6
149.13258	2.1
151.07538	4.3
151.11180	1.1
155.08514	6.9
157.10146	2.5
159.08020	22.6
159.11620	1.2
160.12444	2.3
161.09593	6.3
163.07504	1.2
163.11223	1.8
165.12706	1.7
167.08537	1.6
169.10118	1.9
171.08055	4.3
171.11629	1.5
173.09586	17.7
173.13254	1.9
175.11159	5.9
175.14786	100.0
177.05470	5.7
177.16371	7.1
179.08553	1.8
181.10094	6.4
183.08118	1.5
183.11670	2.6
186.27934	1.1
191.14383	1.2
192.09363	2.0
193.10318	2.4
193.12222	12.1
193.15868	21.5
195.11714	5.9
197.09535	1.8
199.11250	2.4
205.10115	5.5
207.11719	6.1
209.13240	2.2
211.11174	4.6
211.13104	3.0
215.08717	1.5
217.10124	4.0
217.16068	1.2
219.11743	1.9
221.13263	4.5
222.13989	1.2
223.11243	2.4
223.14819	1.9
225.12723	2.3
232.12434	2.0
233.13208	1.3
237.12718	2.4
237.16141	1.4
239.14401	1.7
245.13206	1.2
247.14706	2.5
249.12686	2.0
250.13472	6.8
259.11172	1.2
264.15030	4.9
265.15833	27.5
271.14822	1.8
279.17450	9.0
281.15466	1.9
283.16876	17.0
289.15826	2.4
292.14600	2.5
295.10397	1.1
297.18500	6.8
298.58069	1.2
307.16678	27.6
325.17908	70.7
343.18982	23.4
351.20450	1.1
487.25296	1.2
512.01532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31983	0.3
53.03928	0.5
55.01851	0.4
55.05494	2.7
56.85807	0.3
56.96555	0.3
57.03429	4.2
57.07051	0.5
59.04987	0.8
61.02902	0.3
61.19727	0.3
65.03929	0.3
67.05486	3.0
69.03414	14.6
69.07040	2.6
71.04959	1.6
72.35297	0.3
73.02874	0.3
78.61006	0.4
79.05470	6.9
81.03380	0.6
81.07037	8.7
83.04956	1.7
83.08565	0.5
84.77398	0.3
85.02890	9.7
85.06527	2.3
87.04440	6.6
91.05455	14.9
93.07019	23.0
95.04948	2.0
95.08576	5.5
97.02865	7.9
97.06500	2.0
99.04435	0.7
99.08048	2.5
103.05434	0.5
105.00127	0.6
105.07009	21.6
106.07374	0.4
107.04932	0.5
107.08572	17.9
109.02872	0.6
109.06503	1.9
109.10130	4.1
115.03920	6.5
117.06994	4.4
119.08554	100.0
121.06461	1.9
121.10110	31.5
123.08031	1.4
123.11695	1.7
124.44904	0.4
127.03878	0.5
131.04904	0.7
131.08530	4.1
132.08894	0.5
133.04941	5.1
133.06496	0.7
133.10110	9.6
134.10411	0.5
135.08002	0.7
135.11668	6.0
137.09578	6.0
142.07756	0.4
143.08517	0.8
144.09048	0.4
145.02847	1.7
145.04932	0.5
145.10121	2.3
146.06020	2.1
147.04387	0.6
147.11662	43.2
149.09586	3.1
149.13226	6.1
151.07484	0.6
157.10130	1.7
158.10820	0.4
159.11630	3.1
163.03902	2.7
163.11171	3.5
165.12704	9.0
173.13187	0.8
174.05516	0.6
174.13528	0.8
175.11142	20.8
175.14760	7.1
177.05545	0.7
177.12723	3.9
177.16504	0.5
178.04930	0.6
181.04912	0.7
181.12242	4.2
191.14302	0.8
193.12204	47.7
193.15843	6.8
195.13736	3.5
206.04507	0.6
209.15376	0.5
210.15659	0.4
211.13243	8.7
211.16850	3.2
231.99759	0.4
329.14240	0.4
504.67651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01853	0.3
55.05507	3.1
57.03428	4.0
57.07050	0.5
59.04983	0.8
60.04494	0.3
67.05486	2.1
67.58150	0.4
69.03413	14.0
69.07056	3.5
71.04971	0.7
73.02898	0.7
79.05473	8.1
79.76989	0.4
81.03385	1.6
81.07040	7.1
83.04963	1.4
85.02880	9.3
85.06514	2.0
87.04440	6.7
89.11801	0.3
89.53596	0.3
91.05455	13.7
92.05794	0.5
93.07016	22.1
95.04969	1.6
95.08589	5.5
97.02856	7.3
97.06474	0.9
99.04399	0.6
99.08071	2.0
103.05460	0.8
105.00047	0.6
105.07003	22.0
106.07310	0.5
107.08563	17.5
108.08899	0.5
109.02825	0.4
109.06494	1.6
109.10117	4.1
111.08047	0.6
115.03899	4.1
117.06994	4.5
119.08550	100.0
121.06479	3.8
121.10115	28.3
123.08054	1.4
123.11687	1.7
125.09572	0.5
127.03885	0.6
130.75740	0.4
131.04927	0.5
131.08543	4.8
132.08914	0.4
133.04921	5.4
133.06491	0.5
133.10091	10.0
135.04428	0.5
135.08003	0.7
135.11656	4.9
137.05960	0.9
137.09576	5.5
139.11189	0.7
142.07784	0.6
143.08566	0.7
145.02823	1.4
145.10089	2.1
146.06009	0.8
147.04401	0.5
147.07938	0.6
147.11656	43.5
148.11986	0.5
149.06035	0.6
149.09618	3.4
149.13226	5.4
150.07565	0.5
151.11095	0.5
157.10106	0.8
159.11691	3.2
163.03870	3.8
163.11082	2.9
165.12714	7.3
167.06895	0.6
167.10686	0.4
173.13185	1.6
174.05460	0.8
174.13516	0.6
175.09621	0.8
175.11147	21.1
175.14749	7.0
177.12706	4.2
178.04875	0.6
181.04945	0.6
181.12160	4.0
191.14284	0.8
193.12198	48.3
193.15820	5.1
195.13776	4.8
211.13258	7.6
211.16879	2.2
242.83215	0.4
296.49258	0.4
307.18988	0.4
329.13968	1.7
549.82953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01866	7.4
57.03426	6.7
58.72985	0.3
61.02912	18.8
61.33494	0.3
61.52797	0.3
66.67018	0.3
69.03415	26.5
71.04960	1.7
71.48062	0.3
73.02897	9.6
81.03398	6.2
83.01330	0.5
85.02888	100.0
87.04456	1.7
91.03931	19.2
97.02868	33.1
99.04422	7.5
101.02345	4.0
103.03929	0.8
109.02859	9.1
115.03884	3.9
127.03892	46.7
145.04936	40.3
163.05978	27.0
193.05020	0.4
195.85916	0.4
259.08118	0.6
271.08127	0.9
289.09103	2.2
325.11191	12.0
326.28497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.05506	0.7
57.03427	1.0
59.05002	0.6
60.97190	0.2
61.02911	0.2
67.05484	0.9
69.03414	3.6
69.07054	0.9
70.03745	0.2
71.01366	0.2
71.04990	1.5
72.48963	0.2
73.02879	0.2
75.73600	0.2
79.05464	0.8
81.03395	2.9
81.07026	2.1
83.04986	0.2
85.02885	3.6
87.04450	1.4
89.03888	3.5
91.05443	1.3
93.07026	2.1
94.07333	0.2
95.04922	0.7
95.08606	0.9
97.02863	1.8
97.06490	0.4
98.18189	0.2
99.04458	0.4
103.05431	0.2
105.03369	0.3
105.07019	2.1
106.07353	0.7
107.08568	2.9
108.08918	0.9
109.02883	1.4
109.06483	0.8
109.10136	0.9
110.06816	0.2
111.04439	0.2
111.08063	0.3
115.03910	0.8
117.03351	16.2
118.03676	0.2
119.04924	0.2
119.08540	2.9
120.08879	1.1
121.06460	0.6
121.10093	2.5
121.23662	0.2
122.10470	0.4
123.08046	1.1
123.11666	1.3
124.08396	0.3
124.12038	0.3
125.09584	0.8
127.03871	0.2
129.09064	0.3
131.08533	1.9
132.08885	0.6
133.04953	0.6
133.10112	1.3
134.03609	0.8
135.04373	1.4
135.08015	1.4
135.11656	0.8
136.08383	0.2
136.11922	0.2
137.05989	0.3
137.09570	3.4
138.09943	1.7
138.21121	0.2
145.02820	62.6
145.10103	1.6
146.03212	0.4
146.10365	0.3
147.08037	0.2
147.11642	2.1
148.11975	0.7
149.05948	6.9
149.09579	1.7
150.09944	0.2
151.11180	1.3
152.11491	0.2
153.09033	0.8
161.13220	1.1
162.13483	0.3
163.03860	1.2
166.08549	0.3
167.07048	0.2
167.10612	2.0
168.10942	0.3
173.13219	1.1
174.13547	0.3
177.05423	100.0
178.05836	0.7
179.03378	0.4
179.14250	0.3
181.04933	0.2
184.09645	1.0
186.05383	0.2
190.13069	0.2
191.14261	1.8
192.14542	0.9
193.12164	0.4
195.06430	1.5
197.11725	0.9
207.13803	0.2
209.15359	2.7
210.15649	0.6
211.09689	0.2
227.16370	2.7
228.16643	0.4
321.09637	2.8
336.16306	0.2
339.10675	6.4
343.13852	0.3
418.24319	0.2
427.39267	0.2
445.22687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61579	0.3
53.03933	1.3
53.55888	0.3
53.94803	0.3
55.01865	8.2
57.03429	8.5
59.09308	0.3
61.02913	15.6
61.32616	0.3
61.58902	0.4
63.22149	0.3
69.03413	31.8
71.01341	0.4
71.04974	2.3
73.02900	8.5
74.18420	0.3
81.03403	6.0
83.01318	0.4
85.02888	100.0
87.04461	1.7
91.03929	13.9
97.02867	36.5
99.04429	7.4
101.02358	4.1
103.03915	0.7
107.04899	0.4
109.02862	9.5
115.03899	2.9
127.03889	61.4
135.04419	0.5
145.04933	44.2
163.03958	4.0
163.05977	27.6
173.45425	0.4
181.05026	1.4
202.70494	0.4
223.05894	0.4
236.77864	0.4
259.08124	2.0
271.08185	0.6
289.09067	3.2
307.09604	0.4
318.30264	0.4
325.11270	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	522.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
54.71696	0.1
55.01859	0.4
57.03422	0.7
57.72829	0.1
61.02901	1.0
69.03419	2.1
71.04977	0.2
73.02901	0.2
79.05466	0.3
81.03403	0.9
85.02888	7.4
87.04397	0.2
89.03895	2.3
91.03925	0.1
91.05444	0.3
92.08942	0.3
97.02878	2.2
99.04425	0.3
107.04945	1.7
107.26039	0.1
109.02879	0.6
117.03357	5.5
127.03890	1.3
135.04391	15.4
139.03867	0.6
145.02831	13.5
145.04935	1.2
153.60938	0.2
163.03873	100.0
164.04227	0.3
181.04922	23.0
277.23831	0.2
325.09097	0.2
410.10474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27353	1.0
55.05497	2.1
57.03175	1.6
57.03431	29.1
67.05475	4.5
69.03403	1.9
69.41485	1.1
69.72981	1.0
71.04979	2.0
73.02900	15.8
75.04462	100.0
79.05460	6.0
81.07042	9.2
83.04951	2.3
83.14326	1.0
84.96061	1.1
85.02895	14.9
91.05446	6.0
93.07037	10.5
95.08576	8.1
97.02888	1.3
97.06491	2.4
98.14390	1.2
105.07014	10.7
107.08573	10.9
109.06529	2.3
109.10150	5.6
111.04393	5.9
117.07019	1.8
119.08547	8.3
120.04536	1.3
121.10109	8.8
125.05959	1.5
129.05435	1.6
129.06981	1.5
131.08521	8.6
133.10095	10.5
135.11668	11.4
143.08522	4.3
145.10106	7.9
147.11693	4.7
157.10129	2.2
159.11667	8.4
161.13210	2.3
171.11684	2.2
173.13245	1.8
183.11664	2.6
185.13248	5.7
187.14854	4.2
187.19183	1.2
197.13269	1.8
199.14786	2.0
205.12172	1.6
211.14676	2.1
213.12709	1.9
213.16501	2.0
217.12334	1.1
231.13739	6.0
237.02797	1.6
279.20929	2.4
293.22595	5.1
321.21997	7.2
339.23108	36.2
357.24142	18.6
363.29285	1.1
375.25153	12.9
479.29742	1.8
521.20923	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	521.3105
Annotation	digitoxigenin 3-O-beta-D-quinovoside
Peak:m/z	Relative Intensity
52.57129	0.5
55.05500	3.7
56.36681	0.5
57.03179	0.9
57.03426	15.5
57.07042	0.8
61.65464	0.6
66.25588	0.6
67.05508	5.1
69.07044	1.1
71.04978	91.6
72.51657	0.7
73.02876	1.4
75.04459	3.3
76.56633	0.9
79.05467	5.0
79.65106	0.7
81.07034	8.2
83.04966	7.3
83.08589	1.4
85.02892	100.0
87.04444	1.4
91.05469	5.6
92.08893	3.1
93.07028	9.8
95.04955	1.1
95.08598	6.5
101.05971	0.8
105.07014	7.7
107.04922	1.1
107.08603	8.6
109.10130	4.7
111.04416	5.4
117.06992	4.1
119.08565	7.1
121.10131	6.8
123.11666	0.7
129.05463	18.2
129.06946	1.5
131.08563	6.8
133.10094	8.3
135.11694	9.0
143.08524	3.5
145.10098	6.9
147.06502	5.2
147.11684	6.4
149.05997	1.1
149.09717	0.8
149.13251	1.1
153.05437	1.2
155.08516	1.4
157.10075	3.1
159.11707	6.5
161.13274	4.0
169.10062	1.4
171.11633	3.6
173.13274	3.3
183.11656	2.8
183.81380	0.8
185.13231	5.2
187.11145	1.1
187.14758	1.5
189.16165	1.0
195.11800	1.2
197.13301	1.8
199.14731	3.2
205.12354	0.9
211.14825	1.0
213.16330	0.9
215.18021	1.1
225.16254	0.9
229.62469	0.8
231.13741	4.0
257.15231	3.2
279.21027	0.9
293.22418	7.3
311.23465	1.3
321.04974	0.8
321.22150	5.3
323.01321	0.9
339.23148	34.3
357.24283	15.4
375.25082	8.8
467.27417	1.1
485.29019	0.9
503.29889	3.0
520.71259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2591
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
54.39716	0.1
55.05496	0.6
56.77180	0.1
57.03424	0.9
57.07055	0.1
59.04999	0.1
61.02913	0.3
67.05495	0.2
69.03413	2.5
69.07037	0.5
71.04967	0.9
72.07001	0.1
79.05466	0.6
81.03387	0.3
81.07033	0.7
83.04926	0.2
83.08608	0.2
85.02896	3.9
85.06532	0.3
87.04453	0.8
91.05452	0.7
93.07027	2.0
95.04946	1.1
95.08584	0.6
97.02878	1.3
97.06493	0.7
99.04427	1.0
105.07016	1.6
107.01329	0.1
107.08574	1.8
109.02848	0.2
109.06509	1.4
109.10133	1.0
111.08046	0.1
115.03904	0.6
119.08562	1.0
121.06454	0.3
121.10123	5.0
123.08038	0.7
123.11687	0.5
126.87766	0.1
127.03885	0.5
131.08533	0.5
133.04918	0.2
133.10106	2.6
135.08067	0.9
135.11646	0.2
135.58398	0.1
137.09595	1.4
139.11208	0.1
144.78818	0.1
145.04961	0.2
145.10141	0.4
147.11674	1.2
149.09598	100.0
150.09929	0.5
151.11147	1.5
153.09093	0.9
163.14807	0.8
165.12798	0.1
173.13170	0.9
179.03360	0.5
191.12486	0.2
191.14262	5.3
209.15332	13.2
211.48532	0.1
213.05486	0.1
227.16377	5.7
296.82800	0.1
331.95184	0.1
389.21674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2574
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
50.46235	1.6
53.00279	1.5
53.03923	3.0
55.05497	9.9
57.03423	19.0
57.07063	3.7
59.04969	3.7
59.22131	1.4
66.99810	1.5
67.05482	10.9
69.03416	44.0
69.03764	3.2
69.07050	16.6
71.04978	24.6
75.04475	2.2
79.05470	8.6
81.03406	3.2
81.07050	18.3
83.04968	7.5
83.08610	9.7
85.02893	34.6
85.06531	9.2
86.09688	2.1
87.04448	21.9
89.25948	1.5
91.05447	12.7
93.07029	18.5
95.04949	48.6
95.08585	21.1
97.02869	27.4
97.06507	25.4
99.04430	53.8
99.08048	4.1
100.11227	3.8
102.03502	1.9
105.07021	25.7
107.04954	3.1
107.08572	33.8
109.02859	1.8
109.06499	32.0
109.10123	14.4
111.04392	2.7
111.08057	4.3
113.09589	2.5
115.03908	11.3
115.07568	2.5
117.06990	2.2
119.08556	25.8
121.06491	4.5
121.10120	22.4
121.89610	1.8
123.08051	14.2
123.11694	14.5
125.05929	2.7
125.09612	3.1
127.03908	2.5
127.07526	2.2
131.08575	18.8
133.04944	10.7
133.10106	56.8
135.08063	13.1
135.11682	9.3
137.05949	3.0
137.09616	3.9
139.11159	11.3
143.08525	2.5
145.02786	3.6
145.10118	12.2
147.11655	29.9
149.09610	23.0
149.13268	14.4
151.11203	4.5
153.09062	24.3
158.10896	4.3
161.13242	3.0
163.03862	4.0
163.14789	4.3
165.12697	3.5
167.07031	2.1
169.12285	2.6
173.13220	33.2
175.11069	1.9
177.05418	7.9
183.13770	8.8
191.14275	35.0
207.13840	2.0
208.14055	2.2
209.11938	1.7
209.15327	67.7
227.16380	100.0
228.13724	3.3
237.14494	3.2
237.64459	2.1
238.16026	2.5
246.14890	8.9
341.17374	3.3
353.47003	2.1
486.02808	2.0
521.26331	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	521.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01754	0.6
52.81660	0.6
54.81552	0.7
59.93637	0.7
63.80909	0.6
68.72327	0.6
75.90376	0.7
79.05476	0.9
79.40067	0.7
81.07018	1.4
85.06512	0.7
86.73351	0.6
93.07010	1.7
95.08566	1.6
104.37360	0.8
105.06936	0.8
107.08573	3.0
109.10150	1.1
112.59600	0.6
119.08582	3.0
121.10085	1.5
131.08542	0.9
133.10103	1.3
134.51726	0.8
135.11684	0.9
147.11700	1.2
155.39844	0.7
161.13191	1.0
167.06718	1.1
173.13231	1.0
183.22165	0.7
187.14824	1.1
200.99516	0.7
201.23448	0.8
395.14508	0.8
521.28589	100.0
522.28674	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	521.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.81479	0.6
55.01865	1.2
55.05494	5.4
57.03421	5.4
57.07059	2.6
59.04976	2.7
62.54799	0.5
67.05484	8.5
69.03411	7.9
69.07053	9.3
71.04979	5.2
79.05469	6.2
81.03404	2.5
81.07038	16.6
83.04959	8.4
83.08606	5.6
85.02876	9.1
85.06528	7.3
87.04457	2.7
91.05465	7.0
92.08812	2.3
93.07018	22.7
94.41956	0.7
95.04942	8.7
95.07996	1.2
95.08583	24.9
97.02866	5.6
97.06505	5.5
97.10136	1.3
99.04424	1.5
99.08068	16.9
103.05446	2.4
105.07011	11.4
107.04956	8.0
107.08576	51.6
109.06495	14.0
109.10143	16.7
111.08057	6.7
115.03873	1.0
116.98754	0.6
117.06989	0.9
119.08553	7.9
121.06487	22.3
121.09255	1.4
121.10122	36.8
123.08047	20.7
123.11674	3.8
125.05965	1.3
125.09608	8.0
131.04886	3.2
131.08546	16.3
131.54704	0.6
133.04872	0.9
133.10097	23.7
135.08035	18.9
135.11670	5.3
137.05980	1.1
137.09605	9.0
139.07520	1.3
139.11137	4.4
145.10101	4.0
147.11658	10.0
149.09595	67.0
149.13220	22.2
151.11157	24.7
153.09079	7.4
158.10876	2.8
163.11157	3.1
163.13527	1.2
163.14793	22.8
163.82027	0.7
165.12723	1.2
165.74298	0.7
173.13234	22.9
177.05423	1.1
190.42200	0.6
191.12480	1.0
191.14270	52.5
209.15332	100.0
227.16408	12.0
234.13080	0.7
389.21600	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	521.2591
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
50.72246	1.1
51.65897	1.0
53.03945	1.4
55.01863	1.2
55.05497	5.3
57.03429	13.0
59.04977	5.2
61.02900	1.8
64.93005	1.0
67.05482	7.3
69.03412	47.8
69.07041	9.6
71.04974	24.5
75.04417	1.1
79.05465	9.3
79.87459	1.2
81.03384	4.7
81.07037	18.2
83.04951	8.2
83.08586	7.6
85.02888	29.7
85.06516	6.8
87.04432	13.1
89.06001	7.9
91.05446	7.7
92.09274	2.5
92.83244	1.1
93.07029	12.6
95.04951	16.9
95.08588	15.9
97.02870	19.3
97.06518	24.4
97.10107	1.2
99.04433	32.9
99.08058	5.5
105.07014	17.7
107.04945	1.7
107.08585	32.1
107.14375	1.1
109.02839	1.7
109.06500	39.7
109.10159	15.5
111.08047	8.3
113.05984	2.2
113.09624	1.2
115.03904	11.5
115.07553	6.0
119.08544	16.3
121.06487	2.1
121.10126	41.1
123.08047	6.7
123.11684	6.6
125.09624	10.1
127.03873	9.9
131.08548	11.9
133.04922	9.4
133.10109	45.4
135.08047	10.1
135.11639	5.8
137.09581	2.6
139.11156	100.0
145.02817	1.9
145.04951	4.6
145.10126	4.8
147.11664	29.1
149.09639	3.0
149.13249	6.9
151.11180	8.2
153.09088	14.9
158.10854	2.5
163.11128	1.5
163.14807	9.0
165.12773	1.7
169.12180	2.7
170.28369	1.2
173.13231	21.6
177.05406	1.5
183.13783	2.6
189.07547	5.2
191.14275	25.2
203.90784	1.3
209.13469	2.4
209.15340	48.6
227.16379	89.9
377.88034	1.4
389.21524	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	521.259
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
55.05501	11.6
57.03427	13.9
57.07058	1.4
59.04977	6.3
62.47535	0.9
67.05478	7.0
69.03066	2.1
69.03416	45.5
69.04525	2.2
69.07045	7.0
71.04977	8.9
75.04462	2.2
79.05449	5.7
81.03380	2.5
81.07048	13.6
83.04968	17.1
83.08598	7.4
85.02888	36.2
85.06514	5.8
87.04455	21.6
90.39478	1.1
91.05447	8.8
93.07017	13.9
94.43179	1.0
95.04949	43.6
95.08581	10.8
97.02868	38.0
97.06514	20.3
98.97515	1.3
99.04423	12.8
99.08068	6.9
101.05954	1.1
102.09116	1.7
103.05437	1.9
103.07615	1.0
105.07012	20.0
107.08575	17.7
109.06495	29.9
109.10143	19.2
111.04420	1.9
111.08066	7.5
113.05928	2.5
115.03915	22.5
115.07532	1.8
116.98599	1.7
119.08561	12.7
121.06454	2.1
121.10123	26.1
122.80106	1.1
123.04383	1.9
123.08031	7.0
123.11681	5.2
125.09611	7.1
127.03864	2.2
127.07483	1.5
131.04878	6.2
131.08563	8.5
133.04951	19.0
133.10101	45.6
135.04347	1.8
135.08008	9.5
135.11649	5.3
135.81119	1.3
137.05937	2.0
137.09610	2.1
139.11206	4.7
144.23137	1.1
145.02831	2.0
145.04932	2.0
145.10078	6.8
147.04327	2.1
147.11664	41.4
149.13205	5.0
151.11127	1.7
153.09074	25.0
158.10869	2.6
163.03865	20.7
163.11163	1.6
163.14749	7.1
165.12717	6.0
167.06889	1.5
171.10147	7.6
173.13249	22.4
175.45479	1.2
177.05376	1.7
179.10629	1.4
181.04958	2.0
189.05370	1.3
191.14261	20.6
209.15327	48.9
227.16371	100.0
295.10272	1.4
325.09009	1.6
342.15906	1.3
350.76221	1.3
459.98517	1.2
521.22107	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2589
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
53.03951	0.7
55.05500	9.0
57.03426	3.2
57.07060	3.5
67.05491	2.8
69.03067	1.1
69.03419	20.7
69.07057	5.7
71.04966	1.5
79.05481	3.3
81.03397	1.1
81.07040	6.2
83.04967	8.7
83.08600	4.6
85.02899	8.0
85.06536	1.3
87.04463	2.9
88.22921	0.7
91.05457	1.3
93.07016	8.5
95.04932	3.3
95.08580	9.1
97.02872	1.7
97.06499	4.0
97.10149	6.3
99.04446	1.1
99.08060	10.5
101.32616	0.7
105.07002	3.9
107.04922	1.0
107.08585	22.6
109.06496	4.4
109.10132	9.0
109.57587	0.8
111.04400	0.9
111.08070	8.7
113.05983	1.4
115.03899	1.1
119.08525	1.7
121.06464	3.1
121.10117	18.3
123.08067	1.5
123.11691	3.2
125.05973	1.7
125.09606	70.5
131.08562	2.9
133.04910	1.3
133.10075	9.5
135.08044	10.0
135.11658	4.2
137.09575	4.7
139.07518	3.5
139.11150	1.5
147.11652	4.5
149.09601	85.4
149.13271	10.4
151.11163	20.8
153.09082	20.2
154.09856	4.7
163.14789	11.0
165.12715	1.4
173.13239	9.2
181.96097	0.8
185.01773	0.8
191.14272	27.1
202.29977	0.8
209.15335	100.0
223.38264	0.8
227.16412	23.2
335.95728	0.8
371.20575	1.0
389.21719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83189	1.5
55.01855	2.1
55.05490	9.5
57.03418	14.2
57.07058	2.8
59.04977	3.1
62.29212	1.4
64.63817	1.3
66.54432	1.6
67.05479	10.1
69.03413	43.2
69.07047	10.3
69.15410	1.7
70.93956	1.5
71.04971	35.9
73.02876	1.9
79.05456	8.1
81.03393	7.9
81.07029	21.3
83.04968	12.5
83.08591	10.3
85.02886	26.8
85.06528	17.6
87.04458	15.1
89.05993	3.9
91.05456	9.4
93.07017	24.8
95.04934	10.9
95.08582	21.5
97.02847	18.4
97.06501	9.9
99.04427	89.9
99.08064	22.5
104.21973	1.6
104.84481	1.7
105.07014	14.6
107.04944	7.4
107.08572	64.0
109.02888	2.0
109.05805	1.4
109.06463	13.0
109.10125	20.3
111.08057	6.8
113.09627	3.7
115.03899	8.2
117.03335	1.5
117.07005	2.2
119.08569	8.1
121.06478	19.0
121.10101	43.7
121.49236	1.7
123.08039	31.3
123.11674	17.3
125.05962	2.3
125.09554	13.1
130.19176	1.8
131.08539	18.3
133.04939	2.5
133.10104	30.1
135.08018	15.0
135.11658	6.9
137.09583	10.3
139.07446	1.7
139.11156	34.5
145.02846	7.6
145.04941	2.5
145.10104	7.4
146.03169	2.5
147.11661	12.2
149.09586	61.1
149.13249	19.3
151.11154	24.5
153.09096	6.7
158.10883	2.1
163.11185	3.8
163.14731	17.3
165.12666	2.2
167.10678	2.5
169.12152	3.2
173.13214	22.7
175.03847	1.6
177.05463	9.0
178.05753	7.5
183.13737	15.7
185.70662	1.5
191.14264	33.7
205.04666	6.7
209.15334	100.0
220.36313	1.7
227.16371	76.3
341.17447	2.8
521.16290	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	520.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60020	0.2
57.12133	0.2
67.05479	0.4
69.07063	0.3
71.97378	0.2
72.39725	0.2
81.07007	0.9
93.07015	0.4
95.08589	1.8
104.99404	0.3
105.07018	1.2
107.08597	0.6
109.10173	0.4
111.08048	0.3
113.37601	0.2
119.08561	1.2
121.10096	0.4
123.11657	0.3
124.50420	0.3
126.11765	0.3
131.08551	0.3
133.10110	0.5
135.11646	0.6
146.42447	0.3
159.11685	0.4
175.14807	0.4
197.13138	0.3
362.03461	0.3
439.31772	0.4
479.31219	100.0
480.31531	1.4
485.32547	0.4
497.31900	0.5
520.33759	1.9
538.75562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.2
53.03925	0.4
54.70971	0.2
55.01875	0.5
55.05504	1.8
56.05827	0.2
57.03426	2.8
57.07072	0.3
59.04990	0.6
61.02918	0.5
63.02352	0.3
67.05486	2.6
69.03413	10.4
69.07058	2.8
71.04987	1.8
73.02891	0.5
75.04441	0.3
79.05486	2.0
81.03405	4.6
81.07030	5.3
83.04969	2.2
83.08598	1.6
85.02887	9.1
85.06532	2.4
87.04450	3.2
89.03893	5.1
90.74520	0.2
91.05454	3.0
93.07021	7.0
95.04945	3.8
95.08583	5.8
97.02871	6.4
97.06509	4.8
99.04445	1.7
99.08072	1.7
103.05470	0.4
105.07008	6.0
105.07664	0.4
107.04932	1.2
107.08573	15.4
109.02843	2.1
109.06492	10.7
109.10136	5.7
111.08041	1.9
113.09607	0.4
115.03918	3.3
115.07542	0.6
117.03356	23.1
117.06985	0.4
119.04919	1.2
119.08556	5.3
121.06467	3.3
121.09252	0.4
121.10110	10.9
123.08040	4.3
123.11674	1.1
124.05160	0.3
124.08405	0.4
125.09588	0.6
127.03881	1.3
127.07542	0.5
131.08537	5.4
133.04936	1.9
133.10101	14.4
134.03554	1.8
135.04404	2.0
135.08035	3.2
135.11684	2.2
137.05943	1.6
137.09590	2.2
139.11159	1.6
145.02824	70.8
145.10097	2.0
147.04385	2.5
147.11667	7.7
148.04723	0.2
149.05951	9.4
149.09576	2.5
149.12158	0.4
149.13242	7.9
151.11160	3.9
153.09076	2.6
158.10918	1.4
159.11745	0.3
161.05884	0.3
161.13217	1.5
162.03046	0.3
163.03879	1.5
163.11179	0.4
163.14789	4.4
165.12688	0.3
167.10628	1.2
167.14265	0.4
171.10172	0.3
173.13219	9.5
174.05385	0.4
175.05794	0.3
175.07382	0.2
177.05428	100.0
178.05821	0.4
179.10559	0.3
187.07549	0.3
189.12737	0.3
191.14265	15.6
195.06444	1.0
197.11751	0.3
207.13788	1.4
207.87798	0.3
208.14114	1.1
209.15337	12.6
225.03694	0.2
226.15103	0.5
227.16367	20.9
228.65659	0.3
259.07986	0.3
321.09641	2.8
339.10669	4.3
380.07419	0.4
389.21457	0.4
521.19769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95439	0.1
55.05493	0.5
56.05023	0.5
57.03408	0.2
58.06577	0.2
58.24629	0.1
58.35800	0.1
60.08148	8.8
61.69097	0.1
65.01481	0.1
67.05485	0.8
69.07040	0.7
70.46837	0.1
71.07358	3.8
76.55932	0.1
79.05477	0.2
81.07026	1.2
83.08611	0.1
86.09685	47.9
87.10001	0.2
90.01492	0.1
91.05448	0.2
93.07005	0.3
95.08572	0.6
98.98438	4.3
104.10718	3.9
105.07017	0.3
107.08609	0.1
109.10133	0.2
119.08540	0.2
121.10148	0.2
124.99973	34.9
125.31695	0.1
127.05217	0.1
133.10081	0.2
141.34483	0.1
142.91118	0.1
143.01031	0.6
147.11752	0.1
163.37340	0.1
180.89421	0.1
184.07295	100.0
185.07616	0.2
218.92473	0.1
343.38525	0.1
479.31165	2.3
502.32809	0.9
520.33795	3.7
521.28033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.1
56.05026	1.5
57.03438	0.8
58.06592	1.3
60.08150	21.5
64.33901	0.3
64.88604	0.3
67.05493	6.0
69.07054	2.6
71.07356	9.9
77.86600	0.3
79.05482	2.2
81.07041	6.9
83.08611	0.7
86.09689	68.8
86.47281	0.3
91.05439	1.3
93.07038	2.3
95.08589	4.6
97.06461	0.4
97.10134	0.3
98.98446	5.6
99.69013	0.4
104.10725	97.3
105.07005	0.7
107.08569	0.6
109.10141	2.4
114.37663	0.4
119.08553	1.2
121.10122	1.6
124.99979	40.2
133.10081	0.5
135.11755	0.5
143.01048	0.7
147.11746	0.4
155.01242	0.4
158.11496	0.4
161.13446	0.3
163.01540	0.8
184.07306	100.0
207.15732	0.4
228.57770	0.3
231.21005	0.8
249.21979	0.7
258.10895	0.5
323.25748	0.8
351.48135	0.4
386.16455	0.4
432.50064	0.3
502.32837	7.0
520.33887	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.05502	9.5
57.03432	12.8
57.07065	1.9
58.56631	0.9
59.04984	2.1
67.05488	13.8
69.03413	47.0
69.07056	13.0
71.04980	22.9
73.02879	1.8
79.05466	11.1
81.03404	4.5
81.07032	12.8
83.04958	2.1
83.08606	9.9
85.02886	31.7
85.06525	42.7
87.04446	22.6
91.05470	20.1
93.06464	2.2
93.07018	28.1
95.04948	5.1
95.08578	15.9
97.02867	31.7
97.06505	11.0
97.18732	1.2
99.04444	1.4
103.05432	1.2
105.07013	49.6
107.08572	45.8
108.09416	1.4
109.02856	1.7
109.06503	27.9
109.10140	14.4
111.08048	11.6
115.03913	27.7
115.05378	1.9
117.03340	6.1
117.06953	9.4
119.08564	68.5
121.06470	5.6
121.10118	36.3
123.08047	18.1
125.09621	1.9
127.03913	5.8
129.06985	6.3
130.07727	2.3
131.07620	2.2
131.08539	40.5
133.04938	22.1
133.10110	56.4
135.08037	30.2
135.11696	4.7
137.05937	1.8
137.09590	7.2
141.05617	1.1
143.08534	13.7
144.09335	2.4
145.02817	22.2
145.04887	2.4
145.10104	33.1
147.11667	97.1
149.05956	5.5
149.09593	6.2
149.13245	11.9
151.03896	1.0
153.09003	2.1
156.09285	1.3
157.10170	8.2
158.10912	16.1
159.11679	5.8
161.13152	2.4
163.11177	4.7
163.14865	1.6
165.12686	15.5
171.11642	6.8
173.13223	85.5
173.14737	2.7
175.14784	100.0
177.05412	30.3
178.05844	1.4
180.09167	1.1
183.11679	1.5
189.12688	7.2
191.14273	92.9
193.15872	20.1
207.13776	2.5
208.14127	1.8
209.15315	14.2
215.14346	1.5
225.14705	4.3
259.08224	1.3
279.15942	5.1
295.10071	9.0
297.16891	1.9
305.17392	2.0
307.18900	1.6
327.17969	1.7
339.10809	2.0
356.02219	1.1
520.24341	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
57.03431	2.8
59.04990	0.4
61.02911	0.4
67.05504	0.2
69.03417	8.8
69.07062	0.3
71.04975	0.3
73.02872	0.2
75.04442	0.3
75.85197	0.1
79.05490	1.7
81.07042	0.8
85.02364	0.2
85.02892	7.4
87.04456	9.5
91.01678	0.2
91.05458	1.1
93.07028	1.9
95.04953	0.2
95.08584	0.4
97.02879	6.5
105.03334	0.3
105.07021	5.0
107.04942	2.3
107.08587	0.4
109.06507	2.8
115.03918	4.5
119.04942	0.4
119.08573	2.3
121.06497	2.4
121.10127	13.2
121.59186	0.2
123.08069	2.2
123.11702	3.1
127.03908	0.8
131.08620	0.2
133.04950	3.2
133.07591	0.3
133.10158	0.2
145.04903	0.4
145.10153	0.2
147.04411	1.7
147.11673	4.7
149.09604	100.0
150.09891	0.2
150.43692	0.2
151.11197	0.3
153.09081	3.4
163.14772	0.5
173.13278	0.2
180.59792	0.2
182.99857	0.2
188.34306	0.2
191.14290	2.4
208.16975	0.4
209.15344	46.5
226.17978	2.6
259.08081	0.2
311.27930	0.2
340.29779	0.2
387.08051	0.2
396.08398	0.2
495.39395	0.2
506.35419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71541	0.6
53.00299	0.8
53.03947	0.7
53.56715	0.6
53.69332	0.6
55.05495	1.1
57.03426	5.2
57.07066	1.4
59.04993	1.0
67.05486	3.2
69.03413	67.4
69.07047	4.0
71.04971	0.9
74.24062	0.6
79.05460	1.7
80.32902	0.6
81.07030	5.8
83.04951	4.7
83.08577	0.8
85.02878	11.7
85.06505	4.2
87.04462	7.3
91.05437	3.0
92.03217	0.7
92.09118	1.3
93.07009	4.1
95.08578	11.6
97.02871	11.3
97.06518	5.3
105.07007	6.1
107.08566	19.4
109.06493	5.7
109.10137	5.6
111.08049	3.4
115.03889	6.3
115.45097	0.7
119.08544	4.7
121.06436	1.1
121.10127	14.0
123.08039	4.1
123.11699	5.4
125.09597	28.7
127.03843	1.0
131.08540	8.6
133.04921	5.3
133.10112	6.7
134.60411	0.6
135.08047	12.8
135.11656	8.9
137.09616	1.3
143.08540	1.2
144.09268	0.9
145.10104	5.3
147.11678	4.0
149.09610	8.4
149.13246	5.3
151.11194	1.7
153.09081	8.3
158.10861	7.9
162.40704	0.7
163.11093	3.1
163.14784	5.4
164.63011	0.7
165.12689	5.9
173.13216	30.2
176.11890	1.2
191.14262	70.4
209.15324	100.0
232.45148	0.7
266.56580	0.8
371.20389	0.9
398.13458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.3
53.03938	0.4
55.01865	0.4
55.05503	3.0
57.03425	4.1
57.07064	2.1
59.04987	1.2
60.04505	1.0
61.02910	0.3
65.03926	1.2
66.58813	0.2
67.05485	4.9
67.80267	0.2
69.03413	13.0
69.07050	5.8
71.04963	0.3
73.02898	0.3
75.04469	0.2
77.03909	0.2
79.05473	7.7
81.03399	1.0
81.07039	5.8
83.04971	1.1
83.08597	1.6
85.02884	7.8
85.06525	0.9
86.65313	0.2
87.04446	7.5
91.05459	19.3
92.08652	0.2
92.09161	0.9
93.07019	8.3
95.04951	1.8
95.08579	4.3
97.02867	7.4
97.06519	0.3
99.04427	0.3
103.05437	1.1
105.07008	27.3
107.04942	0.3
107.08571	22.7
108.08900	0.2
109.06527	2.5
109.10120	1.6
111.04437	0.4
111.08084	0.4
113.54017	0.2
115.03907	5.6
115.05405	1.8
116.06233	2.0
117.06994	10.5
119.04836	0.2
119.08553	34.0
120.09357	0.2
121.06494	0.8
121.10114	22.1
123.08035	2.6
123.11678	0.4
125.09594	0.2
127.03887	0.5
128.06190	1.4
129.06975	10.1
130.07753	4.0
131.08536	41.2
132.09286	1.1
133.04948	5.2
133.06477	0.3
133.10101	17.7
135.08020	7.6
135.11621	1.4
137.05963	0.2
137.09619	0.8
141.06963	0.4
142.07764	1.2
143.08537	25.6
144.09328	9.0
145.02809	0.4
145.10095	29.9
147.07999	0.2
147.11653	12.6
149.09586	2.6
149.13231	12.5
150.07593	3.0
151.07509	0.3
153.05449	0.8
156.09309	1.8
157.10056	1.4
158.10873	26.1
159.08084	0.3
159.11679	0.5
160.12439	0.3
161.09576	0.9
161.13208	0.4
163.11182	0.5
163.14754	0.4
171.11636	1.4
173.13216	53.6
175.11159	0.3
175.14780	12.5
177.05432	0.5
187.14778	0.3
189.12665	0.4
191.14267	100.0
192.14609	0.4
207.13774	1.4
208.14122	0.3
209.15323	0.8
233.15263	0.4
259.08163	0.2
277.08997	0.2
305.17361	1.3
323.18460	0.9
353.19357	0.2
368.24551	0.2
485.23422	0.9
520.24988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16646	0.2
55.01875	0.4
55.05503	3.8
57.03417	1.2
57.07052	0.3
61.98695	0.3
65.03915	0.3
67.05486	0.6
69.03414	5.4
69.07056	0.7
71.37864	0.3
79.05473	7.5
81.07038	1.5
81.08023	0.3
83.04960	4.8
83.08595	0.4
85.02885	2.2
87.04449	1.3
91.05454	6.3
92.09017	0.7
93.07008	2.7
95.04965	0.6
95.08608	0.7
97.02866	2.8
97.06523	0.4
99.04425	0.3
105.07021	6.3
107.08578	100.0
108.08865	0.4
109.06511	2.8
109.10139	0.4
115.03922	1.3
117.07001	0.3
119.06043	0.4
119.08523	3.2
121.06554	0.5
121.10123	10.0
123.08051	0.6
129.06978	0.4
131.08566	3.0
133.04907	1.1
133.10123	5.8
135.08041	3.3
137.09590	0.5
138.09082	0.4
138.38449	0.3
143.08572	1.3
145.10103	2.1
147.11665	2.1
149.09651	0.4
149.13229	8.5
150.07570	0.5
153.09114	0.5
158.10886	1.5
163.14778	1.2
166.08577	0.3
173.13234	5.8
191.14276	43.9
207.13773	0.6
208.14174	0.4
209.15311	0.4
215.14439	0.3
254.78757	0.3
338.79721	0.3
416.60117	0.3
467.22540	0.4
485.23959	0.5
491.92828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.0
55.01872	1.4
55.05496	5.2
57.03430	19.0
59.04980	3.6
61.02901	1.4
62.95277	0.9
67.05498	6.7
69.03414	57.9
69.07043	4.4
71.04970	7.7
73.02897	4.0
75.04453	2.0
79.05475	8.7
81.03392	2.2
81.07034	19.0
83.05000	3.0
83.08588	1.5
85.02891	39.6
85.06537	3.8
87.04449	30.4
91.05447	10.5
92.08660	0.9
93.07017	39.0
95.04948	3.3
95.08582	56.6
97.02870	35.8
97.06506	7.3
97.09154	1.0
97.10161	1.1
103.03888	1.0
105.07011	36.1
107.08574	31.4
109.06513	5.6
109.10139	5.9
111.04432	0.9
111.08081	1.1
115.03132	1.8
115.03904	29.7
115.07555	1.8
117.06995	4.7
119.08556	61.3
121.06455	1.3
121.10117	14.7
123.11678	4.3
127.03901	1.5
127.07572	1.0
129.04729	0.9
129.06920	1.2
131.08539	19.6
133.04941	26.2
133.10112	18.3
135.08032	2.1
135.11678	32.7
143.08531	1.7
144.01202	1.1
145.04950	3.8
145.10106	10.8
147.11649	12.3
149.13235	1.5
151.11127	7.2
157.10143	1.3
158.10924	1.4
159.11664	4.6
161.13223	26.9
163.11122	1.5
163.14766	6.7
165.12712	11.8
168.09198	1.0
169.09998	1.0
171.11713	1.4
173.13219	24.8
175.14771	1.3
179.14294	5.9
181.12195	1.4
189.12711	1.0
191.08530	15.1
191.14267	24.6
203.18437	0.9
206.81070	0.9
209.15327	100.0
220.36066	1.0
261.11673	0.8
290.58960	0.9
354.23099	1.0
356.79395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
57.03419	0.5
61.02912	0.1
63.93351	0.1
65.03913	0.3
65.32279	0.1
69.03127	0.1
69.03418	1.8
69.07058	0.1
70.06564	0.2
71.04972	0.2
72.08136	0.2
73.02898	0.1
76.56063	0.1
79.05459	0.2
80.26860	0.1
81.03403	3.7
81.07068	0.1
85.02881	2.1
86.09708	0.2
87.04431	0.1
91.05458	5.1
93.06970	0.1
97.02862	0.9
99.04430	0.2
105.06968	0.2
107.08590	0.2
109.02865	1.4
109.06553	0.1
119.04916	20.5
119.08557	0.2
127.03867	0.5
127.04832	0.1
135.11673	0.1
137.05952	0.2
137.09529	0.1
144.06558	0.1
145.02805	0.2
145.04910	0.1
147.04387	100.0
148.04749	0.5
149.09583	0.2
163.03900	0.2
165.05421	3.6
167.06995	0.4
177.05397	0.5
179.07085	0.1
191.10706	0.2
207.13782	0.2
208.14047	0.2
212.18396	0.1
217.08481	0.1
222.71686	0.1
258.52747	0.1
291.08566	3.0
297.88754	0.1
309.09619	5.7
323.11093	0.1
341.12082	0.2
363.75018	0.1
466.65182	0.1
509.72757	0.2
519.19623	0.1
540.71509	0.1
544.03876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
55.05497	0.3
57.03429	2.1
59.04988	0.4
59.42329	0.1
65.03916	0.3
67.05482	0.4
67.84444	0.1
69.03414	7.2
69.07053	0.8
70.80078	0.2
71.04964	0.3
73.02895	0.2
75.04464	0.3
79.05476	0.4
81.03415	0.3
81.07040	1.4
83.04973	0.2
85.02416	0.3
85.02892	5.4
85.06538	0.2
87.04446	3.5
91.05461	100.0
92.05791	0.7
93.07011	1.0
95.04940	0.4
95.08586	1.2
97.02872	5.1
99.04436	0.4
101.05998	1.5
105.03395	0.7
105.07020	2.6
107.08561	1.7
109.06497	1.1
109.10149	0.7
110.61125	0.2
111.08067	0.2
115.03902	3.2
119.08559	1.1
121.10094	1.2
123.04420	0.8
127.03912	0.3
131.08556	0.7
133.04953	2.8
133.10115	1.6
135.08069	0.4
135.11696	0.3
145.04944	0.4
145.10117	0.4
147.04404	1.0
147.11699	1.0
149.13243	0.2
163.14810	2.7
173.13286	0.8
177.05482	0.2
191.10631	3.8
191.12245	0.2
191.12599	0.2
191.14244	3.5
209.11694	13.4
209.15309	0.8
217.65793	0.2
341.39368	0.2
364.74689	0.2
371.52551	0.2
374.55817	0.2
414.51343	0.2
507.18265	0.2
520.28937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.3
58.51844	0.1
61.02887	0.2
69.03406	1.2
70.91092	0.1
71.04991	0.2
74.06049	0.2
81.03381	0.6
85.02880	3.0
89.03884	0.2
90.66665	0.1
92.09184	0.4
97.02864	1.3
109.02882	0.2
113.93432	0.2
116.07050	0.3
117.03344	0.2
123.04401	5.0
127.03931	0.6
133.02824	5.8
135.04425	1.5
144.06599	0.2
144.59378	0.2
145.04883	0.3
150.05440	0.2
151.03879	3.4
163.03915	0.3
164.04173	0.2
168.06537	0.7
179.03355	100.0
180.03709	0.6
216.23477	0.2
223.14310	0.2
246.31461	0.2
310.32843	0.2
341.08621	12.9
349.07269	0.2
426.96671	0.2
470.75327	0.2
503.87830	0.2
520.14264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.6
55.05506	0.7
57.03433	3.2
57.07065	1.9
58.76923	0.3
59.04717	0.6
59.04990	15.3
65.03922	0.9
66.48021	0.4
67.05488	20.0
67.05849	0.7
69.03414	100.0
70.28770	0.4
71.04972	7.1
72.57325	0.4
73.06534	1.9
79.05485	1.8
81.07040	3.8
83.04982	2.6
83.08589	0.4
85.06521	5.0
87.04456	4.6
91.05470	2.4
92.08735	0.6
93.07022	3.7
95.04945	42.2
95.08598	3.4
96.05271	0.4
97.06504	0.7
99.08047	0.4
100.11258	0.6
101.05988	0.9
105.07023	3.8
107.08564	4.4
109.06474	0.6
109.10139	1.6
113.05987	63.7
114.06402	0.4
117.06992	0.6
119.08570	3.2
121.10093	2.9
127.07523	4.1
129.07014	0.4
131.08559	2.9
133.10114	3.2
135.11676	3.7
143.08563	1.5
145.08575	19.7
145.10106	2.8
147.11673	0.8
149.13275	0.7
157.10117	1.7
159.11703	2.5
161.13278	0.8
169.10196	0.5
171.11662	1.5
173.13322	0.5
183.11678	0.5
185.09598	0.4
185.13243	2.2
187.11055	0.5
187.14886	0.7
197.13223	1.5
199.14851	1.6
201.16374	0.4
211.14917	0.5
213.16286	0.7
215.18018	0.4
218.00601	0.4
223.14801	0.5
231.13861	0.7
243.13756	0.4
251.18059	0.6
279.21063	0.9
290.21768	0.4
293.22717	2.2
321.22046	2.3
339.23117	14.1
357.24185	5.7
375.25284	8.5
438.97098	0.4
542.84705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3313
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
55.05491	1.7
55.90131	1.3
57.03414	2.7
57.07056	2.3
59.04987	50.4
63.74627	1.2
67.05486	33.0
69.03413	100.0
71.04968	11.2
73.06519	2.1
79.05437	2.3
81.07021	2.7
83.04941	5.5
84.12988	1.4
85.06521	9.1
87.04444	16.2
88.92316	1.4
91.22285	1.3
93.07001	2.0
95.04937	56.2
101.05959	6.5
105.06995	2.9
107.08576	3.7
109.06492	2.3
113.05981	81.3
119.08508	1.8
127.07506	10.9
145.08562	50.8
145.09749	2.4
153.64940	1.8
155.08586	1.7
168.62950	1.4
185.13168	2.7
256.28223	1.5
293.22333	2.4
321.22101	3.5
326.71628	1.4
339.23102	21.5
357.24316	11.1
375.25104	16.3
469.29327	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	519.3314
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
57.03425	5.5
57.07051	8.2
59.04998	12.0
64.32932	1.4
67.05493	32.7
69.03426	13.5
71.04975	28.4
79.05481	2.5
81.07021	3.4
82.68018	1.2
83.04958	2.0
85.06526	35.3
87.04478	2.4
90.82493	1.2
93.07001	1.7
95.04944	29.5
95.08570	2.7
105.07027	3.1
107.08577	6.6
113.05992	100.0
114.06315	5.3
121.10098	2.3
125.05964	1.7
131.08585	1.9
133.10065	1.4
134.14023	1.4
135.11679	3.1
143.12537	1.3
145.08574	18.8
157.10078	2.2
185.13171	2.7
286.22208	1.4
293.26141	1.5
339.23080	19.6
357.24191	11.5
375.25342	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	519.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88097	1.2
52.96314	1.5
53.96096	1.2
54.62813	1.2
55.05495	3.2
57.03426	11.4
57.50065	1.1
59.04976	2.2
60.01510	1.5
61.02909	3.5
67.05485	17.1
69.03413	63.6
69.07043	9.6
71.04973	6.6
76.56255	1.3
79.05471	10.1
81.03400	8.5
81.07035	22.9
82.03751	1.6
83.04946	6.5
83.08595	3.2
85.02889	17.3
85.06472	1.8
87.04441	9.1
91.05456	8.2
92.08781	2.0
93.07024	19.5
95.04942	10.1
95.08585	18.5
97.02870	10.8
97.06492	8.6
99.04446	2.2
103.71136	1.8
105.07012	37.8
107.04970	3.0
107.08598	12.5
109.06524	19.1
109.10138	12.1
109.78648	1.4
111.08065	10.5
115.03892	6.1
119.08564	20.7
121.06507	3.3
121.10122	26.9
122.07268	1.8
123.04411	26.5
123.08009	14.4
123.11658	2.7
127.03891	2.0
131.08563	6.3
133.04945	1.7
133.06462	13.7
133.10114	67.1
135.08067	5.2
135.11693	6.9
137.05975	10.5
137.09602	43.3
139.11188	13.9
143.08498	1.8
145.02863	2.7
145.10103	8.4
147.08075	3.0
147.11653	29.3
149.09592	9.1
151.07507	6.5
151.11171	3.6
156.09323	10.7
159.11661	3.6
161.09596	3.4
161.13240	18.9
163.03891	2.7
163.11163	12.9
165.12708	3.1
167.07025	2.0
171.11668	14.7
174.10399	13.6
177.05403	3.7
177.12721	3.1
179.14262	2.2
183.04556	1.6
187.74889	1.6
189.12708	41.5
207.13766	100.0
207.15735	3.4
208.14095	2.0
225.14819	96.9
272.68164	1.8
498.92200	1.7
519.15155	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
54.30570	0.1
55.01856	0.3
55.05495	2.3
57.03432	1.3
57.07066	3.6
59.04980	1.1
61.02906	0.3
63.67523	0.1
65.03923	0.7
67.05490	16.4
69.03060	0.3
69.03413	4.8
69.07044	1.3
71.04977	1.0
71.08582	0.2
79.05463	1.5
81.03380	0.4
81.07036	3.3
83.04964	1.5
83.08582	0.4
85.02892	3.6
85.06525	12.0
86.71673	0.2
87.04441	1.3
89.03852	0.2
91.05453	2.2
93.06478	0.3
93.07022	6.3
95.04958	2.5
95.08582	100.0
96.08913	0.2
97.02873	2.1
97.06492	1.0
98.58940	0.2
99.04425	0.3
103.05425	0.2
105.07010	6.6
107.04981	0.2
107.08577	9.0
109.06499	2.4
109.10149	1.6
111.04412	0.2
111.08043	1.0
113.05981	9.4
115.03908	1.0
117.03326	0.3
117.07001	0.2
119.08556	16.5
121.06473	1.4
121.10120	7.0
123.08039	32.3
123.11661	2.7
125.06058	0.2
125.09613	0.3
127.03905	0.8
127.07504	0.3
131.08533	2.2
133.04950	0.9
133.06468	0.9
133.10086	2.9
135.07990	0.8
135.11665	11.7
137.09604	2.5
137.13223	0.7
139.07484	0.4
141.09122	0.6
143.08556	0.3
145.02803	2.3
145.04907	0.3
145.10120	1.1
147.08052	2.3
147.10577	0.3
147.11658	5.4
149.09590	31.2
151.07529	1.8
151.14799	2.9
156.09299	0.8
159.08035	0.3
159.11670	0.3
160.08786	0.3
161.09555	1.1
161.13210	10.5
163.08984	0.2
163.11142	4.2
165.09048	0.8
165.12708	7.4
171.11632	2.2
174.10373	2.1
177.05409	2.6
179.14288	2.5
189.12703	12.8
190.13153	0.2
207.13760	58.4
208.14107	0.2
213.06050	0.2
225.11096	0.2
225.14821	4.4
386.51929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77262	0.2
53.03939	0.5
54.81128	0.2
55.01877	0.8
55.05503	2.7
57.03434	2.8
59.04717	0.4
59.04992	8.4
61.02897	0.4
63.98149	0.2
65.03907	0.5
65.39400	0.2
66.89742	0.2
67.05491	6.7
69.03413	8.5
69.07041	1.8
71.04974	1.2
73.02889	0.6
79.05474	2.8
81.03406	2.1
81.07034	5.0
83.04961	2.3
85.02891	7.6
85.06540	0.3
87.04449	2.9
91.05437	5.0
92.08966	0.6
93.07021	8.2
95.04939	4.8
95.08586	6.6
97.02882	3.6
97.06502	1.5
99.04422	0.5
101.05969	2.7
103.05410	0.4
105.07012	16.3
107.04945	1.2
107.08578	32.6
108.05735	0.4
109.02843	0.4
109.06499	15.5
109.10143	13.8
111.04430	0.4
111.08081	0.6
113.06015	0.3
115.03922	2.4
117.03348	0.3
117.06988	0.4
119.06099	0.4
119.08557	15.6
121.06485	3.4
121.10128	3.9
122.07244	1.8
123.08041	23.8
123.11674	0.4
125.05954	1.5
125.09599	0.7
127.03916	0.6
131.08548	0.7
133.04927	1.8
133.06506	2.5
133.07393	0.4
133.10097	5.1
135.08028	9.4
135.11667	15.2
137.09593	100.0
138.09911	0.4
139.07544	0.5
143.08588	0.4
145.02840	3.4
145.04919	1.6
145.10089	1.2
147.07991	2.5
147.11664	9.0
149.09607	5.3
151.07526	5.1
153.09093	5.0
156.09277	2.1
159.11626	0.6
161.09587	0.6
161.13223	14.0
163.11104	0.7
165.09033	0.5
165.12755	0.4
167.07043	0.5
171.11681	2.7
176.82381	0.3
177.05434	4.1
177.12700	1.4
179.14325	0.4
189.12704	9.2
193.08601	0.5
206.09276	0.3
207.13779	17.6
209.11620	0.4
225.11455	2.1
225.14813	11.1
259.90057	0.3
361.63489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46965	0.9
50.83521	0.9
53.00295	1.1
53.64260	0.9
55.01872	1.6
55.05497	5.3
57.03422	8.8
61.89133	1.0
63.71611	1.1
67.05492	22.6
69.03413	17.7
69.07054	2.6
71.04974	38.0
79.05463	6.2
80.50583	1.1
81.03378	2.1
81.07028	19.6
83.04971	2.2
83.08568	1.2
85.02884	13.4
85.06527	6.2
87.04466	5.2
91.05461	7.7
93.07026	17.3
95.04954	9.0
95.08585	45.3
95.09194	1.5
97.02868	10.7
97.06496	5.8
99.04445	2.4
99.08109	1.7
105.07025	11.0
105.77882	1.2
107.08575	22.1
109.06499	14.7
109.10139	48.1
111.08082	2.2
113.05953	1.3
115.03893	2.0
117.03368	4.3
117.07037	1.5
119.08549	16.2
121.10126	6.3
123.08047	8.7
123.11699	2.1
125.09592	7.0
127.03909	1.8
127.11166	5.5
131.08542	5.0
133.10089	11.5
135.08043	4.5
135.11609	1.4
136.07475	1.1
137.05971	1.6
137.09593	92.0
137.13223	1.4
143.08525	2.4
145.02832	7.5
145.10100	4.9
147.11682	7.1
149.09618	1.9
151.07518	4.3
151.11162	5.2
153.09041	2.3
155.09435	2.1
155.10645	38.7
157.10138	1.4
159.11620	1.7
161.13232	1.1
163.03844	1.7
163.11143	4.7
165.12717	13.9
171.11719	2.2
173.13252	2.5
175.14774	2.3
177.05432	10.2
181.04893	2.2
189.12767	5.9
190.06194	1.3
193.15775	2.1
199.14799	2.1
207.13777	20.2
221.08136	1.5
221.15413	1.7
225.14807	100.0
303.23065	4.9
321.24228	6.0
387.20059	2.4
413.11578	1.2
476.95782	1.4
519.23932	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	519.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01863	12.0
55.05483	1.5
57.03416	3.4
61.02918	5.0
63.32083	0.6
65.03912	1.3
69.03414	11.5
69.07047	1.0
69.29389	0.7
69.74641	0.6
71.04957	0.9
73.02885	3.7
78.03879	0.8
79.05484	5.4
81.03407	6.0
81.07037	4.1
83.04979	0.8
85.02888	24.4
85.06555	0.7
86.55524	0.6
87.04424	1.2
91.03934	1.0
91.05450	6.3
93.03388	1.7
93.07006	3.5
94.04163	1.5
95.04934	1.2
95.08581	2.9
97.02875	9.1
99.04410	1.2
103.05442	7.9
105.03397	0.9
105.07014	6.3
107.04939	2.8
107.08574	3.0
109.02843	1.2
109.06512	3.6
109.10136	1.3
111.04411	6.0
115.05428	5.1
117.03313	1.6
117.06989	1.1
119.08519	1.7
120.05694	1.7
121.06471	1.3
121.10089	1.3
122.03622	10.2
123.04351	1.6
125.05985	3.9
127.03896	5.2
128.06190	1.7
129.06981	5.1
130.04102	0.8
131.04907	11.2
131.08521	0.9
133.06448	1.3
133.10117	1.6
135.08011	1.3
137.05954	100.0
142.23024	0.9
143.04890	4.4
144.05649	1.3
145.02858	3.0
145.04890	0.9
145.06485	1.2
145.10193	0.9
146.03635	3.0
147.04391	3.1
147.08008	1.2
149.05957	1.6
151.03824	1.4
153.05438	3.8
155.04868	1.3
157.06448	4.7
159.07999	0.9
160.05193	1.4
161.05936	12.7
162.06686	1.6
163.07495	8.9
165.05429	11.9
165.06749	1.2
171.04369	1.7
172.05139	1.5
173.05936	3.0
173.69745	0.7
174.06706	1.0
174.68167	0.7
175.07521	9.3
177.05452	8.6
179.08533	1.0
183.04291	2.8
185.05927	3.2
187.07487	4.0
189.06920	3.7
190.07693	5.3
191.06998	9.3
191.08401	7.4
195.08008	0.9
199.07516	1.7
200.04538	0.8
202.07738	1.5
203.06998	5.2
203.08643	1.3
205.06383	2.8
205.08305	1.1
206.07254	1.0
207.08022	5.9
208.08821	2.5
215.06975	4.8
217.06461	4.3
217.08551	7.1
218.07233	10.3
219.08017	15.3
220.04988	0.7
220.08635	1.7
221.05894	3.5
223.07474	1.1
229.06451	4.5
231.07971	4.5
231.13182	0.8
233.05936	1.0
233.09534	1.5
234.06732	8.4
235.07486	10.0
236.08188	4.9
237.08992	1.2
245.05922	1.3
246.06709	11.8
247.07474	20.2
248.08249	5.0
249.05330	0.8
249.09180	7.0
250.06187	0.9
250.09624	1.0
251.06865	1.4
251.10628	2.9
252.07646	1.2
253.08583	1.2
257.05920	4.1
258.06723	1.5
259.07404	5.3
260.08411	0.9
261.09058	16.7
262.06207	4.4
262.09610	1.0
263.06915	8.1
263.10623	1.3
264.07706	12.8
265.08615	5.5
266.79260	0.7
267.10080	4.1
269.08194	0.9
274.06213	9.6
275.06934	7.9
276.07733	3.8
277.08569	17.1
278.09247	5.9
279.06943	1.5
279.10074	9.5
284.10388	0.9
289.08517	23.1
290.09229	4.1
291.06750	1.5
291.10114	6.3
292.07169	2.8
293.08185	0.9
294.08746	6.2
295.09515	4.4
296.10178	0.8
306.08798	6.1
307.09573	38.4
308.10236	1.2
309.07919	0.9
309.11115	7.6
309.76852	0.6
321.11157	35.5
323.12686	10.4
324.09756	1.0
327.12228	27.8
339.12259	30.1
339.22885	2.6
341.13864	5.1
357.13226	24.2
357.23895	1.3
380.15286	0.8
539.77582	0.7
548.24432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.05019	0.3
57.03432	0.2
58.06583	0.3
60.08149	9.2
67.05498	1.0
69.07057	0.4
69.11894	0.2
70.06562	0.2
71.07352	3.7
73.28091	0.2
79.05474	0.8
81.07034	1.0
86.09686	50.0
93.07020	0.9
95.08586	0.7
98.98438	4.4
104.10721	4.3
105.07013	0.2
107.08563	0.7
119.08536	0.3
119.29763	0.2
121.10130	0.4
124.99976	37.9
143.00995	0.4
147.11684	0.2
163.14690	0.2
166.74304	0.2
184.07300	100.0
187.14735	0.2
201.44023	0.2
270.92557	0.2
393.94559	0.2
448.09848	0.2
453.86215	0.2
483.31668	0.2
500.30991	0.6
518.26367	0.2
518.32404	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	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.4
57.03408	0.8
57.07042	0.8
58.06572	0.9
60.07867	0.8
60.08151	23.1
64.92573	0.8
67.05499	10.4
69.07035	3.6
71.04962	1.7
71.07353	8.2
76.56003	0.8
79.05469	7.6
81.07045	7.2
83.08617	1.7
85.06522	1.4
86.09682	70.6
91.05453	3.7
92.08698	1.0
93.07030	7.0
95.04914	1.0
95.08578	7.8
98.98414	4.6
104.10720	97.9
105.06996	4.7
107.08586	6.0
109.10118	5.1
113.06016	1.4
119.08552	5.2
121.10094	4.7
122.90031	0.9
123.11693	1.6
124.99978	42.8
131.08537	1.5
133.10045	3.5
135.11584	1.1
137.72649	0.9
139.11162	0.8
141.09541	0.9
145.10110	3.3
147.11630	3.4
159.11603	1.6
184.07294	100.0
187.14708	1.2
189.16386	1.2
217.64752	0.9
253.24905	0.9
269.18967	3.5
297.24240	1.4
424.11932	0.9
437.30179	1.7
465.31305	1.2
483.31079	1.4
500.31210	9.8
517.32928	1.1
518.32318	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	518.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44318	0.6
50.93773	0.6
55.01844	1.3
55.05502	7.9
55.05706	0.8
57.03427	13.3
57.07060	15.5
59.04981	3.6
60.04501	0.7
61.02897	0.6
67.05497	6.5
69.03413	40.7
69.07044	0.8
71.04969	6.0
72.68640	1.0
73.02885	1.5
73.06533	1.9
74.43428	0.7
75.04456	3.8
75.98564	0.6
79.05458	1.4
81.03362	3.2
81.07016	3.5
83.04945	1.3
83.08588	1.6
85.02885	32.3
85.06543	1.0
87.04447	25.0
89.03891	1.5
89.06004	66.7
91.05450	1.6
93.07003	4.1
95.04936	1.2
95.08572	9.6
97.02854	27.3
97.06515	1.0
99.04416	0.9
101.09631	9.8
102.90862	0.7
105.06996	3.3
107.07036	3.5
107.08567	4.6
109.02856	3.0
109.06480	3.2
109.10138	10.2
111.08030	1.4
115.03908	19.7
117.03341	3.8
118.03699	1.2
119.04879	0.8
119.08545	3.3
121.02776	0.8
121.10099	1.4
123.07973	0.9
125.05908	0.8
127.03870	3.7
129.07022	1.0
131.04892	0.7
131.08537	1.6
133.04935	14.3
133.06485	3.3
133.08568	16.0
135.04381	1.8
135.07953	0.8
137.05954	1.5
137.09572	15.2
143.08464	1.2
145.02806	16.6
145.04895	1.6
145.06322	0.8
145.10089	3.9
145.12209	8.0
146.03148	1.9
147.04373	3.1
149.05978	3.2
149.09589	1.0
151.09621	15.8
155.10641	5.8
157.10146	1.1
161.05777	1.0
161.09471	1.1
163.03871	4.5
163.07413	1.0
163.11069	1.1
164.04344	0.8
165.08939	0.9
165.12730	1.0
167.06964	0.9
171.11659	4.7
177.05428	18.6
178.05760	3.9
189.09119	1.0
189.12654	1.6
196.02582	0.8
207.15869	100.0
225.14803	15.5
348.71570	0.9
356.88553	0.9
471.02393	0.8
518.20526	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05505	23.5
57.03424	5.1
57.07071	2.8
59.93771	2.0
67.05487	37.9
69.07047	21.0
76.56191	1.9
79.05483	27.6
81.07037	45.9
83.08595	13.8
89.06007	1.8
91.05461	26.8
92.08636	5.8
93.07017	33.7
95.08581	35.3
97.06532	2.3
97.10137	3.4
105.07008	34.3
106.20860	2.3
107.08564	23.8
109.10123	16.3
117.06989	9.9
119.08578	30.2
121.10131	18.8
123.11681	2.4
129.06967	3.0
131.08542	26.5
133.10106	28.0
135.11705	12.0
143.08559	4.9
145.10112	22.9
147.11638	14.6
149.13239	3.0
157.10109	10.3
159.11678	19.2
161.13229	11.2
163.14861	2.7
169.10179	2.7
171.11673	9.5
173.13226	8.3
175.14806	2.3
185.13246	9.1
187.14725	3.5
199.14795	3.8
224.32216	2.1
353.55862	2.3
380.36697	2.4
399.20804	2.4
399.84167	2.1
407.33139	3.3
425.34082	8.6
499.38052	18.1
517.38879	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	518.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.3
53.03934	3.4
53.63591	0.6
54.20479	0.6
54.81593	0.9
55.01869	1.4
55.05506	1.8
57.03427	29.5
57.07067	1.5
58.89804	0.6
59.04982	6.7
60.04510	1.7
61.02909	7.7
67.05478	1.4
69.03414	88.8
69.07040	1.0
69.97964	0.7
73.02890	4.0
75.04459	3.1
79.05474	28.3
81.03388	7.3
81.07042	3.6
83.04967	1.7
85.02888	100.0
85.06522	29.3
87.04446	53.7
91.03967	3.3
91.05440	1.7
92.09093	1.8
93.07032	4.2
95.04951	3.6
95.08599	3.6
97.02866	62.3
99.04430	4.2
105.03366	34.1
105.07012	1.9
107.04948	1.0
107.08560	1.6
109.02868	3.8
109.06496	3.8
109.10118	0.9
111.04475	1.5
115.03905	51.5
119.08578	1.4
121.48911	0.8
123.04402	92.1
123.08051	1.5
127.03889	15.3
133.04936	40.4
133.06476	1.1
135.08008	1.5
145.04933	23.1
150.07620	5.0
151.07515	1.4
153.09081	1.4
163.06018	9.4
164.10724	1.0
181.04999	1.0
181.08571	1.3
189.09105	3.8
199.09567	7.9
207.10161	1.1
217.10744	1.5
223.16864	5.3
224.16582	1.7
229.10637	3.8
241.07031	1.2
257.33133	1.1
259.08142	1.3
285.09619	6.0
295.10242	1.5
321.81519	0.9
337.21497	1.2
344.00858	0.8
355.22626	1.2
379.30341	0.8
457.83328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.2
53.03941	1.3
55.05509	26.8
57.03420	6.3
57.07066	11.5
57.31833	1.0
61.02932	1.2
67.05496	85.3
69.07055	32.0
71.04974	4.5
71.08600	5.2
72.99036	0.9
73.61962	1.0
79.05475	24.3
81.07040	100.0
83.04964	2.0
83.08611	16.1
85.02867	1.5
85.06557	3.5
89.55119	1.0
91.05464	14.0
93.07028	27.8
95.04948	2.5
95.08590	78.5
97.02872	1.9
97.06509	6.4
97.10147	10.0
99.08072	1.3
105.07016	14.2
107.08582	18.2
109.10142	37.5
111.08028	1.6
111.11758	1.8
113.05989	1.4
113.09617	1.2
114.30006	1.1
119.08542	12.6
121.10126	21.2
123.11683	12.5
125.09589	1.3
131.08534	2.6
133.10114	14.3
135.11702	8.2
137.09595	1.5
137.13246	6.7
147.11694	11.7
149.13268	7.3
151.14786	2.4
161.13248	13.6
163.14793	7.7
165.16306	1.5
175.14836	8.2
179.17920	1.3
189.16312	2.0
203.17863	1.2
217.19505	2.2
226.74716	1.1
245.22578	27.2
263.23669	28.7
320.26517	1.2
337.27316	32.7
355.28653	1.4
499.32407	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3158
Annotation	Ganoderic acid epsilon
Peak:m/z	Relative Intensity
53.00277	0.5
57.03421	1.3
57.07064	9.9
59.04990	9.2
65.03917	0.7
67.05490	36.9
69.03412	32.3
69.07026	0.7
71.04974	39.2
73.06533	2.8
77.90981	0.4
79.05447	1.7
81.07030	4.8
85.06525	54.2
87.04429	0.6
91.05463	2.0
93.07013	2.1
95.04949	18.6
95.08581	2.2
99.08071	0.9
101.05993	1.0
105.07012	3.9
107.08582	2.4
109.06512	3.5
109.10110	0.8
110.25050	0.5
113.05984	100.0
117.06940	0.5
119.08556	2.6
125.05954	5.2
129.06949	0.9
131.08565	3.0
133.10127	2.1
143.08537	1.0
145.08571	35.9
145.10020	1.8
147.11632	0.9
153.05412	4.2
155.07034	4.1
155.08371	0.6
157.10094	0.9
159.11731	2.4
161.13219	0.7
171.11682	0.6
173.13188	0.6
175.14774	0.9
185.13235	0.9
189.16306	0.6
199.14891	0.7
201.16414	2.8
217.12340	0.5
286.06616	0.6
286.37994	0.6
319.20636	0.6
337.21350	5.3
355.22592	11.2
373.23581	3.7
438.03561	0.6
503.19949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60905	1.1
52.94709	1.7
55.01869	2.4
55.05503	31.3
57.03426	7.3
57.07076	13.8
58.37688	1.4
65.03889	1.4
67.05492	81.6
67.57240	1.3
69.03409	3.5
69.07050	35.1
70.03754	1.5
71.08636	3.1
79.05473	25.3
79.53572	1.4
81.03404	2.3
81.07037	100.0
83.08611	16.4
84.42352	1.4
84.91199	3.0
85.02893	3.2
85.06538	3.5
85.10157	1.9
91.05478	19.9
91.05969	2.3
93.07027	29.0
95.04942	2.9
95.08583	74.5
97.06512	7.1
97.10154	11.0
99.08080	3.0
105.07014	16.9
107.08583	21.2
109.06476	2.0
109.10131	34.3
111.08047	2.7
113.06014	2.3
117.07052	1.5
119.08567	13.3
121.10132	15.9
123.11667	17.9
128.57094	1.6
131.08560	1.7
133.10103	19.4
135.11673	11.9
137.13232	6.1
147.04388	8.5
147.11661	12.2
149.03462	1.6
149.13283	6.7
155.14383	1.7
161.13266	9.4
163.03854	1.6
163.14796	6.0
165.16376	3.0
175.14830	7.6
177.16393	1.8
179.17940	2.3
221.18782	1.7
245.22626	25.0
263.23630	28.6
283.17065	1.8
313.86768	1.6
337.27209	26.9
499.32166	3.9
517.27460	3.5
517.38788	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3153
Annotation	Cardenolide N-2
Peak:m/z	Relative Intensity
53.22432	0.7
55.01865	1.0
55.04491	0.7
55.05507	1.6
57.03423	3.9
57.07059	1.8
59.04988	43.4
65.03912	1.1
67.05489	32.3
69.03413	100.0
69.07057	1.5
71.04975	11.2
73.06526	5.3
79.05490	1.5
81.07041	4.8
83.04955	1.4
83.08624	0.8
85.06532	9.8
86.94544	0.8
87.04450	16.2
91.05462	5.5
93.07015	5.8
95.04945	48.0
95.08570	3.6
99.08060	1.2
101.05988	4.0
105.07005	7.2
107.08563	4.1
109.06513	3.6
109.10131	1.2
113.05984	61.2
117.06996	1.9
119.08562	5.1
127.07529	10.1
129.06987	3.4
131.07715	0.8
131.08510	6.0
133.10103	4.1
135.11658	1.1
137.23170	1.0
142.07782	1.4
143.08537	4.5
144.75098	1.1
145.08571	33.0
145.10104	2.9
147.11700	3.2
149.13213	1.6
155.08527	3.7
157.10124	4.6
158.04153	0.9
159.11691	4.3
161.13234	1.8
167.08475	1.1
168.09328	1.2
169.10130	1.5
171.11696	1.5
175.07512	4.6
181.10089	2.0
183.11705	4.4
185.13222	1.3
189.09171	1.0
195.11693	3.4
199.14795	1.2
201.08943	1.0
207.11798	1.0
209.09645	1.5
211.11102	1.7
227.10687	3.9
229.12234	4.2
241.12137	1.3
251.17892	1.2
253.19450	1.1
291.20932	1.7
291.90799	0.9
308.60696	0.9
319.20413	3.8
337.21512	23.2
355.22580	26.8
373.23575	23.4
499.30560	1.0
517.31525	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	517.3156
Annotation	Ganoderic acid epsilon
Peak:m/z	Relative Intensity
51.07010	0.5
54.91640	0.6
55.05498	0.8
55.13631	0.7
57.03437	4.8
57.07059	4.6
59.04993	29.5
65.03925	1.3
67.05495	32.8
68.11399	0.5
69.03419	100.0
69.07051	1.1
71.04981	12.1
73.06536	3.6
79.05477	1.3
81.07039	3.0
81.97033	0.7
83.04964	3.5
85.06525	9.4
87.04455	9.1
91.05441	2.9
92.08621	1.5
92.39757	0.7
93.07037	2.6
95.04952	41.4
95.08566	1.5
97.06496	0.9
100.89691	0.6
101.05992	1.6
105.07018	3.2
107.08575	1.6
109.06543	0.6
109.10175	0.8
113.05992	72.4
117.07026	0.9
119.08527	1.1
121.10133	1.3
127.07535	5.7
131.08578	2.2
133.10098	1.2
135.11697	1.2
143.08543	2.6
145.08589	26.9
145.10088	4.5
147.11664	1.3
155.08560	0.8
157.10049	0.9
159.11713	2.6
161.13213	0.9
175.11354	0.6
181.10152	1.2
183.11601	0.8
185.13252	1.2
197.13194	1.0
209.13225	0.9
243.13823	0.7
309.22232	0.8
319.20432	1.0
327.18781	0.7
337.21439	4.8
355.22662	6.7
373.23810	5.2
377.21484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09541	0.8
54.81861	1.0
55.01854	1.2
55.05489	4.3
57.03406	4.6
57.07070	8.3
59.04992	13.8
65.03918	1.8
66.37600	1.1
67.05140	1.7
67.05490	39.6
69.03407	17.7
69.07040	1.7
71.04620	1.8
71.04974	31.1
79.05470	6.3
80.78328	1.1
81.07028	10.8
83.04943	4.6
83.08609	1.7
85.06528	36.1
86.05209	1.0
87.04431	6.4
91.05449	8.1
93.07029	9.6
95.04943	40.7
95.08557	8.4
97.06490	1.3
101.06030	1.6
103.61092	1.1
105.07027	12.1
107.04890	1.0
107.08576	10.9
109.06488	1.3
109.10125	5.9
113.05983	100.0
117.06985	4.1
119.08558	14.5
121.06493	2.2
121.10118	5.9
123.08039	1.2
123.11657	1.1
125.05973	7.9
128.06161	1.7
129.06937	2.4
131.08545	6.4
133.10098	8.2
135.07892	1.5
135.11679	4.5
139.07523	1.2
143.08524	5.0
145.08583	16.4
145.10069	10.2
147.11644	2.5
149.13260	1.7
153.05391	3.6
155.08463	1.8
157.10080	4.8
159.07864	1.1
159.11655	5.9
161.13173	3.8
163.03853	1.1
165.05412	1.7
167.06987	5.3
169.10066	1.5
171.11548	4.0
173.13162	2.0
177.12573	1.2
183.11649	1.5
185.13216	4.3
187.11090	1.3
187.14806	2.3
189.16243	2.0
195.11729	1.9
197.13132	1.4
199.10950	1.1
199.14835	2.5
201.16330	4.0
205.37877	1.1
213.16328	2.3
215.18098	1.2
227.17894	6.7
229.12549	1.1
231.17392	2.3
246.88466	1.1
307.20508	1.1
312.79132	1.5
337.21606	9.1
355.22522	13.8
367.22632	1.9
373.23495	6.2
426.14389	1.3
447.53784	1.1
499.30688	2.6
509.95605	1.2
524.59174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50790	0.7
55.05506	1.1
57.03424	7.4
57.07058	4.3
59.04986	16.3
65.03918	2.4
67.05135	1.6
67.05489	34.3
67.78412	0.9
69.03070	1.7
69.03416	38.3
71.04976	17.9
75.22926	0.9
79.05468	5.2
81.07032	4.4
83.04972	5.2
85.02890	1.4
85.06524	17.3
87.04458	7.4
91.05453	4.5
92.08840	2.1
92.12768	0.9
93.07043	8.1
95.04943	42.3
95.08582	2.2
101.05958	1.5
105.07016	9.6
107.08567	6.5
109.10098	1.4
111.04408	8.3
113.05987	100.0
117.07006	2.0
119.08546	4.9
125.05944	4.0
127.07571	0.9
129.06900	1.4
131.08546	3.7
133.10083	5.2
143.08531	1.6
145.08572	17.3
145.10089	5.0
147.08049	1.6
147.11670	4.2
149.13219	1.3
153.05505	1.2
157.10049	1.2
159.11664	3.8
161.13336	1.5
169.10002	1.2
171.11632	1.6
173.09669	1.1
173.13222	2.1
175.14832	4.6
187.34785	1.0
189.09135	1.1
197.13251	1.5
199.14761	1.1
201.16264	1.7
211.48804	1.1
319.20383	1.5
337.21411	7.5
355.22672	9.5
373.23639	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	517.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78283	0.9
54.81791	1.0
55.05510	1.8
57.03431	2.0
57.07075	9.4
59.04980	7.2
65.03922	1.4
67.05496	44.2
69.03410	24.7
71.04978	27.6
79.05461	6.0
80.25524	1.1
81.07036	23.8
81.18636	0.9
83.04958	2.4
85.06532	43.4
91.05454	9.4
92.08758	1.7
93.07018	9.8
95.04948	30.7
95.08579	6.3
98.35738	1.0
101.05999	1.5
105.07027	13.7
107.08565	6.7
109.06490	1.4
109.10126	1.7
111.04444	1.5
113.05988	100.0
117.06991	6.7
119.08576	11.0
121.10132	1.9
123.98062	1.5
125.05980	8.9
129.06975	1.5
131.08543	12.4
133.10110	16.7
135.11649	1.2
141.06960	1.5
143.08582	7.9
145.08606	14.9
145.10121	16.5
147.11694	4.6
153.05409	2.2
155.07083	1.5
155.08507	2.5
157.10089	6.5
159.11687	17.8
161.13306	1.7
168.09413	1.6
169.10094	4.4
171.11717	2.1
173.13182	2.6
181.10107	1.2
183.11722	4.5
185.13206	6.5
187.14880	1.4
193.10141	2.4
195.11687	6.1
197.13243	2.4
199.14748	2.0
201.16286	1.3
209.13170	1.2
211.14725	1.9
221.13312	1.5
235.14796	1.6
271.16879	5.6
277.19461	1.4
289.17920	1.2
291.20963	5.0
309.22083	1.7
319.20605	2.1
337.21570	26.1
355.22617	18.6
373.23593	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	517.3155
Annotation	Ganoderic acid epsilon
Peak:m/z	Relative Intensity
53.00303	0.3
53.03925	0.3
54.86743	0.3
55.05494	0.6
57.03435	4.0
57.07063	7.5
59.04758	0.3
59.04996	5.9
65.03918	1.4
67.05495	31.7
69.03416	17.0
69.07034	0.4
71.04977	27.5
72.98025	0.3
73.06539	0.8
79.05471	2.3
81.07032	4.8
81.41860	0.3
83.04961	2.2
85.06529	36.0
86.91871	0.3
87.04436	2.6
91.05468	3.0
93.07020	4.0
95.04947	28.8
95.08588	2.7
96.17446	0.3
100.04301	0.3
101.05988	1.4
105.07032	4.0
107.08578	3.1
109.06507	2.2
109.10114	0.4
113.05989	100.0
117.06983	0.6
119.08560	2.2
121.10123	2.3
125.05967	7.5
127.07459	0.4
129.06956	0.6
131.08534	1.9
133.10086	2.0
135.11732	0.4
143.08537	1.8
145.08586	12.9
145.10086	2.4
147.11705	0.8
153.05441	5.6
155.07013	3.5
155.08490	1.4
157.10149	0.8
159.11655	3.0
161.13203	0.5
169.10100	0.5
171.11681	0.8
173.13225	0.6
175.14769	0.9
183.11647	0.4
185.13193	1.8
187.14824	0.7
189.16406	1.3
195.11662	1.4
197.13235	0.7
199.14893	0.6
201.16345	4.1
209.13168	0.4
211.14914	0.6
211.82790	0.4
212.18178	0.4
213.16408	0.6
217.12169	0.5
229.12186	0.4
266.27838	0.4
291.20905	0.7
319.20416	0.4
337.21481	5.2
355.22559	13.1
373.23703	2.7
453.78799	0.4
517.31512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01881	0.5
55.05490	0.6
57.03431	4.2
57.07067	6.8
59.05003	4.5
65.03921	1.9
67.05492	30.7
69.03416	15.4
69.07062	0.6
71.04977	27.0
73.06543	0.9
76.78085	0.4
79.05476	2.6
81.07050	5.4
83.04956	2.6
85.06531	34.4
87.04453	3.2
91.01998	0.4
91.05466	2.5
92.08728	0.8
92.09209	0.9
93.07012	3.5
95.04950	26.9
95.08578	2.6
97.06519	0.8
101.05990	1.0
105.07005	4.5
107.08585	3.3
109.06516	1.1
113.05991	100.0
117.06999	0.8
119.08546	2.9
121.10121	1.2
125.05976	8.5
131.08569	2.2
133.10149	3.1
135.11618	0.6
143.08548	1.9
145.08591	14.0
145.10095	2.9
147.11694	1.2
153.05457	6.1
155.07018	4.9
155.08441	1.0
157.10233	1.6
159.11655	2.0
161.13141	0.7
167.09837	0.5
169.10121	0.7
173.13208	0.6
175.14847	0.7
181.10133	0.8
183.11691	0.7
185.13249	1.1
187.14771	1.0
189.16338	0.8
195.11485	0.6
199.14816	0.7
201.16360	3.9
209.13222	0.7
291.20966	0.6
319.20428	0.8
337.21579	5.4
355.22604	14.3
373.23438	4.7
517.37207	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78076	0.7
53.00272	0.9
55.05502	1.2
57.03422	9.4
57.07068	6.2
59.04987	26.6
60.16717	0.8
65.03923	1.9
67.05137	1.5
67.05492	40.8
67.58557	0.7
69.03058	1.6
69.03413	26.1
69.07056	1.5
71.04971	23.4
77.26200	0.9
79.05482	2.0
81.03360	1.0
81.07047	4.3
83.04976	6.0
83.57957	0.8
85.06528	13.1
87.04452	12.6
91.05457	3.9
93.07027	5.3
93.43886	0.8
95.04946	59.2
95.08577	3.5
97.06601	0.9
101.06007	1.4
105.07011	4.8
107.08591	4.1
109.10162	1.2
113.05987	100.0
117.06989	2.2
119.08582	4.4
121.10115	1.6
125.02364	1.3
129.07091	1.2
131.08563	4.2
133.10127	3.5
135.11655	1.2
137.06042	0.8
138.02527	0.9
143.08539	4.0
145.02829	1.4
145.08556	18.1
145.10112	4.9
147.07980	1.0
147.11662	1.4
157.10143	1.6
159.11664	4.1
161.13260	1.0
163.03860	1.0
163.11154	1.2
171.11745	1.0
173.13264	1.0
177.05463	1.2
183.11725	1.1
195.11694	1.2
213.82416	0.9
222.82874	0.9
267.46826	0.9
309.22229	1.3
337.21500	4.3
355.22632	3.9
371.21820	2.1
373.23663	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	517.3139
Annotation	Probucol
Peak:m/z	Relative Intensity
53.33477	0.5
53.52338	0.4
55.05497	2.5
57.03426	1.2
59.04985	1.1
67.05500	0.9
69.85947	0.6
71.04977	2.5
72.50829	0.4
76.71508	0.5
79.05463	2.6
81.07046	1.3
83.04970	6.3
85.02895	5.6
85.06501	0.7
87.04455	19.2
91.05473	2.2
92.09086	0.7
93.07014	2.6
95.04912	1.3
95.08579	2.1
99.04414	0.6
105.07053	4.2
107.04934	0.6
107.08571	3.1
109.10180	0.8
111.04433	3.0
113.05965	0.6
117.07000	2.9
119.08572	2.7
121.10095	1.1
125.05946	2.0
129.06967	0.6
131.08565	3.1
133.10133	3.6
135.11671	2.2
143.07076	0.9
143.08546	0.9
145.10110	4.8
147.11617	1.9
151.11111	0.6
155.08510	0.6
157.10149	1.0
159.11705	2.6
161.13222	0.5
167.06873	0.7
167.77718	0.6
169.10135	0.8
171.11708	0.8
173.13237	0.6
185.13251	0.6
195.11676	0.6
197.13283	0.7
213.16495	0.7
357.24246	1.3
360.21338	0.5
373.23282	1.3
425.26440	0.7
449.26831	0.7
467.27319	0.8
481.29727	0.7
499.30655	0.8
517.31281	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	517.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00925	0.1
53.03926	0.7
55.01879	0.4
55.02132	0.1
57.03417	0.9
61.02899	0.9
61.17331	0.1
64.82475	0.1
67.05474	0.2
69.03413	3.3
71.04977	0.3
73.02885	0.3
79.05468	0.9
81.03394	1.4
81.73437	0.1
83.01318	0.2
83.04947	0.6
85.02885	8.7
87.04459	0.3
89.03893	5.1
91.03920	0.3
93.58273	0.1
95.04929	0.5
97.02860	2.7
99.04426	0.3
105.23048	0.2
107.04944	2.8
108.20248	0.1
109.02853	0.9
111.04381	0.3
115.03903	0.2
117.03352	7.8
127.03861	1.4
135.04390	20.3
139.03828	0.2
145.02824	14.8
145.04904	0.9
163.03870	100.0
164.04193	0.3
175.70059	0.2
181.04889	0.2
193.04803	0.2
204.07700	0.2
261.87344	0.2
325.09122	0.7
338.13364	0.2
348.52902	0.1
517.21936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92686	2.0
55.05500	3.9
59.04992	4.6
67.05497	26.8
69.03412	50.2
69.07058	3.3
71.04982	7.0
73.28615	2.8
74.47800	2.8
79.05499	5.2
81.07050	13.4
85.06529	15.4
85.63200	2.7
87.04494	2.8
91.05461	10.8
92.64101	2.9
93.07031	12.1
95.04961	26.8
95.08591	18.2
99.08140	3.3
105.07025	11.3
107.08601	12.5
109.06594	3.7
109.10136	3.3
113.05981	56.3
119.08548	12.2
121.10118	14.1
123.11681	4.0
129.07021	3.0
133.10141	4.5
135.11670	4.8
143.08470	3.2
145.08531	6.0
145.10118	6.4
147.11630	4.0
157.10117	3.6
159.11597	3.2
163.03978	3.0
169.10153	3.4
171.85028	2.7
198.27205	3.1
355.22491	3.9
373.23724	6.8
517.29077	100.0
517.35846	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	517.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87256	0.3
53.00295	0.5
53.03929	0.3
55.01861	0.9
55.05498	1.0
57.03423	5.5
57.07064	3.3
59.04987	27.8
61.02915	0.2
63.80238	0.2
65.03914	1.8
67.05489	27.1
69.03411	100.0
69.07054	1.3
70.03732	0.3
71.04968	10.3
73.06533	2.9
79.05473	1.4
81.03394	0.3
81.07039	1.5
83.04958	3.9
83.08603	0.3
85.06023	0.2
85.06517	7.1
87.04448	8.8
91.05457	1.8
93.07010	2.3
94.88467	0.2
95.04940	42.9
95.08572	1.6
97.06509	1.7
99.08062	1.0
101.05984	2.3
102.70194	0.2
105.07018	3.4
107.08587	2.3
109.06482	1.3
109.10136	1.3
113.05981	60.4
117.06985	1.2
119.08553	2.3
121.10115	1.1
123.04526	0.3
125.02265	0.3
127.07523	5.1
129.06972	0.5
129.09070	0.3
131.08521	1.7
133.10110	1.3
135.11687	1.0
143.08548	1.4
145.08571	24.8
145.10048	2.5
147.08034	0.2
147.11690	0.6
149.13185	0.3
155.08475	0.4
157.10109	1.2
159.07983	0.3
159.11641	2.2
161.13271	1.1
163.11171	0.5
169.10115	0.5
171.11612	0.5
173.13196	0.3
177.21994	0.2
181.10074	0.4
183.11647	0.6
187.14827	0.3
195.11667	0.5
197.13235	0.9
199.11743	0.2
199.14816	0.4
201.12746	0.3
203.10641	0.3
209.13297	0.3
213.16341	0.4
223.07582	0.3
223.14880	0.4
225.12668	0.2
227.10602	0.3
235.14809	0.3
243.13930	0.3
277.18991	0.2
291.20895	0.5
337.21576	2.6
353.20810	0.3
355.22592	4.6
371.21960	1.5
373.23621	4.5
407.91632	0.3
499.30231	0.4
517.30774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1337
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
53.00311	0.1
53.03934	0.2
57.03413	0.1
63.02353	0.4
67.05482	0.1
69.03409	0.2
69.07047	0.1
72.49095	0.1
74.37619	0.1
76.72084	0.1
79.05474	2.1
81.03415	0.2
81.07030	0.6
83.04939	0.1
85.02884	0.5
88.74558	0.1
89.03898	10.4
91.05463	0.2
91.32531	0.1
92.09035	0.3
95.04960	1.0
95.08570	0.1
100.09713	0.1
101.87663	0.1
107.04937	4.0
107.08555	0.1
107.73712	0.1
117.03354	15.8
119.04865	0.1
119.08552	0.1
121.02799	0.1
121.10136	0.1
128.58878	0.1
130.88042	0.1
131.08435	0.1
135.04390	33.0
137.05981	0.2
138.81279	0.1
145.02824	20.7
145.10046	0.1
147.04332	0.1
149.09596	0.1
151.11177	0.6
153.05449	0.5
163.03870	100.0
164.04208	0.5
177.05482	0.5
181.04892	0.2
186.05486	0.2
191.14316	0.2
209.15279	0.5
223.13281	0.2
255.96469	0.1
310.67731	0.1
315.02448	0.1
319.08078	1.4
337.09421	0.5
355.11868	0.1
360.42444	0.1
419.58591	0.1
499.12186	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
54.86980	0.1
55.01851	0.6
55.05497	0.3
57.03425	1.0
59.04995	0.1
61.02923	1.3
61.56979	0.1
63.02370	0.1
65.03887	0.2
67.05486	0.3
69.03413	3.2
69.07043	0.2
70.06580	0.2
71.04958	0.8
71.88523	0.1
73.02896	0.3
79.05467	1.3
79.45781	0.1
81.03389	1.7
81.07026	1.0
83.04958	0.4
84.83281	0.1
85.02885	9.6
85.76102	0.1
87.04453	0.8
89.03889	5.4
91.03909	0.6
91.05495	0.1
93.07025	0.4
95.04933	0.6
97.02870	3.7
97.06506	0.1
99.04422	0.7
104.26440	0.2
107.04935	2.1
109.02842	1.0
111.04438	0.2
111.08064	0.3
115.03904	0.2
116.42931	0.1
117.03355	8.2
123.11673	0.1
127.03858	1.3
133.02916	0.2
135.04390	21.9
145.02829	15.2
145.03737	0.4
145.04926	1.4
151.11128	0.2
163.03868	100.0
164.04185	0.3
165.58490	0.1
169.12187	0.3
178.02599	0.2
181.04930	0.3
193.04926	2.3
325.09030	0.3
491.64883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92933	1.7
54.70864	1.5
55.05510	7.7
57.07067	2.0
62.06081	6.7
62.83927	1.6
67.05492	7.8
69.07059	6.4
70.02965	2.8
74.93765	1.5
76.70476	1.4
79.05470	3.9
81.07037	19.3
83.08614	3.1
91.05482	8.3
93.07021	19.6
95.08582	27.3
105.07008	16.0
107.08576	24.8
109.10134	16.4
109.57903	1.8
119.08573	41.0
121.10143	19.7
123.11700	8.4
131.08560	7.1
133.10133	22.2
135.08032	1.9
135.11674	15.4
137.13182	1.6
145.10092	18.7
147.11658	18.1
149.13277	8.7
157.10095	3.1
159.11691	10.2
161.13307	8.1
163.14781	3.8
171.11665	2.2
173.13290	12.1
175.14816	12.8
177.16403	1.6
183.11632	2.7
185.13295	3.6
187.14764	14.2
189.16354	18.4
191.18010	8.3
199.14763	2.4
201.16318	15.7
202.81149	1.9
203.17993	10.1
205.15848	3.3
207.17403	3.2
215.17763	4.6
229.19527	1.8
233.81120	1.8
241.19443	5.4
243.86232	1.7
278.21295	2.3
290.21149	6.1
409.34766	10.2
480.38211	1.9
481.29910	2.8
498.39297	16.9
516.40442	100.0
518.32703	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	517.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.1
57.03411	0.1
63.02364	0.4
64.54628	0.1
66.69189	0.1
67.05472	0.1
69.03415	0.4
73.82657	0.1
79.05463	2.0
81.07048	0.2
85.02895	0.2
89.03896	10.5
91.05455	0.2
92.08753	0.4
92.09354	0.2
95.04940	0.8
95.08591	0.1
105.07030	0.1
107.04937	3.7
107.08551	0.2
111.04385	0.1
117.03357	15.7
119.08552	0.1
128.34947	0.1
133.10130	0.1
135.04391	35.6
137.05922	0.2
145.02826	20.1
146.03166	0.1
151.11116	0.1
153.05453	0.2
163.03870	100.0
164.04178	0.5
173.13126	0.2
177.05438	0.4
181.04819	0.1
209.15353	0.2
266.15088	0.1
319.08096	1.3
337.08890	0.6
353.61169	0.1
373.04166	0.1
499.12097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.7
57.07061	2.0
62.06078	34.2
64.21799	1.1
66.16105	1.3
67.05496	16.1
69.03407	3.1
69.07061	17.1
70.02924	7.3
71.04955	2.1
72.82921	1.2
79.05466	9.8
81.06597	1.7
81.07043	34.7
83.08585	8.5
88.03959	2.1
91.05442	8.7
93.07025	35.2
95.04942	2.2
95.08588	61.4
95.71248	1.3
97.06499	1.8
97.10146	2.9
105.07018	20.8
107.08588	47.7
109.10148	40.9
111.08018	1.6
113.05994	2.2
117.06998	2.5
119.08566	42.6
119.26215	1.4
121.06457	2.1
121.10119	37.4
123.08003	2.4
123.11688	31.4
131.08557	12.5
133.10114	36.1
135.08014	6.4
135.11671	35.0
137.13228	2.6
139.11200	1.6
143.08537	9.6
145.10118	27.0
147.08052	1.5
147.11656	23.3
147.57945	1.5
149.13258	11.2
153.12770	3.5
156.09344	1.6
157.10071	9.5
159.11674	27.4
161.13213	23.0
163.03839	2.0
163.11160	14.9
163.14792	12.7
171.11661	10.5
172.12512	2.0
173.13228	22.4
175.11102	2.4
175.14772	16.6
177.12607	1.5
177.16385	6.4
179.14264	6.0
183.36804	1.6
185.13190	9.5
186.14006	2.7
187.11189	2.7
187.14760	19.1
187.52211	1.5
189.16331	12.1
191.17828	6.1
197.13181	2.2
199.14793	9.4
201.16333	13.6
203.14429	1.6
203.17900	8.2
205.15808	1.8
207.17409	1.9
211.14772	2.0
213.16391	8.6
215.17912	9.0
219.17374	1.9
224.16397	3.1
227.17969	3.4
229.15904	2.1
229.19485	23.1
238.17972	2.6
241.19429	6.3
247.20511	1.6
252.19528	7.4
255.21028	10.8
257.22626	3.6
259.20663	2.0
260.13019	1.6
267.21030	6.3
269.22678	2.5
271.24216	1.5
276.19824	1.6
285.22119	2.2
290.21060	2.2
303.23224	2.6
303.84058	1.6
391.33539	3.5
409.34625	19.4
419.33023	2.2
427.35602	2.0
480.38367	10.4
498.39331	100.0
516.32001	5.0
516.40515	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58095	0.7
55.05500	1.2
57.03416	3.1
57.07053	1.7
59.04989	7.1
59.06120	0.9
60.05637	0.8
67.05145	1.0
67.05492	17.2
69.03416	10.9
69.07053	3.2
71.04983	8.2
79.05465	4.3
80.07767	0.7
81.07030	7.7
83.04943	1.4
83.08614	1.1
85.06523	11.7
87.04448	4.4
91.05464	4.4
93.07023	7.1
95.04952	20.6
95.08575	6.5
105.07010	10.2
106.18241	0.7
107.04947	1.8
107.08584	6.4
109.10108	3.0
109.52174	0.7
113.05988	44.4
117.07016	1.4
119.08582	5.9
121.10126	1.2
123.11679	1.3
125.06026	1.3
131.08539	9.4
133.10112	4.4
135.11630	1.3
143.08536	3.4
145.08609	5.2
145.10081	9.0
147.04385	1.2
147.11713	1.2
148.79034	0.7
149.05984	1.0
149.13158	1.1
155.08484	1.1
157.10107	4.6
158.10823	0.7
159.11649	5.3
161.13258	1.4
163.14531	0.8
163.60451	0.8
169.10081	1.8
171.11694	4.7
172.43753	0.8
173.13203	1.3
175.07487	1.1
175.14677	1.1
183.11670	3.5
185.13214	4.2
187.14777	13.2
195.11710	1.1
197.13249	3.1
199.14812	3.3
201.16394	1.4
209.13278	1.0
211.14763	1.2
213.16331	4.7
215.10559	0.9
225.16249	1.5
227.14226	0.8
235.14772	1.5
239.35143	1.0
243.13818	0.8
251.17807	1.0
255.13805	7.3
267.13785	0.8
269.15286	3.6
277.19437	1.2
281.15268	5.6
291.21057	3.6
309.22003	3.5
319.20490	1.7
337.21558	100.0
355.22626	35.7
397.23346	0.9
453.29260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81932	2.4
55.05489	3.5
57.03460	2.3
57.07066	4.4
59.04985	6.4
67.05493	39.2
69.03400	17.8
69.07073	3.0
71.04965	20.7
71.86295	2.7
78.21838	2.5
79.05489	3.1
81.07041	11.8
85.06548	26.3
85.06985	3.1
87.04429	3.3
87.49109	2.8
92.57137	2.9
92.69988	2.5
93.07012	5.3
95.04940	38.2
95.08572	4.2
105.07011	6.7
107.08559	3.5
109.10139	3.9
110.03880	2.5
113.05988	100.0
121.10050	3.7
131.08568	3.4
145.08574	20.3
145.10114	4.9
153.08043	2.8
159.11662	2.9
163.03827	2.9
189.42760	3.2
199.26955	2.7
213.33386	3.4
214.04454	3.3
219.13779	4.2
232.44528	2.9
355.22388	19.6
419.40634	2.9
467.16943	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.9
53.03923	5.0
55.01860	1.4
55.05503	20.9
57.03429	7.5
57.07053	5.0
57.26700	0.9
61.02906	5.0
65.03905	1.3
67.05489	99.8
69.03410	4.6
69.07055	18.9
71.04960	1.9
72.39898	0.7
73.02891	1.1
74.42997	0.8
79.05470	69.4
81.03393	5.0
81.07036	100.0
82.73586	0.9
82.98578	0.8
83.04968	2.0
83.08610	9.4
85.02879	5.4
85.06503	2.1
91.05453	36.9
93.07016	89.1
95.04942	8.9
95.08578	69.4
97.02883	1.0
97.06499	6.2
97.10117	4.4
99.08057	2.1
104.28627	0.7
105.06358	1.4
105.07014	30.3
107.04945	1.3
107.08570	54.1
109.06483	3.4
109.10136	34.8
111.04380	0.8
111.08051	1.1
111.11703	1.0
113.09566	1.2
115.05376	1.0
115.17300	0.8
117.06999	13.9
119.08549	24.9
121.06473	1.5
121.10118	37.5
123.08038	1.9
123.11670	13.9
125.09641	0.9
127.03856	0.8
129.06972	1.2
131.07803	1.0
131.08534	32.4
133.10103	21.0
135.11655	33.5
137.09596	1.7
137.13234	4.9
139.11148	1.5
143.08516	3.5
145.10092	22.9
147.08040	1.3
147.11661	12.2
149.09613	1.6
149.13246	18.5
151.11110	1.2
157.10144	1.2
159.11644	15.7
161.13239	11.7
163.11090	1.4
163.14777	12.0
171.11646	1.9
173.13225	16.4
175.14810	5.9
177.16319	4.1
179.14247	1.1
183.11734	1.0
187.14777	6.4
201.16397	1.7
227.12596	0.9
233.22513	1.6
243.21019	19.0
261.22064	60.9
335.25754	10.7
353.26700	13.6
369.24100	1.2
391.48199	1.1
405.26022	1.3
443.27722	1.3
460.17908	0.9
461.28494	1.9
497.30930	1.8
515.29663	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01860	1.7
55.05504	19.7
56.16475	1.0
57.03421	8.3
57.07062	2.7
59.04971	1.0
61.02913	5.5
65.03929	1.4
67.05491	94.8
69.03412	3.2
69.07050	22.0
71.01382	1.9
71.04972	3.0
73.02910	2.0
79.05473	66.2
81.03407	2.5
81.07037	100.0
83.04966	2.9
83.08608	10.7
84.98172	1.0
85.02896	5.2
85.06534	2.3
91.05463	39.3
93.07021	84.8
93.89163	1.3
95.04951	7.7
95.08583	65.0
97.02880	2.2
97.06496	5.3
97.10162	4.8
99.03052	1.4
103.05476	1.5
105.07006	33.3
107.08572	50.0
109.06522	5.9
109.10129	33.8
111.08083	2.3
113.06009	3.1
117.07001	19.4
117.15457	1.2
119.08557	25.8
119.21060	1.3
121.06535	2.0
121.10112	39.9
123.08077	1.7
123.11669	13.6
125.09554	1.8
128.06247	1.6
129.07027	2.2
131.08546	26.5
133.10094	20.6
135.11664	28.2
137.13243	2.8
141.05464	6.6
143.08569	1.9
145.10098	21.6
147.11668	15.7
149.09628	1.5
149.13222	18.7
157.10141	2.2
159.11668	18.2
161.13271	11.4
163.14752	10.0
173.13228	16.2
175.14758	3.0
177.12767	2.1
177.16354	3.0
185.13196	1.9
187.14818	7.9
201.16444	2.0
203.89499	1.4
210.70094	1.3
233.22729	2.3
235.27322	1.3
236.89282	1.2
241.01643	1.2
243.21072	17.7
261.22070	59.5
279.23276	1.5
335.25732	6.1
353.26788	14.0
461.29041	1.6
497.30820	2.1
515.29932	1.7
515.36761	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02719	0.6
53.03933	3.6
55.01858	1.8
55.05265	1.3
55.05504	24.1
57.03215	0.6
57.03431	10.6
57.07058	3.7
57.11388	0.6
61.02908	5.3
65.03916	1.8
67.05489	94.5
67.13301	0.6
69.03411	4.2
69.07053	16.1
71.01332	0.8
71.04986	2.7
73.02897	1.7
77.03907	0.7
79.05469	59.1
80.06256	1.0
80.19389	0.7
81.03410	1.7
81.07035	100.0
83.04970	1.8
83.08596	9.9
85.02880	5.6
85.06531	1.4
86.36453	0.7
91.03924	1.2
91.05457	30.9
91.65752	0.9
93.07020	77.8
95.04932	5.9
95.08581	73.5
97.02864	1.6
97.06512	4.2
97.10149	1.7
99.08032	2.8
101.61957	0.8
105.04515	0.9
105.07007	20.8
107.08575	42.7
109.06505	2.9
109.10137	31.1
111.08093	1.4
117.07007	13.2
119.08553	18.9
119.09383	1.1
121.10117	37.2
121.68706	0.7
123.08031	3.2
123.11673	12.2
129.06973	1.6
131.08534	23.7
133.10101	18.1
135.11665	26.8
137.13202	3.9
139.11180	1.3
143.08533	1.3
145.10098	16.0
147.11681	10.8
149.09657	1.0
149.13234	14.4
150.09976	0.8
151.14798	0.8
159.11688	13.5
161.13229	10.6
163.11186	0.8
163.14771	9.3
171.11478	1.0
173.13234	13.2
175.14827	1.8
177.16331	3.2
187.14758	6.7
191.14220	1.1
201.16324	3.2
205.15857	1.4
213.12570	0.9
233.22537	1.0
243.20981	15.0
257.32892	0.8
261.22073	51.3
279.23245	1.9
335.25699	15.5
353.26801	13.6
369.23892	1.5
392.19351	0.9
405.05579	0.8
405.26410	0.9
497.30960	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03157	0.3
61.57692	0.3
64.33680	0.3
67.05486	0.3
67.75394	0.3
76.56730	0.4
89.76711	0.3
93.07009	0.4
102.26797	0.3
113.28551	0.3
119.08604	0.5
185.04202	0.4
263.40927	0.3
308.11023	0.4
465.32370	0.4
515.31812	100.0
516.31989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60752	0.7
53.00290	1.1
53.03927	1.9
54.94356	0.8
55.01867	2.1
55.05506	19.5
57.03429	10.5
57.07057	5.7
61.02910	4.3
62.14592	0.7
65.03918	1.4
67.05488	91.6
69.03400	5.1
69.07048	16.5
69.42352	0.9
71.04973	1.9
71.08617	1.5
73.02897	1.2
79.05472	55.0
81.03377	1.7
81.07036	100.0
83.04961	1.0
83.08597	8.2
85.02875	4.6
85.06503	3.6
91.05457	35.0
93.07016	72.1
95.04935	5.5
95.08580	73.2
97.02853	2.1
97.06501	4.0
97.10129	3.7
99.08084	1.2
105.06365	1.4
105.07012	27.8
107.08574	45.9
109.06497	4.2
109.09381	1.2
109.10138	35.0
111.08037	1.3
117.07010	12.9
119.08556	21.9
121.10121	35.5
123.08056	1.9
123.11690	9.3
129.06963	2.0
131.08531	22.6
133.10115	15.1
135.08063	1.0
135.11671	25.9
137.09578	1.5
137.13234	4.2
139.11183	0.9
143.08559	1.9
145.10077	17.5
147.11665	8.6
149.13210	17.0
151.14732	1.4
157.10144	1.5
159.11641	13.6
161.13251	8.4
163.11191	1.7
163.14763	9.8
169.10092	1.2
171.11670	1.6
173.13239	13.2
175.14790	3.9
177.16335	2.2
179.14258	1.1
187.14824	7.7
201.16365	3.5
233.22557	1.4
243.21040	14.7
259.16953	1.3
261.22095	46.6
263.23761	1.5
279.23138	1.7
283.19189	1.0
317.24814	0.9
335.25732	13.1
353.26797	13.7
369.24295	1.2
461.28394	1.4
479.29584	1.0
497.30841	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01860	1.7
55.05504	19.7
56.16475	1.0
57.03421	8.3
57.07062	2.7
59.04971	1.0
61.02913	5.5
65.03929	1.4
67.05491	94.8
69.03412	3.2
69.07050	22.0
71.01382	1.9
71.04972	3.0
73.02910	2.0
79.05473	66.2
81.03407	2.5
81.07037	100.0
83.04966	2.9
83.08608	10.7
84.98172	1.0
85.02896	5.2
85.06534	2.3
91.05463	39.3
93.07021	84.8
93.89163	1.3
95.04951	7.7
95.08583	65.0
97.02880	2.2
97.06496	5.3
97.10162	4.8
99.03052	1.4
103.05476	1.5
105.07006	33.3
107.08572	50.0
109.06522	5.9
109.10129	33.8
111.08083	2.3
113.06009	3.1
117.07001	19.4
117.15457	1.2
119.08557	25.8
119.21060	1.3
121.06535	2.0
121.10112	39.9
123.08077	1.7
123.11669	13.6
125.09554	1.8
128.06247	1.6
129.07027	2.2
131.08546	26.5
133.10094	20.6
135.11664	28.2
137.13243	2.8
141.05464	6.6
143.08569	1.9
145.10098	21.6
147.11668	15.7
149.09628	1.5
149.13222	18.7
157.10141	2.2
159.11668	18.2
161.13271	11.4
163.14752	10.0
173.13228	16.2
175.14758	3.0
177.12767	2.1
177.16354	3.0
185.13196	1.9
187.14818	7.9
201.16444	2.0
203.89499	1.4
210.70094	1.3
233.22729	2.3
235.27322	1.3
236.89282	1.2
241.01643	1.2
243.21072	17.7
261.22070	59.5
279.23276	1.5
335.25732	6.1
353.26788	14.0
461.29041	1.6
497.30820	2.1
515.29932	1.7
515.36761	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	515.3137
Annotation	Cathafuran A
Peak:m/z	Relative Intensity
51.97001	1.0
56.91214	1.1
58.44162	1.1
59.06102	7.8
67.05481	2.4
69.03418	1.7
70.76231	1.1
81.07033	2.5
91.05466	2.2
93.07056	1.9
95.08578	6.2
98.26035	1.4
105.07010	3.2
107.08585	2.8
109.10102	1.3
119.08513	2.0
129.06976	1.2
130.10931	1.2
131.08626	1.3
133.10120	1.9
135.11670	1.8
145.10156	2.0
145.81215	1.4
149.05917	3.1
248.53355	1.4
335.62396	1.5
400.84442	1.4
515.31104	100.0
541.22723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	0.5
63.46615	0.3
66.55058	0.3
67.05498	0.3
79.05490	0.4
83.16106	0.3
92.08740	0.5
93.07030	0.5
93.33376	0.3
95.08580	0.7
105.07006	0.6
106.29570	0.3
107.08583	1.3
119.08561	0.8
121.10072	0.4
133.10167	0.7
135.11671	0.4
147.11673	0.6
159.11662	0.5
185.04234	0.5
189.16373	0.6
203.05264	1.6
203.18115	0.6
207.17430	0.3
221.44443	0.4
259.07852	0.5
348.01587	0.4
427.35669	1.6
428.36105	2.0
473.36032	0.6
474.36407	0.7
514.50909	0.4
515.31830	100.0
516.31903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3004
Annotation	fijianolide A
Peak:m/z	Relative Intensity
52.36773	1.3
53.03914	1.4
55.05500	7.4
57.03417	3.4
57.07059	6.7
59.04970	7.5
61.31437	1.7
67.05489	32.4
69.03426	20.5
69.07052	3.2
71.04967	24.9
72.39513	1.6
76.55793	1.5
77.82543	1.6
79.05456	9.0
81.07035	14.3
83.04971	7.6
83.08585	10.3
85.06533	34.4
86.52930	1.6
87.04433	7.8
91.05450	9.3
93.07016	8.8
95.04942	41.4
95.08575	11.4
99.14780	1.9
99.51538	1.8
101.05981	2.1
105.07008	18.5
107.08559	8.3
109.10138	11.7
113.05205	3.3
113.05988	100.0
114.36555	2.1
117.07011	3.7
119.08551	4.2
121.10068	4.3
123.11611	2.6
127.07511	2.4
127.11122	2.0
127.82298	1.8
129.06981	2.7
131.08481	6.2
133.10089	6.9
135.08018	2.3
135.11646	2.6
141.06964	3.6
142.07759	2.1
143.08524	9.1
145.08600	15.9
145.10100	8.9
147.11681	17.6
155.08553	7.2
157.10101	6.9
159.11635	4.2
161.13237	3.1
165.06973	3.0
165.12695	3.7
167.08469	6.6
169.10086	7.3
173.05829	2.4
181.10123	10.4
183.11681	2.3
193.10295	2.4
193.12093	2.2
195.11691	3.2
197.13139	2.1
207.11574	4.1
221.13115	1.9
225.09018	7.2
227.10640	4.2
253.12154	17.0
259.69958	2.4
260.57053	2.0
323.19876	4.1
335.19983	20.6
335.26163	3.1
341.20706	2.2
353.21005	14.5
353.26785	3.2
361.98529	2.1
371.22061	39.8
515.30109	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	514.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.4
55.78696	2.4
57.03403	2.6
57.07055	14.7
57.72108	3.0
59.04980	4.0
63.25347	2.4
67.05490	41.5
68.05812	2.6
69.07056	23.3
69.53587	2.6
70.06563	4.7
71.04974	6.8
71.08618	2.9
73.06517	5.5
79.05470	31.3
81.07034	80.9
83.08594	30.5
84.49413	2.7
85.06517	6.0
88.07596	4.9
91.05447	15.6
92.09280	3.2
93.07003	13.8
95.08588	100.0
97.10146	12.8
102.09106	4.4
105.06992	16.8
107.08592	23.4
109.10123	15.2
117.22939	2.8
118.47472	3.4
119.08562	13.9
121.10097	11.3
123.11697	3.1
131.08556	3.6
135.11629	6.1
137.13240	27.3
147.11642	23.8
201.14819	61.2
204.49185	3.2
209.20348	3.0
234.86253	3.0
256.26297	4.2
257.26620	6.8
261.22034	5.7
279.23090	16.4
283.26221	6.6
284.26581	11.8
297.24228	6.3
461.36023	20.6
513.50275	19.1
514.50537	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	515.2996
Annotation	fijianolide A
Peak:m/z	Relative Intensity
55.05506	1.6
57.03414	8.0
57.07053	6.3
58.33461	1.1
59.04991	32.3
61.08419	1.0
63.66626	1.0
65.03918	2.5
67.05139	2.2
67.05491	49.7
69.03421	28.5
71.04977	21.6
77.94887	1.1
79.05472	8.2
81.07043	19.4
83.04943	4.5
83.08567	1.7
85.06528	11.9
87.04444	14.2
87.36190	1.1
91.05474	9.6
93.07024	19.0
95.04945	66.9
95.08572	11.0
97.06517	1.9
97.30676	1.2
101.05985	1.7
105.07020	18.4
106.29602	1.5
107.08588	9.3
109.10137	1.5
113.05988	100.0
117.07022	1.8
119.08582	22.6
121.10146	1.8
129.06979	1.9
131.08540	9.6
133.06468	2.2
133.10106	15.6
135.24638	1.2
143.08560	1.7
145.08588	17.3
145.10164	2.5
146.78438	1.3
147.08032	1.3
147.11658	11.5
157.10075	2.9
159.11697	2.0
173.13243	2.7
175.07518	12.2
175.14787	93.8
179.06987	2.7
183.11652	1.9
296.65854	1.3
314.65942	1.3
335.19931	5.5
353.21094	26.6
355.22433	2.3
371.22076	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.9
57.03424	2.9
59.04996	9.5
61.49286	1.1
62.34212	1.1
63.44079	1.0
67.05496	15.0
69.03428	1.3
69.07038	6.0
71.04977	5.3
72.47620	1.1
73.06506	1.7
75.04453	5.2
75.34631	1.5
76.16750	1.1
77.36256	1.1
77.55721	1.1
79.05466	11.1
81.07053	15.3
83.04964	7.5
83.08591	7.4
85.02897	25.1
85.06529	15.9
86.72366	1.2
87.04450	63.9
90.37045	1.3
90.46888	1.1
91.05473	14.0
93.07011	10.0
95.04951	2.3
95.08624	9.6
99.04410	2.0
101.05969	1.3
105.07017	16.4
107.08575	10.8
107.09193	1.3
109.10127	12.6
111.04411	5.8
115.05489	1.3
115.07537	2.6
117.07010	5.2
119.08566	14.2
120.26749	1.2
128.06203	2.2
129.05447	2.2
129.06987	12.0
130.07738	1.2
131.08556	14.0
133.06441	2.4
133.10088	5.6
135.11697	1.4
139.04103	1.7
141.06964	2.3
142.07713	2.6
143.08536	10.5
145.10078	7.2
147.07999	1.9
147.11697	2.9
149.13269	5.8
154.07744	1.8
155.08455	9.5
156.09290	1.6
157.10107	14.6
159.11708	11.7
161.13190	10.9
167.08534	2.4
168.09308	6.1
169.10117	9.4
171.08023	1.4
171.11670	7.5
173.13202	1.9
175.07535	14.5
175.14844	1.7
181.10123	5.9
182.10863	3.0
183.11623	10.7
185.09485	2.4
185.13237	1.6
187.07526	1.7
187.11156	1.7
189.09117	2.5
195.11650	5.9
197.13220	5.2
201.09145	2.8
209.13245	2.9
211.11086	2.8
213.09096	12.1
213.12604	2.0
215.10791	1.4
223.14832	1.7
227.10657	24.8
229.12169	9.5
235.14766	1.6
241.12187	7.4
255.13678	7.3
279.95370	1.2
291.20972	1.6
337.21564	49.8
344.23364	1.3
355.22586	100.0
356.22891	1.6
357.23938	5.6
427.25201	1.3
515.29712	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	514.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01861	1.2
55.05498	2.9
56.00381	0.5
57.03428	10.6
59.04992	2.4
61.02943	0.5
66.96014	0.5
67.05492	24.1
69.03068	0.9
69.03419	23.4
69.07065	0.9
70.06597	0.7
71.04979	1.4
73.02901	3.2
75.04472	0.6
75.28592	0.5
76.89085	0.6
78.79055	0.5
79.05476	24.4
81.03384	1.3
81.07037	20.9
83.04993	4.1
85.02894	17.8
85.03423	0.8
85.06541	0.9
87.04456	12.8
91.05486	2.5
92.08867	3.4
93.03410	0.7
93.07052	4.1
95.04973	2.3
95.08585	3.2
97.02868	14.7
97.06538	2.3
97.10173	0.8
99.04399	1.0
105.06993	1.2
107.04923	0.7
107.08578	70.2
109.02863	0.9
109.06501	1.4
109.10142	17.6
111.04427	28.4
111.08060	1.3
115.03909	10.5
117.07012	0.9
121.10151	4.4
123.08064	1.2
125.05970	1.2
125.09602	12.7
127.03921	2.2
133.04933	7.0
135.08032	12.2
137.09586	1.3
139.11174	0.8
145.04951	0.9
153.09081	69.3
154.09355	0.6
155.10696	2.5
156.04773	0.7
161.07063	0.7
162.05481	1.3
163.03923	0.8
167.10641	6.9
171.10132	100.0
185.11714	7.3
187.47638	0.5
203.12750	48.9
220.06447	1.3
221.06026	0.8
277.05328	0.7
287.59409	0.7
295.06030	0.7
323.05341	1.4
514.15863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73162	4.9
55.05491	40.3
57.07062	90.9
57.81122	5.4
59.04988	10.8
67.05479	30.1
69.07055	100.0
70.06561	8.5
71.08606	55.2
79.05466	7.5
81.07032	69.7
83.08604	60.8
85.10141	25.6
87.04451	34.9
92.08655	5.6
93.07016	43.5
95.08581	92.5
97.06477	11.1
97.10139	38.9
99.28348	6.6
102.09196	11.1
105.50821	5.7
107.08582	50.8
109.10155	45.5
111.08028	7.4
111.11667	13.5
121.10135	57.2
123.11668	13.7
125.05978	12.8
125.09605	10.2
135.11626	10.4
139.03873	13.0
149.13240	11.7
153.05417	11.9
155.06998	67.8
163.14748	7.7
177.16342	8.8
181.31711	6.2
191.17879	9.6
256.26410	12.4
257.26660	10.6
283.26196	24.9
284.26596	26.9
317.31921	53.9
335.32941	35.3
353.34189	13.5
419.35168	59.9
513.50269	34.8
514.51050	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	514.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09213	0.7
53.03923	1.3
55.01864	1.1
55.05499	6.3
57.03432	11.1
59.04992	1.7
61.02900	1.0
62.06052	0.8
65.03922	1.6
67.05488	8.1
69.03065	1.5
69.03416	32.7
69.07056	7.3
70.06571	2.0
70.21320	0.8
71.01320	1.5
71.04982	14.1
72.08136	0.8
72.15366	0.7
73.02916	1.5
74.06421	0.8
75.04456	1.7
77.00133	0.8
79.05480	10.7
79.21337	0.8
81.03396	13.8
81.07037	11.9
83.04951	5.9
83.08591	2.0
85.02893	25.7
85.06529	3.5
87.04452	18.6
91.05453	9.1
92.08589	1.4
93.07021	17.8
95.04958	10.2
95.08581	21.0
97.02872	25.3
97.06509	16.8
99.04424	3.6
99.08062	1.6
101.05976	3.4
105.07000	1.8
107.04963	1.7
107.08575	25.3
109.02863	9.6
109.06520	3.8
109.10135	7.9
111.04407	4.0
111.08057	3.6
113.09600	4.2
115.03922	15.5
119.04907	12.1
119.08565	1.5
121.02842	100.0
121.10125	33.6
123.08015	2.1
123.11688	1.7
125.05984	4.6
125.09621	8.5
127.03863	6.0
127.07546	9.4
131.08530	1.1
132.25520	0.9
133.04958	6.0
135.08034	17.9
137.05957	42.4
137.09616	4.9
139.03886	16.2
139.11160	26.6
145.04988	1.6
145.06403	1.0
147.04405	23.3
147.09064	1.0
149.06049	1.3
149.09526	6.1
151.03893	6.6
151.07529	1.2
153.09048	6.0
155.10612	6.0
157.12216	18.6
159.09160	1.6
162.06805	1.0
163.03856	1.4
163.07501	4.5
167.10608	10.9
173.11861	1.2
174.37538	0.9
175.03853	0.9
177.05357	1.1
179.06978	11.5
181.08508	1.3
185.11708	38.9
197.08066	4.0
199.09564	3.4
203.12761	44.4
209.11646	1.1
251.12831	1.0
259.33383	0.9
265.07025	8.7
283.08008	10.3
295.05859	1.2
297.98932	0.9
299.14813	1.3
323.62802	1.1
325.12708	4.3
345.33578	0.9
352.14676	1.7
447.40094	1.1
474.21979	0.9
514.15900	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01859	2.3
55.05501	2.9
55.53871	0.3
56.96527	0.2
57.03001	0.2
57.03431	5.5
57.07064	0.4
59.04978	1.2
61.02903	1.2
62.44366	0.3
65.03928	3.3
67.05187	0.4
67.05498	7.0
68.27219	0.2
69.03417	14.0
69.07046	3.7
70.03748	0.4
71.04982	3.2
73.02901	12.6
73.06520	0.4
75.04456	0.5
78.44791	0.3
79.05477	3.8
81.03400	6.9
81.06596	0.4
81.07042	8.2
82.04182	1.5
83.04964	5.0
83.08608	2.1
85.02892	15.7
85.06507	1.6
86.03191	0.6
87.04460	6.6
91.05459	2.3
93.03363	1.2
93.07024	7.2
94.04176	0.6
94.07398	0.3
95.04954	2.7
95.08583	12.0
97.02877	10.0
97.06509	3.4
97.10139	1.7
99.04418	1.9
99.08076	1.2
101.05975	1.4
105.07029	3.2
105.57423	0.3
106.07313	0.3
107.08582	7.5
107.11199	0.3
108.08881	0.3
109.02834	3.0
109.06483	0.3
109.09420	0.3
109.10144	9.3
110.03632	1.9
110.10460	1.2
111.04421	1.5
111.08028	1.9
111.11709	0.3
111.72636	0.2
115.03906	5.7
116.04314	0.3
117.06975	0.7
119.04927	0.4
119.08546	1.9
120.08898	0.3
121.02853	0.4
121.10129	3.9
122.03604	2.9
123.00750	0.3
123.04380	1.2
123.11673	4.7
125.05981	1.6
125.09598	0.5
127.03904	2.6
131.08553	1.4
133.04936	3.7
133.10091	1.9
135.08041	0.4
135.11687	0.5
137.05962	36.4
137.09598	7.5
138.03105	1.2
138.09918	0.4
139.11153	0.5
140.04671	6.8
142.02573	1.6
143.08534	1.2
145.02754	0.3
145.04950	1.3
145.10097	2.3
146.10442	0.4
147.07970	0.3
147.11671	2.8
148.12088	0.3
149.09715	0.3
149.13229	5.5
153.05426	1.7
155.07027	2.3
155.08594	0.3
155.10707	0.5
155.51614	0.3
157.10066	0.6
159.11665	1.7
161.13226	1.7
162.13551	0.5
165.09085	3.5
167.10660	0.4
167.14297	8.0
171.06500	6.4
171.11627	1.2
173.13165	0.6
175.14758	0.4
181.04929	100.0
182.05243	0.6
183.11566	0.3
183.17386	0.4
185.13426	0.8
185.15332	15.9
199.05969	3.9
199.14775	0.6
200.56372	0.3
201.11208	1.2
202.11658	0.3
203.16394	18.8
203.18301	0.7
213.16508	0.5
220.63564	0.3
269.22607	1.5
270.22925	1.2
279.21161	0.6
287.23752	0.4
297.22134	2.7
298.22464	1.6
309.13239	1.1
315.23047	2.3
316.23474	1.6
317.15970	0.4
325.09229	3.1
327.14511	0.3
343.10184	4.5
477.28479	2.8
478.28616	2.7
490.27356	0.3
495.29306	1.6
496.29596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.4
55.01866	3.7
55.05487	9.4
57.03421	16.7
59.04946	2.7
61.02903	15.3
66.53246	1.5
67.05486	24.6
67.45032	1.4
69.03413	53.4
69.07043	6.8
70.03751	1.8
71.04976	14.5
73.02890	8.6
79.05468	17.3
80.77314	1.8
81.03397	17.0
81.07031	37.0
83.08595	9.5
85.02885	94.7
85.06522	7.7
86.03237	2.2
87.04445	17.7
91.03943	2.5
91.05445	25.6
92.09369	2.0
93.07018	32.1
95.04956	4.1
95.08582	40.4
97.02862	40.9
97.06525	6.8
97.10155	2.5
98.03178	3.6
99.04416	6.5
99.08067	3.4
105.07006	45.5
107.08572	41.6
109.02855	11.9
109.06535	6.0
109.10129	47.8
110.10470	6.3
111.04440	2.1
111.08086	2.4
115.03893	13.3
117.06953	11.2
119.08558	32.0
120.97453	1.6
121.06449	2.1
121.10114	20.8
123.08067	2.1
123.11669	13.4
125.09630	3.1
127.03912	16.2
129.06946	3.1
131.08554	20.6
133.04961	6.6
133.10092	29.7
135.08032	8.4
135.11644	12.4
137.05962	11.9
137.09596	26.6
137.13220	3.4
138.09918	10.4
143.08542	13.5
145.04930	11.2
145.10078	29.8
147.04381	3.1
147.07994	2.5
147.11658	44.7
149.09593	3.4
149.13216	7.3
151.11128	2.1
155.08557	3.4
155.10602	4.0
157.10120	15.4
159.11644	26.1
161.13211	34.8
165.09047	9.4
165.12704	7.1
166.09454	3.8
169.10089	3.8
171.11659	21.2
173.13176	14.1
175.11223	2.9
175.14778	10.5
177.05411	2.4
181.04933	33.2
181.10124	2.2
183.10213	1.9
183.11638	9.2
183.13791	8.3
183.17464	7.7
184.14154	2.7
185.13182	16.2
186.87657	1.6
187.11127	1.8
187.14793	6.5
189.12733	8.2
195.11647	4.0
197.13261	6.8
199.14833	16.2
201.11218	16.4
201.12790	1.9
201.14786	3.9
201.18347	2.1
202.11534	9.3
202.15147	2.0
203.14297	7.3
209.13121	3.1
211.14790	2.3
213.16341	9.6
223.14778	3.9
225.16322	2.0
227.17918	2.6
228.55197	2.0
237.16423	2.6
239.17848	3.4
241.19449	1.7
253.19514	1.9
255.20978	2.9
269.22549	51.1
279.21005	15.4
287.23636	8.2
297.22040	53.9
315.23071	40.0
333.24112	11.0
473.31934	1.8
477.28360	100.0
483.33505	1.9
495.29428	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
51.88082	0.9
55.05504	13.4
57.03404	4.9
59.04977	6.4
67.05493	9.2
69.03402	6.3
69.07052	2.6
70.09066	1.1
71.04962	6.3
71.66565	1.0
79.05460	7.2
81.07038	14.5
82.54952	1.2
83.04964	9.0
83.08587	4.3
85.02366	1.2
85.02882	42.2
85.06525	38.3
87.04445	71.8
91.05452	14.8
92.09304	1.3
93.07014	23.0
95.08563	13.8
97.02838	2.0
97.06487	2.6
99.04424	8.0
105.07006	21.5
107.08575	19.3
109.06484	1.5
109.10137	7.8
111.04414	6.1
111.08057	2.2
115.07555	2.1
117.06984	18.3
119.08555	17.0
121.10113	17.7
123.08037	1.3
123.11678	1.3
127.03895	1.2
129.05441	7.3
129.06940	1.7
130.07732	1.3
131.08517	16.5
133.10104	21.0
135.11693	12.6
141.06946	1.2
143.07028	5.3
143.08517	8.8
144.09302	2.2
145.10095	80.2
147.11665	20.7
149.13228	4.6
151.11165	5.4
155.08467	1.6
157.10068	14.5
159.11661	40.2
161.09636	1.8
161.13225	8.2
163.11136	78.8
165.09068	1.9
169.10088	2.0
171.11661	9.1
173.13225	10.0
175.14853	1.6
176.41716	1.2
177.12775	1.2
179.10596	1.5
181.09981	1.7
183.11589	5.3
185.13223	7.5
187.14764	1.5
189.09027	2.6
191.10603	6.0
197.13252	9.4
199.11209	2.0
199.14766	2.1
201.16295	5.9
211.14755	4.8
213.16370	8.0
215.17914	6.4
217.12086	2.0
225.16223	4.0
227.17885	1.5
237.16472	1.7
243.13733	1.6
251.17772	1.2
253.19461	44.4
255.20934	1.4
257.15320	1.2
263.17896	2.6
271.20532	20.2
281.18964	15.6
297.22025	5.2
299.19986	100.0
315.22900	2.0
317.21030	79.8
333.24094	5.6
335.22104	34.2
350.23828	2.6
351.24307	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05503	8.1
57.03421	5.9
59.04991	8.1
66.04523	0.8
67.05482	10.1
69.03413	3.9
69.07049	4.1
71.04959	6.1
73.02902	1.1
79.05476	11.2
81.07037	20.4
83.04966	10.5
83.08592	3.7
85.02892	48.2
85.06527	42.5
87.04452	74.7
91.05453	15.1
93.07022	22.5
93.59811	0.9
95.08581	13.4
97.02846	1.1
97.06516	3.8
97.10164	1.3
99.04443	7.3
105.07003	27.9
107.08582	25.3
109.10142	11.5
111.04447	6.9
111.08086	2.3
113.05973	0.9
115.05425	1.4
115.07541	6.2
117.07001	16.6
119.08569	21.9
121.10118	20.4
123.11694	1.2
125.09641	1.6
129.05450	4.2
129.06955	4.6
131.08537	17.0
133.10095	24.1
133.53253	1.0
135.11664	16.5
141.06918	1.1
143.07031	8.1
143.08530	10.4
145.10103	88.6
147.11676	22.2
149.13264	2.1
151.07487	1.0
151.11140	9.0
155.08640	1.2
157.10088	13.2
159.08141	1.1
159.11658	40.4
161.09578	4.2
161.13228	10.2
163.11151	77.4
165.09070	4.0
169.10120	4.1
171.11638	11.2
173.09557	1.2
173.13248	13.0
175.07483	1.1
175.14832	1.7
177.12656	1.9
182.11011	0.9
183.11684	6.9
183.17406	1.5
185.13216	6.2
187.11266	1.4
189.09206	1.3
191.10620	6.0
197.13200	10.3
199.11217	1.5
199.14786	2.2
201.12764	1.3
201.16353	6.6
203.10612	2.0
205.12192	1.7
211.14819	6.8
213.16338	7.8
215.17926	7.9
217.12180	2.3
221.13220	1.5
225.16350	5.2
229.15935	1.0
243.13692	2.2
253.19463	45.3
255.20981	2.1
257.15359	2.1
263.17868	4.8
271.20486	21.7
279.20972	3.7
281.18958	15.7
289.21454	1.3
297.22073	10.4
299.19995	100.0
315.23096	7.4
317.21048	80.9
318.21368	1.2
333.24326	7.3
335.22095	37.1
350.23758	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3057
Annotation	Integristerone B
Peak:m/z	Relative Intensity
53.03926	6.4
55.01866	3.7
55.05487	9.4
57.03421	16.7
59.04946	2.7
61.02903	15.3
66.53246	1.5
67.05486	24.6
67.45032	1.4
69.03413	53.4
69.07043	6.8
70.03751	1.8
71.04976	14.5
73.02890	8.6
79.05468	17.3
80.77314	1.8
81.03397	17.0
81.07031	37.0
83.08595	9.5
85.02885	94.7
85.06522	7.7
86.03237	2.2
87.04445	17.7
91.03943	2.5
91.05445	25.6
92.09369	2.0
93.07018	32.1
95.04956	4.1
95.08582	40.4
97.02862	40.9
97.06525	6.8
97.10155	2.5
98.03178	3.6
99.04416	6.5
99.08067	3.4
105.07006	45.5
107.08572	41.6
109.02855	11.9
109.06535	6.0
109.10129	47.8
110.10470	6.3
111.04440	2.1
111.08086	2.4
115.03893	13.3
117.06953	11.2
119.08558	32.0
120.97453	1.6
121.06449	2.1
121.10114	20.8
123.08067	2.1
123.11669	13.4
125.09630	3.1
127.03912	16.2
129.06946	3.1
131.08554	20.6
133.04961	6.6
133.10092	29.7
135.08032	8.4
135.11644	12.4
137.05962	11.9
137.09596	26.6
137.13220	3.4
138.09918	10.4
143.08542	13.5
145.04930	11.2
145.10078	29.8
147.04381	3.1
147.07994	2.5
147.11658	44.7
149.09593	3.4
149.13216	7.3
151.11128	2.1
155.08557	3.4
155.10602	4.0
157.10120	15.4
159.11644	26.1
161.13211	34.8
165.09047	9.4
165.12704	7.1
166.09454	3.8
169.10089	3.8
171.11659	21.2
173.13176	14.1
175.11223	2.9
175.14778	10.5
177.05411	2.4
181.04933	33.2
181.10124	2.2
183.10213	1.9
183.11638	9.2
183.13791	8.3
183.17464	7.7
184.14154	2.7
185.13182	16.2
186.87657	1.6
187.11127	1.8
187.14793	6.5
189.12733	8.2
195.11647	4.0
197.13261	6.8
199.14833	16.2
201.11218	16.4
201.12790	1.9
201.14786	3.9
201.18347	2.1
202.11534	9.3
202.15147	2.0
203.14297	7.3
209.13121	3.1
211.14790	2.3
213.16341	9.6
223.14778	3.9
225.16322	2.0
227.17918	2.6
228.55197	2.0
237.16423	2.6
239.17848	3.4
241.19449	1.7
253.19514	1.9
255.20978	2.9
269.22549	51.1
279.21005	15.4
287.23636	8.2
297.22040	53.9
315.23071	40.0
333.24112	11.0
473.31934	1.8
477.28360	100.0
483.33505	1.9
495.29428	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03920	0.8
55.05503	1.5
56.51689	0.6
56.86465	0.6
56.95846	0.8
57.03429	1.0
59.04979	1.6
61.82659	0.6
62.37757	0.6
64.33158	0.9
67.05479	6.7
68.55122	0.6
69.03410	1.3
69.07045	1.5
70.30780	0.6
70.70435	0.7
79.05459	12.1
81.07029	13.7
83.08589	1.9
85.02887	11.8
85.06522	1.3
91.05449	10.9
93.07021	15.7
95.04958	1.7
95.08577	14.3
97.02843	3.1
97.06490	1.5
105.07001	19.7
107.08570	30.2
109.02858	0.7
109.06524	0.9
109.10140	9.0
117.06982	4.1
119.08551	17.5
121.10104	10.0
123.08024	1.3
123.11682	1.0
129.06982	5.4
131.08516	11.7
133.10097	13.5
135.07996	4.8
135.11662	8.6
137.09604	3.2
142.07788	0.9
143.08534	11.6
145.10101	28.9
145.95355	0.8
147.08040	1.1
147.11659	25.2
149.13190	3.7
151.11159	3.2
155.08530	1.7
156.09325	1.5
157.10091	14.3
159.11653	24.7
161.09543	0.8
161.13205	14.7
163.11099	1.7
165.12772	3.1
169.10043	6.2
171.11658	16.4
173.13223	8.3
175.11108	1.8
175.14801	4.0
177.12735	1.7
181.10060	1.0
183.11610	8.8
185.13222	14.1
187.11121	3.7
187.14798	6.1
189.12717	6.6
191.14165	1.4
195.11601	1.5
197.13193	6.3
199.14821	4.9
201.12697	1.6
201.16502	1.2
203.14272	7.7
209.13229	3.0
211.14778	5.1
212.66270	0.8
213.16269	6.6
215.14240	0.9
221.15225	1.6
223.14711	3.8
237.16284	1.9
239.17865	11.0
241.15779	0.8
251.17723	1.4
253.19395	10.1
255.17386	1.1
255.21004	3.4
257.18979	10.3
267.21024	1.2
269.19458	0.8
269.22610	5.1
271.20462	8.4
273.22055	0.9
279.20963	15.6
285.22025	3.4
287.20142	1.8
287.23599	1.3
297.22086	30.6
315.23090	33.1
320.75034	0.8
333.24133	34.1
351.25201	100.0
366.64374	0.9
376.59625	0.9
527.46899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86951	1.7
51.89118	1.4
52.98237	1.8
53.00317	1.7
53.03936	4.0
54.08551	2.1
55.01859	2.3
55.05505	25.9
57.03426	15.4
57.07065	4.1
61.02914	22.3
67.05490	52.1
69.03416	4.9
69.07047	21.0
71.04974	4.3
71.11415	1.8
73.02896	4.7
75.04451	2.6
77.84335	1.7
79.05471	75.6
81.03417	4.7
81.07040	60.3
83.04952	2.0
83.08616	5.0
85.02897	13.9
85.06545	3.6
91.03931	3.9
91.05457	67.9
92.09278	4.0
93.07021	100.0
95.04950	13.1
95.08585	46.9
97.02867	11.3
97.06474	2.7
97.10123	3.0
99.08084	2.5
105.07008	82.9
107.08578	62.2
109.10136	17.1
115.04049	2.2
117.06995	17.5
119.08560	65.2
121.10127	39.2
123.11674	4.8
126.31139	1.9
129.06952	15.8
131.08559	34.0
133.10094	43.3
135.08107	2.0
135.11668	39.1
136.90166	1.8
143.08519	15.7
145.10118	23.4
147.11667	39.4
149.09612	3.7
149.13245	17.7
157.10146	13.6
159.11649	20.0
161.13240	25.9
163.14784	3.3
171.11671	14.2
173.13231	14.0
175.11130	2.1
175.14769	18.2
183.11676	2.5
185.13213	12.0
187.14894	3.1
189.12761	2.9
199.14807	8.7
213.16364	2.6
217.19563	2.6
231.21071	3.9
237.02785	7.8
241.19405	26.7
241.21507	2.5
259.20496	65.3
277.21634	9.7
278.94064	2.4
333.24231	10.7
351.25211	90.2
441.26324	9.7
459.26508	2.2
495.29175	4.8
500.06403	2.5
513.35889	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84218	2.4
53.03929	2.2
55.01863	3.2
55.05500	28.1
55.63455	2.6
57.03418	14.2
57.07043	2.9
59.04984	3.1
60.14618	2.2
61.02913	26.0
67.05487	47.9
69.03409	10.4
69.07053	17.3
72.57337	4.7
73.02888	5.5
79.05471	73.1
81.07040	59.9
83.04951	3.0
83.08586	4.5
85.02884	14.2
85.06515	2.6
91.03938	3.7
91.05452	78.8
93.07020	100.0
95.04952	5.4
95.08577	42.9
97.02873	13.1
97.06502	3.2
100.11240	13.5
105.07005	67.3
107.08568	61.1
109.10159	15.2
112.11260	3.0
117.06986	19.1
119.08547	70.0
121.10114	35.1
121.30196	2.8
125.55513	2.9
129.06969	18.1
131.08519	32.1
133.10094	49.5
135.11646	34.7
143.08527	15.0
144.13815	3.8
145.10080	27.0
147.11658	39.2
149.13235	21.3
157.10121	12.3
159.11641	25.3
161.13210	28.8
163.14769	5.7
169.10092	4.0
171.11676	13.5
173.13197	11.4
175.14818	15.3
185.13203	12.9
199.14799	4.6
237.02864	3.7
241.19540	23.9
259.20502	58.2
277.21585	6.6
287.73172	3.0
333.24261	6.6
351.25168	74.7
495.29297	4.7
513.29858	4.7
513.35010	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	513.3062
Annotation	Integristerone B
Peak:m/z	Relative Intensity
50.95909	0.8
53.03930	5.4
55.01860	4.9
55.05497	6.9
57.03416	13.3
57.21870	0.9
57.59697	0.8
59.04976	4.1
61.02914	15.7
65.03925	1.0
66.07321	0.8
67.05493	14.0
69.03415	44.9
69.07038	5.6
71.01360	1.1
71.04974	5.0
73.02906	7.0
76.30122	1.0
79.05477	22.1
81.03402	17.6
81.06577	1.9
81.07035	25.9
81.17515	1.0
83.08601	2.3
85.02889	100.0
85.06519	1.4
87.04439	8.6
87.96507	1.0
91.03944	5.3
91.05455	27.9
92.08978	7.3
93.07024	32.6
95.04938	1.9
95.08587	26.1
97.02875	41.8
97.06498	2.0
97.10126	1.1
99.04432	8.2
105.07010	47.0
107.04916	1.1
107.08583	43.8
109.02855	11.5
109.06497	4.8
109.10147	18.4
111.08064	1.1
113.05989	1.1
115.03954	2.1
115.05454	1.2
117.06992	13.8
119.08556	32.8
121.10110	15.3
123.08027	1.7
123.11688	5.5
127.03902	27.6
128.06172	1.9
129.06992	10.3
130.07794	1.7
131.08534	26.0
133.10107	26.8
135.08055	8.4
135.11685	12.9
141.06966	4.7
142.07770	4.8
143.08531	22.7
145.02791	1.3
145.04927	9.7
145.10107	48.4
147.08022	1.2
147.11671	37.9
149.09584	2.0
149.13219	7.5
151.11191	2.5
155.08554	7.1
156.09322	4.0
157.10094	24.0
159.08052	1.9
159.11671	30.2
161.09598	2.1
161.13191	15.0
163.11177	2.3
165.12727	2.1
167.08601	1.3
168.09320	1.6
169.10120	15.5
171.11656	23.2
173.13200	13.9
175.11169	4.3
175.14775	5.9
177.12761	2.4
181.10071	1.6
183.11636	11.8
183.13608	0.9
185.13229	18.4
187.11160	6.0
187.14790	7.5
189.12721	7.9
195.11661	4.4
197.13217	11.9
199.14783	10.6
201.12764	3.8
201.16360	1.3
203.14262	10.4
209.13242	4.8
211.14774	7.3
213.16351	4.7
215.14246	1.9
223.14825	4.9
225.16328	2.5
227.14346	1.4
227.17986	1.6
237.16252	5.2
239.17924	23.4
251.17911	1.3
253.19453	16.3
255.21011	5.8
257.18994	1.6
267.20950	2.3
269.19205	1.5
269.22565	6.4
271.20493	1.3
279.21005	25.7
285.22037	1.8
297.22079	62.0
315.23138	30.7
333.24289	7.8
459.27106	2.5
477.28403	32.6
495.29407	82.5
513.30536	41.6
515.09686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84218	2.4
53.03929	2.2
55.01863	3.2
55.05500	28.1
55.63455	2.6
57.03418	14.2
57.07043	2.9
59.04984	3.1
60.14618	2.2
61.02913	26.0
67.05487	47.9
69.03409	10.4
69.07053	17.3
72.57337	4.7
73.02888	5.5
79.05471	73.1
81.07040	59.9
83.04951	3.0
83.08586	4.5
85.02884	14.2
85.06515	2.6
91.03938	3.7
91.05452	78.8
93.07020	100.0
95.04952	5.4
95.08577	42.9
97.02873	13.1
97.06502	3.2
100.11240	13.5
105.07005	67.3
107.08568	61.1
109.10159	15.2
112.11260	3.0
117.06986	19.1
119.08547	70.0
121.10114	35.1
121.30196	2.8
125.55513	2.9
129.06969	18.1
131.08519	32.1
133.10094	49.5
135.11646	34.7
143.08527	15.0
144.13815	3.8
145.10080	27.0
147.11658	39.2
149.13235	21.3
157.10121	12.3
159.11641	25.3
161.13210	28.8
163.14769	5.7
169.10092	4.0
171.11676	13.5
173.13197	11.4
175.14818	15.3
185.13203	12.9
199.14799	4.6
237.02864	3.7
241.19540	23.9
259.20502	58.2
277.21585	6.6
287.73172	3.0
333.24261	6.6
351.25168	74.7
495.29297	4.7
513.29858	4.7
513.35010	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	513.2843
Annotation	Kadcoccilactone D
Peak:m/z	Relative Intensity
55.01849	0.7
55.05502	0.7
57.03423	3.8
57.07067	9.1
59.04990	9.8
60.01271	0.5
65.03916	2.5
65.50645	0.4
67.05490	34.1
69.03413	17.7
69.07048	1.0
71.04974	32.7
73.06537	2.1
77.90430	0.4
79.05466	3.1
81.07038	3.5
83.04957	2.1
83.08606	0.5
85.06526	39.8
86.18285	0.5
87.04431	3.5
91.05464	3.6
93.07021	4.0
95.04942	29.1
95.08572	3.0
100.45455	0.5
101.05989	0.7
105.06997	4.5
107.04932	0.5
107.08575	2.8
109.10120	1.9
113.05986	100.0
117.06976	2.5
119.08555	2.7
121.10141	0.8
121.42932	0.5
123.08009	0.5
128.06232	0.6
129.06989	2.6
130.01099	0.5
131.08548	2.6
133.10114	1.7
135.11697	0.6
140.96623	0.5
141.06978	0.8
142.07791	0.6
143.08575	3.6
145.08577	16.0
145.09982	1.3
147.11688	1.9
153.07013	0.8
153.93381	0.4
154.07730	0.5
155.08548	2.3
157.10065	2.6
159.11693	1.9
161.13254	1.1
165.07001	0.9
167.08585	2.6
168.09282	0.8
169.10075	4.1
171.11714	0.7
179.08511	1.6
180.09375	0.7
181.10085	3.1
183.08022	1.0
183.10078	0.5
183.11636	3.8
192.09349	0.6
193.10103	1.9
195.07996	1.0
195.11621	3.6
197.09615	1.9
197.13286	0.7
205.10156	1.8
207.11636	2.3
209.09599	2.0
209.13300	0.7
211.11273	1.6
211.14951	0.7
219.11685	0.9
220.12434	0.6
221.13225	2.6
223.11121	1.1
225.08978	3.8
227.10559	0.9
231.11850	0.7
233.13188	0.9
235.11177	0.7
235.14767	0.8
237.16293	0.9
239.10472	1.6
251.10654	2.2
253.11909	0.6
253.19406	1.0
261.16370	0.6
263.10513	0.7
265.11987	0.5
269.11816	1.8
277.12195	0.6
277.19427	1.9
279.13840	0.6
287.17862	2.1
291.13806	0.8
305.18890	5.6
307.16953	0.5
315.17581	1.0
323.20056	2.0
326.32407	0.4
333.18423	9.6
351.19449	20.1
369.20517	31.0
513.31372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57980	3.3
50.69391	3.1
55.05495	18.2
57.03404	4.4
57.07059	8.1
67.05492	42.1
69.07057	32.0
74.20100	3.8
79.05473	19.1
79.47272	3.9
81.03394	5.3
81.07042	45.0
83.04948	6.3
83.08588	18.0
91.05442	24.0
92.08625	5.4
92.09116	10.9
92.63870	4.2
93.07023	53.7
95.04934	5.8
95.08585	100.0
97.06521	7.2
97.10121	5.0
105.07007	36.2
107.08582	73.8
109.06493	5.0
109.10152	54.9
111.08060	17.1
119.08578	43.6
121.10121	69.2
123.08057	6.2
123.11682	28.6
129.06987	5.0
131.08516	7.6
133.10104	41.3
135.08060	5.7
135.11684	50.3
137.09630	4.7
137.13269	6.7
138.46596	5.2
139.07477	33.4
143.08545	6.3
145.10110	23.9
147.11635	29.1
149.09644	9.2
149.13231	37.6
149.70648	4.0
157.08603	6.9
157.10104	20.6
159.11667	19.1
161.13257	10.2
163.11125	4.1
163.14769	17.8
167.10657	16.2
171.11613	5.0
173.13278	15.2
175.14809	9.6
185.13165	4.4
187.14713	8.9
189.12698	6.3
189.16351	8.5
191.14293	6.6
193.12257	5.6
195.13737	6.1
201.16513	6.2
203.17900	6.2
213.14696	8.0
218.90675	4.5
236.18156	5.0
263.20071	42.1
267.15845	5.8
281.21127	10.6
283.26428	5.3
285.53552	4.3
395.33127	4.4
413.34119	8.0
423.32471	30.5
441.33536	83.6
459.34534	91.6
471.30783	8.3
477.28473	5.3
477.35626	8.0
511.32520	21.5
512.32422	46.3
512.50079	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	513.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95684	0.3
53.03947	0.4
55.05505	0.9
57.03435	0.6
59.79507	0.3
67.05485	1.9
69.03416	3.5
69.07053	1.9
71.04963	0.8
75.19210	0.4
77.53615	0.4
79.05487	0.4
81.03378	0.7
81.07026	3.2
83.04990	0.5
83.08604	0.5
85.02876	3.3
85.06538	0.6
87.04425	0.5
91.05458	0.4
93.07038	0.9
95.04945	1.9
95.08590	3.6
97.02867	2.0
97.06538	0.6
105.03374	0.8
105.06976	1.3
107.05008	0.5
107.08602	0.9
109.02888	0.5
109.10158	1.7
111.08136	0.4
111.11744	0.6
115.03922	0.4
117.03360	1.5
119.08524	0.6
121.10119	0.7
123.04397	0.6
123.11682	0.8
131.08569	0.7
133.02832	0.6
135.11607	0.6
137.05916	0.4
139.11093	0.5
143.08554	0.5
145.02838	5.0
145.10060	0.4
147.11670	0.8
149.02309	0.4
149.05991	0.7
157.10149	0.5
159.11623	0.7
163.03889	2.6
165.12784	0.7
167.06960	0.6
177.05417	6.1
183.13779	1.5
185.04166	0.4
185.13290	0.5
189.12529	0.4
201.14806	0.7
201.16524	0.6
201.18411	0.6
229.11983	4.8
241.02248	0.5
289.12305	1.7
297.22226	0.5
305.11795	13.9
307.04431	0.8
313.96472	0.5
351.12296	52.7
352.12527	0.5
429.48959	0.5
510.09155	0.4
513.17590	100.0
514.18005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.4
53.37616	0.4
53.53732	0.4
55.01845	0.4
55.05495	0.7
56.34025	0.4
57.03414	2.6
57.07073	7.0
59.04991	15.4
60.17136	0.5
65.03929	0.4
67.05491	27.4
69.03421	9.7
69.07051	0.7
70.06124	0.4
71.04976	19.5
73.06527	0.6
75.04453	0.5
78.26627	0.5
79.05473	2.3
81.07040	4.2
83.04960	2.8
83.08618	0.4
85.06526	27.9
87.04449	8.7
91.05464	2.6
92.08672	0.8
93.07020	4.3
95.04945	34.0
95.08581	3.7
99.89828	0.4
101.06001	3.2
105.07015	4.7
107.08576	4.8
109.10143	1.0
109.66833	0.4
111.78331	0.5
113.05987	100.0
119.08529	3.7
121.10122	3.5
127.07536	0.9
129.06981	0.7
131.08551	2.5
133.10063	3.6
135.08076	0.6
135.11670	4.1
143.08528	2.0
145.08574	36.0
145.10069	3.3
147.11591	3.9
149.13254	1.1
155.08527	1.0
157.10106	2.0
159.11687	5.2
161.13222	5.1
162.11218	0.6
164.45140	0.4
169.10164	1.1
171.11661	2.8
173.13208	1.0
173.71779	0.5
175.14807	1.0
183.11679	2.1
185.13135	3.4
187.11197	0.9
187.14828	2.1
189.12743	0.5
195.11694	0.6
197.13286	2.1
199.14819	1.0
209.13319	0.7
211.14742	0.6
215.18004	1.1
223.14815	3.1
225.16377	0.9
227.17975	0.9
229.19493	0.5
237.16451	0.7
239.17816	3.2
241.19495	1.8
251.17845	0.9
253.19482	1.0
255.21181	2.0
257.18854	3.6
269.19073	0.8
269.22678	2.2
279.20984	14.0
287.20151	0.8
297.22055	17.2
315.23117	31.7
332.38580	0.5
333.24142	16.7
365.26486	0.5
431.83701	0.5
473.89706	0.6
495.16153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.8
53.00296	1.3
53.03937	1.6
55.01865	2.3
55.05501	2.7
57.03429	20.6
59.04984	4.5
60.04514	1.9
61.02933	3.5
67.05489	18.8
69.03414	63.6
69.07053	6.3
71.04975	5.8
73.02904	2.1
75.04482	2.5
79.05466	2.4
81.03388	2.6
81.07030	31.0
83.04935	2.3
83.08591	2.4
83.20047	1.0
85.02888	44.1
85.06522	12.0
87.04448	27.3
91.05452	9.3
93.07018	9.7
95.04967	5.5
95.08575	20.8
97.02871	46.2
97.06504	7.6
99.04432	4.7
99.08089	5.2
100.11292	1.6
105.07032	11.9
107.08591	16.0
109.02856	6.5
109.06490	6.0
109.10138	61.1
111.08079	2.3
113.05999	5.8
115.03903	34.7
119.08561	10.1
121.10135	12.0
123.08049	1.5
123.11681	20.5
125.05946	7.5
125.09589	2.2
127.03895	7.3
127.07542	9.3
131.08516	2.0
133.04941	24.0
133.10112	1.4
135.11711	1.6
137.05988	1.2
137.09590	100.0
137.13188	1.9
138.05220	1.1
143.08563	1.7
145.02815	4.2
145.04959	5.0
145.10091	4.2
146.03070	1.2
147.08130	1.2
147.11659	17.2
150.07539	1.2
155.03351	1.3
155.08598	1.5
155.10629	29.6
157.10117	1.3
159.11617	1.5
162.05508	4.8
165.09068	54.1
165.12689	18.1
167.07056	1.7
169.10059	1.8
170.05696	5.0
171.11629	1.3
173.13255	1.3
177.05487	4.8
181.04930	1.9
181.12119	1.4
181.67465	1.0
183.10162	17.8
183.11639	1.9
183.11948	2.0
183.13753	32.6
185.13263	1.2
188.03806	1.4
190.04915	2.4
191.06943	1.5
195.11784	1.4
201.11183	75.1
201.14793	20.8
219.12274	1.8
237.07587	5.3
246.32234	1.1
279.08344	1.4
295.20444	1.9
327.14197	1.1
332.22842	1.1
345.15524	2.2
349.23541	1.4
363.19894	1.3
377.01471	1.3
495.29321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.7
56.96325	2.1
56.96553	18.6
57.03432	22.9
59.47661	2.1
61.01130	1.8
63.80280	1.8
67.05493	3.6
69.03065	3.1
69.03423	62.6
69.07037	2.1
71.22476	1.9
73.02935	2.5
74.09693	4.1
75.04432	2.2
79.05486	9.6
81.03411	1.9
81.07046	14.8
83.04970	3.9
83.08599	8.3
85.02899	44.2
87.04462	26.5
91.05477	7.7
92.08669	2.1
92.64388	1.9
93.07042	4.7
95.04948	5.1
95.08582	8.3
97.02885	41.2
98.97572	9.5
99.04438	2.3
101.58685	2.0
105.07022	45.8
107.04940	3.7
107.08579	12.6
109.06505	28.0
109.10155	3.4
115.03930	38.3
116.98634	2.2
117.03346	3.1
119.08567	20.9
121.10132	100.0
121.10975	4.3
123.08025	17.7
123.11691	11.9
124.03998	3.1
127.03902	3.0
127.07529	38.1
133.04962	23.4
133.06497	17.1
133.07381	2.1
134.94380	2.2
135.04424	10.4
135.11694	2.6
137.09645	3.8
141.02257	2.4
143.00154	3.8
145.02861	4.2
145.04997	3.9
147.08101	3.3
147.11684	52.6
149.05962	2.6
159.03261	8.2
161.01207	4.8
161.05963	12.7
163.03856	21.8
165.09093	8.6
165.12726	38.4
177.05444	2.9
181.04936	12.5
181.34776	2.0
183.10231	17.0
183.13786	76.8
183.15303	4.0
183.52971	2.1
185.01253	3.4
187.02771	3.6
188.03766	2.6
193.01770	2.3
193.08572	9.3
201.11232	11.1
209.01212	2.5
211.02760	4.9
213.00758	4.1
219.38057	2.2
221.03372	3.5
227.02251	1.9
231.01707	4.7
237.00607	2.8
249.02824	4.1
255.01732	24.9
273.02847	31.0
337.11533	2.4
341.50421	2.1
369.86755	2.2
411.06003	3.7
429.06927	5.0
453.06989	4.4
457.50443	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	511.303
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
52.45074	0.8
53.00281	1.1
53.03946	1.4
54.81982	0.7
55.05237	1.2
55.05503	29.1
57.03435	10.4
57.07069	15.8
63.18572	0.8
67.05499	18.1
67.58419	0.9
69.04498	1.2
69.07051	35.6
70.79790	0.8
71.01054	1.0
71.08604	7.2
71.17868	1.0
79.05466	9.0
81.07039	18.8
82.79546	0.9
83.08603	23.0
85.10172	1.5
91.05461	1.6
92.08702	2.2
92.40194	1.2
93.07027	11.4
95.08585	23.0
97.06471	1.4
97.10146	10.2
98.98444	35.3
105.07103	1.0
107.08608	7.1
109.10145	7.7
111.08088	1.1
111.11734	1.3
119.04830	0.9
121.10114	9.6
123.11689	2.1
135.11676	6.3
147.04422	4.4
149.13258	1.7
155.01018	12.7
162.85329	1.3
173.02110	2.2
265.25235	1.7
309.30826	1.1
313.27103	1.8
314.27667	1.4
318.22247	1.2
339.28873	100.0
475.28018	9.3
511.33771	3.9
526.00946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86285	1.9
57.07073	2.3
89.06007	2.4
95.10985	2.0
144.75760	2.3
149.12947	2.1
157.23566	2.0
178.71075	1.9
182.98166	2.1
283.17316	2.8
511.35986	100.0
511.47693	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	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01865	3.8
55.05502	4.2
57.03434	6.5
57.07066	0.8
61.02911	6.0
63.29344	0.6
65.90657	0.6
67.05491	9.4
69.03414	15.4
69.07057	9.1
70.06573	1.7
71.04975	7.5
73.02895	1.4
79.05490	7.8
81.03398	7.8
81.07036	20.8
83.04947	1.6
83.08611	1.4
85.02892	31.2
85.06529	100.0
85.83215	0.7
87.04463	3.3
91.05460	7.9
93.07024	11.7
95.04926	4.7
95.08592	11.6
97.02878	13.3
97.06506	4.6
99.04452	1.4
99.08073	2.7
105.07016	13.8
106.72285	0.6
107.04960	0.7
107.08578	14.0
107.20979	0.6
109.02869	6.7
109.06493	3.6
109.10133	9.7
111.08070	1.7
113.05212	1.4
113.05993	37.0
114.37289	0.7
115.03909	2.7
115.07515	1.3
117.06984	4.8
119.04950	0.7
119.08580	9.1
121.06490	1.3
121.10162	6.3
123.08042	1.6
123.11655	2.5
127.03934	5.0
129.06955	3.6
129.09204	0.6
131.07008	3.3
131.08543	10.4
132.77640	0.8
133.05029	0.7
133.06418	0.8
133.10109	6.2
135.08011	1.2
135.11684	2.9
137.05937	1.2
137.09604	17.7
141.06990	1.5
142.07771	1.5
143.08557	8.7
145.02888	0.9
145.04930	0.8
145.10115	20.8
147.08031	1.2
147.11652	4.2
149.09619	1.1
151.03882	1.1
151.11154	1.0
155.08539	5.7
157.10120	13.9
159.11679	13.0
161.09622	1.2
161.13191	1.5
163.11105	0.9
163.14830	3.0
165.06990	0.9
165.09091	7.4
165.12761	0.9
167.07117	1.2
167.08537	1.3
169.10062	7.9
171.11674	6.5
173.09569	1.1
173.13197	5.7
175.11177	1.1
177.05499	1.6
179.08647	1.0
180.06523	2.9
181.10074	4.0
181.12218	0.9
181.15907	1.2
182.10851	1.4
182.12387	0.8
183.11705	7.2
185.13199	7.0
187.11140	1.3
194.10942	0.8
195.11574	6.2
196.12357	1.2
197.13216	9.1
199.11180	0.8
199.13182	0.9
199.14841	5.3
199.16840	1.7
201.12848	0.8
201.14738	0.9
201.16394	10.6
207.11687	1.7
209.13203	5.0
211.14766	5.5
213.12729	1.1
213.16319	7.3
215.14267	3.4
221.13264	1.2
223.14738	3.4
225.16452	1.3
227.14163	1.6
227.18048	0.8
229.15872	1.2
235.14786	1.0
237.16269	5.4
241.15819	1.0
243.17477	1.0
247.16998	0.9
251.18097	1.0
253.19470	8.5
255.17522	5.9
267.21063	1.0
269.19061	2.7
271.20422	1.6
277.19470	4.4
295.20480	12.9
309.13260	2.8
313.21503	15.6
323.35367	0.7
331.22601	18.7
349.23672	28.0
475.27057	1.7
493.27780	4.8
511.17285	1.1
511.28601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54314	0.7
53.03930	2.2
53.37098	0.9
55.01848	1.8
55.05497	6.5
57.03422	5.4
58.99548	0.9
61.02908	10.1
67.05491	15.8
69.03410	22.6
69.07062	5.0
70.03750	1.0
71.04963	9.3
73.02899	5.0
79.05467	15.2
81.03403	10.0
81.07036	31.2
83.04951	1.6
83.08619	4.0
85.02888	61.8
85.06516	9.6
86.99024	1.9
87.04445	4.9
91.05457	15.3
93.07024	31.8
95.04977	1.6
95.08578	24.3
97.02864	21.8
97.06513	2.3
99.04434	2.1
105.00063	2.5
105.07011	32.2
107.08575	30.1
109.02880	5.8
109.06509	6.1
109.10134	14.4
111.08067	2.3
111.39736	1.0
115.03934	1.6
117.06982	8.4
119.04946	2.4
119.08553	26.5
121.06506	4.1
121.10130	23.2
123.08012	2.5
123.11691	4.3
125.06091	1.1
127.03902	9.9
128.06195	1.3
129.06943	7.2
131.08533	19.4
133.06473	10.9
133.10100	21.3
135.08028	1.6
135.11674	13.4
137.05980	4.4
137.09653	1.9
141.07033	2.2
142.07750	7.1
143.08543	14.4
145.02849	1.9
145.04959	5.8
145.10085	23.3
147.04414	10.5
147.08011	1.6
147.11665	21.8
149.05936	1.1
149.09583	6.0
149.13226	10.2
151.07500	19.8
155.08545	12.6
157.10086	34.5
159.11664	23.3
161.09628	1.6
161.13223	19.3
163.11147	2.3
163.14789	4.3
165.09000	2.1
167.07071	2.1
167.08525	4.5
169.10063	9.6
171.11630	11.9
173.09613	1.3
173.13240	7.0
175.11150	23.0
175.14758	22.1
177.05473	4.1
177.09088	1.4
177.12770	1.8
178.05829	2.4
179.08492	1.1
181.10098	7.2
181.12256	1.1
182.10837	2.6
183.11658	11.9
185.09669	1.6
185.13168	7.7
187.11140	6.7
187.14809	4.2
189.06856	1.0
189.12712	1.9
191.10718	1.5
193.05092	1.3
193.10094	1.7
195.10106	8.4
195.11719	11.0
196.12421	1.8
197.13235	8.7
199.11252	1.5
199.14795	1.7
201.12766	2.2
201.16367	1.8
203.10713	2.4
203.14301	1.7
206.10898	1.9
207.11685	4.4
207.13760	1.2
208.12250	1.0
209.13272	5.7
210.13989	1.8
211.14751	10.7
213.12764	2.0
215.14278	1.4
217.12163	1.9
219.11716	1.6
221.13245	8.7
223.14883	1.8
225.12788	1.5
225.16394	9.9
227.17931	1.9
229.15663	1.5
231.13815	2.2
233.13283	1.7
235.14877	2.3
237.16261	8.4
239.14233	1.5
241.19429	1.2
243.17410	1.2
248.15572	2.1
251.17889	10.9
252.18716	2.3
253.15857	2.4
253.19463	12.2
255.21095	6.3
257.22604	2.2
267.21002	28.0
269.19104	4.2
269.22580	1.3
277.19415	14.3
280.18188	2.6
285.22061	18.9
287.19943	1.7
295.20490	98.7
303.22949	1.2
313.21545	100.0
331.22586	53.1
349.23593	6.7
427.67267	1.0
475.26926	6.5
493.27893	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.85860	0.7
55.01850	0.6
55.05491	3.3
57.03436	1.4
59.04978	0.8
61.02912	1.4
67.05495	8.8
69.03423	5.7
69.07046	3.3
70.06561	0.6
71.04970	1.7
73.02892	1.1
76.56036	0.8
79.05479	10.2
81.03379	1.3
81.06596	1.2
81.07038	23.3
83.04962	1.1
83.08607	1.8
84.96411	0.8
85.02888	14.0
85.06530	1.6
91.05453	8.7
93.07015	13.9
95.04944	1.3
95.08581	15.0
97.02854	3.6
97.06517	5.1
104.92434	0.8
105.07017	15.6
107.04960	1.1
107.08569	18.5
107.69604	0.7
109.02854	0.9
109.06502	4.9
109.10146	9.1
111.08065	1.7
111.38785	0.7
117.06959	5.9
119.08556	14.1
121.06490	3.3
121.10098	6.1
123.08027	6.0
123.11616	0.9
128.06262	1.3
129.06953	5.1
129.72845	0.8
130.07693	0.9
131.08531	11.8
133.06467	1.5
133.10121	12.1
134.34531	0.8
135.08041	7.7
135.11642	4.6
137.09602	4.0
139.73332	0.9
141.06973	3.0
142.07794	3.3
143.08521	13.8
145.10100	37.4
147.04388	1.2
147.08015	4.2
147.11635	4.8
149.09599	1.7
151.11058	1.7
155.08528	8.7
156.09332	0.8
157.10101	19.6
159.11650	17.6
161.09564	3.7
161.13232	3.0
163.11140	4.2
167.08495	1.0
169.10078	10.0
171.08008	1.4
171.11656	11.0
173.09514	3.0
173.13203	5.0
175.11140	4.5
177.12761	1.0
179.08479	0.9
181.10049	6.5
182.10899	1.4
183.11647	9.8
185.09587	3.7
185.13239	5.7
187.11162	5.1
187.14783	1.0
189.12666	3.7
191.08209	1.2
193.10020	1.7
195.11667	12.3
196.12521	1.4
197.09703	0.7
197.13258	11.1
199.11165	0.8
199.14809	3.4
201.12724	3.3
203.14217	0.8
207.11691	4.1
209.13260	8.4
210.13837	0.9
211.14778	9.7
213.12715	3.0
213.16351	3.1
215.14272	3.6
217.15910	0.9
219.13777	0.8
221.13260	3.7
222.14020	1.7
223.14836	5.1
225.12708	1.5
225.16342	4.8
227.14209	3.7
229.15811	2.8
233.13208	1.7
235.14758	4.9
236.15498	3.8
237.16350	7.6
239.14236	1.7
245.15622	0.8
248.15642	1.2
249.16249	1.7
251.17885	13.6
252.18597	1.2
253.15762	3.8
253.19409	7.0
255.17413	4.1
265.19427	1.8
267.17331	1.3
267.21082	4.7
269.18930	8.8
277.19443	13.6
283.20523	1.7
285.22067	2.9
295.20514	32.4
307.12909	0.9
313.21542	34.2
331.22620	36.6
349.23666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01859	4.0
55.05499	4.4
57.03426	12.3
57.18028	1.7
61.02906	10.0
65.43884	1.8
67.05486	21.7
69.03416	49.4
69.07059	2.6
71.04975	12.3
71.05344	1.7
73.02906	8.7
73.55190	1.6
75.67326	1.9
79.05071	2.0
79.05466	22.7
81.03391	18.6
81.07037	57.4
83.08619	3.6
83.76360	2.0
85.02887	100.0
85.06534	3.7
87.04467	8.3
91.03938	4.1
91.05447	29.9
93.07023	28.2
95.04942	2.8
95.08590	33.1
97.02863	36.9
97.05937	2.1
97.06518	8.2
99.04453	8.5
105.07032	40.1
107.08572	40.7
109.02866	11.8
109.06508	11.4
109.10149	16.0
110.06834	1.8
111.08046	4.7
117.06985	14.1
119.08548	24.0
121.10111	12.5
123.08036	13.3
123.11645	2.0
125.09615	2.6
127.03900	18.5
128.06206	3.7
129.06993	13.0
130.07811	2.3
131.08563	23.3
133.06386	2.6
133.10124	22.7
135.08014	3.7
135.11682	8.1
141.06946	3.4
142.07765	3.4
143.08542	29.8
145.04977	8.2
145.10114	55.9
147.08078	2.4
147.11676	12.6
149.09541	3.7
149.13220	2.5
155.08533	18.7
156.09309	3.3
157.10095	31.8
159.08076	2.9
159.11667	29.9
161.09586	4.1
161.13264	8.2
163.11165	4.0
165.06966	2.7
167.08549	8.1
168.09314	2.6
169.10098	20.6
171.08040	2.9
171.11659	16.8
172.08733	1.9
173.09592	2.7
173.13239	4.4
179.08498	4.3
180.09335	3.8
181.10123	11.6
181.12169	2.1
183.04082	1.9
183.11711	20.2
183.13097	2.5
185.13217	10.8
187.11180	9.7
187.14848	3.8
189.12691	7.5
193.10124	3.3
195.11687	16.2
196.12566	2.5
197.13242	16.3
199.14818	4.8
201.12767	2.7
201.16287	13.9
207.11661	9.4
209.13240	11.6
211.14742	15.5
213.16493	2.2
215.14403	2.5
221.13167	11.1
223.14850	4.5
225.12762	2.6
225.16418	4.1
227.14235	4.5
227.16302	4.2
235.14714	9.6
237.16379	12.1
239.17876	2.2
249.16335	2.2
251.17894	29.5
253.15849	4.4
253.19487	9.0
255.17415	8.5
262.17157	3.8
265.19534	2.9
267.20892	3.7
269.19006	9.7
271.20465	3.4
277.19495	21.3
283.20511	3.0
295.20477	81.9
313.21552	66.3
314.22168	3.7
331.22644	24.0
437.98715	2.0
475.26926	13.6
493.27872	59.7
511.28903	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01855	3.2
55.05504	4.9
57.03422	12.0
61.02920	13.7
67.05497	14.9
69.03415	33.2
69.07037	8.6
71.04974	4.0
73.02898	7.9
79.05472	20.0
81.03391	11.3
81.07028	34.2
83.04967	2.2
83.08607	4.6
85.02888	89.7
85.06538	3.4
87.04462	4.7
91.05450	19.8
92.09220	2.9
93.07018	35.4
95.04951	2.8
95.08594	34.0
97.02879	22.9
97.06494	2.1
99.04435	4.1
103.92692	1.9
105.07004	48.7
107.08582	37.8
109.02870	11.9
109.06512	9.0
109.10143	13.8
115.03883	2.6
117.06988	11.0
119.08566	30.3
121.06480	9.1
121.10123	17.2
123.08048	9.4
123.11668	3.4
126.38259	1.9
127.03870	14.8
128.06247	2.4
129.06973	2.4
131.08556	17.8
133.06483	17.4
133.10115	19.0
135.07967	2.6
135.11665	12.2
137.06009	3.0
137.09492	2.6
139.07555	2.5
143.08536	9.7
145.04941	13.8
145.10075	23.4
147.08049	3.0
147.11658	38.4
149.09618	9.5
149.13234	12.0
151.07549	26.3
151.11131	3.1
155.08569	4.0
156.09198	1.9
157.10126	17.4
159.07974	3.4
159.10567	2.2
159.11636	20.0
161.09581	4.0
161.13237	15.6
163.11153	8.1
163.14784	4.5
165.09048	2.9
167.08485	2.4
169.10098	7.8
171.11613	16.2
173.09598	7.4
173.13254	8.3
175.11139	3.0
175.14766	28.4
177.09096	3.8
183.11658	4.4
185.09558	7.8
185.13199	13.6
187.11145	14.3
187.14803	7.7
189.12764	4.3
190.95692	1.9
195.10095	7.4
195.11685	3.0
197.13226	7.9
199.11211	3.3
199.14813	3.7
201.12660	8.5
201.16299	2.9
203.10677	2.1
205.12199	3.1
209.13229	3.7
211.14793	4.6
213.12801	3.4
213.16351	2.7
227.17859	3.4
231.13725	3.8
253.19510	21.0
255.21060	2.9
257.22479	2.5
267.21017	30.7
269.18845	4.6
271.20453	4.5
277.19498	3.7
285.22073	26.5
289.21500	2.9
295.20447	41.7
313.21545	100.0
331.22607	66.1
349.23627	11.3
439.76596	2.1
451.26886	6.7
475.26941	18.5
493.27890	47.5
511.29001	8.3
522.87274	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	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24337	0.6
53.03933	0.8
55.01858	0.9
55.05495	1.2
57.03416	0.9
57.27256	0.6
58.30317	0.6
59.04990	1.1
61.02919	1.1
62.20417	0.6
63.78243	0.5
67.05484	4.6
69.03416	4.7
69.07035	3.0
69.15577	0.6
71.04983	1.5
73.02887	0.6
79.05466	6.6
81.03410	2.7
81.07037	10.2
83.04967	2.9
83.08608	0.7
85.00318	0.6
85.02887	11.3
85.06533	3.7
87.04435	1.2
88.14065	0.6
91.05462	10.3
93.07018	14.5
95.04944	2.7
95.08588	12.6
97.02876	3.2
97.06514	5.5
97.10149	1.0
100.28862	0.6
105.07006	21.1
106.35329	0.7
107.04942	1.3
107.08571	16.8
109.02877	1.0
109.06505	4.4
109.10155	4.8
111.08090	1.7
115.05437	0.8
117.06994	4.1
118.76315	0.6
119.08562	17.0
121.06493	3.7
121.10106	7.8
123.08042	12.8
123.11673	1.4
125.09579	0.8
127.03857	1.0
129.06970	2.9
131.08531	12.0
133.10104	13.2
135.08028	10.9
135.11665	5.9
137.09598	0.9
141.06966	2.9
143.08545	11.2
144.09294	0.9
145.04964	1.1
145.10106	27.4
147.08057	1.0
147.11668	5.1
149.09581	5.3
149.13234	2.9
151.11140	0.7
155.08481	4.9
156.09367	1.2
157.10091	15.8
159.08083	0.9
159.11664	40.3
161.09543	5.7
161.13240	8.7
163.11119	7.7
169.10086	4.2
170.10921	1.2
171.11650	12.8
173.09549	1.6
173.13260	8.4
175.11139	4.9
175.14763	5.8
177.12727	3.2
181.10063	3.2
183.11734	5.7
185.13228	23.3
187.11150	1.1
187.14604	1.0
189.12698	4.1
191.14326	1.6
195.11635	5.3
197.13251	6.1
199.14796	1.3
201.12735	2.8
201.16405	0.8
203.14284	13.2
209.13268	1.6
211.14804	4.6
213.16341	1.2
215.14319	1.5
225.12706	0.7
225.16370	1.3
229.15891	3.0
235.14725	1.0
237.16412	6.2
243.17392	0.8
251.17961	3.2
253.19514	2.6
255.17351	15.9
267.17273	1.1
267.21051	1.3
269.18951	18.5
271.20435	4.4
277.19431	4.4
283.20502	3.0
285.18484	4.2
285.22052	4.7
295.20511	25.0
301.21591	1.2
313.21552	53.3
331.22598	40.6
349.23657	100.0
350.23758	0.8
432.32034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	50.3
62.75812	2.1
69.07043	4.8
71.08609	38.0
71.56262	1.9
73.06532	8.5
76.56487	2.4
81.07026	4.4
83.08582	3.1
84.13519	1.9
84.66846	2.2
85.10162	17.4
87.04446	3.3
89.06006	100.0
97.10139	3.3
133.08556	33.3
161.21301	2.4
173.03506	2.3
177.11211	13.0
185.39336	2.3
191.28741	2.1
223.97139	2.0
261.91864	2.5
283.17404	16.6
299.29358	9.2
346.43549	2.4
493.40903	32.1
530.13251	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01862	2.3
55.05502	10.2
57.03420	3.0
57.61200	1.8
67.05499	12.6
69.03419	5.6
69.07056	12.6
69.43388	2.2
71.04989	3.3
79.05476	12.8
81.03387	3.2
81.07025	29.6
82.07388	3.4
82.80547	2.6
83.00485	2.0
83.08626	4.8
85.02893	28.8
85.06516	5.4
91.05447	14.3
93.07014	32.5
95.04922	11.2
95.08581	28.0
97.02883	5.5
105.07014	20.6
107.08581	30.5
109.06506	9.2
109.10143	36.7
110.10385	2.8
111.08028	2.9
117.06969	3.2
119.08578	22.2
119.09263	2.4
121.06453	4.4
121.10089	20.0
123.08051	5.1
123.11688	9.2
126.44182	2.3
127.03930	3.2
129.06955	4.4
131.08540	18.6
133.10149	17.7
135.08035	14.2
135.11684	12.8
143.08528	11.6
145.10074	21.4
147.07997	3.8
147.11679	15.7
149.09567	4.9
149.13246	4.0
155.08543	4.3
157.10150	10.6
159.11597	16.8
161.09596	5.9
161.13206	11.2
163.11185	9.2
169.10063	10.4
171.11650	17.2
173.13176	11.7
175.14767	4.4
181.10133	3.4
183.11697	9.6
185.13245	4.5
187.11223	3.5
187.14702	3.8
195.11649	4.2
197.13263	10.2
199.14839	10.1
203.14299	2.9
205.12250	2.8
207.09987	2.9
211.14725	5.8
213.12807	3.2
213.16333	3.9
215.14262	3.4
223.14809	3.6
237.16257	3.6
251.17892	4.2
253.19481	22.7
255.17387	3.0
267.21039	3.1
269.18936	9.2
271.20490	24.3
277.19394	4.2
285.21930	3.6
295.20490	31.1
313.21542	100.0
331.22568	40.9
349.23688	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
57.07058	5.8
58.94134	0.8
59.04987	11.0
67.05490	26.3
69.03418	14.4
71.04979	20.3
81.07028	4.2
83.04967	1.4
83.08579	1.0
85.06526	23.3
86.32986	1.0
87.04457	7.4
91.05437	1.3
93.07008	4.5
93.45483	0.9
95.04946	31.8
95.05512	1.5
95.08601	3.5
101.06004	1.5
101.34182	0.9
105.07030	4.4
107.08566	5.9
109.10145	3.6
113.05987	100.0
119.08568	4.4
121.10126	3.6
123.11633	1.6
131.08459	1.1
133.10114	2.0
135.11679	1.3
135.32677	1.0
145.08578	25.9
145.09811	1.6
145.10107	1.3
147.11674	4.4
149.13271	1.5
151.07510	4.4
157.10092	1.4
159.11699	1.1
161.13223	5.2
173.13165	1.4
175.14822	6.3
185.13237	1.4
195.10072	1.5
253.19456	1.0
255.21021	1.7
267.20966	2.1
285.22128	3.7
303.23047	1.0
313.21542	13.0
331.22583	21.3
349.23752	1.5
356.01660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.8
55.05503	9.9
57.03430	7.7
57.07067	89.4
61.02915	8.0
67.05496	16.7
69.03397	3.2
69.07056	14.1
71.04940	0.5
71.08614	60.8
73.02896	2.0
75.04448	3.3
81.03378	0.6
81.07038	28.0
83.08604	21.8
85.02882	6.7
85.06519	0.7
85.10170	34.5
89.05993	2.5
91.03918	3.9
92.08632	1.2
93.07042	0.7
95.08585	44.6
97.02879	4.8
97.10145	8.7
99.11702	2.4
103.07578	0.8
108.54355	0.4
109.08031	0.5
109.10147	19.6
111.11704	0.7
123.11698	8.1
125.13197	0.8
127.03866	2.2
137.13214	3.6
143.31892	0.6
165.16408	0.6
190.88585	0.6
221.22551	0.5
239.23651	27.0
257.24658	6.5
313.27319	100.0
331.28375	25.1
383.27795	1.0
401.29126	5.1
429.42975	0.6
446.52347	0.6
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
52.67774	0.4
53.00285	1.0
53.16441	0.3
55.05503	10.3
57.03427	7.2
57.07066	69.2
59.05017	0.4
60.08142	2.6
61.02910	6.7
65.36111	0.4
67.05494	16.2
69.03416	0.8
69.07055	12.2
71.04976	0.4
71.07339	0.7
71.08614	53.2
73.02901	0.8
75.04453	2.3
79.05474	0.8
79.36703	0.4
81.07036	24.6
81.51613	0.4
83.08599	19.6
85.02890	6.7
85.10165	29.5
86.09695	10.4
89.06004	1.6
91.02811	0.4
91.03951	3.0
91.05437	0.9
92.08563	0.4
93.07007	0.8
95.08584	39.1
97.02885	2.8
97.06384	0.4
97.10154	8.2
98.98436	0.5
99.11710	1.0
103.07539	0.9
104.10724	15.0
105.07034	0.5
107.08578	1.5
109.10143	16.8
111.11688	2.1
113.13248	0.6
114.37064	0.4
121.10076	0.6
123.11680	7.7
124.99982	6.6
125.13251	0.6
131.08566	0.7
135.11699	0.5
137.13217	2.6
147.04414	3.7
149.13103	0.5
165.16370	0.8
184.07298	15.6
221.22496	1.5
239.23636	24.0
257.24600	4.4
275.25638	0.5
309.17880	0.5
313.27304	100.0
331.28357	19.9
377.43903	0.4
475.32455	1.9
492.33951	0.7
510.35742	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	510.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01868	0.9
55.05495	7.2
57.03429	5.1
57.07055	2.2
58.99568	0.7
59.04969	1.0
60.04505	1.1
66.13585	0.5
66.59800	0.6
67.05489	6.0
68.25107	0.6
68.51451	0.5
69.03410	19.4
69.07045	1.4
70.06577	0.6
70.65469	0.5
71.04985	4.5
74.98746	0.5
75.04455	0.5
76.56349	0.7
79.05462	6.7
79.18272	0.5
81.03381	3.5
81.07040	9.1
83.04961	4.0
85.02425	0.7
85.02890	12.1
85.06526	20.5
86.99032	2.7
87.04443	7.8
91.05473	4.0
92.05770	0.6
93.07022	18.1
95.04928	3.1
95.08580	14.5
97.02879	9.5
97.06507	3.5
99.04426	15.5
105.00056	6.5
105.07006	5.4
107.04913	2.3
107.08578	16.0
109.02841	1.3
109.06496	4.4
109.10156	6.4
111.04420	36.4
111.08066	2.5
113.05978	3.4
115.03925	4.8
117.03685	1.0
117.07019	2.3
119.04914	0.8
119.08533	5.9
121.06464	3.6
121.10114	52.7
123.04426	0.7
123.08015	2.9
123.11670	4.9
125.05955	5.3
125.09589	1.1
127.03900	0.8
127.07491	2.3
129.01431	0.6
131.08539	2.2
133.04944	3.4
133.10065	2.5
135.08040	9.2
135.11673	22.8
135.33139	0.6
135.39546	0.6
137.05882	1.0
137.09604	4.5
137.13309	1.9
139.07510	4.9
139.11095	0.9
145.04970	1.1
145.10100	16.9
146.10378	0.7
147.04396	7.1
149.09578	1.2
151.03928	0.9
151.11172	1.1
153.12691	5.8
155.08551	0.8
155.10674	2.9
159.07971	0.7
159.11705	0.8
161.13191	0.6
163.04274	2.3
163.11142	32.1
167.07042	0.9
167.10623	1.3
173.13188	0.7
175.11060	1.0
181.12196	100.0
191.03590	0.8
193.04822	4.4
199.13257	46.8
245.19827	0.6
313.14890	0.8
330.21329	1.1
331.15891	0.8
361.18509	0.7
409.56369	0.6
510.27356	2.2
538.88489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
54.27670	0.6
54.68756	0.6
55.01865	0.8
55.62344	0.7
56.96532	0.7
57.03412	3.2
59.04713	1.1
59.04987	20.3
60.04501	0.7
61.02910	1.3
64.94032	0.8
69.03415	15.7
71.01313	0.7
71.04975	5.0
73.02886	1.2
74.09682	0.8
74.96499	0.6
79.05486	0.8
81.03398	10.8
82.33973	0.6
83.04948	0.7
83.95822	0.6
85.02888	23.7
86.77370	0.8
87.04443	18.7
89.06008	15.7
91.05444	8.0
92.09029	1.5
93.07030	1.8
95.04961	0.9
97.02863	28.5
97.32066	0.7
99.04411	3.4
103.03918	1.1
103.05433	4.8
105.05473	7.5
107.04931	4.7
108.04457	0.8
109.02866	9.1
111.04434	0.8
115.03931	0.9
118.06886	0.7
119.04910	14.7
121.06470	11.4
122.03607	1.1
123.04407	1.8
127.03886	17.8
131.04877	7.4
133.02849	1.4
133.06483	1.2
134.03616	1.3
135.04349	2.9
135.06459	2.8
137.05949	72.0
140.04668	2.7
142.81667	0.9
145.02864	1.6
145.04936	8.7
145.06479	1.1
147.04382	32.6
148.05174	3.3
149.05940	19.7
151.03856	6.4
151.07518	1.5
159.04358	6.3
161.05960	1.1
163.03888	3.4
163.07410	2.6
165.05502	1.5
167.06995	100.0
169.05011	1.5
175.07471	1.1
177.05426	34.3
179.07013	13.6
181.08617	1.5
183.04791	0.7
191.06982	5.4
194.05731	1.2
197.08052	9.6
203.06982	3.1
209.08047	17.3
215.06947	4.0
227.09105	35.9
229.08736	0.8
231.08582	4.6
233.07869	1.0
249.09618	3.1
257.08051	1.8
344.33548	0.9
442.81595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
53.49097	0.6
54.50693	0.8
55.01858	4.0
55.05507	0.8
57.03430	8.1
58.33586	0.7
59.04990	1.0
59.90670	0.9
60.04514	1.0
61.02915	9.4
63.76582	0.7
65.03948	0.8
67.05492	1.6
69.03065	1.5
69.03416	27.7
69.07043	1.2
69.59763	0.6
71.04974	5.1
72.08109	1.0
73.02895	4.5
79.05463	4.3
81.03417	9.8
81.07035	14.4
83.04964	1.4
85.02892	100.0
85.06505	1.9
86.03214	0.9
87.04434	7.1
91.03921	4.5
91.05469	10.4
93.07024	7.1
94.04171	3.8
95.04989	1.7
95.08558	3.5
97.02258	1.5
97.02875	39.8
97.06498	1.3
99.04440	9.2
105.07026	4.8
107.04945	7.0
107.08582	5.4
109.02853	6.9
109.06506	53.3
109.10141	1.3
111.04385	0.8
111.08024	1.1
115.03886	4.2
117.06996	1.1
119.04926	1.0
119.06022	1.6
119.08525	3.8
121.06477	1.5
121.10123	8.1
123.08035	3.9
125.09582	1.1
127.03906	18.0
127.07634	0.9
131.07585	0.8
131.08540	1.1
133.04950	1.3
133.06491	1.3
133.10117	1.5
135.08040	3.7
135.11647	2.9
137.05956	84.7
139.11197	3.2
144.06561	1.5
145.02831	1.2
145.04950	24.4
145.10156	1.5
147.04311	1.0
151.11185	1.1
153.09084	1.7
154.06215	4.5
163.05972	4.7
163.07346	0.8
163.11140	4.2
167.06981	3.3
169.08569	98.3
173.13332	1.1
177.05482	1.4
181.05025	0.9
181.07007	0.9
181.08594	6.6
181.12227	8.3
186.05487	0.8
199.09610	3.6
199.13405	5.8
227.16270	0.9
237.02798	1.1
296.58621	0.8
312.10391	0.9
329.11255	1.3
330.11520	4.2
347.12372	1.1
348.12491	3.6
510.16376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82830	0.2
52.87742	0.3
53.03924	0.6
54.81935	0.3
55.01849	1.3
57.03425	3.2
59.04977	0.6
61.02900	0.4
64.26379	0.3
65.66479	0.2
67.05474	0.7
69.03414	11.8
71.04977	0.3
71.53172	0.2
75.04454	0.4
79.05471	5.8
81.03392	1.5
81.07024	1.8
85.02883	10.7
85.03366	0.6
87.04447	6.6
89.06009	0.3
91.05434	2.9
92.08738	0.3
92.09198	0.5
93.07019	10.2
95.04947	3.1
95.08578	1.4
97.02874	9.2
97.06499	1.2
99.04405	0.5
103.05411	0.4
105.07018	0.4
107.04983	0.9
107.08567	0.5
109.02856	1.2
109.06472	0.4
111.04408	1.1
111.08019	1.2
115.03913	7.2
119.04901	0.3
120.23407	0.3
121.06475	17.1
123.04384	2.0
123.08039	9.2
125.05937	0.7
127.03873	1.5
133.04935	5.5
135.04320	0.4
137.05948	11.3
139.07513	16.2
140.04655	8.1
141.05493	0.3
145.02754	0.4
145.04915	1.1
149.05948	7.1
151.03888	6.4
151.05009	0.4
151.07504	1.1
153.05421	1.8
153.09050	0.4
154.05737	0.3
155.06999	3.3
163.03793	0.5
163.07520	0.4
167.06995	100.0
169.04893	0.3
175.07497	0.4
177.05440	0.6
179.06886	0.3
180.40717	0.3
181.04904	2.0
181.08505	2.6
185.08041	1.2
187.84683	0.3
195.06575	1.0
199.05977	6.5
199.09618	38.8
205.08656	0.3
277.10550	0.3
313.09018	0.7
361.14807	2.2
402.29562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01848	2.0
57.03173	0.6
57.03429	13.7
59.04983	3.1
60.04483	0.4
61.02909	0.8
65.03922	0.4
65.19020	0.4
67.05479	1.8
67.05805	0.4
69.03411	41.6
69.23885	0.4
70.49317	0.4
71.01344	0.4
71.04949	0.5
71.38325	0.4
72.67334	0.4
73.02893	0.7
75.04440	2.3
75.79263	0.4
77.64749	0.4
79.05463	6.4
79.76824	0.4
81.03386	3.3
81.04245	0.4
81.07023	1.7
83.04972	0.7
85.02884	32.0
87.04446	23.2
91.05462	3.3
93.03377	0.6
93.07011	12.8
95.04935	10.8
95.08568	0.9
97.02861	35.1
97.06501	2.2
99.04409	0.7
100.41442	0.4
105.07014	0.8
107.08536	0.7
109.02852	1.0
111.04386	2.2
111.08051	1.7
115.03902	26.9
121.02824	0.8
121.06474	16.9
123.04398	8.3
123.08034	8.6
125.02301	0.9
125.05929	1.0
126.06254	0.5
127.03867	2.8
133.04936	19.7
135.04382	0.5
135.08020	0.8
137.05943	7.3
139.03871	0.5
139.06625	0.6
139.07510	19.1
140.04655	33.1
145.04910	2.6
149.05948	7.7
151.03883	9.0
151.07468	0.5
153.05428	2.9
153.09055	0.6
155.07004	17.2
163.03891	0.6
163.07484	0.6
167.06990	100.0
169.04988	0.7
173.08073	1.8
177.05424	0.7
178.04968	0.7
181.04921	8.4
181.08510	2.4
185.08041	1.8
195.06448	1.1
196.06953	0.5
199.04129	0.7
199.05974	28.1
199.09618	36.5
211.05910	0.6
215.12724	0.7
223.05949	0.8
242.45918	0.5
259.07986	0.8
307.11426	0.5
313.09140	1.8
361.14856	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	509.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84538	1.0
55.05262	1.5
55.05506	25.2
57.03424	1.2
57.07064	17.6
67.05495	27.7
69.03417	1.5
69.07054	74.4
71.08614	6.6
79.05466	9.9
80.86960	1.0
81.07039	100.0
82.04578	1.2
82.55772	1.2
82.60132	1.0
83.08601	37.2
85.02874	10.5
85.06528	8.6
85.10174	1.5
91.05436	2.0
93.07019	23.6
95.04939	1.9
95.08584	93.9
97.02859	1.8
97.06485	1.1
97.10152	22.4
99.08067	5.9
101.18318	1.1
105.07002	2.5
107.08576	30.2
109.02937	1.4
109.10139	64.4
111.08051	2.4
111.11702	17.2
117.35918	1.0
121.10112	17.0
122.12856	1.0
123.11688	40.3
125.13222	9.0
127.03915	1.5
135.11647	8.4
137.13237	21.2
149.13246	24.5
151.14825	8.9
153.12761	1.4
155.14253	1.9
163.14775	10.3
165.16383	2.5
167.14284	11.0
172.60037	1.1
177.16339	2.6
179.17847	4.2
183.17403	1.1
193.19501	2.5
205.19586	1.7
219.21143	1.9
249.25685	2.5
251.61879	1.1
275.27332	11.6
281.28403	4.5
293.28329	34.7
311.29391	15.0
338.75040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98123	0.9
53.00298	1.2
54.44641	1.0
55.01853	1.2
55.05267	1.2
55.05505	23.7
57.03421	1.4
57.07066	16.5
59.04970	0.8
66.68164	0.9
67.05489	30.4
69.03421	1.9
69.07053	79.4
71.08605	9.5
71.36893	0.9
73.02885	1.0
75.17138	1.0
79.05474	12.4
81.07038	100.0
83.08601	40.9
85.02894	15.7
85.06532	9.7
85.10162	1.4
87.00355	1.0
87.04437	2.1
91.05456	2.0
92.09119	1.9
93.07018	26.0
95.08583	95.9
97.06487	3.6
97.10143	23.0
99.08063	5.0
105.07018	2.2
107.08575	37.7
109.10142	64.8
111.08071	5.5
111.11705	18.7
119.08553	1.8
121.10125	18.2
123.11682	46.0
125.09591	2.0
125.13252	8.3
127.03770	1.1
135.11656	9.1
137.13239	21.9
139.11147	1.0
139.14751	1.9
143.08530	1.1
145.10132	1.7
147.11708	1.4
149.13234	41.5
151.14830	6.6
153.12782	2.1
153.53551	1.1
155.14258	1.6
159.11720	1.1
163.14816	12.0
165.16333	7.2
167.14307	11.1
169.15810	1.4
177.16342	1.8
179.17886	1.8
180.80867	1.1
183.17300	1.2
191.17867	1.5
193.19464	2.3
205.19473	2.0
219.21068	1.3
249.25754	4.2
275.27219	13.5
281.28342	2.1
293.24942	1.5
293.28314	45.6
311.29410	16.8
407.28250	1.1
443.01083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16087	1.3
67.05489	1.7
68.20423	1.3
71.97046	1.3
80.74641	1.3
81.07051	2.5
93.07009	2.9
95.08606	2.3
96.14606	1.8
105.06974	2.0
109.10196	1.5
116.48380	1.6
192.94691	1.5
251.06081	1.6
335.18866	2.1
342.59265	1.9
346.63480	1.6
353.19882	12.5
371.21014	5.9
509.32224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50384	0.4
55.05508	0.7
62.13768	0.4
63.62091	0.4
64.33776	0.4
64.39838	0.5
67.05489	0.5
69.07067	0.5
78.13251	0.5
81.07034	0.7
92.08673	1.2
95.08584	1.0
105.06966	0.6
107.08557	1.1
109.10210	0.7
119.04963	2.2
119.08556	1.0
121.10131	0.8
128.99236	0.5
147.04401	7.7
191.17723	0.5
276.19739	0.6
281.08478	0.6
292.08575	0.5
357.04944	0.5
357.62567	0.5
357.67511	0.6
372.70563	0.5
478.25885	0.5
509.32336	100.0
510.32611	1.1
527.33264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	8.5
57.03424	1.5
57.07058	2.1
67.05502	14.9
69.07061	12.2
70.71047	1.2
71.08634	1.3
76.10072	1.2
76.56198	1.5
79.05450	6.8
81.07038	20.3
83.08583	9.1
91.05452	1.6
93.06995	7.9
95.08579	16.5
97.10159	2.3
98.98414	6.2
100.57195	1.5
105.06995	2.0
107.08544	8.5
109.10114	7.1
119.08538	2.7
121.10139	10.5
133.10085	2.8
134.94600	1.7
135.11650	8.7
137.13174	1.8
149.13297	2.3
155.00897	2.0
158.68874	1.4
237.21999	2.2
238.22377	2.5
311.25616	5.8
312.26053	2.4
337.27353	12.0
467.30948	1.6
491.31238	6.4
509.30731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3026
Annotation	Aburatubolactam C
Peak:m/z	Relative Intensity
52.41807	0.8
54.81519	1.1
55.05489	2.4
58.67411	1.1
59.28807	1.1
67.05489	4.1
69.07029	4.5
79.05466	2.6
81.07012	7.1
83.08592	1.8
91.05505	1.2
93.06979	4.9
95.08562	6.3
105.07006	1.4
106.22687	1.2
107.08574	2.4
109.10117	2.4
119.08495	2.0
121.10114	4.1
122.10387	1.8
133.00140	1.2
133.10040	1.1
135.11636	1.2
146.53513	1.3
151.12485	1.2
151.79858	1.2
182.45691	1.1
184.41003	1.1
237.21964	1.5
240.46396	1.2
273.50958	1.1
329.26706	1.6
509.30402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01850	2.4
55.05502	3.6
57.03416	4.4
57.07055	0.9
59.04977	0.7
61.02910	5.9
67.05499	5.1
68.48444	0.4
69.03070	0.6
69.03419	13.7
69.07052	4.7
69.92030	0.4
70.95301	0.4
71.04970	3.1
73.02877	3.3
79.05457	5.9
80.97101	0.5
81.03396	6.8
81.06593	0.9
81.07040	19.0
83.04973	2.3
83.08599	3.5
85.02888	37.0
85.06515	1.2
87.04448	2.0
91.03951	1.9
91.05454	6.2
92.09275	0.7
93.07024	14.0
93.07573	1.0
95.04916	2.3
95.08586	14.8
97.02871	12.4
97.06506	4.8
99.04430	2.3
105.07011	16.9
107.04930	2.7
107.08575	12.8
109.02868	3.8
109.06496	4.8
109.10134	6.5
111.04399	0.6
111.08034	0.8
117.06996	3.8
119.08555	12.7
119.74934	0.5
121.06470	5.4
121.10114	7.8
123.08025	4.5
123.11673	2.6
127.03885	6.3
128.06171	0.8
129.06978	3.0
130.60039	0.5
131.08536	13.5
133.06433	2.1
133.10109	10.2
135.08049	2.8
135.11633	2.9
137.09573	0.8
141.06982	1.2
141.39738	0.5
142.07744	2.2
143.08546	11.7
145.05011	3.8
145.06216	0.4
145.10112	16.7
147.08049	3.2
147.11671	8.8
149.09636	0.7
149.13199	2.3
151.07495	2.3
155.08537	6.9
156.09290	0.9
157.10092	16.0
158.10886	0.7
159.08041	2.7
159.11664	35.1
161.09587	2.9
161.13234	9.9
163.11096	1.1
167.08530	1.2
169.10098	11.1
171.08018	0.9
171.11664	9.1
173.09612	5.2
173.13223	18.5
175.11191	3.6
175.14799	3.4
177.09018	2.0
179.08513	0.6
180.09227	0.6
181.10120	4.6
182.10913	0.6
183.11662	12.2
185.09584	2.0
185.13193	6.4
187.11183	0.9
187.14839	2.0
189.12689	0.9
189.16348	0.6
191.14243	0.8
193.10120	2.3
194.10832	1.2
195.10118	0.9
195.11653	5.3
196.12415	1.1
197.09540	0.7
197.13252	6.4
199.11116	1.0
199.14763	4.7
201.12718	3.2
201.16359	8.4
203.10605	1.1
203.14310	0.5
207.11732	2.3
208.12495	0.6
209.13231	10.8
210.14001	2.2
211.11192	0.6
211.14790	6.9
213.12872	1.8
213.16338	17.8
221.13272	2.0
223.14757	9.0
225.12859	1.4
225.16347	22.3
227.14134	3.7
227.17885	0.7
229.15891	1.9
235.14789	2.5
237.12730	1.0
237.16330	0.8
239.14182	1.2
239.17908	2.0
241.15868	8.0
241.19531	0.6
249.16373	2.9
250.17216	1.0
251.17935	6.0
253.15828	3.2
253.19469	13.1
254.16563	0.7
254.20250	2.2
255.21025	20.9
265.19458	17.3
267.17334	4.9
269.18921	4.8
271.16907	4.7
271.20499	22.8
275.17975	0.9
277.18091	0.7
283.20505	100.0
284.20917	0.8
293.18909	11.2
301.21555	64.3
304.01636	0.6
311.19977	29.7
329.21051	48.8
347.22098	60.3
414.60681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.05506	2.0
56.78860	0.9
57.03421	1.2
59.04996	1.4
67.05503	2.9
69.03414	2.7
69.07036	1.9
73.02895	1.3
79.05475	5.1
80.66486	1.1
81.03415	1.6
81.07030	9.9
83.04973	2.3
85.02889	9.7
85.06519	2.1
91.05489	9.9
93.07030	13.7
95.04937	1.8
95.08536	8.6
97.02895	1.3
97.06509	8.4
101.15340	1.1
105.07000	14.8
107.04940	1.5
107.08554	11.3
109.06489	10.6
109.10139	2.3
109.13161	1.1
117.06992	6.0
119.08559	9.5
121.06451	7.5
121.10100	5.9
123.08069	7.9
128.06218	1.1
129.06979	2.6
131.08566	13.8
133.06494	2.7
133.10118	11.4
134.91734	1.1
135.08018	9.2
141.06944	2.1
143.08534	19.5
145.10114	21.0
147.08043	5.5
147.11737	4.1
149.09630	2.2
155.08501	4.6
157.10155	11.4
157.67979	1.2
159.08031	5.2
159.11646	14.4
161.09579	14.8
169.10117	14.9
171.11676	7.8
173.09599	4.9
173.13187	1.7
175.11203	5.1
177.12656	1.2
181.10110	5.5
183.11641	6.3
185.13179	5.2
187.11136	10.7
193.10040	1.8
195.11650	6.4
197.13295	2.5
199.11134	1.9
201.12730	5.6
203.14272	1.4
207.11697	1.6
209.13240	6.8
211.11151	2.4
211.14803	7.0
213.12685	1.8
220.12437	1.3
221.13254	2.2
223.14809	1.8
225.16423	2.7
227.14272	5.7
233.13228	1.9
235.14778	6.5
237.12709	1.5
249.16325	7.5
251.17947	6.5
253.15747	14.8
265.16028	1.7
265.19443	2.6
267.17303	15.7
269.18964	8.0
275.17871	5.0
281.18860	1.6
283.17041	4.0
283.20526	6.1
293.19006	16.3
299.19897	2.2
311.19998	55.9
329.21048	42.8
347.22113	100.0
440.71753	1.4
475.89758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
54.82312	1.5
55.01856	9.7
55.05499	10.4
57.03424	10.6
58.99578	13.5
59.04982	2.1
61.02919	10.7
63.63863	1.4
64.94547	1.3
67.05492	17.5
69.03416	75.8
69.07063	13.9
70.03745	8.7
71.04974	10.5
73.02904	2.4
73.06622	1.3
79.05477	22.2
81.03392	12.0
81.07038	40.9
83.04954	16.3
83.08604	3.7
84.04465	1.5
85.02886	63.6
85.06520	7.6
86.99034	31.5
87.04450	21.8
91.03917	2.8
91.05450	23.4
93.07023	35.1
95.04944	6.2
95.08578	43.4
97.02876	22.8
97.06514	25.5
99.02645	6.8
99.04426	7.1
99.08067	2.8
105.00069	59.8
105.07008	65.2
106.00433	6.4
107.04958	6.2
107.08571	58.8
108.57048	1.6
109.02866	7.0
109.06493	15.9
109.10129	23.7
109.76370	1.5
111.08057	9.8
113.05956	1.9
117.03654	7.7
117.06988	13.7
118.04002	2.0
119.04919	2.2
119.08555	37.3
121.06484	11.0
121.10125	23.4
123.08054	30.1
123.11662	6.2
125.09606	6.4
127.03890	9.7
128.06186	9.4
129.06982	5.7
131.08536	38.6
133.06500	7.8
133.10097	30.9
135.08069	8.5
135.11699	2.4
137.05971	17.1
137.09590	7.2
138.06351	2.8
139.11160	17.5
140.11485	11.4
141.06966	3.4
142.07730	5.6
143.08537	51.1
145.02974	7.0
145.04945	7.0
145.06468	7.1
145.10103	40.2
146.03394	2.4
147.08011	21.1
147.11665	26.6
149.02660	2.9
149.09602	16.7
151.11145	6.1
154.07648	2.3
155.08522	14.2
157.06535	1.7
157.10115	25.5
159.08023	16.8
159.11649	16.6
161.09587	37.4
163.04147	11.5
163.11163	15.5
164.04614	3.3
167.08580	3.0
167.10652	2.6
169.10123	10.5
171.08026	7.3
171.11626	13.7
173.09583	48.7
173.13239	6.6
175.11151	60.0
177.05467	8.1
178.05800	2.5
179.10574	5.3
180.10948	1.9
181.10158	3.4
183.11710	8.4
185.09511	1.9
185.13211	3.2
187.11108	25.8
189.12712	10.4
191.03722	3.7
193.12283	3.4
195.11670	8.5
197.09590	1.8
197.11522	1.7
197.13232	7.6
197.15230	1.7
199.11014	1.8
199.14786	2.7
201.12703	8.0
205.12196	3.5
207.11842	2.4
207.13609	4.5
209.13216	9.6
211.11324	2.0
211.14874	2.1
213.12711	8.1
214.13475	1.6
215.14308	9.6
225.12924	2.5
225.16331	5.7
227.14240	3.0
237.12619	2.9
237.16423	3.0
241.15726	2.9
249.16379	2.4
251.17996	3.0
253.15814	3.2
267.17419	9.5
269.18930	9.8
275.17850	1.9
283.13513	1.8
283.20389	2.1
285.18448	9.0
287.20099	7.8
293.18851	14.9
303.19492	40.2
311.19955	25.7
329.14474	19.3
329.21011	100.0
329.24997	3.5
330.14435	23.5
342.83896	1.7
347.22113	91.2
449.25278	28.8
491.26105	3.7
509.16339	1.8
509.27094	7.9
535.59033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2742
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03923	3.4
55.01845	3.3
55.05489	3.3
56.94808	0.4
57.03185	0.5
57.03418	6.6
59.04951	0.6
61.02906	9.7
67.05492	4.5
69.03412	30.1
69.07040	2.5
69.89022	0.5
71.04957	3.1
73.02884	3.5
77.58016	0.5
79.05467	9.5
81.03400	10.8
81.07039	10.5
83.04958	21.4
85.02885	54.0
85.06527	1.0
87.04442	6.3
91.03922	3.1
91.05449	5.6
92.08988	3.5
93.07012	8.5
95.04932	1.3
95.08581	8.9
95.48909	0.6
97.02257	1.1
97.02859	20.3
97.06502	71.6
99.04411	4.8
101.05988	2.5
105.06997	13.3
107.04910	1.0
107.08588	6.2
109.02853	6.2
109.06497	45.0
109.10108	2.5
111.04408	3.7
111.08070	0.5
115.05370	0.6
117.06981	3.5
119.08543	8.0
121.06480	7.4
121.10080	3.6
123.08038	11.9
127.03891	12.7
128.06194	1.0
129.07010	2.2
131.08533	13.2
133.06467	1.0
133.10086	8.9
135.08025	4.6
135.11629	1.1
137.09541	2.0
141.06935	0.9
142.07755	1.3
143.08557	7.0
145.04913	5.6
145.10092	15.6
147.08035	3.0
147.11646	5.5
149.09560	2.7
151.11180	0.6
155.08478	4.8
157.10123	7.0
159.08069	0.8
159.11639	8.4
161.09544	3.0
161.13158	2.7
163.11087	2.8
167.08508	1.1
169.10078	8.0
171.07962	1.0
171.11635	5.6
173.09592	8.7
173.13191	10.6
175.11194	3.5
175.14745	2.2
177.12729	2.9
181.04935	1.1
181.10065	3.2
182.10771	0.8
183.11650	4.5
185.09637	0.6
185.13156	5.5
187.11127	2.6
187.14748	3.7
189.12651	2.6
191.14264	0.8
193.10095	1.1
194.10918	1.0
195.11737	4.0
195.13258	0.6
196.12239	0.6
197.13173	6.6
199.11160	4.5
199.14796	1.1
201.12712	1.0
203.14270	0.7
205.11989	0.6
207.11768	1.1
207.13766	0.7
209.13203	4.8
211.11180	1.3
211.14766	3.1
212.66055	0.6
213.12584	2.0
215.14351	4.1
216.18277	0.7
218.10875	0.6
219.11638	1.0
221.13248	0.9
221.15382	0.6
223.10999	0.6
223.14690	4.1
225.12662	2.5
225.16301	0.6
229.15787	2.7
233.15247	4.8
235.14783	1.2
237.12686	1.1
237.16287	2.8
239.14206	2.2
241.15816	1.2
243.17320	1.1
247.14696	1.0
249.16217	1.1
251.14238	0.8
251.17889	3.0
253.15848	6.7
253.19429	1.1
257.14941	0.6
265.15814	2.6
265.19427	2.3
267.17349	1.2
269.18866	5.8
271.16913	1.0
271.20453	2.7
275.17761	3.5
278.16275	1.1
281.18948	1.0
283.20413	0.8
293.18930	21.1
311.16498	1.1
311.19980	24.4
329.21011	100.0
330.21371	1.3
337.97449	0.6
347.22079	65.3
367.32074	0.7
389.43988	0.6
470.97189	0.6
509.27304	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	509.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98875	0.3
73.76116	0.3
85.02885	0.4
92.09224	1.0
98.14036	0.3
120.08072	1.6
161.02908	0.3
166.08578	0.3
183.69278	0.3
185.07756	0.5
219.64220	0.3
340.83994	0.3
347.09213	1.3
347.13159	4.8
405.13245	0.4
449.13669	0.3
459.41644	0.4
491.17603	0.5
509.18307	100.0
510.18643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05543	1.3
53.03930	3.0
54.81866	1.4
55.01865	3.7
55.05500	16.3
57.03421	7.6
57.07056	9.0
57.45673	1.3
61.02904	9.9
65.03926	1.6
67.05492	25.8
69.03414	28.1
69.07055	37.7
71.04987	5.9
71.08615	3.4
73.02889	3.3
79.05463	18.7
81.03394	10.4
81.07034	69.1
83.04961	3.3
83.08600	18.5
85.02888	74.7
85.06510	9.1
87.04437	3.0
91.03951	1.5
91.05454	18.1
93.07029	28.9
95.04940	7.2
95.08582	66.5
97.02871	18.7
97.06505	15.7
97.10139	6.7
97.82143	1.8
99.04420	2.8
99.08051	2.0
105.07016	42.1
107.04968	2.2
107.08575	34.7
109.02870	6.5
109.06496	7.0
109.10136	32.5
111.08056	3.2
111.11735	6.1
115.03905	1.7
115.05415	1.8
117.06973	11.6
119.08560	24.1
121.06470	9.1
121.10133	19.0
123.08051	12.3
123.11675	16.1
125.05933	2.6
125.09613	2.1
125.13239	2.3
127.03889	9.4
128.06219	3.4
129.06996	6.3
130.07805	2.2
131.08533	21.5
133.06441	3.0
133.10114	15.2
135.08049	11.2
135.11671	8.5
136.97675	1.7
137.09589	3.8
137.13254	6.0
137.35626	1.5
141.06985	6.8
142.07773	6.9
143.08540	25.2
144.09216	2.2
145.04932	6.5
145.06483	3.5
145.10103	55.4
147.08035	8.3
147.11639	9.0
149.09569	8.9
149.13228	7.4
151.07521	4.0
155.08470	18.1
156.09355	2.4
157.10112	33.1
159.08000	7.7
159.11649	31.8
161.05939	9.6
161.09561	19.1
161.13264	2.2
163.11153	1.9
165.09149	2.4
167.06931	2.1
167.14294	2.7
169.10069	20.9
171.08084	3.5
171.11658	19.1
173.09636	14.8
173.13148	3.9
175.11151	8.6
176.08273	23.1
177.05449	3.5
179.08475	7.5
179.14261	1.9
181.10118	14.8
182.10986	2.4
183.11678	21.2
184.08745	1.9
185.09584	6.4
185.13155	9.3
187.11143	9.8
189.12708	7.4
193.10146	6.8
194.10893	7.2
195.11641	24.8
196.12477	1.8
197.09589	3.2
197.13214	13.5
199.11153	3.3
201.12668	3.4
207.10098	8.8
207.11713	7.7
209.13229	26.3
210.13945	3.3
211.11136	3.0
211.14774	9.0
213.12695	8.2
213.16292	2.1
215.14302	2.4
219.11537	1.8
220.12372	2.9
221.13135	1.8
223.14752	12.4
225.12674	2.5
225.16315	10.2
227.14256	5.9
229.15828	2.5
233.13199	3.2
235.14784	18.6
237.12579	2.6
237.16426	2.1
239.14273	3.1
239.17781	3.3
241.15823	3.4
249.16318	2.1
251.14279	8.7
251.17896	13.9
253.15834	25.9
255.21042	2.5
265.19461	11.0
267.17343	22.2
269.15405	3.2
269.18909	12.5
275.17856	7.0
275.27261	5.5
283.17358	2.2
283.20486	22.6
287.19995	2.6
293.18900	31.3
293.28357	14.3
301.21457	3.4
311.19971	74.5
311.29349	7.5
327.41901	1.9
329.21017	81.2
329.25003	3.1
347.22086	100.0
509.19681	12.2
509.26736	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	508.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01869	1.7
55.05263	1.3
55.05507	22.5
55.05761	1.6
57.03430	6.9
59.04712	1.4
59.04991	29.3
61.02910	6.0
67.05503	0.9
69.03412	34.8
70.06571	1.1
71.04974	4.9
73.02906	1.3
79.05476	1.8
80.47169	0.8
81.03401	20.8
81.07045	2.0
83.04467	0.8
83.04966	37.2
85.02893	49.9
85.48254	0.8
87.04437	7.1
91.03926	0.8
91.05460	6.4
92.08846	1.5
92.09317	0.9
93.07026	4.8
95.04963	4.6
95.08600	1.4
97.02868	46.0
99.04420	5.9
101.05994	24.1
103.03933	1.1
105.07038	7.5
107.04935	1.9
107.08578	46.9
108.04459	1.3
109.02861	15.2
109.06508	3.7
109.10163	6.5
109.57745	0.7
111.04447	1.3
115.03900	1.8
115.05439	1.3
117.03359	3.4
117.07005	1.9
119.04964	3.2
119.07008	6.4
119.08585	3.4
121.06493	5.3
123.04409	1.8
124.07590	1.0
127.03891	26.1
133.04985	1.3
133.06453	1.9
133.10117	21.4
135.04453	1.3
135.11681	6.9
137.05965	5.0
137.09615	8.1
137.77806	0.9
141.81065	1.1
143.06989	1.2
145.02834	15.1
145.04945	14.3
145.06438	3.3
147.04391	16.5
147.08015	1.0
148.04745	5.4
149.04892	1.3
149.05975	4.4
151.07518	1.9
151.11168	4.8
152.04643	1.0
161.05986	3.7
161.09604	9.7
163.03879	1.3
167.07005	100.0
173.05992	4.9
175.07535	1.3
177.05432	25.0
179.07040	1.6
179.10641	20.6
181.08594	10.6
187.05983	1.6
193.04935	3.8
193.08629	5.3
197.11694	82.4
205.08569	3.8
209.08060	1.5
211.09573	10.0
221.08064	1.2
227.09152	1.7
229.08632	1.4
229.10660	13.8
235.09619	1.1
239.09108	5.3
245.10167	10.1
253.10767	1.2
259.09619	1.4
263.11206	1.0
272.24432	0.8
277.10788	1.7
291.12189	1.0
295.11755	4.1
301.10666	1.5
319.11752	6.0
337.12766	7.5
339.10675	3.5
359.16913	28.1
397.15057	1.8
508.24332	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02443	2.2
51.95076	2.3
53.38354	2.1
55.05503	57.8
55.35675	3.0
57.03421	14.4
57.07066	28.9
61.02913	16.8
67.05490	75.0
69.07050	75.9
69.07403	3.8
71.04979	4.4
71.08620	5.5
79.05465	38.7
81.07033	100.0
83.04977	3.9
83.08604	88.3
85.02898	11.9
85.06525	4.7
85.10132	4.1
86.09675	3.2
91.03978	3.3
91.05434	3.0
93.07018	61.3
95.08575	76.0
97.02879	11.9
97.06522	20.9
97.10143	39.3
99.08062	4.8
100.20552	2.4
104.10773	3.9
105.07048	14.3
105.83031	2.7
107.08575	49.4
109.10149	37.3
111.08067	14.7
111.11701	5.6
119.08562	10.8
121.10115	93.9
121.59170	2.8
123.11687	24.5
125.09634	5.7
131.08649	3.2
133.10114	4.6
135.11659	62.9
137.13219	11.5
139.11177	5.0
145.02774	3.4
145.10095	3.5
147.11670	4.5
149.13202	26.7
153.12758	4.7
157.10141	3.6
163.14806	15.3
177.05385	3.7
184.07281	11.3
219.21077	40.6
237.22078	72.6
255.23148	15.4
298.85782	3.5
311.25723	69.6
329.26807	53.2
404.93390	3.6
470.02982	3.8
508.31522	20.0
509.30753	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	508.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28200	0.7
61.23418	0.7
67.05499	0.9
69.07018	0.7
71.91257	0.6
72.40419	0.6
73.55143	0.7
77.77358	0.6
81.07030	1.7
88.37056	0.7
95.08593	1.0
97.60491	0.7
98.80657	0.7
103.08232	0.8
107.08583	1.0
109.10125	1.0
114.37408	0.7
121.00625	0.6
121.10084	0.8
143.08459	1.0
230.14354	0.8
244.91728	0.7
266.18372	0.8
291.07983	0.9
435.73709	0.9
464.31924	1.0
467.34857	100.0
508.27203	1.1
508.37607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05499	2.0
57.03425	0.7
58.99575	20.7
59.04986	2.0
61.02904	0.6
65.03941	0.3
69.03413	73.5
71.05004	0.3
73.01115	1.9
75.02694	0.4
79.05489	0.4
81.03417	0.4
81.07012	0.6
83.04980	2.6
85.01112	2.0
85.02879	4.1
86.95523	0.3
86.99034	45.2
87.04449	17.0
87.04985	0.6
89.04243	2.3
93.07031	0.6
95.04910	0.4
95.08584	0.7
97.02864	1.3
97.10138	0.3
99.02657	7.5
103.02146	1.2
105.00070	100.0
107.08525	0.4
109.02890	0.7
109.10136	1.8
111.47343	0.3
113.00572	1.4
117.03693	15.9
119.01605	0.5
121.10117	3.5
123.01086	1.2
123.08029	1.1
127.03866	0.5
137.05945	3.9
137.09538	0.3
139.11154	39.7
145.03171	11.2
145.10107	0.5
148.99016	0.6
149.02652	10.4
149.03804	0.6
151.07524	1.2
163.04208	23.0
165.09071	1.7
171.07976	0.3
173.02626	0.6
173.09610	3.1
173.50929	0.3
174.09946	0.5
174.71352	0.3
179.10577	0.5
179.99054	0.3
183.04729	2.0
183.10139	1.8
183.11534	0.3
191.03691	13.1
197.11853	0.4
207.13782	6.0
215.10452	0.3
227.07335	0.4
239.10959	2.4
267.17441	2.7
268.17743	1.4
282.30774	0.3
283.13541	3.1
309.18475	0.6
311.12973	0.6
327.19528	1.1
328.19757	0.7
329.14105	62.7
330.14471	0.6
401.66846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01859	1.4
55.05505	22.8
57.03422	6.9
59.04987	34.0
61.02906	4.3
64.31030	0.6
67.05492	1.1
69.03071	1.4
69.03414	30.7
69.07043	0.8
70.06563	0.8
71.04960	4.7
73.02886	2.5
79.05479	1.4
81.03394	19.4
81.07018	0.7
83.04962	45.1
85.02885	54.1
87.04447	4.7
91.03911	0.9
91.05457	4.4
93.07030	5.1
95.04934	1.5
95.08562	1.1
97.02867	43.0
99.04415	5.7
101.05995	22.6
103.03876	1.4
105.07001	4.3
107.04984	2.3
107.08569	33.4
108.04474	1.4
109.02861	17.2
109.06506	0.9
109.10115	5.1
111.04398	2.6
115.03928	1.4
115.05435	1.0
117.03350	1.0
117.07005	1.2
119.04884	5.4
119.07009	4.6
119.08578	3.2
120.05286	1.0
121.06487	2.9
123.04406	1.6
123.08051	1.0
124.07594	1.3
127.03873	20.1
133.04959	0.8
133.06401	2.6
133.10071	13.0
135.11673	4.6
137.05936	4.1
137.09576	5.7
143.06993	1.0
143.49512	0.7
145.02835	9.4
145.04927	14.9
145.06471	4.1
147.04390	23.6
147.08028	1.3
148.04715	12.1
149.04854	3.2
149.05986	3.0
149.09605	0.8
151.07492	2.8
151.11105	2.8
159.07988	0.7
161.05890	3.6
161.09494	3.1
163.07465	0.8
167.06996	100.0
173.05920	2.9
175.07471	0.9
177.05443	15.6
178.06163	0.7
179.07013	1.4
179.10606	12.4
181.04944	0.7
181.08569	7.7
185.08089	0.9
187.05984	1.7
190.06247	1.0
191.07040	1.3
193.04951	3.5
193.08548	7.7
197.11688	50.0
199.07527	0.9
205.06941	1.2
205.08603	3.1
207.10164	1.5
209.07954	0.9
211.09549	8.4
213.11018	0.9
221.07974	1.6
223.09549	1.1
227.09058	2.8
229.10678	10.7
233.07953	1.0
239.09122	5.9
244.07233	0.8
245.10126	11.2
253.10616	4.3
263.11179	1.1
277.10544	1.4
295.11646	3.8
301.10757	1.4
319.11719	9.4
337.12796	6.7
339.10773	1.2
359.16898	17.8
437.17764	2.8
508.23856	1.5
514.14160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01870	0.5
55.05511	0.6
57.03430	1.8
59.04997	0.4
61.02899	1.2
65.03918	0.3
66.51036	0.2
67.05479	0.3
69.03411	7.8
71.04959	0.7
73.02895	0.4
81.03395	4.9
81.07046	0.3
83.04967	1.1
85.02882	13.7
87.04443	2.2
89.03894	3.8
91.05460	1.9
92.08722	0.8
92.09335	0.6
93.07022	1.6
95.04951	1.0
95.08579	1.1
95.15088	0.3
97.02875	5.4
97.06518	0.3
99.04443	1.4
105.07011	1.7
106.04153	0.3
107.04929	0.3
107.08571	19.8
109.02869	2.3
109.06461	0.3
109.10126	3.3
110.04170	0.3
115.03883	2.2
117.02510	0.6
117.03350	17.9
119.04922	0.6
119.08557	1.2
121.06474	0.7
123.04377	0.5
123.08049	0.3
123.11649	0.3
124.00352	0.2
124.07542	0.6
127.03905	3.4
133.04930	0.6
133.10095	7.7
134.03593	1.2
135.04398	1.1
135.11685	4.2
137.05957	3.1
137.09570	3.5
138.09137	0.3
145.02820	63.1
145.04863	2.3
147.04376	1.0
149.02328	0.3
149.04776	0.3
149.05942	7.9
151.07616	0.3
151.11151	2.0
153.86154	0.3
161.09583	3.3
162.03130	0.3
163.03860	0.6
167.06996	2.9
167.10689	1.9
177.05423	100.0
179.10622	10.1
185.16122	0.3
186.05522	0.3
195.06473	0.7
197.11687	32.9
214.14310	2.0
321.09604	2.3
329.12256	0.6
339.10693	5.8
359.12711	0.5
359.16949	11.4
376.19421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
54.81782	0.2
55.01852	0.3
55.05483	0.7
57.03404	0.3
59.04964	0.8
61.02886	0.2
65.03909	0.2
67.05466	0.3
69.03415	3.3
71.04959	0.8
73.02877	0.2
77.03934	0.1
81.03393	3.4
81.07021	0.9
83.04963	2.3
85.02888	4.1
87.04475	0.2
91.05454	6.5
93.07024	0.2
95.04932	0.6
97.02866	6.2
99.04443	0.8
101.06007	1.7
103.05432	1.1
105.06985	0.2
107.04916	0.2
109.02855	2.6
109.06480	0.6
118.04119	0.9
119.04912	13.4
120.05220	0.1
121.06487	0.2
123.04369	0.6
125.05930	0.1
127.03876	2.6
133.06415	0.2
133.09973	0.1
137.05949	11.6
137.09549	0.2
145.04921	0.9
145.10028	0.2
147.04384	27.0
148.04694	0.8
149.05951	0.6
149.09598	0.3
151.03917	0.2
151.07521	0.3
153.05476	0.2
159.04379	0.2
161.05870	0.1
161.09586	0.3
163.03880	0.6
165.05374	0.8
166.07191	0.2
167.07004	1.2
170.66632	0.1
179.07059	1.2
179.10646	0.2
181.04913	1.0
193.04909	100.0
194.05270	0.9
197.11676	0.2
211.05986	2.3
211.09578	4.6
223.37202	0.1
227.08995	0.2
229.07079	2.4
245.10063	0.6
284.95303	0.2
291.08521	0.3
301.10162	0.2
309.09616	0.8
319.08203	1.8
337.09109	3.5
355.10138	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	508.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.2
53.03938	1.0
54.85899	0.2
55.01857	0.2
57.61982	0.2
59.04979	0.2
60.04512	0.3
61.02919	0.3
65.03912	2.1
69.03415	2.4
71.04972	3.4
72.08173	0.2
72.16008	0.2
81.02996	0.2
81.03388	2.2
81.07064	0.2
83.04961	0.4
84.08108	0.2
85.02895	3.9
87.04444	0.4
88.69180	0.3
89.06010	11.0
91.05472	3.6
93.03384	6.6
95.04948	0.4
97.02872	8.6
99.04433	1.6
107.04915	0.5
109.02851	3.0
110.03652	1.1
111.04428	14.0
117.03379	0.4
119.04920	4.9
121.06517	0.6
123.04338	0.4
125.05968	29.5
127.03873	2.2
135.04375	0.5
135.06500	0.5
137.05939	0.6
137.44318	0.2
145.02808	1.7
145.04939	1.4
147.04335	1.0
149.05957	0.6
151.03911	1.1
151.07515	1.0
153.05444	100.0
154.05734	0.4
155.06993	0.4
163.03865	1.7
165.05438	0.3
167.07019	1.6
177.05428	3.2
181.04988	0.4
182.09290	0.3
193.04927	1.3
195.06496	60.9
196.06844	0.5
197.08128	0.4
213.07445	0.6
243.08585	1.3
347.60602	0.3
356.93585	0.3
511.46613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
53.05358	0.5
55.05504	0.9
55.62967	0.4
55.97096	0.5
57.03452	0.7
57.07066	3.8
62.22737	0.5
65.03918	3.4
67.05481	1.2
67.24090	0.5
67.56981	0.5
69.03414	3.7
73.02873	0.6
77.03883	0.6
78.13326	0.4
79.05480	9.5
79.85944	0.6
80.05000	0.6
81.03398	9.7
81.05771	3.9
81.07034	1.4
83.01997	0.5
83.04964	1.2
85.02878	4.8
85.06542	2.9
89.03882	6.1
91.05461	2.3
92.04982	9.4
93.07029	0.7
95.04945	3.9
96.08115	8.3
97.02855	2.8
99.04450	0.7
105.06985	0.6
106.06537	68.3
107.04961	0.9
107.08595	0.6
108.08102	13.9
109.02851	2.8
109.05254	2.1
110.06002	0.7
117.02513	0.9
117.03352	26.7
119.04948	1.0
121.06512	0.9
122.05966	0.7
123.06782	8.0
124.07567	41.2
126.05478	0.9
128.53174	0.6
131.04958	0.6
134.03741	2.0
134.05991	36.6
134.87434	0.7
135.04437	2.4
136.07565	3.2
137.06012	1.2
137.09535	0.7
143.04427	0.5
145.02824	74.4
147.04408	3.1
148.07567	0.7
149.05972	11.3
151.03915	1.3
152.07039	81.7
154.05026	0.9
154.08627	0.6
163.03807	0.7
167.06984	10.0
170.08084	36.6
177.05428	100.0
179.10760	0.7
182.04431	0.9
186.05576	0.7
189.05290	0.7
199.73383	0.6
200.05574	0.9
227.09157	4.0
229.10695	1.3
247.11868	0.8
250.08650	0.9
267.09052	0.7
282.11249	2.9
295.08444	0.7
310.10754	3.5
314.12305	2.1
321.09653	2.5
328.11609	0.8
332.13202	5.3
339.10687	1.3
343.94241	0.7
373.36185	0.6
480.02335	0.6
490.16959	15.0
508.18057	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
54.82110	1.7
55.05501	28.7
56.29594	1.2
57.03416	1.5
57.07065	16.7
58.94701	1.2
59.04965	1.8
64.76645	1.2
64.89434	1.0
65.88556	1.2
67.05492	41.7
69.03403	6.9
69.07052	58.9
71.04983	3.0
71.08607	9.4
71.82303	1.2
73.57450	1.4
79.05466	27.4
81.03390	2.3
81.07038	99.2
83.04951	3.3
83.08598	26.1
85.02897	13.5
85.06527	5.5
85.10142	1.6
87.04403	1.5
91.05466	17.4
93.07025	51.0
95.04939	7.1
95.08581	100.0
97.02861	3.0
97.06503	2.4
97.10137	13.9
99.08084	2.2
105.07011	27.6
107.08578	45.4
109.10139	58.2
109.36549	1.4
111.08046	2.5
111.11696	8.2
113.05978	1.4
119.08549	22.5
120.63490	1.3
121.10126	33.2
123.08025	2.8
123.11685	24.9
129.06891	1.4
131.08452	2.1
133.10089	24.2
135.11685	23.1
137.09596	7.0
137.13274	11.3
145.10043	1.8
147.11658	22.5
149.13211	20.3
151.11205	2.2
151.14861	2.1
161.13213	10.8
163.14780	9.6
165.12695	3.2
165.16402	1.6
175.14854	5.8
177.16365	7.2
183.13905	1.7
189.16353	6.2
191.17880	3.1
203.17879	3.3
217.19498	6.0
237.02881	1.6
244.09840	2.0
245.09824	2.2
247.24133	2.2
273.25735	22.1
291.26764	24.2
309.27838	14.1
329.29266	1.6
332.34860	1.4
499.53867	1.6
519.19275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56237	0.2
55.05499	0.3
56.71048	0.2
64.33730	0.2
67.05482	1.0
69.07039	0.5
79.05470	0.6
81.07056	1.9
83.08600	0.4
89.86654	0.2
91.05484	0.4
93.07027	1.1
95.08599	1.7
105.07011	1.0
107.08594	1.1
109.10165	1.3
119.08556	1.0
121.10101	0.6
131.08553	0.4
133.10123	1.0
135.11700	0.3
145.10150	0.3
147.11705	0.3
159.11694	0.2
177.05414	0.3
198.10037	0.3
201.83875	0.2
203.18094	0.3
269.04807	0.2
280.62570	0.2
337.22290	0.4
358.91330	0.2
411.35196	0.3
425.30133	0.5
426.30652	1.3
463.71136	0.3
465.33273	5.1
466.33572	6.5
471.30939	0.4
472.31250	1.0
507.32816	100.0
508.33221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12986	0.4
55.81663	0.3
58.23867	0.4
60.09888	0.3
61.31112	0.4
67.05478	0.5
69.07059	0.4
81.07046	1.9
93.07031	0.7
95.08624	0.5
95.20899	0.4
107.08589	0.7
108.05706	0.4
109.10110	0.5
119.08532	0.4
147.11710	0.6
205.77341	0.4
325.97104	0.5
465.33667	3.2
466.33810	4.5
472.30804	0.5
507.32843	100.0
517.66071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2802
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
53.00300	0.4
55.01860	1.8
55.05508	7.6
57.03429	8.5
57.07084	2.3
59.04998	1.8
61.02929	0.4
67.05495	4.0
69.03418	26.9
69.07055	18.0
69.66583	0.3
69.85887	0.3
70.06599	0.4
71.01353	0.3
71.04978	4.0
71.08609	0.4
73.02905	0.7
75.04456	0.8
79.05476	4.8
81.03387	3.3
81.07037	15.5
83.04966	0.6
83.08603	9.6
85.02892	19.1
85.06525	4.8
87.04453	13.5
91.05463	2.1
93.07022	13.5
95.04913	0.6
95.08586	35.7
97.02871	21.3
97.10157	6.1
99.04440	0.8
99.08076	14.1
103.03918	0.4
103.05490	0.3
105.07029	3.6
107.08582	41.2
109.02850	1.7
109.06479	0.6
109.10146	8.0
111.04481	0.3
111.08076	6.7
111.11702	0.4
113.09628	1.8
113.99493	0.4
115.03915	12.9
119.08547	2.0
121.10124	67.8
123.04410	0.4
123.07983	0.4
123.11653	1.5
125.05983	0.4
125.09609	6.6
125.13250	0.5
127.03866	3.0
131.08499	0.3
133.04951	11.0
133.07637	0.4
133.10139	0.6
135.11670	12.0
137.09610	0.7
137.13223	7.9
139.11171	0.8
143.08705	0.5
145.04958	2.2
149.13260	4.6
150.05426	0.3
169.04982	0.7
177.05444	0.5
177.16357	100.0
195.13675	0.5
195.17410	19.8
195.19203	0.7
206.61140	0.4
213.18471	30.7
241.06828	0.4
259.08118	0.7
277.09152	0.5
284.16937	0.4
295.10236	1.5
395.79565	0.4
464.42346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2797
Annotation	Foliasalacioside I
Peak:m/z	Relative Intensity
50.42035	1.0
53.00304	1.3
53.03913	2.2
54.23239	1.1
54.81318	1.7
55.01846	3.2
55.05506	16.9
57.03171	2.1
57.03429	32.2
57.07056	2.6
58.99554	1.6
59.04991	11.0
61.02891	1.3
67.05480	9.2
69.03415	100.0
69.07053	35.4
71.04968	6.5
73.02879	2.5
74.39176	1.2
75.04451	6.4
79.05463	7.5
81.03390	8.0
81.07043	22.4
83.04969	10.4
83.08625	11.8
85.02888	72.6
85.06522	11.6
86.99054	4.5
87.03934	2.6
87.04450	52.4
89.92299	1.7
91.05446	7.2
93.07020	12.7
95.04933	3.0
95.08006	1.8
95.08574	37.5
97.02871	58.4
97.06503	2.3
97.10138	7.6
99.08068	18.6
101.05917	2.0
105.00050	11.1
105.07000	6.8
107.08576	36.5
108.08924	2.1
109.02843	2.9
109.06482	7.0
109.10127	14.5
111.04408	1.4
111.08035	5.5
111.11671	2.8
113.09627	6.9
113.45648	1.4
115.03914	39.7
117.03675	1.5
119.04852	2.4
119.08538	6.6
119.51642	1.4
121.06474	1.6
121.10124	36.5
123.08029	1.4
123.11677	6.6
125.09629	3.3
127.03851	5.2
131.08508	1.7
133.04945	24.5
133.10095	24.9
134.10432	19.3
135.08041	5.7
135.10716	7.5
135.11670	12.2
136.08382	1.7
137.08754	1.4
137.09607	18.8
137.13278	12.2
138.09894	9.4
139.10229	4.9
139.11157	8.6
145.03093	1.5
145.04919	5.7
145.10069	2.3
147.04346	3.1
149.13234	9.2
151.14857	1.5
153.09132	1.9
153.12683	5.6
163.04214	1.9
165.09023	1.8
167.07022	3.2
167.60832	1.6
173.13214	2.2
175.14803	2.0
177.14882	2.7
177.16342	56.2
191.14247	2.8
192.14590	6.2
193.10237	1.6
195.13739	1.7
195.17406	25.9
209.15355	2.0
210.15703	6.7
213.14873	1.5
213.18460	45.0
241.09818	1.4
300.36127	1.6
309.18295	2.7
329.14093	6.3
375.23471	3.2
381.27173	1.4
404.35425	1.4
507.27332	1.8
511.26685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2796
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
53.00301	0.5
55.01868	0.7
55.05254	0.8
55.05500	10.1
56.30059	0.4
57.03436	6.5
57.07059	3.2
57.07650	0.4
57.51343	0.5
57.95947	0.4
59.04980	1.0
60.41556	0.4
61.02901	0.7
66.36651	0.4
67.05493	6.4
69.03414	24.0
69.07053	15.8
69.45295	0.4
71.04982	4.2
71.08620	0.6
79.05476	6.2
81.03397	2.6
81.07033	20.9
83.04958	1.1
83.08604	11.1
85.02893	18.6
85.06535	4.5
87.04443	11.2
91.05469	3.5
93.07024	13.5
95.04938	1.0
95.08579	34.2
97.02879	15.8
97.06510	1.2
97.10152	8.1
99.04419	0.7
99.08070	16.9
99.09519	0.5
103.03857	0.5
105.07019	4.3
107.08574	35.4
109.02874	2.4
109.10143	12.4
110.50534	0.5
111.08073	5.5
111.11691	0.8
113.09616	2.8
115.03908	12.2
119.08568	2.4
121.10115	52.6
123.11680	3.4
125.09609	6.5
127.03912	2.9
131.08530	0.9
133.04944	7.5
133.10109	2.8
135.11664	10.9
137.05942	0.6
137.09587	2.0
137.13232	6.8
139.11166	1.9
141.06912	0.5
145.04935	2.1
145.10083	1.1
145.90135	0.7
147.11710	1.0
149.13202	4.5
161.13257	0.8
169.10045	0.6
175.14838	0.8
177.16345	100.0
181.04924	2.1
189.09126	2.1
191.38310	0.6
195.15671	1.2
195.17406	23.2
213.18448	26.8
237.02657	0.6
291.26920	1.0
295.10080	0.9
327.19363	1.0
345.20703	1.0
453.29385	1.0
471.30576	0.9
507.25635	0.8
507.32959	1.1
509.99030	0.6
526.34167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27377	1.2
53.00293	1.6
53.03928	1.8
55.01863	2.2
55.05501	21.7
56.80973	1.5
57.03418	11.3
57.07058	7.4
57.22965	1.5
59.04996	1.6
61.02909	2.3
64.99605	1.6
67.05486	24.4
69.03412	33.5
69.07050	59.0
71.04975	10.1
72.21037	1.6
72.96130	1.3
73.02895	10.0
73.48317	1.4
79.05459	21.1
81.03397	11.1
81.07035	82.5
83.04970	7.1
83.08600	19.7
85.02892	31.9
85.06534	30.5
87.04459	8.9
91.05459	10.3
93.07014	54.2
95.04945	14.2
95.08583	100.0
95.09200	3.6
95.15912	1.5
97.02857	22.6
97.06533	11.9
97.10149	10.8
99.04421	3.7
99.08028	13.1
103.05457	1.8
105.07030	14.5
107.08574	62.4
109.02827	2.2
109.06506	3.7
109.10136	47.3
111.04466	2.6
111.08048	7.6
111.11710	1.5
113.02312	1.5
113.09647	13.0
115.03919	9.5
117.06982	1.9
119.08556	10.2
121.02981	1.9
121.06494	3.4
121.10115	98.4
123.11681	10.0
125.09611	10.4
127.03925	9.0
131.08531	3.5
133.04929	3.7
133.10091	10.8
135.07988	2.0
135.11665	22.8
137.05959	2.5
137.09586	12.2
137.13234	18.1
139.11125	7.0
140.08238	1.9
143.08572	3.0
145.04941	2.0
145.10092	6.4
146.97920	1.9
147.11668	6.4
149.09660	2.5
149.13249	8.1
157.10132	2.7
159.11673	6.1
161.13261	2.3
163.03864	2.7
165.09048	4.0
167.14342	1.7
171.11563	1.7
175.14818	2.1
177.16338	94.4
181.04912	2.1
193.15875	1.9
195.11685	1.9
195.17404	51.1
213.18394	15.3
271.21060	2.2
309.27576	2.1
325.69269	1.7
327.19427	10.9
336.97449	1.9
341.00180	1.6
345.20453	12.4
463.32733	3.1
474.89230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05486	1.8
57.03426	0.5
57.07060	0.5
61.02897	0.4
63.60784	0.3
67.05496	5.6
69.03416	2.3
69.07052	4.1
71.04959	0.8
72.37106	0.3
73.02912	0.4
79.05470	3.0
81.03392	1.3
81.07029	9.1
81.07471	0.5
83.04949	1.3
83.08596	1.4
83.62318	0.3
85.02877	3.1
85.06522	1.8
91.05457	2.2
92.08752	0.3
93.07015	5.3
95.04941	0.5
95.08582	6.4
97.02867	1.7
97.06525	1.3
97.10147	0.3
98.97524	0.3
105.07014	2.5
107.08575	6.7
109.02811	0.5
109.06486	1.7
109.10140	7.9
111.08054	0.7
117.07002	0.7
119.08557	2.6
120.08086	0.5
121.06478	1.3
121.10131	3.9
123.04425	0.5
123.08060	1.4
123.11676	1.9
125.05966	0.4
125.09575	0.5
127.03857	0.5
129.06975	0.4
131.08524	1.6
133.10089	1.9
134.57576	0.3
135.08047	0.5
135.11670	16.8
137.05923	0.5
137.09598	2.0
137.13214	0.4
143.08527	1.6
145.02841	0.4
145.10077	1.8
147.08043	1.3
147.11636	1.5
149.09570	0.7
149.13252	1.3
151.03940	0.3
151.07498	1.5
155.08513	0.7
157.10150	0.7
159.07993	0.7
159.11658	1.3
161.09592	2.5
161.13211	0.4
163.14711	0.4
165.09088	0.5
167.07126	0.4
169.10091	0.4
171.07930	0.4
171.11720	0.4
173.09521	0.6
175.07516	0.7
175.14658	0.5
177.09059	4.0
177.16328	0.4
181.04956	0.5
187.07472	0.4
189.09071	9.4
191.10565	0.7
193.10085	0.5
195.17462	0.4
197.13246	0.4
199.07503	0.4
199.11156	0.6
207.11716	0.6
209.13208	0.6
211.11073	0.5
213.18405	0.4
225.12715	0.5
237.02750	0.7
257.18918	8.2
265.15906	2.4
267.17401	1.9
267.34229	0.4
285.18433	100.0
286.18677	1.3
291.17142	0.5
291.26733	0.5
299.79382	0.3
309.18381	2.1
309.24057	0.5
327.19464	16.3
345.20532	29.5
390.30914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.28823	0.4
55.01860	0.8
55.05497	2.7
57.03427	2.2
57.65208	0.6
60.74725	0.5
61.02898	2.2
67.05484	2.4
69.03409	8.0
69.07060	1.3
73.02883	0.6
79.05456	3.1
81.03390	3.6
81.07034	6.9
83.04965	5.2
85.02884	17.3
85.38515	0.5
86.64957	0.6
87.04429	0.6
90.04375	0.6
91.03943	1.0
91.05446	3.1
92.64064	0.6
93.07018	7.5
95.04938	1.1
95.08576	6.7
97.02870	6.2
97.06502	15.7
100.27928	0.7
105.06998	8.6
107.04932	1.1
107.08588	4.6
107.93747	0.6
109.02863	0.9
109.06508	10.5
109.10172	1.4
111.08101	1.0
117.06984	2.4
119.08542	5.1
121.06481	10.1
121.10101	3.3
123.08037	10.0
127.03907	2.8
129.06981	2.9
131.08522	5.5
133.06493	2.6
133.10094	5.0
135.08025	2.4
135.11658	1.1
137.05933	1.1
137.09546	0.7
139.07481	0.9
141.06987	0.8
143.08514	5.6
145.02809	1.2
145.04991	1.0
145.10110	7.4
147.04405	0.7
147.08018	3.4
147.11661	3.8
149.09615	4.7
151.07504	2.5
155.08534	2.6
156.09273	0.8
157.10120	7.5
159.08051	0.8
159.11659	5.8
161.09575	1.4
163.11079	1.4
165.09114	0.6
169.09982	4.9
171.11652	4.4
173.09602	4.8
173.13193	1.3
175.11160	4.8
175.14708	0.8
177.09061	1.0
177.12737	3.8
178.58987	0.7
181.04906	0.7
181.10075	2.9
183.11636	3.7
185.09616	1.2
185.13223	4.3
187.11171	1.0
187.14856	0.7
189.12762	2.7
191.10724	0.7
195.10121	1.2
195.11700	4.1
197.13231	2.8
199.11157	3.4
199.14844	2.5
201.12654	1.1
203.10727	0.7
203.14326	1.0
207.11617	2.5
209.13177	3.0
211.11255	0.7
211.14806	3.4
213.12714	1.2
213.16431	1.0
215.14177	0.8
221.13333	1.3
223.14742	5.6
225.12712	2.9
225.16159	0.6
227.14220	0.7
229.15849	1.0
231.13712	0.7
233.93782	0.7
237.16315	1.2
239.14183	1.1
239.17931	0.9
241.15770	3.5
251.17834	0.9
253.15685	0.8
253.19476	1.2
263.17859	3.7
265.15802	1.0
267.17441	2.7
269.18985	3.0
281.18930	18.4
287.16284	1.1
291.17407	2.9
299.16568	1.1
299.19998	27.0
299.23291	1.3
309.18375	8.7
327.19550	9.1
345.20517	100.0
403.82959	0.6
507.25330	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	507.2587
Annotation	Ajugapyrin A
Peak:m/z	Relative Intensity
52.80101	1.6
54.82335	1.8
55.05510	2.5
55.88832	1.5
67.05462	4.7
67.84245	2.0
69.03403	4.0
69.07042	3.6
69.90910	1.7
71.28343	1.6
73.02899	2.0
79.05479	3.9
81.07035	4.8
84.35818	1.7
85.02869	10.6
86.09666	2.1
91.05446	4.5
91.27692	2.2
93.07003	9.6
95.08569	10.5
97.02857	3.8
97.06483	3.2
99.08041	2.2
105.07001	18.4
107.04958	2.6
107.08567	13.5
108.36935	2.2
109.06496	5.0
109.10155	2.1
117.06985	3.6
119.08556	9.9
121.06474	2.8
121.10126	2.4
127.30682	1.9
128.70255	2.0
129.07001	2.5
131.08545	30.6
133.06429	2.7
135.08018	13.9
141.06932	2.9
143.08560	11.0
144.76982	2.2
145.10091	14.0
147.08032	2.2
149.09563	3.6
155.08554	10.3
157.10123	7.6
158.07274	2.9
159.08026	21.0
167.08485	2.4
169.10175	2.8
171.08000	4.1
173.09578	29.6
181.10089	9.5
183.11699	2.9
185.09496	3.4
191.08472	2.8
193.10193	7.7
195.11627	3.9
197.09607	2.9
197.13248	2.6
199.11151	5.1
205.10062	7.3
206.10953	2.5
207.11630	11.1
209.09531	2.4
209.13287	3.9
209.55774	2.4
211.11234	3.2
213.12749	2.8
218.10822	2.6
221.13216	4.5
223.11259	2.4
223.14830	4.2
225.12708	9.3
231.11568	3.4
233.13159	4.1
236.11954	3.5
237.12787	2.5
247.14760	4.1
249.12639	2.3
249.16243	2.3
250.13455	16.2
251.14264	26.4
265.15799	35.6
267.17371	9.1
273.16272	4.4
276.14966	4.7
279.17291	2.3
281.18921	9.8
286.59140	2.4
291.17413	17.3
294.16107	2.8
309.18417	55.9
327.19473	54.5
340.35846	2.1
345.20538	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	507.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
55.01860	2.1
55.05503	6.1
57.03426	1.6
60.27444	1.0
61.02930	1.3
67.05483	4.3
69.03407	8.1
69.07030	1.1
70.06551	1.2
71.04982	1.2
79.05463	4.5
81.03372	2.0
81.07033	8.2
83.04949	8.1
84.08128	1.0
85.02884	12.6
85.06499	1.4
85.75217	0.8
87.04427	4.1
91.05458	8.5
93.07033	6.5
95.04950	2.2
95.08575	5.3
97.02872	3.6
97.06496	8.6
101.05984	8.1
105.07013	13.3
107.04916	1.9
107.08556	4.1
109.06513	5.1
109.10133	1.6
115.03950	1.2
117.06998	4.1
119.04945	6.7
119.08562	11.1
121.06475	17.5
121.10130	4.6
123.08050	5.4
128.06175	1.6
129.06973	4.6
131.08549	12.5
133.06465	1.6
133.10106	6.5
135.08037	6.0
137.05971	4.2
137.09624	4.6
141.06975	1.6
142.07777	6.1
143.08528	28.9
143.94487	1.1
145.06461	1.4
145.10094	16.3
147.04420	8.1
147.08020	6.3
147.11667	1.7
149.05945	1.2
149.09650	1.3
154.07857	1.1
154.19704	0.9
155.08521	5.7
157.10103	15.9
159.08121	1.6
159.11652	5.9
161.09610	3.9
162.20671	1.0
163.11099	1.2
167.07048	1.2
167.08505	2.0
169.10107	15.3
171.08028	1.5
171.11684	3.8
173.09590	5.4
173.13243	1.2
175.03879	8.7
175.11095	1.5
176.04239	4.5
179.06935	1.0
179.08580	1.7
179.10629	1.9
181.04958	1.3
181.10062	3.7
182.10934	1.3
183.11659	16.0
185.09598	6.5
185.13168	2.1
187.11162	10.4
193.10117	4.0
194.10864	1.5
195.11665	6.4
197.11583	1.0
197.13261	4.8
199.11359	1.3
199.14844	1.3
203.10609	5.6
206.10867	1.5
207.06509	5.8
207.11731	4.4
208.12468	1.5
209.13182	8.6
211.11232	1.8
211.14795	3.6
212.11938	2.4
213.12822	1.2
219.11801	1.1
221.13251	2.3
223.14835	5.0
224.11940	1.8
225.12712	1.7
225.16356	3.7
226.13451	6.0
227.14212	15.7
231.13971	1.2
233.13156	1.6
235.14795	2.1
237.12779	1.9
238.13635	1.0
239.14224	13.7
241.15840	15.4
249.16344	5.9
250.17107	1.4
251.09070	24.2
251.14317	5.3
252.09451	15.4
252.15141	1.4
253.15839	4.8
263.14136	1.4
265.15741	1.3
267.17352	13.0
268.18222	5.7
269.15268	11.2
269.18829	4.0
273.16327	1.7
279.17276	1.4
281.15244	1.8
281.18982	1.3
285.18481	1.1
291.17352	5.7
296.17551	1.7
297.18771	1.1
309.18399	23.8
312.17181	1.8
327.19476	100.0
328.19659	1.8
345.16547	1.6
345.20502	17.4
506.23059	1.1
507.24078	2.1
507.31226	1.8
510.93893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	34.0
55.05501	55.4
57.03423	35.9
57.07061	14.6
67.05474	12.9
69.07052	86.4
73.02924	12.4
75.04485	9.6
79.05450	22.6
80.98892	6.7
81.07027	44.5
83.08591	60.1
85.52904	6.7
89.75337	5.8
91.05416	8.7
93.07006	37.1
95.08608	26.7
97.06513	13.3
97.10154	50.0
107.08581	33.2
107.94459	6.7
109.10141	12.9
117.05457	8.9
121.10115	36.0
126.59183	6.1
135.11670	28.8
153.12784	9.8
163.14789	39.1
167.92894	6.8
181.15840	36.1
199.16898	12.1
227.16350	38.7
245.17331	7.9
255.19458	100.0
264.13959	7.4
267.97220	6.6
273.20609	10.0
283.22632	44.1
449.68982	7.6
465.33136	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	507.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20782	0.7
53.03924	1.1
55.01864	1.8
55.05497	4.3
57.03433	5.8
57.07064	1.2
57.54286	0.7
61.02909	4.7
62.08844	0.9
62.38605	0.7
67.05484	7.8
69.03409	21.2
69.07054	8.4
71.04972	1.8
73.02895	3.6
79.05476	11.5
80.49952	0.9
81.03395	7.5
81.07030	17.7
83.04957	11.8
83.08599	2.8
84.28548	0.7
85.02882	31.9
87.04467	5.8
91.03947	0.9
91.05450	7.5
92.09316	1.0
92.17542	0.7
93.07024	13.4
95.04947	3.5
95.08580	17.0
97.02864	15.0
97.06505	100.0
99.04423	3.3
105.07008	9.7
106.51765	0.8
107.04955	1.3
107.08562	10.4
109.02871	3.8
109.06487	16.8
109.10156	8.3
111.04420	3.0
115.03927	1.6
117.07003	3.7
119.08556	10.2
120.89925	0.7
121.06482	4.6
121.10107	6.2
123.08020	18.3
123.11695	3.7
127.03911	7.1
129.06963	3.6
131.08534	7.9
133.04898	0.9
133.10089	8.3
135.08020	1.6
135.11665	2.7
137.06012	0.8
137.09619	4.0
137.13214	1.0
142.07797	1.0
143.08499	9.4
145.04936	1.6
145.06377	1.0
145.10085	12.2
147.08006	1.3
147.11676	7.1
149.09608	1.6
149.13258	3.2
155.08504	3.0
157.10098	9.7
159.08012	1.6
159.11662	8.2
161.09633	3.3
161.13153	1.3
163.11182	1.8
165.06979	1.2
165.08949	0.9
167.08565	1.7
169.10133	4.3
171.11606	5.7
173.09616	3.4
173.13283	4.5
175.04109	0.7
175.11206	1.5
175.14809	3.2
177.12694	1.0
179.08492	1.2
180.09230	0.9
181.04953	1.7
181.10124	1.3
183.11664	1.7
185.09644	1.6
185.13228	8.3
187.11182	1.2
189.12653	1.5
194.03973	0.8
195.11717	4.0
197.13222	1.3
199.11105	1.8
199.14737	3.0
201.12769	1.1
203.14297	5.1
205.10007	0.8
205.12190	3.0
207.11592	1.0
208.12466	1.0
209.13232	1.4
211.14828	1.5
213.12708	6.1
223.14839	1.6
225.16420	0.9
227.14395	0.9
229.15936	1.4
231.08340	0.9
231.13680	7.6
233.13512	0.8
235.14806	1.0
237.16299	0.8
241.15825	2.7
251.14166	1.4
253.19582	1.1
263.17880	1.9
267.17426	1.3
269.15521	1.4
273.25653	1.6
280.55927	0.8
281.18961	3.7
291.17487	3.7
291.26721	1.7
299.20309	2.4
309.18396	10.6
309.27850	0.9
327.19473	42.0
329.51163	0.8
345.20493	13.1
507.25772	83.2
513.09723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	23.4
57.03422	4.9
57.07047	3.5
59.00111	3.8
60.33195	3.3
67.05486	24.1
69.07043	22.4
79.05464	10.1
81.07048	56.9
83.08618	34.6
91.05451	20.1
93.07028	52.0
95.08585	79.6
105.07013	50.6
107.08562	72.6
109.06510	7.7
109.10111	44.1
119.08559	100.0
121.10105	62.9
123.07985	7.5
123.11670	19.3
129.06931	6.5
131.08534	31.6
133.10118	51.7
135.11671	61.2
143.08626	32.7
145.10107	49.8
147.11662	32.0
149.09619	6.4
149.13252	6.1
156.09335	8.0
157.10117	30.7
159.11633	42.0
161.09532	5.0
161.13240	39.5
163.07527	19.8
163.11143	7.7
163.14786	18.4
169.10112	6.9
171.11618	26.6
173.13214	21.0
175.14812	27.1
176.15138	5.2
177.08986	5.1
177.12671	5.1
177.16348	4.9
183.11655	8.1
185.09535	6.4
185.13158	19.7
187.14732	31.3
189.16336	70.2
191.17886	10.0
197.13231	9.2
199.14751	37.0
201.16359	21.8
203.14258	5.5
203.17874	7.3
205.11908	4.6
207.17426	66.8
209.13379	4.4
211.14799	4.2
213.16388	6.1
215.10408	5.0
215.17877	8.4
216.94162	4.0
217.15834	8.5
217.19704	5.3
220.07291	4.4
223.14737	4.8
223.77727	4.1
225.16370	6.1
227.17944	7.4
233.18571	4.4
237.02652	5.3
239.17876	9.4
245.15302	26.6
253.19412	5.2
263.16367	58.8
285.18433	8.6
303.19418	19.6
344.30618	4.6
407.33197	4.8
425.34628	6.7
435.32367	8.5
443.30963	4.6
453.33591	21.6
471.34384	39.9
489.32355	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	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	23.4
57.03422	4.9
57.07047	3.5
59.00111	3.8
60.33195	3.3
67.05486	24.1
69.07043	22.4
79.05464	10.1
81.07048	56.9
83.08618	34.6
91.05451	20.1
93.07028	52.0
95.08585	79.6
105.07013	50.6
107.08562	72.6
109.06510	7.7
109.10111	44.1
119.08559	100.0
121.10105	62.9
123.07985	7.5
123.11670	19.3
129.06931	6.5
131.08534	31.6
133.10118	51.7
135.11671	61.2
143.08626	32.7
145.10107	49.8
147.11662	32.0
149.09619	6.4
149.13252	6.1
156.09335	8.0
157.10117	30.7
159.11633	42.0
161.09532	5.0
161.13240	39.5
163.07527	19.8
163.11143	7.7
163.14786	18.4
169.10112	6.9
171.11618	26.6
173.13214	21.0
175.14812	27.1
176.15138	5.2
177.08986	5.1
177.12671	5.1
177.16348	4.9
183.11655	8.1
185.09535	6.4
185.13158	19.7
187.14732	31.3
189.16336	70.2
191.17886	10.0
197.13231	9.2
199.14751	37.0
201.16359	21.8
203.14258	5.5
203.17874	7.3
205.11908	4.6
207.17426	66.8
209.13379	4.4
211.14799	4.2
213.16388	6.1
215.10408	5.0
215.17877	8.4
216.94162	4.0
217.15834	8.5
217.19704	5.3
220.07291	4.4
223.14737	4.8
223.77727	4.1
225.16370	6.1
227.17944	7.4
233.18571	4.4
237.02652	5.3
239.17876	9.4
245.15302	26.6
253.19412	5.2
263.16367	58.8
285.18433	8.6
303.19418	19.6
344.30618	4.6
407.33197	4.8
425.34628	6.7
435.32367	8.5
443.30963	4.6
453.33591	21.6
471.34384	39.9
489.32355	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	506.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
67.05491	1.1
69.07067	2.3
73.17894	0.5
79.05448	0.7
79.63015	0.4
79.69840	0.5
81.07040	2.5
91.05447	1.1
92.64896	0.5
93.07021	0.9
95.08587	2.9
105.07066	0.8
107.08585	2.3
109.10131	0.5
112.72308	0.5
119.08556	1.2
121.10145	1.1
123.11691	0.7
131.08571	0.8
133.10141	1.2
135.11755	0.8
145.10165	1.9
147.08075	0.6
147.11673	0.9
157.10103	0.7
159.11710	1.0
161.09660	0.7
169.28117	0.5
171.11618	0.7
175.14751	0.7
201.12865	0.6
225.16496	0.5
279.21069	0.8
354.03607	0.5
363.12268	0.5
368.88040	0.5
393.31686	0.6
397.31070	1.3
425.33932	3.0
447.32190	0.6
447.44357	0.7
465.33337	100.0
466.33447	0.6
483.34451	2.1
506.35590	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	506.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15496	0.2
51.42989	0.2
55.01871	0.3
55.05504	0.3
57.03432	0.9
59.04986	2.9
59.79416	0.2
64.25545	0.2
66.66460	0.2
67.05505	0.4
69.03408	2.8
69.07055	0.4
71.04984	0.3
75.11512	0.2
79.05477	0.5
81.03405	0.4
81.07027	0.4
83.04980	0.3
85.02890	2.9
86.03243	0.3
87.04449	1.6
91.05451	4.9
92.09112	1.0
93.07020	1.5
95.04963	0.4
95.08583	0.5
97.02885	2.0
97.06499	0.3
102.04697	0.2
103.05450	1.6
105.07019	1.0
107.04940	2.6
107.08577	0.8
108.05725	0.2
109.02873	0.3
109.06497	1.2
109.10139	0.3
115.03915	0.6
115.05415	4.0
116.06225	0.4
117.03359	0.3
117.06989	9.1
119.04904	2.1
119.08595	1.9
121.06473	17.0
121.10140	0.3
127.03880	0.3
129.05424	2.0
130.04108	0.4
131.04903	5.3
131.08540	1.5
132.05704	0.4
133.04929	0.9
133.06459	2.3
133.10114	0.9
134.07260	1.3
135.04391	0.5
135.08028	0.6
137.05931	1.7
137.09555	0.4
137.96321	0.3
144.05722	0.3
145.02827	0.9
145.06483	3.6
145.07558	0.5
145.10130	0.3
146.07239	49.3
147.04370	3.2
147.08041	4.6
149.05963	1.3
149.09596	5.8
150.07530	0.4
150.09970	1.7
151.07489	1.1
151.10182	0.5
159.11653	2.4
161.05914	0.5
162.06725	7.3
163.03864	0.3
163.07494	0.5
167.06985	0.4
175.03896	0.5
175.07443	0.3
175.14699	0.3
177.09064	100.0
178.09389	0.6
179.10719	0.4
181.08563	1.3
185.43346	0.2
205.15967	0.3
207.06470	0.3
210.15645	0.3
245.04634	0.3
251.09068	1.3
292.95874	0.3
343.25681	0.2
459.61145	0.2
506.23041	0.3
509.69611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01861	3.6
55.05496	0.8
56.11496	0.3
57.03419	2.2
59.04969	0.8
61.02895	1.5
68.88567	0.4
69.03417	8.4
69.07046	0.6
71.04612	0.5
71.04976	13.3
73.02876	1.5
75.04445	0.5
78.22682	0.4
79.05470	4.6
81.03383	6.7
81.07024	0.6
83.04952	2.2
85.02890	10.3
86.09673	0.4
87.04437	0.7
89.03886	0.5
89.06006	42.9
91.05461	5.3
92.08942	1.4
93.07010	0.7
95.04935	1.9
95.08572	0.8
96.08123	0.4
97.02863	24.9
99.04430	3.8
99.08082	1.6
103.03904	0.6
103.05441	7.2
105.07010	65.5
107.04970	0.6
107.08566	1.9
108.04484	4.3
108.08829	0.4
109.02847	7.7
109.06494	1.7
109.10092	1.4
111.04429	0.7
115.03912	0.7
115.04657	0.7
115.05427	12.1
116.04302	0.4
117.03352	1.8
118.04127	3.2
119.04925	4.1
119.08533	0.9
121.06499	2.7
121.10143	0.9
123.04337	0.6
123.08029	0.6
124.07562	10.3
125.02332	0.4
126.05482	0.5
127.03901	8.9
127.52192	0.4
131.04893	2.0
132.05751	0.4
133.06464	65.5
133.10086	1.7
135.06529	0.8
135.07979	0.6
135.11685	0.7
136.07539	2.0
137.06038	2.8
138.09103	1.8
143.04962	1.2
143.06017	5.0
145.02864	4.4
145.04935	5.1
145.06010	0.4
145.06476	0.4
146.01143	0.4
147.04378	5.8
147.08034	0.4
149.05963	1.6
151.07521	0.9
153.09145	0.4
161.05943	100.0
162.06551	0.6
163.03813	0.5
165.09135	0.4
167.06973	1.9
175.07516	0.5
177.05428	9.1
178.05928	0.5
179.06998	0.5
181.04843	0.4
193.08563	59.3
193.15785	0.7
205.08582	0.5
207.06499	0.8
209.08073	0.8
211.09656	0.5
211.16858	0.4
212.12743	7.3
221.08041	4.3
228.93484	0.4
228.95920	0.4
261.09616	2.4
278.12134	0.5
332.69424	0.4
355.19418	0.4
374.18115	0.6
431.97513	0.5
474.61441	0.4
505.22501	3.0
506.22876	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	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51220	0.1
53.03935	0.2
53.85258	0.1
55.01869	0.3
57.03421	0.3
61.02922	1.2
62.28520	0.2
62.98658	0.1
65.03905	0.3
69.03413	2.2
71.04981	0.2
73.02901	0.3
81.03402	1.3
85.02888	9.8
86.75049	0.2
91.03909	0.2
91.05459	4.1
96.50160	0.2
97.02876	2.7
99.04382	0.7
100.12780	0.2
109.02846	1.1
115.03898	0.2
119.04917	19.0
123.04402	1.0
127.03899	1.6
145.04907	1.6
147.04387	100.0
148.04730	0.7
150.31119	0.2
163.03935	0.4
163.05937	0.4
165.05438	27.2
180.08607	0.6
202.13493	0.2
203.07065	0.2
253.09181	0.2
263.04105	0.2
309.09686	0.8
344.13309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.05523	0.2
57.03415	1.2
59.04972	0.8
60.05296	0.2
61.02860	0.2
63.42264	0.2
65.03903	0.2
69.03407	2.6
71.04946	0.3
73.02879	0.2
81.03395	3.8
81.07022	0.3
83.04977	0.2
85.02885	3.5
85.06519	0.2
87.04443	0.2
89.03867	0.3
91.05460	6.3
95.04949	0.3
97.02869	1.9
99.04411	0.4
103.05431	0.2
105.07001	0.2
107.04922	1.1
109.02869	2.3
109.10117	0.2
115.03916	0.3
117.03352	0.9
118.06503	0.9
119.04915	19.5
119.07287	8.7
120.08113	0.2
121.06480	0.4
122.05999	0.2
123.04427	0.2
127.03883	0.9
129.06944	0.4
131.04875	0.8
133.04967	0.3
134.05995	1.6
135.04446	1.8
135.06760	0.9
136.07556	2.6
137.09602	0.2
138.09967	0.2
145.02834	2.0
145.04918	0.2
146.05986	0.7
147.04387	100.0
148.04723	0.7
150.05515	0.3
157.06390	0.6
159.04361	1.9
160.07555	0.2
161.05939	0.3
163.02504	0.3
163.03870	10.1
165.05437	5.1
167.06972	0.2
175.07565	0.3
177.05411	1.6
177.09048	0.2
178.04984	0.4
189.09050	1.6
191.06937	0.2
193.04935	0.4
194.11880	0.2
195.06470	0.4
203.07056	0.3
235.09714	1.3
252.10110	1.1
254.11752	1.5
256.09647	0.4
269.12793	3.1
270.11157	0.3
280.09390	0.3
291.08646	4.0
298.10574	0.7
307.08313	0.2
309.09619	5.9
309.13135	0.2
315.13293	5.5
373.06570	0.2
461.16962	0.7
478.19418	1.4
489.16254	0.4
506.18356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01855	0.4
55.57412	0.1
57.03418	0.7
61.02910	0.1
61.81847	0.1
63.54937	0.1
65.03915	0.2
65.29376	0.1
65.53675	0.1
69.03416	2.9
71.04960	0.2
73.02893	0.8
81.03399	2.0
85.02411	0.2
85.02890	3.5
87.04442	0.5
89.03884	0.1
91.05464	4.4
97.02876	1.6
99.04411	0.2
101.02325	0.1
109.02872	1.0
115.03885	0.4
117.03357	0.2
119.04919	16.7
121.10043	0.1
127.03901	1.4
127.43114	0.1
133.04919	0.3
145.02843	1.5
145.04991	0.4
145.41927	0.1
147.04387	100.0
148.04729	0.7
149.05937	0.2
163.03915	0.2
165.05438	3.3
167.07002	0.1
177.05412	2.9
193.04910	2.8
195.06548	1.1
239.17061	0.1
252.28323	0.1
279.88620	0.1
291.08536	1.8
309.09622	6.5
309.13217	0.2
327.10681	1.3
337.09213	0.1
488.04355	0.1
505.22357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05495	11.6
57.03415	5.5
57.07048	5.2
59.04980	1.4
59.76674	0.9
67.05487	15.4
69.03413	16.5
69.07052	19.1
71.04961	4.5
79.05450	2.5
81.07035	23.9
83.04958	10.5
83.08596	9.6
85.02879	13.5
85.06511	4.3
87.04449	5.7
91.05419	1.4
92.08752	3.8
93.07018	15.3
95.08585	36.9
97.02866	16.8
97.06487	1.2
97.10133	3.6
99.08064	9.3
105.06981	9.6
107.08570	26.5
109.02865	1.1
109.06490	9.3
109.10138	100.0
111.08041	6.7
113.09651	1.6
115.03905	2.2
119.08555	39.0
121.10113	18.2
123.08058	22.5
123.11667	12.6
125.09607	1.8
131.08511	1.2
133.04942	2.0
133.10101	33.1
135.11668	68.0
137.09578	20.1
139.11102	2.0
145.10138	2.1
147.11630	3.9
149.13261	8.2
151.11140	6.8
151.14801	10.7
153.12704	1.8
157.10114	1.3
163.03859	1.5
163.11111	1.1
165.16333	2.4
175.14792	50.3
191.14337	1.3
192.14571	1.2
193.15851	46.9
200.68904	1.1
211.16896	65.9
247.61931	1.2
279.04938	1.1
289.71289	1.0
306.24921	1.3
307.26041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01860	1.9
55.05499	8.5
57.03427	18.8
57.07056	1.0
59.04983	7.3
59.09576	1.0
59.68370	1.4
61.02913	1.0
66.71366	1.0
67.05489	7.8
69.03416	61.8
69.07045	5.7
71.04969	5.7
71.40508	0.9
73.02896	1.5
75.04447	1.8
79.05496	3.9
81.03402	8.6
81.07054	10.5
83.04952	4.0
83.08620	1.7
85.02890	47.4
85.06518	8.6
86.09692	2.1
87.04448	30.7
91.05442	8.5
93.07020	15.9
95.04945	20.3
95.08570	24.1
97.02872	41.9
99.04444	6.7
99.08069	75.1
103.63715	1.4
105.07005	6.4
107.08586	16.4
109.02841	2.4
109.06519	4.4
109.10137	22.7
111.04369	1.1
111.08059	1.6
115.03905	30.0
117.03400	1.8
119.04922	16.3
119.08551	19.6
121.06420	1.3
121.10126	7.0
123.08054	5.1
123.11667	4.1
125.09654	1.6
127.03878	6.2
130.06522	5.8
131.08563	1.2
133.04944	24.9
133.10104	45.1
135.08047	2.2
135.11656	17.9
137.09575	19.3
145.02850	9.7
145.04965	2.5
145.10103	1.4
147.04390	63.6
147.11707	1.9
148.07550	9.4
149.13277	2.0
151.11201	1.4
155.10646	15.9
157.10086	1.2
159.11613	1.6
163.03880	1.5
165.16306	1.8
167.07059	1.6
175.11174	1.1
175.14772	16.5
176.07155	1.4
177.05452	21.3
181.38644	1.2
193.04985	2.2
193.15858	22.9
195.06570	5.3
204.91095	1.1
211.16901	73.6
241.06976	1.2
325.20026	1.9
335.09430	6.4
343.21005	4.4
373.18259	1.5
387.27856	1.3
447.17929	1.4
505.22433	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	505.2638
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
54.68541	0.3
55.01857	0.4
55.05501	5.9
57.03430	1.0
57.07063	2.6
59.04991	2.5
67.05138	0.5
67.05490	13.8
69.03410	8.5
69.07052	11.7
71.04967	2.6
71.08599	1.0
79.05463	2.6
81.07035	14.1
81.07523	0.5
83.04957	8.1
83.08597	6.7
85.02876	4.4
85.06529	3.5
87.04452	0.9
87.08076	0.5
91.05451	1.5
93.07017	9.6
95.04929	1.0
95.08576	33.7
97.02861	1.8
97.06488	1.7
97.10142	2.0
99.04440	0.4
99.08068	3.1
105.06992	5.4
107.08575	24.1
109.06493	10.0
109.10134	100.0
111.08042	4.0
113.09624	1.5
115.03860	0.5
119.08551	30.5
121.10118	11.1
123.08033	13.2
123.11678	8.1
125.09619	1.0
127.03969	0.5
133.10098	22.3
135.11662	88.7
137.09587	17.6
138.10344	0.6
139.11165	2.1
147.11627	0.9
149.13239	6.8
151.11160	11.6
151.14789	13.0
153.12671	3.3
165.16341	3.8
175.14774	37.9
193.15842	49.9
211.16887	68.0
373.22159	3.0
408.00128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1915
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
50.79407	0.2
53.03944	0.4
54.19517	0.2
54.59941	0.2
55.01876	0.2
57.03430	1.0
59.04981	0.2
63.02056	0.2
63.02366	0.3
65.75368	0.2
69.03410	3.3
71.04963	0.2
75.04476	0.3
79.05476	0.4
81.03397	3.5
83.04980	0.4
85.02886	2.7
87.04482	0.3
89.03896	5.9
91.05450	0.4
92.09013	1.5
95.04945	1.0
97.02874	1.4
99.04456	0.3
99.08062	0.5
103.05463	0.3
105.07044	0.3
106.04180	0.3
107.08571	0.3
109.02869	1.4
109.06507	0.4
109.10149	1.0
114.84197	0.2
115.03893	0.4
117.03361	24.5
119.04927	0.5
119.08540	0.5
121.10082	0.2
127.03905	0.3
133.04959	0.4
133.10098	0.4
134.03557	1.6
135.04358	1.9
135.11647	0.3
136.30910	0.2
137.05963	0.4
137.09576	0.8
145.02829	75.9
146.03142	0.4
147.04414	0.3
149.05966	9.6
162.03082	0.2
163.03891	2.1
171.67297	0.2
177.05434	100.0
178.05792	0.3
189.89040	0.2
193.15858	0.9
195.06516	0.4
211.16905	0.4
296.80753	0.3
321.09622	3.1
339.10715	3.9
399.16809	0.2
505.22388	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	504.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04734	2.1
54.10891	2.2
55.05491	18.9
57.07075	2.8
63.66187	2.2
64.06543	2.1
67.03516	2.9
67.05492	41.3
69.07058	32.6
71.04980	24.0
79.05469	24.7
81.07027	50.9
83.04948	3.3
83.08590	12.3
88.05457	2.4
91.05472	22.4
93.07019	62.5
95.04945	4.2
95.08582	91.3
97.06497	10.2
105.07024	59.7
107.08572	71.4
109.06473	15.7
109.10133	48.6
110.38644	2.8
111.04382	3.5
111.07225	3.0
111.08051	4.4
115.05450	3.3
115.07547	10.5
117.06979	5.6
119.08559	100.0
121.06490	3.0
121.10108	62.5
123.08079	4.9
123.11685	15.7
126.10670	2.5
128.06094	2.5
129.06950	5.5
131.08499	25.2
133.10107	58.6
135.08029	10.3
135.11673	41.3
137.05965	4.2
137.09589	5.3
137.13275	3.7
139.11090	3.4
139.78612	2.7
143.08549	21.2
145.10098	56.8
147.08054	10.2
147.11653	45.3
149.09492	3.0
149.13220	18.9
151.07559	3.0
155.08505	10.1
157.10078	25.5
159.08138	3.5
159.11652	49.1
161.09573	11.0
161.13188	32.3
163.07550	4.2
163.11192	3.6
163.14790	16.1
167.10556	3.0
169.10092	5.5
170.10896	3.5
171.11656	18.9
173.13222	41.2
175.11139	13.3
175.14774	38.0
177.12720	5.8
177.16290	13.8
179.14352	4.5
181.49643	3.2
183.11641	12.1
185.13246	17.3
187.11189	3.2
187.14813	37.8
189.16365	30.1
191.14278	6.1
191.17908	15.5
195.11568	4.3
197.13290	12.3
199.14766	16.2
201.12706	13.9
201.16316	25.0
203.14310	6.7
203.17882	13.9
205.15817	3.4
207.13783	5.1
211.14807	4.8
213.16341	19.6
215.17932	17.8
217.15742	3.3
217.19408	6.3
227.17900	13.0
229.15701	4.0
229.19484	4.5
233.15411	5.9
235.13226	4.0
239.17899	5.7
241.19415	3.0
247.13208	6.1
249.18550	3.9
253.19455	6.7
261.18375	4.9
273.18314	3.3
293.22595	3.7
309.25629	29.3
353.24597	6.0
354.25369	3.9
355.26379	23.4
379.29880	3.8
397.31036	5.7
405.31494	4.7
411.32477	3.4
423.32681	29.4
425.30194	5.5
433.30975	5.4
441.33405	12.7
451.32422	20.6
457.32620	4.8
469.33188	98.1
487.34204	4.4
504.36441	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	504.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68270	1.4
53.54389	1.4
54.42156	1.2
55.05501	3.1
57.07064	1.8
67.05507	11.3
68.12260	1.2
69.07057	8.1
71.04985	1.7
72.87213	1.7
79.05472	9.1
81.07040	18.0
82.37177	1.5
83.08607	2.9
85.06522	1.7
91.05460	8.7
92.09355	2.7
93.05465	1.7
93.07022	16.6
95.04954	3.2
95.08588	44.1
95.79511	1.5
97.10090	2.2
105.07017	21.2
107.04913	2.2
107.08566	27.4
109.06558	2.4
109.10150	22.7
117.07020	2.9
119.08555	28.9
121.06470	12.5
121.10098	21.3
123.11674	10.1
131.08551	7.0
133.10091	24.1
135.08022	3.1
135.11681	16.5
137.09627	2.4
143.08533	7.7
145.06474	3.8
145.10109	16.6
145.59457	1.5
147.04349	2.2
147.08040	3.4
147.11641	18.3
149.09593	10.1
149.13246	6.6
155.08548	3.1
157.10129	10.7
159.11662	12.9
161.09598	6.7
161.13248	13.6
163.05797	1.5
163.14766	3.9
169.10118	3.0
170.60637	1.7
171.11670	8.6
173.09622	2.8
173.13234	12.2
175.11255	2.3
175.14780	9.1
177.12665	2.6
179.14330	3.0
181.10042	2.3
183.11693	2.3
185.13235	7.9
187.11093	3.0
187.14809	3.6
189.12737	2.4
189.16321	14.9
191.14308	3.1
195.11716	2.9
197.13177	3.7
199.11227	3.2
199.14810	2.6
201.12746	3.0
201.16449	3.0
203.14288	2.2
207.17424	3.6
211.14775	3.1
213.16324	1.8
215.14288	2.3
215.17914	2.3
225.16330	2.1
227.17874	2.3
235.14790	2.5
251.18114	1.6
253.19646	2.2
255.17422	2.6
265.19580	2.2
269.18820	2.7
277.19516	2.2
279.20837	1.7
281.86490	1.5
297.18359	9.3
297.21887	3.1
309.22021	2.3
310.48245	1.8
327.19556	3.1
337.21655	2.6
387.30469	7.6
405.31366	10.8
407.33432	2.1
415.64447	1.8
423.32565	23.8
424.32648	1.7
433.30920	15.1
441.33679	12.4
451.32108	28.1
459.57095	1.6
463.31775	3.2
469.33090	100.0
476.91208	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	504.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31715	1.7
53.00285	3.5
55.05503	15.9
57.07052	2.4
67.05481	23.3
69.07056	29.0
71.04974	45.9
79.05460	13.5
80.06078	2.9
81.03454	2.3
81.07035	56.1
83.08586	9.9
91.05444	17.5
93.07015	40.6
93.94324	2.1
95.04941	3.8
95.08576	100.0
97.06499	5.2
97.10133	5.2
105.06998	50.8
107.08575	57.8
108.08920	2.6
109.06483	4.7
109.10131	41.4
111.08033	3.1
113.05937	2.6
115.07549	29.1
117.06976	11.3
119.07713	3.2
119.08553	87.3
120.08836	3.3
121.10117	79.5
122.10479	3.5
123.08003	5.1
123.11658	12.5
125.09586	3.1
129.06981	3.7
131.08522	24.3
133.10097	57.2
135.07993	2.9
135.11670	32.5
137.09566	2.3
137.13211	2.3
139.07468	2.7
143.08527	14.9
145.10095	36.1
147.11696	27.1
149.09572	2.3
149.13210	14.6
153.09071	2.9
155.08556	5.4
156.09264	2.7
157.10077	24.2
159.11650	31.5
161.09579	2.8
161.13234	26.0
162.24733	2.1
163.14754	16.2
165.12656	2.8
167.10641	4.0
169.10095	9.5
171.11664	18.0
173.13217	27.0
175.11093	2.5
175.14766	33.5
177.16344	17.7
181.12262	2.4
183.11650	8.1
185.13194	12.4
187.11093	3.1
187.14763	30.6
189.16345	18.5
191.17862	2.7
197.13159	16.4
199.14720	16.2
201.16350	24.1
203.17931	8.9
211.14638	4.7
213.16368	29.0
214.17072	2.8
215.14400	3.4
215.17896	14.2
217.15749	5.0
221.15302	2.8
223.14700	3.9
227.14301	2.5
227.17870	4.0
229.15881	2.4
229.19421	9.5
230.95731	2.5
231.17613	2.6
233.15286	2.7
237.16365	2.6
239.17938	9.9
241.19490	3.2
244.17635	2.5
247.16844	3.2
249.18489	2.8
253.19466	4.1
261.18301	5.0
275.20047	4.5
293.22595	3.2
309.25693	45.9
355.26242	54.2
395.28821	2.7
405.31863	5.2
423.32513	25.8
425.30267	5.5
433.31015	4.9
433.68597	2.8
441.33337	11.4
451.32275	21.3
468.31744	3.7
469.33066	88.0
470.33389	2.5
486.32434	3.6
487.33914	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	504.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91393	1.9
55.01854	4.1
55.05503	21.8
55.92358	2.3
57.07059	5.0
67.05496	29.8
67.54705	1.9
69.07053	23.2
71.04951	3.4
72.57328	2.6
73.56563	2.1
79.05465	17.6
81.07031	56.0
82.07377	2.7
83.08591	13.0
87.56019	2.9
91.05465	22.5
92.09296	4.5
93.07014	54.9
93.39944	2.2
95.04928	5.3
95.08004	4.2
95.08581	92.2
97.06504	8.7
97.93521	2.3
99.08074	2.8
100.11211	4.1
105.07010	62.6
107.08570	100.0
109.06480	9.9
109.10154	44.3
111.08063	5.7
112.48498	2.2
117.07000	12.6
119.08547	87.5
121.06487	2.5
121.10120	60.4
123.08052	11.2
123.11708	19.1
125.09640	2.3
129.06960	5.3
131.08543	28.4
133.10089	57.9
135.08020	4.1
135.11658	56.0
137.09502	2.8
137.13220	3.4
139.07515	3.4
143.08540	21.6
144.09297	2.4
145.10089	58.9
147.08052	4.6
147.11665	32.5
149.09563	4.0
149.12181	2.6
149.13206	24.4
151.11176	2.8
153.09096	4.0
155.08479	10.0
156.09320	4.2
157.10098	25.8
158.10805	2.8
159.07983	4.5
159.11662	56.5
161.09566	9.5
161.13235	37.3
163.11162	3.0
163.14787	35.7
169.10086	14.0
171.11627	25.8
173.09607	13.1
173.13260	34.2
175.11125	4.8
175.14772	29.7
177.12689	5.3
177.16333	12.9
179.14249	16.3
181.09999	4.2
183.11659	13.1
185.13170	20.8
187.11089	3.8
187.14760	30.5
189.16344	29.8
191.14304	17.2
191.17923	13.3
193.10136	3.1
193.15820	2.6
195.11696	3.7
197.13228	13.5
199.11143	2.7
199.14793	16.3
201.12697	5.8
201.16379	21.5
203.10541	3.7
203.14293	14.7
203.17850	16.5
205.15828	4.9
207.17372	4.4
211.14830	5.3
213.12578	3.8
213.16386	10.1
215.14323	8.6
215.17856	9.0
217.12172	2.9
221.13226	3.6
223.14833	4.4
225.16330	4.6
227.17897	10.6
235.16942	3.0
239.17929	3.6
241.19432	10.6
243.17354	3.7
247.16904	3.6
251.17877	3.5
253.19490	2.6
255.17331	4.3
255.21132	2.9
269.18964	9.1
291.20804	5.7
309.21909	4.8
315.19418	9.8
387.30209	3.9
405.31775	24.6
421.57965	2.9
423.32700	39.4
433.30988	17.8
441.33725	40.5
451.32147	46.2
469.33411	48.8
486.32813	10.1
487.34518	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	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.6
53.03931	0.6
55.05257	0.7
55.05503	10.4
55.91679	0.4
56.05825	0.5
57.03425	3.4
57.07070	0.5
59.04199	0.3
61.82843	0.4
65.03902	0.4
67.05493	4.9
67.97514	0.4
69.03416	8.1
69.06709	0.7
69.07053	12.8
70.06572	3.8
72.33767	0.4
75.83134	0.5
79.05477	6.4
81.03380	0.5
81.06598	0.9
81.07038	13.2
83.04532	0.4
83.04949	3.9
83.08611	3.1
84.05310	0.5
85.02874	3.8
87.04433	4.0
91.05455	26.5
92.09287	0.6
92.65076	0.5
93.07025	10.0
95.04927	2.7
95.08578	15.9
96.82954	0.4
97.02850	4.6
103.05434	2.4
104.06224	0.8
105.07009	37.8
107.08578	12.9
108.08105	0.6
109.06502	0.9
109.10150	2.1
111.04406	5.5
115.03922	5.5
115.05424	0.6
117.06983	6.8
119.08556	100.0
121.10140	4.3
123.11722	0.6
129.05446	3.6
131.08527	4.6
133.04929	4.7
133.10100	51.2
135.11685	1.0
145.10085	4.0
146.10849	1.1
147.11655	10.6
150.07642	0.7
157.10008	0.5
159.11673	0.7
160.12457	1.9
173.13269	1.6
175.14780	53.1
192.17445	8.0
193.15858	1.9
217.15742	0.5
259.08252	0.6
450.73370	0.5
513.21747	0.5
531.72906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01859	1.8
57.03426	7.2
57.07061	1.8
59.04985	5.3
61.02916	9.3
67.05184	1.0
67.05492	14.6
69.03413	36.7
71.04983	9.3
72.41299	0.6
73.02891	4.7
79.05470	1.5
81.03397	7.0
83.04963	1.5
85.02889	100.0
85.06525	7.2
87.04470	6.1
87.95769	0.8
91.03929	4.9
95.04945	38.6
97.02872	27.5
97.06513	11.8
99.04406	5.4
103.03936	1.4
109.02866	10.9
111.04440	3.1
113.05988	75.7
127.03896	21.0
127.07524	0.8
145.04938	29.4
145.08580	11.1
149.46355	0.8
163.05960	11.0
189.07570	3.5
239.09109	1.2
257.10080	5.1
259.95572	0.8
275.11163	3.6
289.08896	1.0
325.11215	12.6
449.45654	0.9
495.83194	0.8
503.82877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
56.50975	0.5
57.03422	1.7
64.33688	0.4
67.05487	1.9
69.03401	3.9
69.07034	1.1
71.04996	0.5
74.08366	0.5
76.74669	0.4
79.05490	0.9
81.03381	0.5
81.07034	2.7
83.04958	0.7
83.08622	0.5
85.02887	5.7
87.04432	1.8
89.03851	0.6
91.05467	3.4
93.07005	1.9
95.04944	0.8
95.08579	1.0
97.02879	2.0
105.07027	3.8
107.04927	1.0
107.08601	1.8
109.06538	0.6
109.10150	1.8
115.03909	1.7
115.05418	1.0
117.06976	2.0
119.08556	1.9
121.06466	2.5
121.10145	1.9
123.08014	0.6
123.11665	0.6
123.59746	0.5
127.03897	0.9
129.03375	0.5
131.04871	1.8
132.05655	1.7
133.04977	0.7
133.06464	7.6
133.10138	0.8
135.04337	0.9
135.08040	0.8
135.11716	0.6
136.08325	0.6
145.06458	1.0
146.07228	1.0
147.04416	0.7
147.08034	3.6
149.05963	2.7
150.05492	0.7
151.07536	5.6
157.10051	0.5
159.07979	0.5
160.05150	0.9
161.05948	32.3
162.06627	1.9
163.03841	4.7
163.07504	2.8
164.08281	0.8
171.11597	0.6
175.07523	6.8
175.11140	0.6
176.08292	100.0
177.05408	6.6
177.09065	5.9
179.10623	1.1
191.06973	0.7
191.14288	1.9
192.07790	5.8
192.14552	1.0
207.10130	73.6
208.10489	0.5
215.08189	0.8
218.29091	0.5
243.07689	0.8
262.64691	0.6
424.52481	0.5
527.19818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01857	1.5
57.03428	8.9
57.07051	1.4
59.04985	10.3
61.02917	10.5
65.03918	1.0
67.05491	13.9
69.03413	28.7
71.04974	10.6
73.02891	4.7
81.03404	6.5
83.04957	1.2
84.63524	0.7
85.02888	100.0
85.06528	8.7
87.04439	9.5
91.03947	5.2
92.08782	1.5
92.09286	1.0
95.04942	39.8
97.02872	31.8
97.06506	6.1
99.04447	4.8
101.02310	0.8
101.06000	2.8
109.02878	9.5
111.04524	0.7
113.05986	78.5
115.03922	1.0
127.03890	22.8
133.29865	0.6
145.04939	25.0
145.08585	25.1
163.06000	11.0
166.58388	0.6
175.74568	0.7
189.07489	1.5
251.88403	0.8
257.10056	2.9
275.11179	1.0
289.08829	0.9
325.11200	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	504.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80651	0.8
53.03935	2.0
53.65858	0.8
55.01864	3.7
56.44318	0.8
57.03431	12.0
57.07072	2.2
58.02934	0.7
59.04989	4.2
61.02912	10.8
64.12804	0.9
67.05488	21.2
68.74647	0.8
69.03413	63.3
71.04974	10.7
73.02893	5.0
75.04047	0.9
75.04465	1.1
79.05460	4.8
81.03397	10.0
83.01328	1.6
83.04975	4.6
85.02888	100.0
85.06535	5.5
86.03236	1.6
86.09686	59.3
87.04445	12.1
87.10031	15.1
91.03925	7.7
95.04946	60.1
97.02867	35.9
97.06505	19.4
99.04438	7.8
101.05935	1.0
103.03930	4.4
103.44442	0.9
109.02851	11.2
109.06519	0.9
111.04417	2.2
113.05987	95.4
113.31083	0.9
113.61361	1.0
114.36668	1.1
115.03918	6.7
127.03895	28.8
127.07634	1.0
132.10179	18.3
133.04993	4.4
133.10503	4.3
136.06140	1.8
137.05927	1.0
145.04927	27.9
145.08569	1.9
163.06006	13.6
189.07556	3.9
239.11380	1.1
257.10153	4.4
275.11099	1.8
289.09201	1.4
307.09894	1.1
325.11264	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	504.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01861	2.2
55.05502	1.7
57.03427	22.7
57.07055	1.8
59.04980	7.6
61.02904	7.5
67.05495	11.9
68.17599	1.0
69.03414	68.1
69.07059	8.1
70.03741	2.3
71.04970	7.6
75.04453	4.4
77.48630	1.1
79.05458	2.5
81.03410	8.1
81.07032	5.5
83.04916	1.8
83.08559	1.1
85.02889	100.0
85.06512	6.5
86.03237	4.4
87.04448	30.5
87.73808	1.0
88.04768	1.9
89.79067	1.2
91.03940	2.6
91.05467	1.9
93.07011	5.5
95.04947	32.6
95.08565	4.7
97.02868	46.7
97.03489	1.8
97.06511	6.5
98.03211	5.0
99.04442	1.6
105.06999	1.9
106.36260	1.1
107.08581	5.0
109.02847	8.0
109.06503	5.0
109.10137	1.6
111.04427	2.5
113.05985	48.9
114.64751	1.1
115.03909	21.7
116.04240	1.7
119.08570	5.2
121.06492	1.5
121.10085	2.2
122.07281	1.8
123.08055	13.3
124.08376	2.0
127.03889	18.0
133.04941	13.6
133.10147	1.9
134.05301	1.3
135.08032	18.6
135.11653	1.8
136.08354	5.2
145.04912	21.6
145.08557	10.3
145.10175	1.4
145.16078	1.1
147.11621	1.8
149.13123	1.3
163.05978	6.4
165.12718	9.3
166.13031	2.1
173.13213	1.3
174.13560	1.2
175.14734	1.7
175.49922	1.2
191.14259	25.7
191.53290	1.2
192.14633	11.0
193.15897	5.2
194.16277	1.5
207.13742	1.2
209.15398	2.3
244.84076	1.1
257.10110	2.6
289.09015	1.3
304.05692	1.2
325.11337	8.8
503.24789	14.4
504.25024	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	504.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.8
53.04141	1.6
53.81203	1.6
54.82044	1.4
55.01859	2.3
55.05503	53.9
57.03417	10.6
57.60794	1.6
59.04988	100.0
59.92648	1.4
61.02903	8.8
62.89939	1.4
65.26141	1.4
67.05480	6.2
69.03413	53.6
69.07045	7.6
70.03762	1.9
70.06575	1.9
71.04970	9.1
73.02905	3.6
77.10032	1.5
79.05466	7.1
81.03393	46.8
81.07024	3.8
83.04963	79.6
83.69151	1.9
85.02887	73.7
87.04443	4.0
91.05456	20.8
93.07041	12.3
93.58791	1.5
95.04929	4.1
95.08585	10.2
97.02869	93.5
97.06507	17.1
99.04417	14.0
101.05997	66.2
103.05438	1.9
105.07008	10.3
107.04899	2.3
107.08568	10.3
108.04420	2.1
109.02854	37.0
109.06485	2.5
109.10143	6.8
111.04382	6.3
115.03905	4.0
116.98588	2.0
117.03368	4.1
119.04932	32.3
119.07034	18.4
119.08560	8.5
121.10084	7.8
123.04385	1.5
123.08043	3.6
127.03888	44.5
131.04880	1.6
131.08588	5.8
133.04976	1.7
133.06458	2.1
133.10101	48.2
134.10468	10.1
135.08029	2.8
135.11635	2.5
137.05925	3.0
137.09618	3.8
145.02826	31.0
145.04918	25.2
145.10112	3.3
147.04384	39.3
147.08006	2.7
147.11665	7.2
148.12032	2.0
149.06041	2.6
149.09564	1.8
151.03932	1.9
151.11206	3.2
161.05952	2.8
163.03851	12.4
167.06967	11.6
173.02333	6.7
173.06039	2.2
173.13203	7.1
175.03880	51.1
175.07565	2.3
177.05429	33.4
179.06979	1.8
181.04956	1.7
185.13184	2.1
187.05936	6.8
187.07536	1.7
189.05417	1.7
191.14172	17.1
192.04100	12.2
192.14590	3.4
193.08562	3.4
205.07057	2.3
207.04526	3.9
207.06496	98.1
209.15289	7.8
210.15747	2.9
215.07025	10.2
221.08028	3.1
225.07504	26.5
227.09129	7.9
239.07063	2.0
245.10179	31.8
249.07651	2.5
259.09595	22.6
263.11267	4.0
269.45081	1.9
271.09689	2.5
283.25839	2.2
306.28241	1.6
315.08710	2.3
330.09805	3.2
339.10770	2.2
503.20621	2.3
504.13913	2.8
504.20053	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	503.3365
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
51.28933	4.0
55.05505	9.1
57.07062	6.3
57.41729	3.7
62.03150	3.4
67.05486	23.2
68.09202	3.8
69.07059	9.5
71.04996	4.2
73.44270	4.3
76.56502	4.1
79.05455	17.9
81.07036	37.7
83.04969	4.7
83.08575	4.2
83.17873	3.6
90.04928	4.0
91.05462	24.7
92.09143	8.2
93.07026	50.2
95.08591	85.0
97.06529	6.0
105.06998	42.8
107.08591	59.3
109.06494	9.4
109.10145	47.0
111.08076	6.6
113.05952	4.3
117.07005	8.6
119.08562	72.8
121.06514	5.9
121.10132	100.0
123.08070	22.6
123.11691	21.0
129.06984	6.4
131.08543	28.2
133.10129	50.2
135.08070	15.5
135.11671	30.6
137.09639	6.8
142.07851	7.3
143.08528	21.1
145.10112	31.0
147.08022	5.7
147.11659	30.5
149.13246	10.6
153.09126	7.0
157.10072	31.7
159.08023	6.0
159.11671	20.4
161.09485	5.9
161.13274	16.8
163.11121	4.9
163.14786	9.6
171.11650	16.8
173.09659	4.7
173.13252	28.2
175.11195	21.1
175.14818	27.4
177.16383	6.0
179.82468	4.7
180.06532	5.3
185.13190	17.6
187.11186	4.9
187.14798	28.0
189.12749	5.9
189.16408	17.6
191.14212	5.0
193.12244	8.9
197.13187	6.8
199.14786	6.1
201.12775	7.5
201.16411	9.3
203.14326	6.4
215.17682	4.5
245.75494	5.1
257.22589	7.7
263.16678	5.3
303.23022	17.5
421.31317	31.5
439.32080	16.2
449.30194	6.4
467.31564	40.6
485.32611	73.7
503.27469	5.5
503.33606	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
55.05502	3.0
56.96540	1.6
57.03428	14.3
57.07063	9.3
64.95197	1.2
65.03923	8.3
67.05490	74.4
69.03413	67.5
69.07027	3.2
71.04970	24.5
79.05482	6.0
81.07037	12.2
83.04959	12.4
85.06530	10.5
91.05431	4.9
93.07047	9.6
95.04942	79.2
95.08599	11.1
105.06980	14.8
107.04987	2.1
107.08576	11.3
109.06480	2.3
109.10159	7.1
113.05985	100.0
119.08545	13.8
121.10091	10.4
123.11645	1.7
125.05991	12.7
129.07010	1.7
131.08534	6.1
133.10103	8.6
135.08066	1.8
135.11661	6.3
143.08549	2.1
145.10101	9.5
147.11671	8.9
149.13367	1.6
153.05458	8.1
155.07010	3.1
155.08574	1.5
157.10086	2.3
159.11652	10.7
161.13197	2.0
164.15393	1.3
169.10051	2.0
171.11665	1.8
173.09752	1.9
173.13196	2.5
175.14847	5.6
181.09991	1.5
183.11674	1.7
185.13301	3.2
187.14758	2.8
189.16344	3.1
195.11584	1.5
197.13277	2.0
199.14819	3.0
201.16368	5.4
203.07378	1.4
211.14989	1.4
215.17957	3.1
229.12015	1.7
253.19542	1.7
255.13425	1.6
291.20953	1.6
337.21487	15.6
355.22568	23.7
373.23657	34.0
411.17902	1.5
485.32837	1.8
503.33527	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	503.2484
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03924	1.8
55.01859	2.6
55.05493	7.2
56.86250	1.0
57.03425	14.4
57.07042	1.9
59.04984	2.6
60.23379	1.2
61.02906	6.5
62.20277	1.1
63.13195	1.2
67.05488	7.1
69.03413	55.6
69.03988	1.5
69.07053	12.1
71.04962	3.3
73.02895	1.5
79.05467	9.2
80.65207	1.2
81.03400	11.4
81.07025	17.8
83.04974	13.5
83.08595	5.3
85.02415	2.7
85.02888	47.9
85.06534	7.2
86.09683	9.4
87.04450	6.8
88.37196	1.5
91.05440	11.7
93.07021	13.0
95.04945	8.5
95.08582	23.8
97.02868	44.8
97.06510	3.3
98.97549	2.9
99.04398	2.2
105.07035	18.0
107.04948	2.0
107.08575	35.7
109.02854	7.7
109.06508	21.4
109.10123	3.0
111.08047	8.3
115.03916	10.3
116.98588	2.3
117.03355	2.0
117.06998	2.2
119.08566	21.4
121.06465	7.5
121.10120	30.1
123.08044	9.9
123.11687	7.7
124.07575	1.6
125.09591	30.3
127.03891	8.0
129.07018	3.4
131.08542	22.6
133.04985	2.6
133.06459	2.8
133.10107	16.3
135.08035	32.9
135.11681	12.8
137.05994	2.8
137.09592	3.0
143.08554	8.1
145.02852	11.7
145.04956	6.1
145.06387	1.9
145.10104	14.6
147.04404	7.0
147.08029	3.1
147.11661	10.7
149.05972	1.8
149.09608	22.3
149.13232	9.9
151.11153	3.1
153.09087	3.1
157.10115	2.6
158.10886	11.1
159.08054	6.3
161.09584	3.5
161.13181	2.5
163.03812	1.6
163.11166	8.5
163.14812	8.2
165.09074	2.1
165.12732	6.6
167.10649	3.3
171.11751	1.9
173.13202	44.3
175.11105	3.2
175.14853	2.1
176.11931	3.0
177.05415	23.2
189.12732	6.7
191.10553	2.2
191.14270	100.0
205.08542	2.6
207.13744	3.1
208.14319	1.8
209.15338	54.6
221.15295	3.0
267.12012	1.9
269.18945	1.6
275.16379	1.7
287.16357	3.3
305.17407	5.7
323.18414	35.8
341.19583	2.8
355.46951	1.9
364.80661	1.7
371.20319	1.7
485.23328	5.8
503.20624	11.7
503.25882	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	503.2483
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
51.98063	0.8
53.03932	1.8
55.01843	1.4
55.05497	5.6
57.03426	11.0
57.07061	4.0
59.04976	1.2
61.02901	1.8
67.05488	7.6
69.03412	52.0
69.07050	9.5
71.01340	1.1
71.04978	4.8
79.05482	6.8
81.03394	10.1
81.07026	15.9
83.01340	1.4
83.04958	11.4
83.08593	1.6
85.02886	39.6
85.06528	2.4
87.04433	8.8
88.28033	1.2
91.05450	11.0
92.08694	2.1
93.07026	13.5
95.04931	9.2
95.08584	17.4
97.02869	39.1
97.06499	4.9
97.10124	1.2
99.04450	2.2
101.02361	1.0
103.05447	1.0
105.07011	17.5
107.04955	1.4
107.08575	30.9
109.02881	6.7
109.06506	30.0
109.10145	11.2
111.04462	1.5
111.08068	8.6
115.03893	10.6
115.41270	1.0
117.07025	1.8
119.08553	18.0
121.06483	7.5
121.10116	29.3
123.08059	9.1
123.11700	5.2
125.09593	21.5
127.03883	8.2
129.06981	4.4
131.08527	21.6
133.04976	2.3
133.06459	1.6
133.10101	23.3
135.08028	33.6
135.11662	11.2
137.05957	15.7
137.09589	3.7
143.08543	7.4
144.09361	2.4
145.04997	5.0
145.10086	13.2
147.04379	1.3
147.08031	5.2
147.11658	10.2
149.09586	21.0
149.13226	9.2
150.10373	2.4
151.11188	2.0
153.09059	7.6
155.08583	1.5
155.10643	1.3
156.09384	1.3
157.10118	3.8
158.10887	10.7
159.08070	2.1
161.09610	4.4
161.13206	1.2
163.11182	7.7
163.14812	7.4
165.09064	1.3
165.12744	5.3
171.11638	3.9
173.09666	1.3
173.13217	49.6
174.13611	1.6
175.07524	1.8
175.11160	1.8
175.14789	1.6
176.11952	4.7
177.08974	1.5
185.09549	1.2
187.07495	3.9
189.09105	1.4
189.12781	1.7
191.14265	100.0
194.67848	1.1
199.11214	2.2
201.09055	2.1
203.14310	4.5
207.13757	2.0
209.15323	51.4
215.14178	2.0
221.15248	2.2
225.11133	1.4
239.12727	1.3
267.12180	1.2
275.16345	1.4
287.16354	2.0
305.17474	5.5
311.12894	1.3
323.18436	33.5
325.14301	1.2
341.19489	1.2
485.23697	7.6
503.25229	12.0
516.79608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2485
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.00301	1.5
53.03945	1.6
55.05496	2.4
56.44661	1.3
57.03426	40.2
58.59145	1.1
59.04988	6.3
64.85350	1.5
67.05482	3.1
69.03418	100.0
69.07063	15.4
72.24206	1.3
75.04459	3.1
79.05461	3.0
81.07050	8.1
83.04980	2.2
83.08603	2.0
85.02897	65.9
85.03417	2.3
87.04450	53.5
91.05462	2.7
93.07032	6.3
95.04948	14.9
95.08611	6.9
97.02876	61.5
97.06512	2.2
105.07032	7.5
107.08600	11.6
109.06499	6.1
109.10139	3.2
113.05975	1.6
115.03910	37.1
119.08567	8.6
121.06488	3.7
121.10141	6.0
122.07308	2.9
123.08054	38.1
123.11724	1.9
127.03921	2.7
133.04944	33.5
133.10133	7.4
135.08040	48.7
135.11678	6.8
137.09622	2.1
145.10083	2.5
147.11685	3.6
153.05501	1.6
159.06650	1.5
161.02893	1.7
163.14856	1.6
165.12709	26.0
173.13206	3.1
175.14784	3.4
176.11971	8.7
191.14279	93.5
193.15886	9.2
207.13832	1.7
209.15366	13.7
221.97038	1.6
341.19437	7.5
371.20526	6.3
371.86569	1.6
503.24710	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2483
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03924	0.2
54.09893	0.1
55.05496	0.7
57.03411	0.6
57.83531	0.1
61.02892	0.2
67.05438	0.1
68.84650	0.1
69.03414	2.1
69.07050	0.1
69.85700	0.1
71.04977	0.2
79.05455	0.5
81.03402	0.4
81.07024	0.2
83.04953	0.2
85.02887	3.8
85.06513	0.1
85.56339	0.1
86.09682	0.4
87.04452	0.4
91.05440	0.5
93.07017	1.4
95.04921	0.4
95.08569	0.3
97.02869	1.4
97.06543	0.1
99.04432	0.2
105.07001	1.2
107.08563	0.3
109.02855	0.5
110.50785	0.1
115.03896	0.5
119.08540	0.5
121.10114	2.7
123.08058	0.2
127.03875	0.7
127.07645	0.1
131.08559	0.6
133.04890	0.1
133.10089	2.0
135.08055	0.5
135.11667	0.1
137.05957	0.6
137.09573	1.3
143.08559	0.1
145.04993	0.2
145.10150	0.2
147.11684	0.1
149.09593	100.0
150.09937	0.2
158.10873	0.2
167.06975	0.8
173.13196	1.2
177.05431	0.1
191.14262	4.5
209.15332	14.8
218.01300	0.1
231.95815	0.1
338.37668	0.1
371.20593	3.8
503.20215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
52.63895	0.9
53.03925	2.1
54.33493	1.0
55.05502	2.1
57.03423	11.4
57.07058	1.9
59.04988	3.0
61.02914	1.5
67.05490	8.6
69.03416	41.0
69.07051	1.5
71.04974	7.7
72.04506	1.8
72.87472	1.2
73.02880	1.9
74.06074	2.8
75.04485	2.1
75.08894	1.2
77.97500	1.1
79.05472	7.0
81.03404	2.2
81.07050	9.3
83.04974	1.7
83.08617	2.3
85.02890	32.3
85.06519	5.6
85.62151	1.4
86.09698	2.4
87.04456	20.4
88.02204	2.4
91.05452	10.0
92.08884	1.2
93.07027	11.5
95.04939	10.9
95.08610	12.4
97.02868	25.3
97.06522	2.7
98.06001	1.3
99.05515	1.4
103.03958	2.4
105.07028	18.5
107.04916	1.6
107.08569	17.1
109.02866	2.3
109.06500	100.0
109.10144	29.7
111.08030	1.3
115.03928	12.5
115.05341	1.5
117.03409	1.6
117.06952	4.1
117.28561	1.1
119.08565	10.4
121.06422	1.5
121.10105	10.8
123.08047	13.3
127.03913	2.8
129.67679	1.2
131.08542	33.2
132.04762	2.4
133.04930	12.7
133.10106	63.2
135.08020	43.4
135.11609	1.5
142.08603	1.6
143.08539	6.4
145.04980	1.5
145.10074	10.1
147.11693	5.5
149.09642	2.9
149.13246	5.0
153.05464	2.2
153.09056	1.7
157.10078	2.5
158.10922	5.3
159.08057	1.4
160.09949	1.4
161.13322	1.6
163.03854	14.0
171.11697	2.0
173.13214	35.0
175.11205	5.7
176.11639	1.8
184.09557	1.7
185.13235	2.5
189.10329	1.8
191.14276	62.1
209.15331	49.5
215.14265	2.3
233.15314	2.0
245.10965	1.2
261.12646	2.8
265.40567	1.5
315.87772	1.4
323.15622	1.5
405.16788	14.5
463.22168	1.3
479.00641	1.7
499.43054	1.3
503.22440	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	503.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.2
56.36630	0.3
57.03431	0.6
57.07063	0.4
62.28193	0.3
66.36183	0.3
67.05506	2.0
69.03421	6.2
69.07071	2.1
71.04981	0.5
79.05477	2.6
81.07038	7.5
83.04980	0.5
85.02898	0.8
91.05450	3.1
93.07019	2.8
95.04927	0.5
95.08597	1.4
97.02855	0.8
97.06507	0.5
105.07015	4.1
107.04923	1.6
107.08574	17.7
109.06508	5.6
109.10143	6.1
117.07008	1.7
119.08565	2.5
120.69290	0.4
121.10105	10.8
122.07262	3.3
123.08107	0.4
131.08533	2.2
133.10106	100.0
135.08022	11.9
135.11684	0.9
137.09593	79.1
145.10094	1.5
147.11627	3.1
149.09618	0.5
149.13243	10.5
151.11211	0.5
158.10878	1.6
163.14790	2.3
173.13214	5.8
191.14275	37.3
201.16290	0.5
209.13507	0.6
209.15349	12.1
241.46400	0.4
305.24649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2482
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03924	0.3
54.12907	0.3
55.05491	1.8
57.03426	0.7
64.80061	0.3
65.03922	0.4
67.05480	1.8
69.03414	5.0
69.07052	2.6
79.05462	2.6
81.07035	6.7
83.04961	0.7
83.08596	0.7
85.02888	0.8
87.04407	0.4
90.16520	0.3
91.05457	3.7
93.06998	2.3
95.04943	0.4
95.08593	1.3
97.02837	0.4
97.06423	0.4
105.07012	4.3
107.04943	1.4
107.08573	16.6
109.06503	7.1
109.10141	6.0
112.15973	0.3
115.05418	0.7
117.06982	1.8
119.08576	2.5
121.06435	0.4
121.10123	14.4
122.07267	3.5
123.07993	1.4
131.08559	2.3
133.10104	100.0
134.10388	0.5
135.08028	14.8
135.11668	1.5
137.09592	66.4
145.10141	1.3
147.11679	2.0
149.13231	13.2
151.11118	0.7
158.10889	0.7
163.14769	1.4
173.13211	6.3
191.14276	32.9
209.15331	18.8
227.83936	0.4
258.19897	0.4
297.20822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31499	0.8
52.31424	0.8
53.03945	0.9
55.05492	4.9
57.03421	1.6
58.16963	0.8
59.04980	1.3
62.30375	0.8
67.05481	5.8
69.03415	10.8
69.07036	10.5
69.89636	1.0
71.04972	3.8
79.05452	1.4
81.03403	1.9
81.07025	8.4
83.04962	11.6
83.08594	4.8
85.02874	5.7
88.10799	0.9
88.16203	0.8
91.05434	1.8
92.08665	1.2
93.07019	7.6
95.04915	3.9
95.08582	24.4
97.02836	1.9
97.06514	4.6
99.08059	5.5
101.09318	0.9
105.07025	4.7
107.08583	39.5
109.06493	5.5
109.10126	15.1
111.08070	1.6
118.24689	0.9
119.08560	4.4
121.06489	3.9
121.10109	44.9
123.08020	5.5
123.11681	5.6
125.09586	15.3
131.08549	5.7
133.10103	12.9
135.08043	13.6
135.11670	5.0
137.09583	7.9
139.11133	5.7
145.10088	1.5
147.11632	7.3
148.08656	1.3
149.09599	12.3
149.13226	23.9
151.11154	100.0
153.09109	1.6
158.10847	4.7
163.14781	12.3
165.12701	8.2
173.13220	15.5
191.12483	1.6
191.14264	63.5
209.15329	91.3
214.26079	1.0
236.49994	1.0
519.38611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.1
54.54984	0.4
55.01857	1.0
57.03420	2.7
61.02901	3.1
64.44370	0.4
66.73075	0.4
69.03417	11.9
71.04962	0.8
72.22578	0.5
73.02893	1.2
73.39413	0.4
79.05466	2.9
79.24601	0.4
81.03410	3.6
81.07027	2.3
83.04936	0.5
83.51062	0.5
85.02891	18.0
87.04421	0.6
91.03915	0.6
91.05444	5.7
92.09106	2.2
93.07009	0.7
94.04159	2.9
95.04930	0.5
97.02868	7.1
99.04458	1.0
103.05459	3.7
105.07014	5.8
107.04904	0.9
107.08574	2.0
109.02847	2.3
109.06480	2.0
115.05428	3.2
117.03327	0.5
117.06968	1.0
119.04950	0.5
119.08537	4.1
121.10087	0.7
122.03613	8.1
127.03921	2.7
128.06197	2.3
129.06982	2.7
131.04910	6.5
132.05695	3.8
133.06482	2.7
133.10100	2.0
135.08034	0.9
137.05956	100.0
141.06961	2.2
143.04951	0.6
145.02771	1.0
145.04930	1.0
145.06415	0.7
146.03624	1.2
147.08031	5.2
155.04807	0.6
159.08051	2.6
160.05162	3.1
161.05957	8.4
163.07527	4.5
167.06996	0.6
171.07971	1.1
172.05086	0.8
173.05850	0.6
175.07512	33.2
177.05481	1.8
178.07791	0.6
179.08578	0.5
184.05193	2.5
187.07506	5.9
190.07797	2.5
191.08524	8.9
191.14249	3.6
192.09239	0.6
199.07503	11.4
202.07774	4.5
203.08522	9.4
205.06497	0.7
207.07916	0.9
209.15372	3.3
217.08492	0.6
218.07268	2.3
219.08014	11.0
220.08812	3.4
231.07982	9.5
232.08818	2.5
235.07452	0.8
236.08313	1.1
247.07536	6.5
248.08287	5.0
249.09048	2.1
251.10596	14.4
258.06842	0.7
259.07480	6.9
260.08282	2.4
261.09061	1.1
263.10614	4.8
264.07779	1.0
265.08615	0.7
276.07809	3.0
277.08633	2.9
279.10104	9.6
280.10883	0.9
281.08102	1.0
291.10074	9.3
292.10910	3.1
293.07919	0.9
295.13159	1.0
296.10727	0.5
308.10364	0.7
311.12695	17.5
323.12729	11.1
325.14307	1.0
410.05685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.4
53.03928	0.5
55.01858	0.8
55.05489	0.9
57.03426	4.3
57.07048	0.3
59.04980	0.5
61.02894	1.0
65.03932	0.5
67.05481	2.3
69.03055	0.7
69.03407	10.9
69.07044	2.3
70.54168	0.4
71.04966	1.7
73.02853	0.6
79.05465	4.0
81.03387	2.6
81.07021	4.7
83.04950	1.0
83.08607	0.7
85.02888	13.6
85.06498	0.8
86.42172	0.4
87.04437	3.0
89.03858	0.5
91.05459	7.0
92.64241	0.5
93.07009	4.2
94.04152	2.5
95.04965	3.2
95.08582	3.3
97.02853	5.8
97.06502	1.9
98.97504	0.5
99.04437	0.6
99.08062	0.6
103.05444	1.0
104.79099	0.5
105.07000	13.3
107.04926	1.8
107.08559	5.8
109.02846	1.9
109.06490	5.5
109.10120	1.0
111.04406	0.4
111.08089	0.9
111.54627	0.5
115.03903	2.5
115.05403	4.1
116.06181	0.8
117.03335	0.4
117.07001	2.6
119.04924	0.8
119.08540	7.3
121.06467	0.9
121.10122	4.4
122.03600	8.1
123.08053	1.0
123.11671	0.7
125.09638	0.7
127.03870	1.9
128.06175	2.6
129.06981	2.9
131.04909	1.1
131.08531	6.1
132.05676	2.3
133.04950	0.8
133.06450	4.9
133.10085	17.3
135.04349	0.5
135.08049	3.5
135.11664	1.6
137.05946	100.0
137.09531	4.1
143.05984	0.5
143.08545	1.9
144.05629	0.6
145.02841	1.8
145.04872	0.9
145.06534	0.8
145.10130	4.1
146.03505	0.8
147.04364	2.3
147.08020	4.4
147.11621	3.3
149.05943	0.8
149.09564	4.0
149.13208	1.8
151.07535	0.6
151.11125	1.7
153.09088	0.5
155.04948	0.6
156.05696	0.8
157.10100	0.8
158.10901	2.0
159.07997	3.6
160.05200	2.5
160.54010	0.4
161.05954	10.2
161.09596	0.7
163.03798	1.6
163.07491	0.7
163.11174	0.6
163.14775	0.7
165.06911	0.6
165.12675	0.8
167.06981	0.6
171.08006	0.6
171.11620	0.8
172.05164	2.0
173.05927	0.6
173.13194	12.4
175.07507	21.1
175.11032	0.6
175.14769	0.5
177.00673	0.5
177.05441	2.1
177.09142	0.5
179.06979	0.8
181.04860	0.4
184.05142	1.9
187.07481	8.6
189.05215	0.4
189.06868	0.9
189.12668	0.7
190.07693	4.0
191.08530	10.7
191.14270	13.3
191.16081	0.4
192.09085	0.5
199.07475	6.4
202.07703	3.6
203.08522	5.4
205.06477	0.7
207.08037	0.5
207.13768	1.0
208.08705	0.6
209.15312	5.4
218.07214	2.9
219.08008	14.1
219.09949	0.9
220.08792	2.5
231.07980	6.1
232.08769	0.8
233.09735	0.6
235.07462	0.6
236.08258	2.4
237.02817	0.6
237.08992	0.6
247.07410	5.1
248.08328	3.9
251.10606	18.0
253.08549	0.6
259.07462	3.5
260.08124	1.2
261.09106	0.8
262.09778	0.5
263.10550	3.4
264.07788	1.0
265.08527	0.9
267.10062	0.5
276.07642	1.6
277.08548	1.7
279.10098	10.7
280.10913	0.7
281.07953	0.9
291.10056	6.6
292.10822	2.1
293.08069	0.7
295.13107	0.8
296.10388	1.0
311.09210	1.0
311.12695	21.7
323.12686	7.7
323.18341	3.2
341.13483	0.8
344.66241	0.4
377.01813	1.7
415.52863	0.7
426.95908	0.4
494.20465	0.6
503.19745	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	502.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.8
55.05495	11.6
57.03418	17.5
57.07065	35.1
59.04988	3.6
67.05491	100.0
69.07048	8.5
71.08617	24.4
75.90051	1.9
79.86649	1.8
81.07039	15.7
82.54902	1.9
83.08614	11.6
85.10163	15.0
91.05480	3.8
93.07038	2.3
95.08585	19.4
109.10140	77.4
119.08588	8.2
123.52952	1.8
139.31862	1.9
153.82690	1.8
173.11713	16.7
191.99928	1.8
229.14325	45.0
257.24622	2.8
313.27267	48.1
467.37238	31.1
489.51358	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01860	0.3
55.05502	1.5
57.03429	1.5
58.42715	0.2
60.32744	0.2
61.02902	0.4
63.02375	0.4
67.05487	0.6
69.03405	4.9
69.07046	1.4
71.04977	1.1
73.02892	0.3
79.05454	0.9
81.03400	8.0
81.07038	2.5
83.04953	0.6
83.08610	1.5
85.02880	5.5
85.06509	0.3
85.52804	0.3
87.04454	1.5
89.03886	8.0
91.05462	1.7
93.07017	2.0
95.04943	0.7
95.08569	2.3
97.02859	3.3
97.06503	0.5
99.04433	0.5
100.11208	3.0
103.05471	0.4
105.07005	1.4
106.04185	0.3
107.08574	2.1
109.02851	2.0
109.06515	0.5
109.10146	1.7
110.82843	0.3
111.04453	0.4
114.09209	0.4
115.03922	1.6
117.03351	27.7
119.04912	0.5
119.08570	1.2
121.06515	0.5
121.10130	1.3
123.08011	0.4
123.11689	0.4
127.03837	0.3
128.70290	0.3
128.83534	0.2
131.08542	0.5
133.04936	1.1
133.10065	1.2
134.03615	2.2
135.04335	2.5
135.08029	1.3
135.11688	0.6
137.05902	0.4
137.09592	0.4
145.02820	79.6
145.10118	0.4
146.03169	0.4
147.04419	1.7
147.11673	1.1
149.04726	0.5
149.05948	11.5
159.11728	0.6
161.09491	0.4
163.03848	1.3
165.12752	0.5
173.13264	0.4
177.05421	100.0
178.05751	0.6
182.15367	1.7
185.41983	0.4
186.05527	0.4
191.14264	3.2
195.06563	0.4
209.15173	0.4
210.14766	0.6
235.07451	0.3
280.41623	0.3
321.09598	5.2
333.89368	0.3
339.10712	4.0
416.02988	0.3
502.87384	0.5
503.24869	2.9
503.31253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35763	1.3
52.36514	1.3
53.03948	2.0
55.01863	11.9
55.05505	82.9
56.88980	1.4
57.03424	2.2
57.07052	2.2
62.51049	1.4
63.15288	1.4
67.05137	3.1
67.05492	93.2
69.03423	10.2
69.07053	32.3
71.04964	3.8
71.08611	1.7
72.78370	1.6
79.05476	50.5
81.07037	100.0
82.83593	1.7
83.04974	6.7
83.08604	58.7
85.06532	3.7
91.05465	25.6
93.07026	53.7
95.04961	2.5
95.08592	78.3
97.06519	3.6
97.10149	93.9
99.08048	2.0
105.07017	25.8
105.68910	1.6
107.08573	57.5
109.06507	2.1
109.10146	44.8
111.08086	6.9
117.06994	14.5
119.08549	24.0
121.10108	28.2
123.11702	9.9
125.09602	61.3
131.08563	19.6
131.77173	1.7
133.10094	18.7
135.08063	12.5
135.11639	17.4
137.13208	3.1
139.11119	4.1
143.08557	7.2
145.10081	15.8
147.11685	13.9
149.09547	5.9
149.13260	7.7
151.11217	2.2
153.09094	11.9
157.10081	4.1
159.11681	13.8
161.09705	2.1
161.13181	15.1
163.11130	2.9
163.14822	3.3
169.10172	2.0
171.10193	3.7
171.11624	2.9
173.11864	2.8
173.13298	10.9
175.14735	4.1
177.12762	3.4
179.14299	2.6
183.11681	2.1
187.14803	3.1
189.11174	36.7
189.12718	2.1
243.21150	6.2
261.22107	17.9
279.23123	51.4
295.22595	7.8
297.24188	34.1
311.22171	2.0
326.77081	2.1
395.29205	3.7
413.30341	10.0
431.31464	58.5
449.32516	28.9
467.33640	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	31.3
55.18562	8.1
56.81419	6.8
57.03430	13.9
57.07053	6.8
62.67240	8.3
67.05477	44.9
69.07043	42.3
69.62051	9.4
71.05003	9.2
79.05489	38.4
81.07045	74.8
83.08625	12.2
91.05437	14.1
93.07029	71.4
95.08613	95.5
105.07020	70.8
107.08577	89.0
109.10144	51.7
119.08567	86.6
121.10094	63.1
122.10358	9.4
123.08020	8.3
123.11678	16.8
129.06995	8.5
131.08545	64.6
132.03622	9.1
133.10104	44.8
135.11700	44.1
143.08539	17.8
145.10107	58.0
147.11642	19.9
149.13242	32.9
157.10069	32.0
159.11699	42.7
161.13182	45.4
163.14815	41.2
169.10098	11.0
173.13257	42.1
175.14822	11.7
177.16316	9.9
185.13272	9.6
187.14818	44.2
189.16359	45.7
191.14204	8.4
197.13205	10.3
199.14772	10.9
201.16440	10.2
207.17482	45.2
215.17776	10.5
239.17957	10.1
241.19498	8.9
285.18362	13.6
375.29932	26.4
411.32770	9.0
421.30801	51.9
425.33627	9.8
439.32242	100.0
467.31403	44.4
485.32071	33.5
502.26285	11.4
502.38562	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	502.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02423	3.2
54.23690	3.0
55.05495	26.2
57.03432	16.8
57.07072	64.1
67.05501	33.4
69.07065	32.1
71.08617	29.3
72.64738	3.2
75.01884	2.9
79.05486	23.9
81.07046	58.5
83.04960	4.1
83.08611	13.8
85.10153	13.2
91.05447	37.4
93.07027	77.9
93.07571	5.8
95.04951	5.2
95.08585	67.9
97.06508	6.9
97.10146	7.1
105.07014	63.0
107.08575	82.6
109.06486	5.5
109.10137	40.0
111.08086	4.0
117.07030	15.3
119.08558	71.2
121.06477	3.6
121.10130	44.7
123.08050	3.6
123.11705	22.1
129.06978	8.4
131.08553	29.3
133.10101	37.7
135.08055	6.9
135.11674	20.1
136.14857	4.2
143.08528	19.2
145.06514	4.4
145.10094	57.5
147.04387	5.1
147.08052	15.1
147.11693	36.6
149.09531	3.7
149.13268	22.2
151.07613	4.4
155.08545	14.1
157.10133	25.7
159.08116	4.9
159.11722	33.1
161.09618	6.4
161.13245	16.1
163.14795	5.4
169.10072	6.3
171.11534	5.3
173.09648	8.4
173.13223	24.6
175.14818	24.0
181.10077	5.4
183.11626	4.9
185.09628	13.2
185.13176	13.3
187.11223	6.0
187.14795	50.6
189.16273	12.1
191.14328	14.7
195.11801	6.7
196.12337	4.7
197.13301	14.0
199.14729	5.1
201.12764	3.8
201.16331	4.5
203.14375	7.6
205.15987	6.4
209.13258	4.8
213.16444	7.4
215.10638	4.1
215.14323	20.7
217.15974	5.8
223.27187	4.7
227.17912	4.6
243.17505	5.7
255.17282	7.0
261.14917	6.3
266.65884	3.6
273.18475	19.8
285.18378	6.3
313.17752	7.7
313.27298	100.0
393.30966	4.2
421.30869	7.4
439.31985	22.8
449.30560	6.0
456.31439	6.7
460.67792	3.7
467.31750	15.6
485.32501	6.5
502.35529	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.9
53.03954	0.3
55.01867	0.8
55.05491	0.6
57.03429	11.2
57.06839	0.5
57.07067	16.7
59.04991	100.0
61.02917	1.9
61.80489	0.3
67.05491	0.6
69.03415	33.1
69.07061	0.5
70.06615	0.4
70.18755	0.3
71.04990	1.8
73.02905	2.7
75.04464	1.7
79.05476	0.6
81.03412	2.1
81.07050	2.4
83.04967	0.8
85.02891	24.4
85.06527	0.5
86.09730	0.4
87.04450	19.4
89.03880	0.4
91.03892	0.4
91.05489	0.9
92.08685	0.5
93.07050	1.8
95.04906	0.4
95.08613	2.3
97.02871	26.2
99.04456	1.3
101.09631	0.4
105.07001	2.7
107.08595	2.2
109.02903	0.8
109.06505	0.5
109.10178	1.9
115.03912	17.5
115.11185	14.3
116.47439	0.4
117.09132	0.5
119.04916	0.4
119.08587	1.7
121.10155	1.4
123.04375	0.5
123.08030	0.4
127.03886	2.7
127.11214	0.4
133.04947	12.9
133.10146	1.9
135.04327	0.5
137.05954	5.2
143.08575	0.7
145.02858	1.6
145.04974	2.2
145.10114	2.8
146.03259	0.4
147.04431	0.6
147.11681	0.5
149.13286	0.5
159.11665	2.6
173.09592	6.0
173.15334	2.9
175.07431	1.2
177.05501	2.1
177.12694	0.6
178.05772	0.5
183.11786	0.4
191.10736	0.5
191.16383	44.3
199.14870	0.6
211.14993	0.6
242.84380	0.4
259.08054	0.8
269.19000	3.4
277.09299	0.5
287.20233	1.7
291.10147	0.4
305.21075	4.3
311.09164	0.6
311.12921	0.7
502.23221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67200	0.8
50.97215	0.7
55.01870	0.8
55.05496	4.9
57.03424	3.6
57.07059	1.7
59.04992	35.0
60.36221	0.7
64.33982	0.9
65.03934	1.4
66.38912	0.7
67.05495	37.1
67.08622	0.7
69.03416	77.8
69.07061	4.9
71.04974	9.7
71.05308	0.9
73.06535	4.4
79.05487	4.9
80.30138	0.7
80.53440	0.9
81.07021	6.5
83.04964	100.0
85.06524	8.3
87.04443	13.0
91.05460	5.4
93.07011	5.4
93.43331	0.9
95.04950	55.1
95.08608	4.1
97.06519	1.5
99.08089	1.5
101.05993	4.2
105.07007	7.4
107.08598	8.3
109.06498	4.5
109.10147	2.0
113.05988	62.2
117.07005	2.0
119.08544	6.1
121.00503	0.8
121.10120	5.0
123.11694	1.0
127.07527	13.5
129.06987	1.4
131.08566	5.7
133.10069	7.7
135.04366	1.0
135.08073	1.3
135.11682	4.9
143.08586	1.9
145.08580	28.0
145.10011	6.6
147.11671	3.9
149.05940	1.2
149.09666	1.4
151.11124	1.5
155.08459	1.0
157.10120	3.8
159.08035	1.2
159.11685	5.6
161.09589	1.1
161.13239	3.2
163.11153	1.5
169.10112	1.2
171.11678	1.2
173.13264	1.9
175.11163	1.1
175.14822	1.2
183.11670	1.1
185.09650	0.9
185.13164	1.6
187.14833	1.6
197.13203	1.1
199.14766	1.8
201.16380	1.2
209.13350	1.1
339.23123	4.0
405.27594	1.4
407.25681	2.0
419.29028	0.9
425.26642	3.3
433.27155	5.3
437.30380	3.3
451.28391	19.4
465.30051	1.2
469.29410	29.4
483.30963	7.1
501.31552	9.7
502.50702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.2
55.01868	0.3
57.03434	2.0
59.04979	0.7
59.36599	0.2
61.02907	1.0
63.43159	0.2
69.03415	6.6
71.04991	0.2
75.04450	0.2
77.81317	0.2
81.03403	0.4
84.80574	0.2
85.02894	11.8
86.09691	100.0
87.04444	5.0
91.03938	0.9
92.09029	0.4
97.02869	6.5
99.04425	0.4
104.53942	0.2
108.67744	0.2
109.02885	0.4
113.05952	0.2
115.03230	0.2
115.03912	8.0
127.03891	2.4
132.10182	36.8
133.04941	7.4
135.55141	0.2
143.07066	0.2
145.04938	4.9
156.98077	0.2
161.08186	0.3
163.05989	2.3
209.10199	1.1
239.11179	3.8
259.08063	0.4
295.10257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.1
55.05502	2.0
57.03424	11.2
57.07066	17.5
59.04988	100.0
61.02908	0.9
61.59890	0.5
63.01168	0.4
67.05488	1.2
69.03413	33.6
69.07050	2.2
71.04979	1.1
75.04459	2.2
79.05471	0.7
81.03405	2.6
81.07050	2.3
81.23355	0.5
82.98502	0.5
83.04951	0.7
83.08618	0.8
85.02887	24.9
86.09698	0.7
87.04443	18.4
87.04974	0.7
91.05466	1.9
92.09367	0.7
93.07030	2.1
95.04942	1.0
95.08599	2.1
97.02869	23.5
97.03495	0.9
97.10162	0.8
99.04442	1.1
104.76684	0.5
105.07027	0.9
107.08578	1.8
109.10158	1.3
109.50196	0.5
111.08099	0.6
115.03909	17.9
115.11184	18.3
117.03387	0.6
117.09139	0.7
119.04922	2.5
119.08584	2.1
120.05262	0.6
121.10101	0.8
127.03925	2.1
127.11115	0.5
133.04932	13.6
135.04443	1.2
136.04752	0.7
145.02867	3.3
145.04945	1.3
145.10165	0.7
145.12265	0.6
146.03235	0.8
147.04359	5.7
148.04791	1.2
148.59073	0.7
163.03870	5.0
164.04230	1.2
173.13188	0.6
173.15376	3.2
177.05394	3.8
189.68684	0.5
191.16391	43.4
225.91727	0.6
236.95886	0.6
279.03647	0.8
280.16577	0.5
295.10464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16607	0.3
53.03940	1.0
53.79980	0.4
55.05507	3.5
57.03433	1.0
60.74280	0.4
61.02906	0.9
67.05467	0.6
67.52901	0.5
69.03064	0.8
69.03415	16.3
69.07040	2.6
71.04976	0.6
72.89046	0.4
79.05473	8.0
81.03391	2.0
81.07027	2.4
83.04962	6.2
83.08614	0.5
85.02888	10.4
87.04440	0.9
91.03896	0.5
91.05460	3.0
93.07022	2.5
95.04943	2.5
95.08582	1.8
97.02872	4.8
97.06499	0.5
99.04459	0.5
103.05458	2.6
105.07009	8.3
107.04955	0.7
107.08574	10.5
109.02847	0.6
109.06525	1.8
109.10118	0.9
115.03890	0.6
117.06987	0.9
119.08562	7.2
121.06478	17.3
121.10110	4.6
123.08065	4.0
125.20785	0.5
127.03880	2.7
131.08522	4.3
133.06464	100.0
133.10101	5.5
135.08025	9.1
135.11673	1.0
136.08815	0.5
139.16258	0.5
139.92262	0.4
143.08549	2.4
143.19337	0.6
145.04929	0.9
145.10127	2.6
147.08064	3.3
147.11659	5.1
148.08846	0.5
149.09537	3.4
149.13228	1.0
158.10832	3.5
159.08006	0.9
160.08812	0.5
161.09598	3.5
163.11139	22.7
171.11577	0.7
173.13220	5.6
174.10384	3.1
176.11911	1.0
189.11423	0.5
189.12706	27.5
191.14273	54.7
198.52950	0.5
207.13762	41.2
351.17807	1.0
520.34943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05320	2.1
55.05484	3.4
57.07050	2.4
65.91988	1.8
67.05475	8.6
69.07031	2.4
76.56327	2.4
78.69687	1.8
79.05434	3.4
79.85160	1.8
79.90569	1.8
81.07045	14.7
91.05426	4.5
93.07004	11.1
95.04906	2.0
95.08595	16.9
105.06994	11.3
107.08568	14.8
109.10120	4.3
117.07061	2.1
118.01351	2.4
119.08569	15.6
121.10109	11.7
123.11693	2.6
131.08517	3.9
133.10114	16.0
135.11636	3.3
145.10103	8.3
147.11693	3.5
149.13214	3.3
152.93550	1.9
157.10042	3.8
159.08051	3.1
159.11699	3.0
161.13152	3.1
163.14674	2.2
171.11620	4.2
173.13174	3.2
175.14738	7.8
185.13184	2.6
187.14732	3.4
189.16327	2.7
195.11609	2.8
200.51297	2.0
203.14391	2.7
239.17690	3.1
246.18372	2.2
307.18668	9.5
310.94159	2.1
419.29092	3.4
423.32343	3.7
437.30463	4.0
455.31784	2.9
465.29764	2.6
483.30893	13.8
500.38068	16.4
501.24484	100.0
501.31757	14.8
501.37531	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	501.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82454	0.3
62.53106	0.3
69.07079	0.5
77.01418	0.3
81.07011	0.5
87.40558	0.4
92.08624	0.4
93.07005	0.4
95.08574	0.6
107.08591	0.6
113.26952	0.3
119.08571	1.5
133.10135	0.6
143.08582	0.5
145.10100	0.6
157.09988	0.4
161.13281	0.5
167.06799	0.8
209.09483	0.4
357.23923	3.2
483.31039	0.7
501.31757	100.0
502.31958	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.06490	0.7
55.01862	1.0
55.05493	3.1
57.03410	4.2
61.02899	3.4
61.69901	0.6
64.33469	0.9
67.05471	1.9
69.03410	17.2
69.07041	4.4
71.04961	4.3
71.05328	0.6
73.02879	1.0
77.35339	0.7
79.05466	1.8
81.03382	4.2
81.07018	4.8
83.04965	7.8
83.08592	1.8
85.02890	25.9
87.04427	5.9
89.03880	0.8
91.03966	0.7
91.05446	3.5
92.09174	3.5
93.06998	5.0
95.04938	1.0
95.08572	4.3
97.02858	10.5
97.06496	1.6
99.04420	1.1
105.07012	20.0
105.07672	1.5
106.13364	0.8
107.04931	1.1
107.08582	6.1
109.02844	4.0
109.06470	1.1
109.10115	1.6
111.08101	1.0
115.03912	1.1
117.03359	3.7
117.06955	3.6
119.04919	5.6
119.08574	13.1
121.06436	4.3
121.10151	5.5
127.03900	5.6
128.06157	0.9
129.06955	3.1
129.09071	0.8
131.08546	5.6
133.06453	5.9
133.10092	7.3
135.04375	2.9
135.08032	3.2
137.05948	1.1
137.09502	0.8
142.07790	1.2
143.08516	4.6
145.02802	7.0
145.04922	3.7
145.06384	0.9
145.10095	12.5
147.04338	0.8
147.08028	8.2
147.11655	14.8
149.05943	0.9
156.09300	5.8
159.11690	1.7
160.08768	3.3
161.05891	1.0
161.09567	5.4
161.13185	7.9
163.03850	10.3
163.11142	49.5
164.04204	3.0
167.08543	0.9
171.11626	10.0
173.05939	1.4
173.13159	1.2
177.05443	10.3
177.16628	0.8
181.04860	2.9
181.08424	0.9
189.12697	31.7
191.14262	44.6
207.13759	100.0
241.08485	0.9
259.09634	1.1
369.19101	14.4
390.10370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47151	2.4
54.38739	2.2
55.05486	6.1
67.05487	24.0
69.07059	5.8
71.04970	3.0
78.91245	2.8
79.05459	12.0
81.07021	19.1
85.06507	5.2
88.44645	3.2
91.05445	4.4
93.07038	21.9
95.04936	4.8
95.08586	21.0
105.07005	18.7
107.08558	25.5
109.10126	12.0
113.06020	4.7
117.06959	3.9
119.08537	37.0
121.10074	22.1
131.08562	17.7
133.10104	15.9
135.11679	13.4
143.08542	4.8
145.10019	20.5
147.11658	6.9
155.08525	4.2
156.75595	2.9
157.10109	5.2
159.11655	13.5
169.10365	2.6
171.11678	5.6
173.13251	10.8
175.14735	3.7
183.22850	2.6
187.14784	20.7
189.12651	3.3
189.16406	4.9
189.75119	2.7
201.22012	2.9
207.13824	3.8
215.14441	3.8
233.15273	3.6
242.02045	3.2
307.15640	23.6
325.16751	23.6
339.65692	3.4
419.29013	5.2
437.30490	6.7
453.29272	5.0
483.31158	17.2
492.85965	3.0
501.22498	100.0
501.29541	27.6
521.96277	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.05493	6.1
57.03425	17.5
57.07058	1.5
58.03767	0.9
59.04991	19.4
61.02928	1.7
64.12930	0.9
67.05496	7.0
67.75259	1.0
69.03409	23.3
69.07049	10.0
70.06559	1.0
71.04965	4.3
79.05499	3.6
81.03381	4.8
81.07041	8.8
83.04961	11.4
83.08588	5.1
85.02888	15.0
85.06529	1.7
86.09727	1.2
87.04437	8.4
91.05437	4.4
93.07013	7.8
95.04942	4.5
95.08575	10.6
97.02866	15.9
97.06514	4.9
99.08070	6.5
101.05950	1.4
105.06995	17.5
107.08571	24.9
109.06503	25.5
109.10154	23.4
110.10456	5.7
111.08086	4.3
115.03900	7.3
117.03351	6.2
119.08543	11.5
121.06458	4.5
121.10125	10.1
123.08038	71.8
123.11646	4.4
126.54854	1.0
127.11156	18.5
128.11504	4.5
129.07013	1.1
131.08545	4.2
133.04955	4.2
133.06454	4.9
133.10091	5.2
135.08101	1.3
135.11609	1.7
137.09575	5.9
143.08540	4.4
145.02815	16.5
145.10109	5.1
147.04408	1.2
147.08047	4.4
147.11667	9.9
149.05984	2.1
149.09590	65.1
151.11186	1.5
153.12711	7.4
154.13019	1.2
155.14256	4.3
156.09303	7.0
159.07986	1.6
159.11652	1.3
160.08618	1.4
161.09589	3.8
161.13185	7.1
163.11060	1.8
165.12750	4.7
171.11632	13.9
171.13765	26.4
172.14151	10.3
173.09499	1.8
174.10368	5.8
177.05406	23.5
189.12692	28.3
207.13763	100.0
231.13797	1.8
339.17767	4.3
423.31903	1.0
454.69223	1.2
501.19052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30521	0.2
53.03940	0.4
57.03433	0.6
58.74653	0.2
66.73324	0.2
67.05487	1.9
69.03415	3.6
69.07072	0.4
71.04988	1.1
71.76631	0.2
74.24136	0.3
77.33440	0.2
78.04689	0.3
79.05492	0.3
81.03395	5.5
81.07037	1.4
83.04927	0.2
85.02891	3.0
85.06519	0.5
87.04446	0.3
89.03895	7.9
91.05466	0.5
93.07021	1.1
95.04952	2.1
95.08573	0.4
97.02911	0.5
99.04436	0.3
103.05438	0.3
105.07008	1.0
106.04213	0.5
107.08597	1.5
109.02859	1.7
109.06503	0.3
109.10123	1.8
111.04468	0.3
113.06001	1.7
116.61185	0.2
117.03355	29.3
119.08559	1.1
121.06553	0.8
121.10130	0.6
124.05174	0.3
127.03900	0.4
129.07043	0.3
131.08566	0.5
133.10153	1.0
134.03587	2.2
135.04399	2.5
135.11667	0.3
137.05931	0.4
137.09598	1.0
143.08534	0.3
145.02826	76.6
145.10071	0.5
146.03207	0.3
149.05948	12.4
159.11653	0.5
163.03896	1.1
165.09119	0.3
171.11693	0.5
173.13235	0.6
177.05431	100.0
186.05466	0.5
195.06439	1.1
196.68341	0.3
321.09604	4.5
339.10712	3.4
501.31635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	71.7
57.03420	7.2
62.49670	8.0
64.34003	7.0
67.05495	95.0
67.28468	6.3
69.07053	55.4
79.05476	95.6
81.07046	100.0
81.14021	7.7
83.08614	49.7
85.44581	6.5
87.96678	7.3
91.05486	44.6
93.07024	83.4
95.08595	81.6
97.06531	11.3
97.10165	57.4
98.18105	7.2
105.07027	57.5
107.08591	82.7
109.10174	36.2
113.23866	7.5
117.07009	11.9
119.08556	73.7
121.06485	8.9
121.10137	56.7
123.08060	37.4
123.11745	16.2
125.09627	39.9
131.08527	18.2
133.10120	41.7
135.11707	42.4
145.10133	29.9
147.11671	17.1
149.13261	10.6
153.09140	13.3
157.10092	16.0
159.11736	13.6
189.11287	10.0
191.17915	10.3
277.21710	14.5
285.97888	7.7
295.22580	15.4
311.25677	17.0
335.59073	7.8
375.98898	8.7
428.80685	9.2
429.29697	41.3
447.31064	49.8
465.31900	37.8
500.40784	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3757
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
51.64710	0.9
55.05497	2.3
57.07071	2.0
59.04987	10.8
59.06117	1.8
64.33943	1.4
67.05505	5.0
69.07052	2.1
73.66563	1.2
79.05485	1.4
81.07069	1.6
83.04980	2.4
91.05504	1.6
95.05015	1.4
95.08594	5.5
99.06911	1.3
107.08606	4.8
111.85073	1.1
113.06056	1.2
119.08574	2.6
121.10160	2.0
131.08566	1.9
131.71469	1.2
133.10117	1.6
135.11697	1.4
151.24181	1.1
159.11708	2.0
239.18294	1.3
250.62762	1.2
281.15637	1.6
311.25888	6.5
499.31924	6.5
499.37729	100.0
500.38272	1.8
506.80511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03425	0.1
64.91737	0.1
69.03403	0.2
79.05473	0.2
80.93866	0.1
81.03405	0.2
81.07031	0.2
85.02896	1.2
91.05467	0.3
94.04161	1.1
97.02870	0.6
98.79578	0.1
107.04937	0.2
109.06498	0.2
111.87522	0.1
121.06474	0.2
122.02795	0.2
122.03625	4.2
123.04300	0.1
137.05956	100.0
138.06274	0.6
147.04362	0.2
149.05980	1.2
151.07520	0.7
153.05734	0.1
153.06972	0.9
153.09077	0.2
155.87927	0.1
160.06314	0.1
161.05879	0.1
167.07076	0.2
167.08421	0.1
177.07181	0.2
179.06938	0.9
181.06421	2.1
189.11047	0.1
195.07985	0.3
209.05978	0.2
213.09021	1.4
221.06052	0.2
225.09106	0.5
226.06224	0.2
241.08495	1.2
253.08556	0.8
273.11136	3.4
285.11096	1.3
303.12250	1.4
485.25815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.0
53.03943	1.0
55.01861	0.9
55.05494	5.1
57.03167	1.7
57.03429	26.7
57.07056	4.0
57.12086	0.8
59.04986	5.5
61.02902	1.1
67.05496	12.6
69.03417	59.6
69.07062	9.3
71.04603	1.7
71.04975	33.6
71.08246	2.0
71.08614	41.9
73.02881	1.6
75.04442	5.1
79.05472	1.8
81.03391	5.1
81.07042	7.1
83.04951	1.0
83.08610	11.0
85.02888	43.8
85.06518	5.5
87.04452	33.5
88.58102	1.0
91.05456	1.2
93.06995	1.8
95.04932	1.2
95.08591	8.2
96.08981	1.5
97.02876	42.6
97.06524	1.3
99.04441	2.1
99.08070	46.3
101.02313	1.2
105.06995	2.0
107.08557	2.1
109.10141	67.2
115.03902	35.2
117.03348	2.4
119.04925	1.1
119.08528	1.7
121.10106	1.3
127.03862	5.1
127.11169	12.5
131.04898	1.0
131.08560	1.0
133.04932	24.7
137.05978	5.0
145.02837	16.2
145.04982	4.2
145.12216	100.0
147.04431	8.5
149.05975	2.4
153.12762	1.8
157.10138	1.1
159.08064	1.3
159.11751	1.2
161.05832	1.0
162.05464	2.0
163.03879	1.5
165.05574	1.2
169.04935	1.0
170.16087	1.4
171.13782	16.0
177.05424	24.0
187.07558	1.1
187.16882	1.4
189.13092	1.9
189.14824	55.6
215.06821	1.3
217.07825	1.0
219.01688	2.2
237.02791	4.8
321.14340	4.9
339.15375	2.2
349.39978	1.3
476.74557	1.3
500.20425	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39740	1.0
57.68877	1.0
64.63051	1.2
67.05473	3.0
67.30624	1.4
69.07024	1.4
75.17641	1.3
79.05438	2.3
81.07024	2.7
88.25652	1.5
91.05432	1.1
93.06976	2.2
95.08549	2.0
105.07031	1.5
107.08537	2.2
109.02569	1.3
109.10139	5.4
114.25945	1.2
119.08517	2.1
121.10064	1.7
143.08557	1.7
147.07758	6.8
151.82288	1.5
159.11584	1.9
161.09334	30.0
162.10114	9.5
172.28883	1.2
175.10838	1.5
179.10306	2.7
233.11360	2.9
247.12947	1.5
248.11482	1.9
248.13773	36.7
249.14546	31.1
263.12479	1.4
421.41516	1.4
499.33002	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	499.3393
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
51.76633	0.2
51.81685	0.2
52.36877	0.2
55.05496	0.2
56.26902	0.2
67.05476	0.3
69.07071	0.2
85.55591	0.2
93.06995	0.3
95.08582	0.5
95.14135	0.2
105.07025	0.3
107.08578	0.4
119.08586	0.3
121.10191	0.3
129.53278	0.2
131.08507	0.3
134.14633	0.2
135.08046	0.4
135.11710	0.4
159.11688	0.5
170.49321	0.2
175.14871	0.3
187.14862	0.3
196.92618	0.2
203.14273	0.4
249.52058	0.3
453.33850	0.3
481.33600	0.6
499.33786	100.0
500.34055	1.1
501.62796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3413
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
51.37143	2.4
54.37583	2.5
55.39224	2.6
57.07057	12.4
69.07050	18.2
81.07027	6.1
91.50015	2.3
92.09330	5.5
92.64826	2.5
95.08569	4.2
107.08549	3.1
109.10197	3.0
121.06565	2.5
123.11687	24.1
125.19747	2.6
132.26584	3.7
134.58159	2.6
135.04408	5.5
135.08035	5.0
143.08517	2.7
146.92784	2.7
149.09592	6.0
151.03851	6.6
161.05928	3.4
161.09608	6.5
163.03880	41.4
168.07303	3.2
171.08063	4.1
173.09634	3.1
175.07521	15.5
181.04912	35.5
189.09021	20.4
199.07532	5.5
217.08557	100.0
219.10095	76.4
219.12080	3.8
223.09644	3.2
235.09576	49.7
249.57608	2.9
273.14774	5.8
275.16324	17.7
284.03159	2.8
285.14771	11.8
291.15945	24.8
307.32791	3.1
341.21060	28.5
357.20560	31.1
359.22000	6.3
372.42798	3.4
413.26624	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3051
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
53.18404	0.9
53.97813	0.9
55.01836	1.4
55.05498	6.3
57.03430	2.0
57.07055	2.4
59.04988	36.5
59.30736	0.9
59.76838	0.9
65.03905	2.1
67.05135	2.0
67.05487	37.4
69.03414	100.0
69.07043	4.5
71.04970	9.7
73.06527	4.2
75.04446	1.6
76.11708	0.9
79.05480	7.8
81.07030	15.3
83.04966	15.8
83.08602	6.6
85.06531	9.6
87.04445	14.2
91.05465	15.5
93.07024	12.8
95.04947	50.7
95.08573	8.9
101.06004	4.1
105.06998	15.8
107.08596	10.0
109.06504	4.5
109.10118	10.7
113.05985	57.4
113.61562	1.0
113.83965	1.2
117.07012	4.9
119.08559	15.7
121.06583	1.1
121.10142	4.1
127.07529	7.4
128.06183	1.8
129.06943	10.2
130.07742	1.2
131.07610	1.5
131.08525	15.2
133.06494	2.3
133.10101	5.7
135.08022	1.1
135.11682	1.7
141.06961	5.6
142.07716	4.4
143.08551	12.2
145.08574	19.9
145.10109	12.2
147.07973	1.6
147.11697	5.5
149.13260	5.2
153.06999	1.5
154.07739	1.5
155.08517	12.7
156.09384	1.1
157.10106	14.0
159.08028	1.8
159.11653	8.6
161.13242	9.7
165.06963	1.7
166.07823	1.5
167.08531	2.3
168.09320	5.8
169.10101	10.0
171.11696	8.1
173.13208	1.9
175.07530	17.9
175.14745	1.4
177.09175	1.9
179.08548	1.1
180.09395	1.6
181.10043	7.9
182.10982	2.0
183.11685	12.1
185.09547	1.6
185.13216	4.1
187.07564	1.2
187.11240	1.4
189.09126	4.5
193.10202	1.6
195.11699	5.5
197.09746	1.3
197.13174	4.3
199.11035	1.5
199.14862	1.5
201.09123	5.6
207.11569	1.3
209.09555	1.3
209.13220	4.4
211.11086	4.7
213.09085	10.1
213.12593	1.0
215.18028	1.9
221.13252	1.3
223.14763	1.5
225.12646	1.3
227.10620	25.9
229.12192	12.4
237.12460	1.2
241.12177	11.0
243.13817	1.3
255.13808	8.6
277.19458	2.4
291.20828	1.6
337.17734	2.1
337.21527	41.3
355.22580	83.1
449.26913	2.0
452.87527	1.2
467.27783	1.6
499.30402	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	499.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01868	0.9
55.05490	7.2
57.03429	2.1
57.06814	0.7
57.07049	6.1
59.04990	8.4
65.03911	1.3
67.05137	1.4
67.05488	31.2
69.03414	9.8
69.07046	5.0
71.04974	20.2
72.66376	0.9
73.06525	1.6
79.05475	9.2
81.07029	14.9
83.04964	1.2
83.08616	6.7
85.06523	24.0
87.04450	4.5
91.05454	14.8
93.07022	11.5
95.04939	23.6
95.08572	12.1
101.05983	1.0
103.26546	0.9
105.06998	17.4
107.08575	11.5
109.06485	1.3
109.10128	10.2
113.05982	63.0
115.05423	1.3
117.06991	5.7
119.08537	12.1
121.10121	5.6
123.11735	1.8
128.06183	3.4
129.06982	10.4
131.08517	15.8
133.06487	3.6
133.10100	8.9
135.11688	3.4
141.06975	4.1
142.07770	5.8
143.08516	11.0
143.29721	1.0
145.08575	6.0
145.10103	9.7
147.08011	3.4
147.11668	5.1
149.13228	5.8
153.06934	1.4
154.07701	1.8
155.08524	10.0
156.09317	1.8
157.10095	13.0
159.08113	1.3
159.11665	10.4
161.06018	1.2
161.09564	1.3
161.13187	9.2
165.06934	1.5
167.08527	4.1
168.09309	6.3
169.06601	1.3
169.10078	8.2
171.08026	1.6
171.11577	6.2
173.13234	1.4
175.07494	15.3
175.14786	1.9
176.08281	1.7
180.09398	1.3
181.10092	6.1
182.10945	1.1
183.11650	12.8
185.09610	4.7
185.13208	4.1
187.07484	3.5
187.14699	1.7
189.09100	3.8
189.16374	1.9
193.10048	1.4
195.11681	5.8
197.13260	4.6
199.11226	1.5
199.14818	1.6
201.09076	4.2
203.17949	1.1
209.13184	4.9
211.11143	3.9
211.14751	1.2
213.09076	9.9
213.12799	1.0
215.10739	1.7
221.13248	1.5
223.14848	1.1
225.09224	1.1
225.12755	0.9
226.09654	0.9
227.10632	27.0
229.12250	11.9
239.10518	0.9
241.12196	6.9
243.13765	3.7
249.16245	1.3
253.12190	1.4
255.13821	10.8
267.13782	1.0
277.19427	1.7
281.28625	1.0
284.31870	1.1
291.21085	1.4
337.21552	39.6
355.22580	100.0
434.52972	0.9
435.91537	0.8
440.35889	1.3
448.79855	0.9
499.30374	21.2
499.37350	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	499.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10986	2.3
55.43739	1.6
56.96550	4.8
57.07077	3.3
59.06116	2.4
60.08152	16.6
67.05499	5.2
71.07359	2.5
76.49126	2.0
76.54649	2.1
81.07050	9.3
82.65389	2.0
86.09691	37.3
87.10032	16.3
91.05437	2.9
93.07044	2.5
95.08582	5.5
103.75716	2.2
104.10734	62.0
105.07026	4.3
105.11051	23.3
106.11313	2.3
107.08545	5.0
119.08590	2.9
121.10078	2.7
124.99979	22.8
126.00307	2.8
127.00410	3.9
131.08598	2.4
133.10193	2.8
171.11804	3.1
184.07307	40.5
185.07535	19.4
186.07765	22.0
189.16321	2.9
217.12242	9.1
317.17761	3.7
335.18777	17.5
353.19934	15.1
361.37000	2.3
414.06989	2.5
481.21976	2.4
498.34741	24.4
499.24307	100.0
499.30975	11.3
499.36899	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	0.3
54.81652	0.4
55.01853	0.5
55.05487	0.4
57.03424	4.8
57.07066	7.7
57.81016	0.3
57.96660	0.3
59.04987	6.5
65.03905	2.5
67.05490	35.5
67.26998	0.3
69.03414	16.6
69.07048	0.7
71.04974	31.7
73.06532	0.7
79.05473	0.8
81.07052	1.9
83.04957	2.7
85.06526	39.7
87.04454	2.5
88.32553	0.4
91.05446	1.7
93.07028	2.0
95.04943	29.4
95.08577	1.9
99.08052	0.4
99.68617	0.4
101.06019	0.5
105.07000	2.1
105.81084	0.4
113.05988	100.0
115.50040	0.4
117.06997	0.6
119.08587	0.9
121.10101	0.7
122.29922	0.4
129.07013	0.7
131.08533	1.0
133.10100	0.6
140.27443	0.4
142.07785	0.5
143.08531	1.8
145.08565	8.3
145.10179	0.7
153.52036	0.5
157.10115	0.5
159.11700	0.7
161.13283	0.5
166.22771	0.4
181.10153	0.4
183.11687	0.7
185.13065	0.6
187.14780	0.5
209.13191	0.5
337.21481	3.1
355.22809	3.2
499.32095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.66606	0.8
54.81866	1.0
55.01860	1.2
55.05502	2.1
57.03432	10.2
59.04980	5.4
61.02901	1.6
67.05484	6.8
69.03413	26.8
69.07055	18.2
71.04974	34.3
71.46854	0.9
73.02920	1.3
79.05479	10.9
81.03397	2.3
81.07039	100.0
83.04524	0.9
83.04971	6.9
83.08617	1.5
85.02882	23.6
85.06534	1.2
85.61314	1.1
85.95964	0.9
87.04459	10.7
89.06028	1.5
91.05486	1.1
93.07018	9.6
94.00128	1.1
94.07354	1.3
95.04942	4.7
95.08583	4.5
97.02875	18.5
97.06529	7.6
97.10181	1.3
99.04428	1.9
99.08064	5.4
105.07030	4.0
107.08582	19.2
109.02869	1.7
109.06528	5.3
109.10142	27.4
111.08060	3.7
111.11701	7.8
113.06002	1.2
115.03892	10.3
121.10111	4.8
123.11691	32.4
127.03903	1.4
127.07533	1.3
127.11224	1.5
129.15657	1.1
133.04956	6.3
133.10103	6.7
137.05946	1.7
139.11177	17.1
151.11156	30.6
157.08563	1.2
157.12209	15.3
163.03897	1.2
165.74643	1.0
169.12192	35.0
187.13264	98.0
205.14304	15.5
243.56963	1.1
334.61957	1.0
346.66104	1.0
349.18344	1.7
499.17688	9.6
518.80682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.6
55.05508	5.8
57.03427	10.9
58.09480	1.4
59.04992	3.2
59.43079	1.3
60.65225	1.2
67.05495	9.4
69.03420	27.9
69.07050	14.1
70.06604	1.8
71.04976	31.9
71.05331	2.2
73.02922	1.7
79.05479	9.6
81.03396	3.4
81.07039	89.0
83.04965	7.3
83.08587	2.9
85.02884	29.8
85.06532	5.9
87.04463	16.0
91.05457	5.7
93.06516	1.8
93.07012	14.9
93.84978	1.4
95.04946	6.8
95.08608	10.0
97.02877	24.7
97.06542	8.8
97.10149	1.8
97.37493	1.3
99.04404	1.7
99.08044	6.5
105.07035	6.8
107.08582	22.2
109.02882	2.6
109.06489	7.1
109.10130	29.5
110.10491	1.8
111.08076	10.4
111.11701	10.3
113.05984	1.7
115.03923	9.0
119.08578	1.4
121.10134	3.5
123.08069	6.7
123.11678	31.6
125.09622	1.7
127.03904	3.2
127.11134	1.5
130.65463	1.5
133.04970	9.3
133.10109	6.5
135.04523	1.8
137.05948	3.5
139.11188	16.0
141.09116	1.4
145.04970	1.7
151.11169	37.0
152.11543	1.5
153.12770	1.6
157.08517	3.3
157.12227	18.1
163.03880	7.3
169.12204	34.6
171.10249	1.5
187.13263	100.0
189.05280	2.4
197.16754	1.5
205.14313	14.7
250.08110	2.9
301.88785	1.9
349.18381	1.8
400.72495	1.6
499.17801	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	498.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60283	2.9
55.05491	20.6
57.07070	35.3
57.49145	2.9
59.64919	3.9
64.33976	4.1
67.05476	16.6
69.07054	41.2
70.06583	3.8
71.04987	28.0
71.08627	28.1
71.08945	4.2
81.07018	42.6
83.08605	34.4
84.74167	3.2
85.10149	15.8
89.80990	3.0
93.06992	5.6
94.04112	3.3
95.08585	31.8
97.10119	21.2
99.04399	8.1
99.57097	3.7
107.08551	5.7
109.06437	5.3
109.10121	21.0
111.11694	16.8
119.08613	4.5
121.10113	8.6
123.11678	12.9
125.05971	100.0
125.13215	4.4
127.03869	34.2
133.10100	6.6
137.05946	52.3
137.13274	4.6
149.13263	4.3
161.09561	6.9
161.13300	5.2
167.07008	49.3
171.11789	3.9
175.11143	5.7
198.89911	3.5
213.12752	4.9
219.13770	5.3
256.26260	3.7
283.17484	4.1
297.75565	3.6
337.34427	5.2
399.36057	5.5
403.35629	44.4
427.35367	4.2
445.36563	14.5
498.48532	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	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13363	0.7
55.05495	3.8
57.03432	8.9
57.07067	1.8
58.06591	28.8
59.07369	11.4
60.08160	12.0
61.08485	1.1
61.09133	0.8
67.05490	8.3
67.20540	0.9
69.07053	4.1
71.07346	0.9
73.02898	0.9
75.04453	4.2
79.05475	1.9
81.07047	10.8
83.05024	0.8
83.41592	0.9
85.82316	0.8
86.09686	13.5
87.04471	6.5
87.10011	3.5
93.07024	5.2
95.08566	5.0
98.98433	1.4
101.47733	1.0
104.10723	16.6
105.07032	1.6
105.11039	7.0
107.08562	3.6
109.10138	4.5
116.04047	0.8
119.08537	1.5
121.06466	0.8
121.10120	1.9
124.99986	9.1
127.00397	1.1
144.10201	8.5
147.11700	1.0
147.97049	0.9
152.92415	1.0
162.11258	4.7
184.07275	18.0
185.07660	5.6
186.07727	2.0
236.14882	100.0
301.12775	0.8
306.58856	0.9
309.08655	0.9
463.30084	2.0
474.96219	0.9
480.37079	14.0
497.35461	3.8
498.38181	52.6
499.37589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06468	0.7
50.97932	0.7
55.05501	3.8
57.07067	52.6
59.53109	0.7
67.05487	0.9
69.07042	3.4
71.08613	28.6
73.06532	7.5
83.08606	1.9
85.10171	22.2
87.04434	5.5
89.06010	100.0
95.08585	1.6
97.10154	1.8
99.11703	1.8
107.07063	4.1
107.08623	1.3
117.09116	3.1
119.08617	1.1
132.01234	0.9
133.08578	30.5
155.17921	1.7
177.11200	12.8
182.44604	0.9
199.20496	2.8
221.13832	1.8
243.23192	8.9
283.17432	1.8
287.25775	6.5
327.19995	8.5
481.37244	29.0
498.36472	13.0
499.37299	3.4
505.93115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.2
53.03935	1.8
55.01865	0.5
55.03869	0.2
55.05500	2.4
55.71356	0.2
57.03424	1.4
59.04978	0.5
65.03943	0.5
67.05488	11.9
67.05845	0.4
69.03413	4.3
69.07056	1.3
69.81612	0.2
71.04975	2.3
76.13660	0.2
79.05482	1.9
81.03397	13.8
81.07030	10.9
82.07336	0.3
83.04972	2.4
83.08592	0.5
85.02880	3.6
85.06537	0.6
87.04447	0.4
88.00830	0.3
91.05437	3.3
93.07024	5.9
95.04954	5.0
95.08583	7.4
97.02865	4.8
97.06499	1.0
99.04418	2.1
99.08076	0.5
101.06000	2.3
103.05455	0.5
107.08580	2.7
109.02856	13.4
109.06461	2.0
109.10137	42.6
110.03652	0.3
111.04427	1.7
111.08057	0.5
115.03882	0.6
117.03310	0.4
119.08559	3.0
121.02850	0.6
121.06476	18.8
121.10107	1.0
123.04444	0.5
123.11662	0.7
125.05967	1.9
127.03889	5.2
133.10143	0.6
135.04369	1.1
135.08026	1.8
135.11661	0.5
137.05968	1.4
137.09589	100.0
138.10004	0.4
140.04646	1.7
143.08450	0.3
145.02783	0.7
147.04407	0.4
147.08041	0.7
149.05928	0.3
149.13219	0.4
155.07034	0.5
155.10643	4.4
161.88770	0.3
163.03867	3.8
163.07506	1.2
165.09070	61.9
167.06969	0.5
169.06503	0.5
169.12201	1.7
171.06473	1.2
171.07881	0.3
173.09584	0.4
174.09952	0.3
181.04916	24.7
183.10156	5.5
187.13255	1.1
199.05919	1.2
199.07674	0.3
199.09554	0.5
201.11163	4.0
217.12308	0.3
245.11621	0.4
263.12674	0.4
271.16620	0.3
273.10901	0.4
280.38574	0.3
283.15244	0.4
291.12201	6.0
299.16403	0.5
300.16702	0.6
301.16904	0.6
309.13232	29.0
325.08826	0.4
327.14340	4.6
343.09958	1.3
343.34265	0.3
345.15475	1.9
358.73965	0.3
402.99728	0.3
445.20132	0.5
498.20645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.6
53.44242	0.5
55.05495	2.3
57.03429	8.7
57.07064	0.9
59.04989	3.1
60.01900	0.7
60.82298	0.6
67.05495	17.8
69.03416	21.1
69.07046	3.4
71.04977	32.1
76.66885	0.7
79.05460	4.0
81.03412	0.7
81.07038	16.2
83.04920	1.1
83.08572	0.7
85.02888	12.3
85.06528	55.6
87.04448	11.5
90.06198	0.8
91.05452	13.4
93.07018	7.0
95.04958	1.2
95.08558	1.1
97.02882	15.8
97.06548	0.9
99.04446	0.9
105.07010	15.1
107.08582	16.2
109.06497	1.6
109.10143	23.7
111.08080	1.0
113.05966	0.8
115.03922	10.9
121.10094	0.8
123.08073	0.8
123.11681	7.6
125.09555	1.2
127.07570	0.9
133.04948	5.4
133.10103	55.4
139.11195	1.1
143.77928	0.8
150.07585	1.3
151.03867	1.1
151.11160	42.2
157.48465	0.7
169.12202	35.9
187.13261	100.0
206.30656	0.7
231.35904	0.8
299.41345	0.9
487.38660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.2
53.03930	1.9
55.01865	9.2
55.05507	20.9
55.93508	1.3
56.70030	1.4
57.03426	26.9
57.07060	2.0
57.23768	1.2
59.04982	7.6
61.02930	2.0
65.03933	1.6
67.05490	37.8
69.03414	85.1
69.07050	9.2
70.06580	1.4
71.04978	27.4
73.02930	1.4
75.04470	3.5
78.96534	1.8
79.05476	18.5
81.03399	11.2
81.07037	100.0
83.04966	34.7
83.08594	2.2
85.02888	76.5
85.06522	3.2
87.04447	45.3
91.05457	31.6
93.07019	96.0
95.04941	58.0
95.08579	19.5
97.02867	68.6
97.06510	14.3
98.97617	1.9
99.04436	6.1
105.07011	46.2
107.04911	1.4
107.08571	64.8
109.02844	2.9
109.06500	20.3
109.10152	22.8
110.76887	1.6
111.04401	2.0
111.08057	5.7
113.05976	1.8
115.03907	43.8
119.08576	2.7
121.06538	2.6
121.10140	17.1
123.04410	1.7
123.08020	17.5
123.11665	47.3
125.05975	19.9
125.09597	5.9
127.03918	9.4
127.07588	1.9
131.08534	7.4
133.04950	29.9
133.06482	1.9
133.10101	63.2
135.08003	2.6
135.11592	2.0
137.05949	3.7
139.07518	3.2
139.11121	2.0
141.09093	2.3
141.36339	1.6
145.04961	6.8
145.10086	3.2
149.05991	1.8
149.09642	2.2
150.07570	2.4
151.07561	6.9
151.11150	50.6
159.10127	2.6
161.04480	2.6
161.96118	1.9
167.07141	2.1
167.10620	2.0
169.08557	7.8
169.12225	19.4
179.10602	2.1
187.09662	10.5
187.13202	15.9
194.86397	1.8
197.08096	1.8
213.25490	1.6
259.07962	2.8
265.14297	3.3
283.15396	9.1
313.16376	1.8
333.47183	1.5
499.17566	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01853	2.5
57.03408	1.6
57.40347	0.5
60.50118	0.5
61.02889	0.9
69.03419	2.9
69.84274	0.6
79.05463	1.4
81.03395	1.1
85.02901	5.6
91.05465	5.4
92.09033	1.0
93.07026	3.0
94.86584	0.7
95.04924	3.0
97.02858	1.5
98.97541	1.5
103.05436	4.5
107.04917	6.1
109.06480	2.8
110.57707	0.6
117.03365	0.8
119.04895	2.9
120.08062	7.2
121.06475	14.3
123.04398	3.8
125.05933	0.7
131.04897	6.3
131.43259	0.6
133.02838	10.3
135.04425	1.2
137.04984	1.1
137.05943	18.9
140.04655	4.5
145.02750	1.2
147.04390	1.5
148.05150	2.6
149.05946	18.1
151.07495	1.4
152.04778	1.0
153.05437	4.2
154.06195	0.7
155.06982	1.3
159.04362	4.9
161.05872	0.6
162.03114	0.9
163.03848	1.4
163.07568	0.8
165.04071	1.0
165.05429	11.8
166.06194	0.9
167.06990	100.0
177.05420	38.7
179.06924	1.3
181.08592	0.8
182.05702	28.1
191.06985	2.9
194.05783	1.2
195.06458	3.1
197.08051	15.4
204.00691	0.7
209.08054	16.3
212.06659	0.7
225.07608	1.3
227.09096	27.7
253.11143	0.8
271.11685	24.2
301.12793	16.2
372.70508	0.7
432.71118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75943	0.2
57.03425	3.2
59.04979	0.3
67.05468	1.6
69.03068	0.4
69.03412	8.2
69.07044	6.2
71.04961	0.5
74.40725	0.4
76.43312	0.3
79.05462	1.2
81.03385	1.6
81.07030	2.5
83.08610	1.2
85.02882	7.1
85.06534	0.7
87.04457	2.4
91.05431	0.5
93.07005	1.9
95.04939	0.7
95.08577	1.4
97.02863	4.7
97.06471	0.6
99.04402	0.5
105.03365	2.5
105.06972	0.4
107.04903	0.3
107.08557	0.7
109.02840	0.6
109.06493	0.4
109.10131	2.5
115.03883	1.5
119.03489	0.3
119.04917	0.6
119.08582	0.4
121.02855	4.0
121.05174	0.3
121.10134	0.6
123.11684	1.8
127.03838	0.5
127.11171	0.6
133.04950	0.6
133.10164	0.4
136.06157	100.0
137.05914	4.1
137.09541	1.0
145.10062	0.4
147.04283	2.1
148.06155	30.9
151.11160	1.2
169.08595	0.4
169.12106	2.1
178.07233	0.7
179.07053	0.4
187.13306	2.0
191.10699	0.3
204.12401	43.7
209.36705	0.3
210.15013	0.4
268.10294	0.6
273.18558	0.3
283.15268	0.3
301.16483	0.6
336.16547	2.2
356.79868	0.4
366.17661	11.3
498.21811	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	498.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20372	0.7
51.53853	0.6
55.01851	0.7
57.03426	3.0
64.16293	0.8
69.03426	1.8
85.02879	3.8
90.82812	0.7
91.05435	6.8
93.07017	1.8
95.04955	2.9
97.02866	3.4
103.05463	4.6
103.11633	0.8
107.04930	5.8
109.06480	0.9
119.04945	1.1
121.06473	14.0
123.04423	3.4
127.03892	0.8
131.04903	8.1
133.02835	6.9
133.06441	0.8
134.03577	1.3
135.04387	1.4
136.06177	4.0
137.05928	11.7
137.06779	0.8
140.04637	5.3
145.02751	0.9
147.04370	3.6
148.05141	2.9
149.05948	21.4
151.03915	1.0
153.05444	3.5
155.06989	2.9
159.04375	5.9
163.03897	1.2
163.07513	0.8
165.05397	10.1
166.06207	1.6
167.06996	100.0
177.05426	36.9
179.07053	0.8
182.05698	23.8
187.09447	0.7
191.07022	3.5
195.06473	1.6
197.08044	13.3
209.08064	14.4
225.07535	1.3
227.09087	25.3
271.11697	18.5
301.12714	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	498.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37250	0.4
55.01845	0.8
55.05496	0.7
57.03418	2.7
59.04989	0.8
67.05490	4.0
69.03417	9.8
69.07021	0.5
72.08172	0.5
79.05458	2.0
81.03397	1.1
81.07034	3.1
83.04956	2.1
85.02890	9.3
85.85462	0.4
87.04464	3.5
89.06047	0.5
91.05435	0.6
92.08699	1.0
93.07011	3.0
95.04937	1.9
95.08585	36.2
97.02877	5.8
97.06509	1.1
99.04401	0.7
105.06997	2.9
107.08596	1.0
109.06511	5.5
109.10150	0.9
111.04440	1.0
111.08091	0.6
111.34448	0.5
113.02348	32.3
113.05959	0.6
115.03897	3.3
121.06484	0.6
123.04405	4.4
123.08049	25.9
123.11708	0.6
125.05946	2.2
127.03912	0.8
127.07521	0.8
131.03352	1.1
133.04901	2.2
133.06456	8.3
135.04373	1.0
137.05937	0.9
141.09134	0.6
145.02788	0.8
147.04414	0.8
151.07518	57.1
163.03876	2.2
167.07001	0.5
169.08565	100.0
169.12222	3.1
187.09637	3.7
269.98077	0.6
446.12216	0.5
499.17752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90942	0.3
53.00286	0.8
53.03929	0.8
54.37869	0.3
55.01858	2.4
55.05507	2.6
55.25423	0.3
57.03164	0.6
57.03426	8.7
57.07076	0.5
59.05006	2.7
59.05217	0.3
61.02894	0.5
65.42996	0.4
66.66860	0.3
67.05492	7.0
68.63020	0.3
69.03414	22.8
69.07050	6.1
70.06546	0.4
71.04976	5.1
73.02892	2.6
74.06052	1.7
75.04464	0.7
76.30772	0.3
77.65639	0.4
79.05456	2.4
80.39457	0.4
81.03403	3.7
81.06594	0.6
81.07036	11.4
83.04944	2.6
83.08591	2.4
85.02886	25.3
85.06525	3.9
87.04448	7.9
91.05460	8.0
93.07023	7.7
95.04922	1.2
95.08578	4.5
97.02871	16.0
97.06505	2.8
98.97558	0.4
99.04426	4.3
99.08103	1.2
101.02342	0.4
101.05946	0.5
105.07014	7.9
107.08578	12.3
109.02856	3.3
109.06475	2.7
109.10136	26.9
111.08067	4.0
111.11689	0.4
113.05992	1.7
113.09602	1.8
114.01547	0.4
115.03915	8.0
116.07079	0.4
119.08565	0.6
121.06454	0.5
121.10109	2.2
123.08031	1.5
123.11683	9.3
125.09598	2.4
127.03903	8.6
127.07526	2.8
127.11140	0.8
128.04935	4.8
131.08589	0.5
133.04941	5.1
133.06444	0.5
133.10100	32.3
135.08038	1.4
137.05913	2.9
137.09607	0.7
139.11160	1.8
141.12746	0.6
143.10626	0.7
144.06502	0.4
145.02753	0.4
145.04956	2.1
145.12213	0.4
146.05986	100.0
149.09605	1.5
151.03928	0.5
151.11154	31.5
153.09093	0.5
167.07013	0.6
167.10632	0.7
168.11055	0.4
169.11070	0.7
169.12196	36.6
174.05469	69.8
177.05461	0.4
181.08551	0.6
185.15286	0.6
187.13252	26.7
199.09937	0.4
203.16302	0.7
211.09816	0.4
216.06488	0.6
261.81290	0.4
265.17865	1.5
282.07385	0.8
283.15640	0.6
283.18988	2.5
300.08582	5.2
301.19885	0.8
313.11765	2.6
318.09653	13.7
336.10693	33.4
405.21716	0.5
497.16156	0.8
498.16507	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	497.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	11.4
57.07053	7.5
63.36367	5.7
67.05492	25.2
69.07050	28.0
76.41775	6.7
81.07057	56.0
89.90349	5.4
90.15883	6.3
91.05468	27.5
93.07013	39.3
95.08589	86.2
105.07022	36.4
107.08587	89.1
109.10125	45.0
111.39249	7.3
119.08577	56.3
119.68826	6.6
121.10126	57.3
123.11700	14.1
127.61816	6.6
131.08577	15.3
133.10118	46.6
135.11641	43.2
145.10114	30.3
147.11673	35.9
149.13240	10.9
157.10063	9.1
159.11662	34.9
161.13194	32.5
163.14774	49.3
171.11678	14.4
173.13182	17.7
175.14787	11.8
185.13185	6.9
187.14847	8.0
201.16391	28.1
202.29385	8.0
213.16312	13.8
215.17955	36.1
229.19449	13.4
231.41006	7.1
239.17891	7.3
241.19644	9.1
261.18451	9.8
287.19998	9.6
391.33414	11.8
437.33981	40.3
497.30127	38.0
497.36691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77301	3.8
55.05495	4.0
67.05508	10.6
73.42442	4.5
81.07060	15.8
92.08620	7.9
93.91177	4.7
95.08584	19.7
101.06934	4.3
105.07038	6.6
107.08591	20.5
109.10131	16.5
109.96187	3.7
119.08533	9.3
121.10102	18.5
133.10194	5.6
135.11633	6.4
145.10095	4.8
147.04391	7.7
157.10039	6.0
159.11652	8.9
184.12346	4.1
497.30435	100.0
497.36115	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18003	0.8
55.05484	1.5
62.81181	0.7
65.83473	0.7
67.05475	3.3
69.03393	0.9
79.13913	0.7
81.07025	6.2
93.07000	3.4
95.08597	6.8
105.06970	1.8
107.08590	6.9
109.10080	5.0
113.05984	1.1
119.08533	1.8
121.10043	3.6
123.11561	1.0
131.08469	0.8
133.10086	1.3
145.10056	1.2
147.11632	1.9
149.02063	12.4
149.13196	1.9
177.16322	1.2
217.01753	0.8
312.33817	0.8
353.20660	1.9
433.30145	5.4
439.51047	0.9
451.31195	5.3
479.31030	1.1
483.96271	0.9
497.31763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3599
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
51.55603	1.3
54.12273	1.2
55.05491	1.6
57.07063	7.7
63.34932	1.1
63.35335	1.3
67.05497	1.8
69.07045	1.4
71.08608	2.5
75.33855	1.2
81.07040	2.1
86.45129	1.4
89.06030	2.0
92.09026	7.6
95.08565	2.2
109.10174	1.6
131.08377	1.5
133.08585	1.6
174.37053	1.4
192.40041	1.4
277.48730	1.5
283.13370	1.4
319.21008	1.5
411.25693	2.4
480.38785	1.6
497.36023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3621
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
55.05507	1.9
57.07050	1.6
67.05492	2.4
68.41078	1.3
69.07043	7.3
79.05463	8.9
81.07038	10.6
82.54287	1.3
83.08587	2.8
88.18957	1.4
89.06005	17.1
91.05449	3.0
93.07030	9.3
95.08575	18.7
95.70109	1.6
97.06522	2.2
99.08101	1.5
105.07002	15.6
107.08573	16.5
109.06513	2.0
109.10131	13.7
119.08555	36.2
121.06499	1.9
121.10110	13.0
123.11678	2.2
125.05930	13.9
131.08580	4.8
133.08578	2.1
133.10107	21.9
135.08012	1.8
135.11682	7.1
139.07524	6.9
145.10072	17.6
147.11667	23.1
149.09587	2.4
157.10104	3.6
159.08008	3.3
159.11674	7.3
161.09605	1.6
161.13235	6.5
169.10124	2.6
173.09535	9.0
173.13239	2.2
175.11169	9.2
177.09082	2.3
177.84187	1.5
187.11169	9.8
187.14790	12.2
189.16341	100.0
191.10652	7.3
197.13251	7.9
203.17856	1.6
205.15836	3.5
207.17407	2.2
211.14792	1.9
215.14285	26.0
229.15819	60.5
231.17403	7.6
232.90331	1.7
233.15303	35.9
243.17378	3.0
247.16852	16.9
249.16220	1.4
249.18393	12.8
283.17560	8.2
284.18054	2.1
297.22208	2.1
332.98080	1.6
419.32935	2.9
434.02579	1.7
437.34109	8.4
479.35205	14.1
497.29190	2.2
497.36212	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	497.3106
Annotation	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide
Peak:m/z	Relative Intensity
53.03941	5.2
55.01864	2.4
55.05497	7.6
57.03429	12.4
58.43998	1.1
59.04963	1.3
61.02916	14.8
67.05492	17.3
68.59905	1.1
69.03415	40.2
69.07048	7.7
71.04971	5.8
73.02906	5.9
79.05473	17.7
81.03401	20.3
81.07036	43.1
83.08599	7.7
85.02890	100.0
87.04453	9.2
91.03930	7.0
91.05458	23.8
92.08866	1.6
93.07021	27.6
95.04955	2.6
95.08582	31.6
97.02872	36.6
97.06507	2.4
99.04434	6.1
101.02302	1.3
103.89346	1.2
105.07004	35.8
107.08572	45.7
109.02857	14.1
109.06499	1.9
109.10152	19.8
111.08064	1.3
117.06979	10.9
119.08562	65.2
121.10135	20.7
123.11669	7.9
127.03895	20.7
128.06168	1.5
129.06955	2.9
131.08543	28.8
133.10104	43.0
135.11668	16.9
137.09590	3.0
137.13235	1.9
143.08540	16.7
144.09384	1.6
145.04968	12.8
145.10097	39.2
146.46480	1.3
147.11684	34.2
149.13235	18.6
151.11111	2.3
155.08524	2.3
156.09290	2.1
157.10091	20.4
158.10899	2.1
159.11662	30.1
161.13194	20.0
163.11191	1.9
163.14804	6.9
169.10065	5.8
171.11649	22.2
173.13210	59.2
175.11185	1.4
175.14801	8.4
183.11661	5.8
185.13226	22.7
187.14760	30.6
189.12737	1.8
189.16344	2.2
194.23940	1.2
197.13234	7.7
199.14783	23.2
201.16354	7.0
203.14322	2.7
205.15961	1.7
211.14828	7.6
213.16402	6.4
225.16379	8.1
227.17932	1.8
239.17882	2.7
241.19463	7.7
253.19510	2.4
255.21034	8.3
259.03137	1.5
281.22577	67.4
299.23648	73.7
317.24719	29.9
335.25681	2.9
461.28873	37.2
479.29935	90.8
479.36908	3.0
497.30734	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	497.3101
Annotation	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide
Peak:m/z	Relative Intensity
53.03947	4.8
55.01860	2.8
55.05502	9.4
57.03423	12.1
59.48151	1.8
61.02900	12.8
62.25006	2.0
67.05497	16.9
69.03413	39.7
69.07057	3.7
71.05012	2.5
73.02901	4.3
79.05485	20.1
80.71897	2.2
81.03407	13.5
81.07036	38.0
83.01380	3.0
83.08587	4.6
83.95322	2.2
85.02368	3.2
85.02889	100.0
87.04436	5.2
87.61455	2.4
91.03918	2.9
91.05453	25.4
92.08849	5.6
92.09335	2.3
93.07024	28.1
95.08583	36.1
97.02885	37.7
99.04445	3.2
105.07028	36.6
107.08585	48.4
109.02888	10.0
109.10144	20.7
117.07001	9.7
119.08556	76.2
121.10149	15.2
123.11693	4.7
127.03922	24.3
129.06978	2.2
131.08548	23.7
133.10106	39.7
134.06297	2.8
135.11662	17.6
137.09615	4.0
143.08568	14.5
145.04973	14.2
145.10101	44.7
147.11667	32.0
148.48790	2.5
149.13268	14.8
155.08554	4.2
156.09337	2.3
157.10129	23.0
159.11662	29.6
161.13196	20.1
163.14764	4.1
169.10135	4.7
171.11646	24.4
171.77939	2.3
173.13225	64.0
175.14807	9.4
183.11719	9.0
185.13206	31.9
187.14763	31.5
197.13208	5.5
199.14799	27.8
201.16403	3.8
205.15825	4.2
209.36974	2.1
211.14865	12.0
213.16396	4.3
225.16368	10.9
239.17921	5.5
241.19510	12.9
255.21028	4.7
257.22604	2.8
281.22586	89.7
299.23621	77.1
317.24838	26.4
461.28894	45.3
479.30048	85.5
497.31064	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	497.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35838	1.5
54.82035	1.5
55.05499	3.3
57.03432	3.5
57.90676	1.2
65.62138	1.3
67.05489	6.4
69.03403	2.1
69.07054	3.4
72.24891	1.4
75.06778	1.5
76.41587	1.4
79.05485	10.8
81.07040	26.9
83.08616	6.9
85.02880	2.9
91.05460	15.9
93.07016	23.0
94.75440	1.4
95.04992	2.0
95.08583	27.8
100.11235	1.9
105.07008	20.8
107.08577	33.2
109.10154	15.0
111.08024	1.7
117.06971	3.7
119.07714	2.3
119.08555	63.5
121.10088	12.8
123.11682	7.3
131.08546	17.9
133.10118	33.9
135.11690	14.5
136.33130	1.5
136.98018	1.6
143.08530	7.6
145.10133	19.9
147.11661	21.4
149.13234	13.0
157.10071	12.2
159.11696	21.4
161.13223	8.7
163.11177	1.9
163.14775	2.5
169.10117	1.8
171.11597	11.2
171.94818	1.5
173.13217	54.0
175.14812	8.1
185.13237	16.8
187.14793	28.1
189.12727	1.9
191.14317	2.1
191.52922	1.7
197.13219	3.2
199.14806	20.7
201.16315	3.4
204.30205	1.9
205.15849	1.8
211.14862	5.9
213.16452	8.0
225.16385	6.2
227.87187	1.5
239.17979	2.9
241.19438	2.3
255.20992	3.7
259.20462	2.1
273.22089	1.7
281.22565	39.0
299.23624	88.9
317.24680	100.0
335.25711	66.6
496.39490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.07083	3.5
59.04967	15.1
67.05497	45.5
69.03421	19.6
71.04977	27.0
72.17720	4.0
72.84515	3.7
77.40157	3.5
79.05470	9.2
80.35548	3.1
81.07039	7.9
83.08602	4.7
85.06535	40.7
86.00832	4.0
87.04450	5.3
91.05459	7.4
93.07021	8.1
95.04933	23.9
95.08580	7.2
101.32887	4.0
105.07021	18.9
107.08576	5.5
113.05988	95.9
119.08525	5.6
127.60559	3.9
128.06198	4.9
129.06981	4.5
143.08530	7.9
145.08606	8.7
145.10123	4.2
155.08537	6.5
157.10056	7.8
158.94356	3.9
159.11681	4.2
165.07019	5.3
167.08571	6.4
169.10150	16.1
179.08594	4.7
181.10132	9.7
183.11705	5.3
193.10040	6.4
195.11690	6.7
207.11774	9.7
209.13213	4.4
219.11687	10.3
221.13271	5.7
223.11014	4.7
225.09128	9.6
227.10623	10.1
233.13379	6.4
235.14806	5.1
241.12100	9.0
253.12236	24.5
261.16293	5.1
265.11942	5.3
267.13702	8.9
275.17798	5.5
279.13782	14.9
293.15192	4.8
307.17075	8.3
335.19940	89.2
353.21091	100.0
497.27991	45.1
497.36426	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	497.3105
Annotation	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide
Peak:m/z	Relative Intensity
53.03906	0.8
55.01861	1.0
55.05496	5.2
55.93624	0.6
57.03424	4.6
59.12873	0.8
61.02904	3.6
61.77826	0.7
66.41272	0.7
67.05492	12.5
69.03412	11.4
69.07047	3.9
71.04972	0.8
71.10855	0.7
73.02891	0.8
76.56432	0.7
79.05476	7.0
81.03384	4.4
81.06588	1.3
81.07034	22.4
83.08588	4.7
85.02885	34.8
85.98080	0.7
87.04452	0.9
91.03944	0.8
91.05441	8.0
93.07020	13.6
95.04927	1.4
95.08579	23.4
97.02876	10.2
97.10136	0.7
99.04413	1.2
105.07005	18.6
107.08588	16.2
109.02861	4.8
109.06425	0.8
109.10135	26.8
113.09624	0.8
117.06984	3.8
119.08541	21.6
121.10106	13.1
123.11707	3.9
127.03888	5.4
129.06956	1.2
131.08553	11.6
133.10106	14.9
135.08015	1.2
135.11682	11.1
137.09592	13.4
141.06967	1.0
142.07695	1.0
143.08511	7.9
145.04955	3.2
145.08983	1.3
145.10085	22.6
147.11661	15.4
149.13231	11.6
151.11156	1.2
155.08522	1.7
156.09267	1.6
157.10100	9.9
159.11668	16.1
161.09529	1.1
161.13225	12.0
163.14780	4.5
165.12682	0.9
169.10132	1.3
171.11644	30.8
173.13239	21.5
175.14778	3.7
177.12761	1.1
185.13226	12.6
187.14824	10.5
189.12706	5.2
189.16255	3.0
191.14246	1.7
197.13190	4.5
199.14777	14.2
201.16344	5.0
203.14302	6.6
211.14830	7.4
213.16241	7.5
215.17924	1.6
217.15779	1.5
225.16302	8.2
227.17812	7.1
239.17924	5.8
241.19510	7.7
243.17265	0.9
253.19630	1.1
255.21011	23.4
257.22562	11.2
266.20218	1.3
271.20688	0.8
271.24124	4.0
280.51114	1.0
281.22586	71.8
299.23639	100.0
317.24704	31.5
335.25732	70.7
450.94888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84653	1.7
53.03949	3.6
54.81787	1.9
55.05485	10.6
57.03418	14.0
57.07043	3.5
59.04992	17.5
61.02902	10.4
61.52384	2.2
67.05491	58.5
69.03416	24.2
69.07034	8.5
71.04977	38.1
77.85165	2.0
79.00385	2.4
79.05481	22.3
81.07034	26.8
83.04951	4.2
83.08593	14.3
85.02891	10.9
85.06531	29.0
87.04448	5.3
91.03943	2.9
91.05447	15.2
92.08659	7.0
93.07021	17.4
95.04952	48.9
95.08576	33.2
96.75471	2.2
97.02880	3.8
105.07016	22.4
107.08576	15.6
109.06425	2.6
109.10122	11.4
113.05988	100.0
117.06994	3.8
119.08560	12.2
121.10104	11.4
128.06232	3.2
129.07004	9.3
131.08527	16.5
132.25905	3.1
133.10124	5.3
142.07611	3.4
143.08533	9.4
145.08571	5.7
145.10138	14.8
147.11665	4.1
153.06998	3.8
154.07736	4.4
155.08540	19.2
157.10114	12.1
159.11674	16.1
161.13153	2.6
165.06981	15.6
166.07745	15.5
167.08527	9.6
168.09332	4.0
169.10088	13.4
179.08517	13.8
180.09235	5.0
181.10086	89.9
183.11665	13.5
187.95987	2.4
192.09311	2.7
193.10114	11.2
194.10872	3.7
195.07980	4.4
195.11671	33.6
197.13266	10.0
205.10126	3.4
207.11720	12.8
209.13252	17.6
213.09229	3.4
219.11726	5.0
221.13185	12.4
223.14879	3.8
225.09149	8.2
227.10616	5.0
229.12410	3.0
233.13078	16.8
235.11024	4.6
235.14864	9.1
239.10690	5.5
241.12190	9.8
243.20995	2.4
247.14796	5.7
249.16280	3.8
253.12227	13.8
259.14508	2.9
261.16309	4.8
267.13727	10.2
275.17947	3.0
279.75403	2.8
289.16220	2.9
289.19449	14.4
291.20923	4.5
307.16782	2.7
317.18964	5.8
335.19998	62.5
335.24377	3.5
335.25607	3.9
336.20407	2.4
343.66962	2.4
353.21011	75.0
497.31674	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03217	0.7
54.62118	0.6
55.05492	0.7
57.30136	0.6
59.06099	1.3
65.99639	0.7
67.05479	1.7
69.03391	0.7
69.07050	1.1
69.40779	0.8
76.32475	0.7
79.05464	1.3
81.07025	3.9
83.08611	1.0
87.04426	2.0
87.43945	0.7
91.05445	0.9
93.07005	3.7
95.08571	4.4
97.10133	1.0
105.02466	0.8
105.07008	1.9
107.08574	4.0
109.10123	3.0
115.11423	1.0
119.08543	5.4
121.10123	4.3
122.13194	0.9
133.10127	1.8
135.11676	3.6
145.10095	2.0
149.13243	1.5
159.11624	1.1
161.13239	0.8
167.06766	1.0
173.13210	1.1
176.91351	1.0
187.14764	1.7
191.17888	1.0
201.16286	1.2
231.97179	0.8
435.32358	1.6
456.35593	1.4
467.34821	28.5
497.29126	29.9
497.35590	100.0
518.61786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.6
57.07059	8.5
59.04978	9.9
61.62709	1.4
67.05484	41.5
69.03413	66.0
69.07037	2.1
70.30551	1.3
71.04973	32.7
72.29842	1.3
73.06516	3.0
79.05463	9.8
79.76572	1.2
80.62865	1.4
81.07027	11.2
83.08600	3.6
85.06524	37.1
86.82314	1.2
91.05456	9.4
93.07014	9.4
95.04941	18.0
95.08561	11.3
99.49187	1.5
105.07010	19.6
107.08588	7.1
109.06477	1.9
109.10137	5.2
113.05988	75.3
117.07005	2.7
117.64772	1.5
117.69270	1.4
119.08549	7.9
121.10103	2.6
121.72781	1.4
123.07890	1.6
129.06985	5.8
131.08527	7.9
141.06929	5.3
143.08533	7.0
145.08540	16.6
145.10088	6.5
147.11667	2.5
155.08528	10.8
157.10118	7.3
159.11629	9.8
165.06950	2.2
166.07771	3.4
167.08533	6.9
168.09279	5.5
169.10146	11.4
171.11690	3.6
175.07373	2.9
179.08522	8.5
180.09218	3.4
181.10059	17.7
183.11664	7.3
191.08533	2.0
192.09335	2.9
193.10095	8.9
195.07967	2.5
195.11671	12.1
197.13254	3.3
199.07570	1.7
205.10132	6.0
206.10814	2.5
207.11577	13.5
209.09695	2.0
209.13242	6.3
211.11145	2.1
213.08995	2.8
217.10091	1.7
218.10858	2.1
219.11597	6.6
220.12514	1.7
221.09779	2.1
221.13225	9.6
223.11174	2.6
223.14789	2.1
225.09093	12.1
225.12462	1.5
227.10655	8.5
229.12239	2.7
233.13217	6.6
235.11095	7.4
235.14784	2.9
237.09111	2.0
239.10632	7.0
240.31169	1.5
241.12157	6.3
243.17369	1.3
245.13260	1.9
247.14841	2.8
251.10600	2.0
251.17964	3.6
253.12183	20.5
255.13699	2.3
261.16345	7.0
265.12122	3.3
266.13065	3.0
267.13739	13.8
274.16980	2.2
275.17905	8.3
279.13815	12.5
280.14581	2.1
281.15201	3.0
289.16043	3.0
289.19385	3.3
293.15125	3.1
293.18979	1.7
307.16998	11.2
307.20050	1.7
317.18988	3.5
320.17691	5.5
335.19946	59.0
353.21024	100.0
367.21310	1.5
451.31485	2.3
467.34741	18.2
479.31058	2.2
497.29068	63.5
497.35550	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.5
55.05497	1.1
57.03416	3.4
57.26936	0.7
61.02917	1.2
61.76267	0.7
62.71328	0.8
67.05481	4.7
69.03408	7.8
69.07053	4.8
71.04992	0.8
73.02895	1.2
79.05479	3.8
81.03382	4.8
81.07030	6.6
81.81273	0.8
83.04957	4.1
85.02419	1.1
85.02890	20.3
85.06528	1.6
87.04475	1.3
91.05445	3.0
93.07023	5.4
95.04974	1.0
95.08586	6.2
97.02849	4.4
97.06532	9.3
99.04389	1.0
105.07022	7.3
107.04948	1.0
107.08577	4.8
109.02871	4.7
109.06489	0.9
109.10139	7.6
111.08039	1.7
117.07007	3.1
119.08571	4.8
121.06483	4.3
121.10110	0.8
123.08025	1.1
125.06014	1.0
127.03879	3.3
128.06242	0.9
129.06981	1.9
131.08534	7.6
133.06490	1.6
133.10107	3.2
135.08035	1.9
137.06029	1.1
137.09595	14.0
141.09058	1.1
143.08527	9.5
145.06441	1.5
145.10095	12.7
147.08002	5.3
149.09566	1.1
149.13297	1.5
155.08566	6.4
155.10533	1.1
157.06558	1.0
157.10098	5.8
158.95654	0.8
159.08029	5.3
159.11678	0.9
161.09593	11.7
163.07520	1.3
165.09050	9.1
166.07768	1.1
167.08548	4.9
167.14339	1.0
169.10091	8.4
171.07997	22.3
173.09573	40.0
180.09309	1.0
181.04889	4.4
181.10072	5.2
183.11716	5.8
185.09625	1.2
185.13307	1.1
192.09309	1.2
193.10075	4.4
194.10899	1.0
195.11699	6.2
197.09605	5.7
197.13263	5.0
198.10367	1.0
199.11166	9.9
200.80132	0.8
206.10733	0.9
207.11668	5.2
209.09520	1.0
209.13168	6.4
210.10454	0.9
211.11052	8.2
211.14777	1.0
212.11948	1.4
213.12703	4.2
215.14310	2.0
220.12576	1.0
221.13199	7.6
223.11145	1.1
225.12679	7.0
227.14238	7.5
235.14760	3.6
237.12659	11.8
239.10574	1.2
239.14236	16.1
241.12164	3.2
243.13911	1.7
245.13268	1.2
248.11888	1.3
253.15738	6.2
255.13795	8.8
257.15314	6.2
263.14151	8.5
266.12991	1.1
271.16809	14.4
281.15295	11.2
299.16354	100.0
309.13278	2.0
317.17386	23.3
327.14273	0.9
335.18546	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	496.3396
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.83810	0.7
54.81678	0.8
55.05504	0.9
55.10796	0.6
57.07061	5.0
58.06599	1.0
59.04984	0.8
60.08152	19.5
67.05475	1.3
71.07353	7.6
71.08624	4.2
85.10139	1.4
86.09692	70.0
91.61077	0.8
91.99442	0.7
92.08637	1.4
95.08578	1.5
98.98457	4.6
104.10728	100.0
109.10141	0.9
111.77444	0.7
124.99067	1.8
124.99983	40.4
141.65646	0.8
143.11963	0.8
163.01669	0.9
163.48529	0.7
179.67294	0.8
184.07317	97.6
222.53474	0.9
267.01443	0.8
313.27350	1.5
478.32684	5.8
496.33963	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	496.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80935	3.2
52.03857	3.0
53.04725	3.3
55.05499	22.9
57.07056	4.1
59.85820	3.4
61.02903	3.0
62.95433	3.0
67.05479	28.2
68.76974	3.3
69.07059	30.3
72.78564	4.4
75.75800	3.5
79.05475	21.5
81.07031	52.2
83.08622	4.8
84.91959	3.9
91.05451	16.1
93.07017	43.4
95.08585	100.0
97.10152	7.1
105.07022	27.8
107.08572	69.9
109.10143	60.9
111.08076	18.5
117.06966	5.0
119.08546	57.7
121.10104	48.1
123.11668	17.2
131.08553	27.3
133.10100	44.1
135.11699	22.2
138.81972	3.8
143.08549	15.8
145.10097	36.9
147.11655	26.2
149.13222	20.8
157.10132	21.8
159.11615	28.3
161.13225	14.0
163.14795	37.1
169.10062	9.2
171.11705	14.2
173.13237	16.0
175.14842	17.5
177.09193	4.1
177.16338	7.8
183.11673	15.0
187.14801	8.2
189.16269	30.0
197.13139	3.9
201.16397	19.0
203.17966	21.0
211.14778	6.1
213.16463	6.8
215.17950	25.8
219.17438	4.7
221.19008	14.8
239.17903	23.5
241.19684	4.2
243.21112	5.0
247.16833	6.6
253.19568	8.0
284.46262	4.1
285.18460	18.2
295.23978	4.5
380.64279	4.1
391.33331	17.5
409.34808	6.0
425.34106	6.7
437.34021	23.1
455.34534	7.9
495.35690	5.1
496.29803	20.0
496.35593	35.0
497.31537	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	496.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
57.03423	0.6
57.07065	0.9
59.50107	0.3
60.07868	0.5
60.08154	9.4
67.05479	2.0
69.07068	0.6
71.07370	3.4
79.05473	0.7
81.07050	3.1
81.14211	0.4
86.09695	49.2
91.34007	0.4
92.09316	0.4
93.07022	1.7
95.08597	3.2
98.98425	3.5
104.10743	3.1
105.06992	0.7
107.08559	1.7
109.10143	1.9
114.65434	0.4
119.08566	2.2
121.10136	1.7
122.34958	0.4
123.11690	1.0
124.99990	34.1
133.10138	1.7
135.11687	0.9
145.10109	0.4
147.11705	0.6
148.05917	0.5
157.10059	0.5
161.13188	0.5
173.13130	0.5
177.05231	0.5
177.16373	0.4
184.07317	100.0
206.08684	0.4
206.10680	0.4
221.60307	0.4
229.19749	0.5
235.20430	1.6
258.33813	0.4
283.17160	0.5
301.51083	0.4
362.01563	0.5
409.34589	0.6
414.15875	0.5
436.40750	0.4
437.34415	0.5
443.38980	1.5
455.34787	2.7
478.32495	1.0
495.34171	0.7
496.34485	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	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.6
53.03934	3.1
54.81955	1.4
55.01857	3.4
55.05502	16.1
56.96604	1.3
57.03421	24.9
57.07061	6.3
59.04980	5.9
61.02904	2.7
65.03934	3.2
67.05489	31.4
69.03068	2.9
69.03416	63.0
69.07056	23.0
71.04973	17.5
73.02885	3.4
75.04469	1.8
79.05472	30.3
81.03399	16.4
81.07033	58.7
82.07352	2.0
83.04946	7.3
83.08597	12.2
84.54070	1.5
85.02420	3.2
85.02893	57.9
85.06533	34.7
86.03234	1.7
87.04446	34.4
91.05450	17.3
93.07021	84.7
95.04948	7.4
95.08579	51.2
95.96436	1.9
97.02869	44.2
97.06509	9.3
97.10146	6.7
99.04427	10.2
99.08055	2.8
101.05970	2.1
105.06997	24.2
107.08575	100.0
108.08932	2.7
109.02860	9.4
109.06517	8.4
109.10140	53.5
111.04441	1.8
111.08062	11.2
115.03892	28.6
117.05534	2.3
117.06993	2.7
119.04897	4.0
119.08498	12.8
121.02838	3.8
121.06538	2.1
121.10117	44.7
123.08029	2.9
123.11671	18.7
125.09621	7.7
127.03889	9.0
129.06891	1.8
131.08536	6.9
132.06734	2.1
133.04962	17.2
133.10127	8.1
135.08035	3.3
135.11679	7.0
137.09575	29.7
137.13206	14.2
140.04712	3.5
145.04965	3.9
145.10095	3.5
147.04396	2.3
147.07980	1.8
147.11662	8.2
148.07483	1.9
148.12015	2.3
149.13226	68.6
151.03848	3.8
157.10085	3.0
159.11627	2.8
160.12167	2.0
161.09627	2.4
161.13232	3.4
163.11133	2.7
165.09062	14.4
167.14287	14.9
171.06474	2.5
171.11667	3.1
175.03793	3.6
177.05356	2.2
181.03346	2.4
181.04918	65.0
183.11621	2.0
185.11745	2.4
185.15340	58.2
189.12669	13.1
190.13000	3.0
193.04932	2.0
199.05937	3.0
199.14685	1.7
207.06509	3.9
207.13748	2.9
215.14377	1.6
235.16838	3.4
279.20944	2.0
280.21487	2.8
297.22015	8.4
298.22403	7.8
299.18344	1.8
309.13278	6.4
315.23038	8.5
316.23428	3.8
325.09018	2.7
333.24100	3.6
334.24524	3.1
343.10306	1.9
496.29755	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	496.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	0.4
53.03937	2.0
53.54326	0.4
55.01865	2.4
55.05508	1.0
57.03429	4.7
57.07066	3.2
57.26686	0.4
59.05052	0.3
61.02908	7.3
62.14868	0.5
63.21699	0.4
64.34373	0.4
67.05492	5.2
69.03413	16.6
69.07052	7.1
71.04974	2.1
72.51549	0.4
73.02909	3.3
73.03248	0.4
79.05479	8.4
81.03397	5.2
81.07037	100.0
85.02889	83.2
85.06533	0.5
87.04458	4.0
91.03947	4.0
91.05422	0.9
92.08916	1.6
93.07030	2.8
95.08584	22.5
97.02866	20.2
97.03488	0.8
98.14595	0.5
99.04428	3.6
101.02342	0.5
104.43455	0.5
105.06992	1.7
107.08557	0.9
107.09711	0.5
109.02859	7.5
109.10197	3.0
111.04391	0.4
111.08053	0.5
111.11719	0.4
115.03906	2.3
119.08505	0.8
121.10075	0.6
127.03883	18.5
129.28920	0.5
131.08569	0.6
133.10054	0.7
137.13225	18.8
145.04941	26.1
145.10089	3.0
146.05997	0.8
147.11659	0.6
157.10072	0.5
159.11604	0.6
163.05986	10.6
163.11081	1.8
167.08490	2.6
167.14238	0.5
208.51157	0.5
217.15726	0.5
254.19917	0.6
265.75125	0.5
289.09256	0.6
299.19806	0.7
300.20154	1.0
317.21042	0.7
325.11395	3.4
371.12192	0.5
502.50128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.344
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	1.4
71.04464	1.1
79.05496	1.2
79.46736	1.3
80.26475	1.0
83.08633	2.1
95.08604	1.9
105.07005	1.9
107.08574	1.4
111.86604	1.3
117.78825	1.2
145.02846	1.4
165.10474	1.2
269.20352	1.4
439.69189	1.7
495.34512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52541	0.7
67.05492	0.8
69.07056	1.4
73.26376	1.0
81.07021	1.3
93.07019	1.5
95.08572	3.4
105.06984	1.3
107.08566	1.9
109.10145	0.9
121.10126	1.6
135.11668	0.9
139.07498	1.5
172.15767	0.9
268.97159	0.9
285.29724	0.9
453.53644	1.1
495.30051	28.5
495.36166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88477	2.6
54.88943	3.2
55.05505	15.2
57.07067	37.6
64.12170	3.3
67.05495	5.6
69.07045	23.3
71.08613	21.4
75.66277	3.2
79.05482	3.8
81.07038	21.6
83.08620	13.2
85.10155	6.9
85.91422	3.0
89.79691	3.7
93.07053	5.3
95.08585	17.3
97.10158	14.0
109.06532	11.3
109.10142	6.1
111.08044	4.4
116.67515	3.1
123.08067	6.2
125.05998	16.3
127.07545	18.0
131.13724	2.9
137.05965	4.7
138.13293	3.1
139.07527	100.0
153.17815	3.9
177.09093	4.7
177.34564	3.3
184.53896	3.1
312.13504	3.1
417.36697	4.4
445.36511	21.1
477.39310	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01856	3.8
55.05494	4.5
57.03219	0.6
57.03431	9.7
59.04965	1.1
67.05490	7.6
69.03071	1.2
69.03420	24.1
69.07055	11.5
71.04976	6.8
72.08112	0.7
73.02901	0.9
73.46997	0.6
75.04443	0.7
79.05052	0.9
79.05475	16.6
81.03391	3.1
81.06598	1.0
81.07041	24.0
83.04937	3.0
84.72583	0.6
85.02890	17.4
85.06547	0.8
87.04461	12.0
89.61626	0.6
91.05468	7.0
93.07026	35.8
95.04948	1.3
95.08571	4.1
97.02870	17.2
97.06495	4.3
99.04431	4.8
99.08054	0.8
105.07021	9.0
107.04942	7.1
107.08580	18.4
109.06499	1.0
111.04440	3.7
115.03909	11.1
115.07538	1.1
119.08580	1.1
120.08120	1.0
121.06478	3.1
121.10130	37.2
123.08032	1.3
123.11691	2.6
125.05974	3.1
125.09563	0.9
129.06947	2.9
131.08548	31.3
133.04947	7.2
139.11198	3.4
149.09605	76.7
150.07578	1.3
167.10655	31.6
173.12718	0.8
177.05399	1.0
185.11702	100.0
207.00444	0.7
497.16138	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45516	0.6
53.99536	0.6
67.05483	1.2
69.07064	1.2
79.05486	0.8
81.07041	1.2
82.59049	0.7
85.89923	0.6
92.09267	0.9
93.07018	1.5
95.08567	2.7
107.08546	1.0
121.10131	1.5
123.08022	0.7
133.10164	0.7
159.11633	0.9
177.05490	0.7
385.72260	0.7
414.34497	0.8
423.36493	0.7
469.58115	0.7
495.33994	100.0
496.29922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84055	0.4
67.05491	0.5
67.61226	0.4
67.95965	0.4
69.07039	0.5
71.98492	0.4
76.06474	0.4
79.05447	0.5
81.07034	0.9
95.08560	0.8
98.05682	0.5
107.08579	1.0
108.26210	0.4
110.56265	0.4
112.10927	0.4
116.98530	0.4
133.10208	0.5
149.02393	0.5
163.14558	0.5
173.51187	0.4
309.33432	0.4
495.34692	100.0
496.34592	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	495.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90305	3.3
66.64043	4.3
72.70270	3.9
92.08686	5.8
119.08559	4.3
122.98672	4.4
145.43443	4.2
299.49719	4.7
386.79575	4.2
453.33447	6.9
454.33563	19.9
463.31726	100.0
495.23865	41.6
495.29645	12.4
495.34048	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.5
53.03941	5.4
55.01863	3.5
55.05497	22.7
57.03436	19.5
57.07066	4.3
60.04518	3.4
61.02911	6.8
61.43521	2.4
67.05489	41.2
69.03416	55.8
69.07055	25.2
71.04978	12.5
73.02914	4.6
79.05481	42.5
81.03400	13.8
81.07035	85.5
82.39526	2.8
83.04962	11.4
83.08607	11.1
85.02891	96.2
85.06526	24.8
86.03215	3.3
86.09681	14.7
87.04460	26.5
91.05456	58.3
92.09285	3.5
93.07019	74.6
95.04941	10.9
95.08584	70.6
97.02872	42.1
97.06484	6.3
99.04432	14.3
99.08067	12.1
99.14884	3.0
101.05974	5.3
105.07011	75.3
107.08575	96.8
108.08130	4.7
108.08876	3.5
109.02859	15.9
109.06500	12.9
109.10144	54.2
110.06065	2.9
110.06792	3.6
110.10464	4.3
111.08073	13.7
115.03929	6.3
117.03360	4.8
117.07005	22.1
118.03733	3.3
119.04898	6.8
119.08562	65.3
120.05286	3.5
120.08081	69.0
120.08864	6.3
121.06431	6.4
121.10126	52.3
123.08024	6.4
123.11658	26.3
125.09563	11.3
127.03879	19.4
129.06949	6.8
131.08528	44.2
133.04929	7.0
133.10095	96.9
135.08043	5.8
135.11652	36.9
136.07521	13.0
137.09578	28.1
137.13261	11.5
142.07831	3.6
143.08556	26.6
145.02811	21.1
145.04958	6.6
145.10098	98.6
146.03162	5.8
146.10466	3.6
147.04385	31.3
147.08052	3.6
147.11685	52.1
148.04770	22.7
148.12036	4.5
149.09624	6.1
149.13245	17.8
151.03845	4.1
151.11147	49.9
152.07091	3.4
155.08554	6.7
157.10078	30.6
159.11665	58.3
161.09586	5.1
161.13255	30.4
163.11156	41.4
164.07024	55.5
165.09076	13.8
165.12727	13.3
166.13054	3.7
167.07037	3.1
169.10094	12.4
171.11707	25.6
173.09671	4.2
173.13104	29.4
175.14781	11.2
177.05429	23.1
177.12747	3.5
178.05791	4.4
179.10518	2.9
181.10097	5.6
183.11676	16.3
185.13231	26.9
185.15509	3.5
187.11107	4.4
187.14792	11.3
189.12704	49.4
195.11705	4.5
197.13237	21.1
199.14819	18.3
201.12578	6.4
201.16423	5.3
202.17159	3.2
203.14279	15.5
207.13705	24.2
209.13164	6.2
211.14755	10.5
213.16362	15.0
215.17960	5.4
221.13171	2.7
223.14842	15.9
225.16164	4.1
227.17961	3.8
237.16270	5.0
239.17946	6.1
241.19411	3.1
253.19527	13.5
255.21001	24.5
259.16681	5.0
267.21143	5.7
269.22711	4.5
273.22192	4.2
279.20944	47.3
285.21991	6.6
295.12875	6.4
297.22052	100.0
315.23105	83.4
333.24170	96.2
477.28290	3.8
495.29587	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	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23088	1.3
51.02133	1.2
53.00275	1.7
53.03936	1.5
55.01855	2.9
55.05504	10.5
55.52940	1.2
57.03430	21.1
59.04971	3.1
61.02899	7.9
67.05486	19.2
69.03413	71.5
69.07043	8.1
70.06571	6.7
71.04981	2.6
73.02892	3.6
75.04458	2.8
79.05469	19.0
79.05867	2.0
81.03394	9.6
81.07040	31.1
83.04950	2.4
83.08593	5.9
84.48598	1.4
85.02885	89.4
85.06516	7.3
87.04443	41.5
91.05453	23.5
93.07008	30.2
95.04954	6.8
95.08584	29.0
97.02864	53.4
97.03475	2.2
97.06486	5.8
98.60051	1.7
99.04400	2.6
101.05995	2.7
105.06999	31.3
107.04925	2.9
107.08574	38.5
108.55319	1.5
109.02868	7.6
109.06514	5.5
109.10145	21.1
111.04422	3.1
111.08044	7.1
113.06058	1.6
113.07113	1.6
115.03913	37.3
117.06982	11.7
119.04877	1.8
119.08538	28.8
120.08096	1.7
121.06474	6.8
121.10123	23.1
123.08045	2.8
123.11644	2.7
125.09587	1.9
127.03890	8.7
128.06163	1.6
129.06982	8.7
131.08546	24.0
131.77721	1.6
133.04929	30.9
133.10086	28.9
135.08000	19.3
135.11647	16.0
137.09625	11.3
138.09964	2.0
141.06963	2.3
143.08507	15.5
144.09389	1.8
145.02843	2.5
145.04927	8.5
145.10091	30.7
145.49635	1.4
147.08057	1.9
147.11649	28.2
148.04709	1.9
149.13220	9.3
150.07527	2.0
153.09102	9.4
155.08519	7.3
157.10120	18.0
159.11681	36.9
161.09602	1.9
161.13242	20.1
165.09016	2.5
165.12735	1.7
166.64986	1.6
167.08461	2.5
169.10101	8.1
171.11679	23.0
172.72260	1.5
173.13225	20.7
175.11151	1.8
175.14850	5.4
177.05441	2.3
180.06534	26.3
181.10051	2.5
183.11671	10.6
185.13214	19.4
187.11191	2.8
187.14819	12.7
188.03738	3.3
189.12688	3.7
189.72115	1.5
195.11566	2.2
197.13223	15.4
199.14841	10.8
201.16357	6.0
203.14268	6.8
209.13226	9.9
211.14769	8.2
213.16347	6.0
215.14297	3.6
215.17847	2.6
221.08044	5.9
223.14824	11.1
225.16345	2.2
227.17923	7.2
237.16338	7.0
239.17854	8.4
241.15721	2.4
241.19458	3.1
251.17845	6.2
253.19391	1.9
255.17358	2.8
255.21033	9.9
257.18796	1.9
267.21085	16.9
269.22534	8.9
279.20990	45.6
285.22113	21.5
297.22034	76.8
297.25421	2.5
299.14682	2.6
315.23138	41.8
316.14630	2.6
333.24179	100.0
337.41211	1.8
339.17227	2.2
342.11578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13583	0.6
53.03928	4.4
54.81506	0.7
55.01857	1.8
55.05489	5.5
55.05719	0.6
57.03429	6.0
57.07075	0.9
59.04977	1.1
61.02916	10.4
67.05486	12.1
69.03416	19.2
69.07065	6.0
71.04958	3.5
71.99413	0.7
72.08107	0.8
73.02893	4.3
79.05474	14.7
79.98077	0.7
81.03407	8.3
81.06593	1.6
81.07040	31.3
83.04929	0.7
83.08584	3.6
85.02890	63.7
85.06517	4.5
87.04449	3.9
91.03937	1.7
91.05455	16.6
93.07023	27.5
95.04940	1.9
95.08585	20.5
97.02876	20.4
97.06483	2.0
99.04429	2.0
99.08070	1.8
101.86586	0.9
105.07018	24.3
107.08572	31.3
109.02878	7.9
109.06510	4.0
109.10143	10.6
111.08031	6.0
117.06993	8.3
119.08566	15.6
120.08079	1.0
121.06470	0.9
121.10108	14.5
123.08025	3.5
123.11672	1.3
125.09584	1.0
127.03908	9.9
129.06984	3.8
130.07741	1.1
131.08546	15.7
133.10112	15.4
135.08032	9.5
135.11690	7.0
137.09596	7.3
141.06992	1.6
142.07735	4.1
142.91983	0.9
143.08553	13.2
145.04930	4.9
145.10089	24.0
147.08000	1.0
147.11661	20.7
149.09541	3.4
149.13211	3.8
151.11185	1.1
153.34657	0.7
155.08531	8.8
156.09314	1.6
157.10089	16.1
159.11667	25.1
161.09583	1.1
161.13226	17.5
163.11121	1.1
163.14737	1.6
167.08514	1.4
169.10068	5.1
170.10892	1.4
171.11673	8.8
173.09535	1.0
173.13219	10.2
175.11104	1.9
175.14763	6.4
177.12718	1.9
180.62720	0.8
181.10115	3.9
182.10841	1.1
183.11685	6.9
185.13216	10.9
187.11143	3.6
187.14766	8.9
189.12721	6.4
191.14159	0.9
195.11679	6.9
197.13223	11.6
199.14790	9.0
201.12695	4.9
201.16368	1.9
203.14299	10.1
209.13269	6.8
211.14821	5.4
213.16354	5.2
215.14291	1.2
217.15843	1.6
221.13226	1.2
223.14819	11.9
225.16367	3.5
227.17909	1.0
237.02754	1.7
237.16301	5.3
239.17917	4.1
253.19521	6.8
255.21013	3.3
273.12173	1.0
279.03723	1.2
279.20999	38.7
297.22079	100.0
315.23123	40.4
333.24100	1.5
398.46979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02166	1.0
51.49554	1.1
53.03934	2.9
55.01862	2.0
55.05513	10.3
57.03426	11.9
59.66402	1.2
61.02909	7.9
64.22224	1.1
67.05487	23.5
69.03411	26.9
69.07043	7.1
71.04987	2.6
73.02890	2.1
75.26939	1.2
76.81915	1.2
79.05470	19.6
81.03398	8.7
81.07034	39.4
83.04965	6.1
83.08627	11.2
84.44047	1.2
85.02888	100.0
85.06519	2.2
87.04443	13.7
91.05454	29.9
93.07016	46.0
95.04934	5.8
95.08577	40.6
97.02860	15.5
97.06478	1.8
97.10138	2.1
99.04422	2.3
101.05992	5.3
105.07006	46.7
107.08571	47.1
107.76991	1.1
109.02882	7.8
109.06496	5.4
109.10123	22.2
109.23055	1.4
111.04446	5.5
111.08070	2.5
115.05403	1.7
117.06989	14.5
119.08545	40.8
120.74329	1.3
121.06464	1.2
121.10118	31.4
123.08071	2.2
123.11691	5.9
125.09617	1.6
126.11343	1.4
127.03897	12.3
128.06166	2.0
129.06952	11.3
131.08537	40.1
133.04927	1.7
133.10098	69.4
135.08020	9.2
135.11665	26.4
137.09587	5.1
139.15536	1.4
141.06992	2.9
142.07800	2.5
143.08533	20.7
144.09294	1.4
145.04944	7.1
145.10094	67.0
145.11218	2.9
147.11661	34.3
149.13246	13.2
151.11159	37.6
152.08159	1.3
153.09067	3.1
155.07437	1.4
155.08476	11.2
156.09273	1.8
157.10107	28.2
159.11670	45.2
161.09587	2.0
161.13213	21.7
163.06041	2.3
163.11145	37.0
163.14851	2.0
165.12735	1.6
167.08492	2.0
169.10092	17.2
171.11627	22.9
173.13202	20.6
175.11177	2.2
175.14787	9.6
177.12735	3.1
181.10146	6.5
182.10910	1.4
183.11641	17.8
185.13196	20.9
187.11195	4.9
187.14793	12.8
189.12723	4.9
193.12320	2.3
195.11678	8.4
197.13222	20.3
199.14809	11.9
201.09065	6.9
201.12761	2.5
201.16330	1.9
203.14273	4.5
209.13242	8.8
211.14815	8.6
213.16357	8.7
215.14287	7.1
215.17897	7.5
217.16010	1.6
223.14763	14.3
225.16341	5.0
227.14171	1.5
227.17854	11.2
229.19373	2.7
233.15208	1.7
237.08374	1.3
237.16275	12.4
239.17906	16.1
241.15720	2.5
241.19482	10.3
251.17926	6.8
253.19481	10.7
255.17361	2.7
255.21014	25.6
257.18909	2.8
267.21008	12.2
269.19922	1.5
269.22525	13.0
273.22119	5.3
279.20984	76.4
285.22089	7.5
297.22049	95.3
311.60687	1.4
315.23102	91.0
333.24152	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84763	1.4
53.03941	1.8
53.85705	1.3
55.05496	19.9
57.03428	2.1
57.07056	7.4
63.60210	1.8
64.18191	1.5
64.39890	1.4
66.74868	1.3
67.05494	20.3
69.03376	2.1
69.07056	25.2
71.04990	4.3
79.05466	25.5
81.07040	98.3
83.04969	18.7
83.08617	14.0
85.06504	3.0
85.72649	1.6
91.05471	17.3
93.07024	54.8
95.04948	8.5
95.08591	94.4
97.06517	2.8
97.10135	8.0
99.04411	7.1
105.07018	38.5
107.07861	3.4
107.08581	100.0
109.06500	3.9
109.10140	71.7
111.08049	4.0
113.09644	3.8
117.06995	3.5
119.08562	60.1
121.09238	3.1
121.10122	65.4
123.08024	11.6
123.11673	33.7
125.09624	12.3
131.08549	19.3
133.10120	46.3
135.08075	3.0
135.11670	79.9
137.13222	13.2
139.11151	2.7
142.86317	2.2
143.08543	4.0
145.10109	24.8
147.08041	1.8
147.11664	43.0
149.13225	26.2
151.11081	2.5
156.09341	1.9
157.10083	3.3
159.11667	35.4
161.13214	38.3
163.11098	3.4
163.14812	24.5
165.12689	2.3
169.10066	2.1
171.11659	3.2
173.13228	22.8
175.14780	27.9
177.16341	12.0
179.14305	10.9
185.13252	6.9
187.14786	24.3
189.12770	2.1
189.16351	53.7
191.14249	2.2
191.17900	33.3
193.15779	3.1
199.14700	2.8
201.16353	20.8
203.17924	21.2
205.16022	2.1
207.17450	32.7
213.16331	3.0
215.17947	21.0
217.19498	7.0
221.18938	2.9
227.18010	7.1
229.19530	7.5
233.18996	11.6
241.19502	4.0
243.21068	2.2
255.21106	2.1
269.22394	3.0
271.24097	3.1
297.34320	2.1
315.26749	2.4
325.28821	16.4
343.29904	40.3
361.30911	17.5
367.29861	2.2
383.32996	10.6
397.31116	3.5
405.34888	9.0
415.31799	9.5
423.36310	34.3
441.37854	17.6
459.34375	17.7
480.56882	1.9
494.29489	12.1
495.28671	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	495.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92183	0.9
56.96553	8.8
57.03423	4.3
61.02905	1.4
69.03413	17.2
71.04944	1.2
71.52434	0.9
72.62522	0.9
79.05460	1.0
81.03386	1.8
83.04948	1.2
84.96003	2.0
85.02885	26.7
85.06540	10.7
85.41367	0.9
87.04456	10.2
97.02861	20.1
98.97561	100.0
98.98437	19.0
102.13354	1.0
105.46024	1.0
107.04920	2.3
109.02837	1.1
110.97539	2.2
112.99112	1.7
115.03922	13.3
116.98593	63.0
116.99441	2.1
123.04366	1.2
124.99112	6.4
125.31293	0.9
127.03882	5.3
128.98602	6.2
131.00133	5.1
133.04929	11.6
134.99637	24.1
135.08017	2.3
137.05865	1.1
140.98576	1.4
143.00130	22.0
145.04929	5.7
146.99655	1.9
149.01224	2.0
153.00674	1.7
156.98053	2.4
158.99603	22.0
159.03267	1.6
161.01180	44.6
170.99600	13.7
173.01231	1.8
174.99147	5.0
177.00673	29.9
177.04361	1.2
179.02249	6.7
182.99622	14.5
189.00677	28.8
191.02281	1.9
195.01735	5.3
199.09624	3.9
201.00662	35.9
201.04327	1.3
207.01723	8.8
213.00768	1.5
219.01714	46.1
229.10632	1.4
231.01775	6.1
237.02669	12.0
249.02750	61.9
267.03802	25.6
285.06509	1.4
291.03790	56.7
303.07520	12.9
309.04739	8.2
321.08511	6.0
417.10480	8.1
418.66290	1.1
435.11661	75.3
495.16272	8.0
496.22879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.3
57.03458	1.9
57.07092	2.7
63.55746	2.1
64.33732	2.1
67.05494	20.0
69.07045	22.4
71.04978	9.7
79.05476	20.5
81.07037	100.0
83.04969	19.3
83.08614	10.6
85.06539	3.3
91.05460	16.6
93.07025	35.4
95.04942	9.8
95.08588	79.7
97.06551	2.9
97.10146	5.1
105.07013	30.1
107.08587	73.5
109.06513	4.8
109.10140	50.7
111.08059	3.7
113.09631	2.8
119.04939	5.2
119.08556	52.5
121.10119	49.7
123.08046	7.7
123.11697	24.4
125.09608	14.3
131.08533	14.7
133.10100	41.0
135.11671	59.8
137.13242	9.3
140.24773	2.3
143.08556	3.0
145.10097	27.0
147.04427	22.0
147.11644	33.6
149.13232	18.5
151.11154	4.4
159.11662	28.0
161.13223	33.6
163.11215	3.1
163.14792	20.8
171.07730	2.4
171.11642	8.8
173.13194	18.7
175.14842	15.8
177.16351	4.9
179.14282	9.9
185.13232	2.8
187.14825	13.8
189.16338	34.4
191.17928	24.6
199.14793	3.2
201.16382	12.1
203.17961	5.5
207.17416	21.3
210.42026	2.2
213.16469	3.5
215.17940	15.4
217.19540	4.8
219.17491	3.2
229.19385	2.9
233.18968	4.8
241.19336	2.7
288.92407	2.5
325.28802	10.5
343.29868	26.4
361.31021	9.4
383.32779	4.7
405.35291	3.0
423.36328	28.9
441.37482	20.6
494.32248	3.8
495.30206	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	494.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	10.5
57.03447	1.3
57.07073	13.8
58.93965	1.3
61.77867	1.4
63.45283	1.5
63.79203	1.7
67.05500	12.9
69.07060	20.5
71.08608	10.4
79.05465	6.8
81.07043	25.1
83.08595	13.5
85.06538	4.0
85.10156	2.0
91.05444	8.6
93.07031	30.0
95.08586	54.9
99.08076	3.3
104.75146	1.5
105.07024	25.8
107.08578	56.4
109.06448	1.7
109.10139	33.6
111.08074	2.5
119.08582	42.1
121.10123	75.2
123.11698	13.2
125.09644	1.7
131.08548	2.3
133.10109	33.4
135.11667	36.6
137.09592	3.4
137.13219	3.8
145.10138	6.8
147.04361	6.8
147.11699	26.7
149.13261	10.1
151.11122	2.3
152.00304	1.6
157.10101	2.5
159.11623	7.9
161.13232	22.2
163.11057	2.2
163.14804	6.9
173.13231	8.0
175.14809	15.8
177.12778	1.7
177.16348	40.6
187.14763	3.1
189.16359	26.9
191.14241	1.9
191.17953	19.2
201.16357	3.6
203.17926	50.5
205.15831	2.0
215.17889	10.0
217.19505	2.5
233.18925	25.1
243.20970	1.7
243.29030	1.9
251.20024	19.9
279.23138	3.1
313.27219	2.2
314.27649	9.2
395.64447	1.7
423.36194	2.5
441.37250	100.0
459.38672	17.4
494.33035	10.6
495.30527	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	494.384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17051	1.1
55.01853	1.3
55.05506	12.5
55.05725	1.2
57.07048	1.8
57.51466	1.2
59.04976	1.6
59.79380	1.4
61.53857	1.3
64.33399	1.5
66.21494	1.5
67.05489	12.1
69.03412	9.4
69.07056	14.4
72.20214	1.5
79.05453	12.8
81.07037	26.8
83.04951	6.2
83.08594	9.6
89.53578	1.5
91.05487	12.9
93.07020	41.6
95.04929	2.3
95.08001	2.4
95.08588	51.2
97.06522	5.8
97.10163	3.6
103.59221	2.1
105.07006	21.9
107.08588	47.6
109.10136	29.2
111.08054	13.8
119.04958	4.8
119.08561	34.6
121.06477	3.2
121.10123	78.7
123.08070	2.3
123.11688	10.8
125.09630	15.6
131.08510	11.0
132.37384	1.4
133.10091	30.2
135.08128	1.9
135.11667	29.0
137.05980	1.5
137.13208	2.2
139.07506	14.4
139.11166	7.8
143.08545	6.0
145.10112	25.1
147.04361	13.7
147.11659	27.1
149.09584	6.5
149.13217	17.8
157.08571	7.2
157.10107	10.4
158.59381	1.6
159.11678	30.5
161.13222	19.7
163.14752	7.2
167.10670	13.8
169.10085	3.0
171.11658	7.8
173.13219	14.8
175.14806	9.8
177.12743	6.9
177.16405	1.8
183.11612	5.1
185.13235	12.8
187.14767	16.3
189.16321	10.7
191.17917	7.8
195.13803	11.6
197.13248	6.8
199.14821	9.4
201.16359	26.9
203.17921	31.4
207.17500	2.7
211.14769	1.6
213.16444	11.2
215.17896	7.7
217.19553	1.7
223.13249	2.8
225.16309	2.6
227.17953	8.9
229.19525	3.0
233.15334	28.8
233.18938	2.7
237.16496	1.9
251.16367	9.9
253.19522	5.8
255.20958	2.0
257.22647	1.8
269.17493	2.3
269.22540	21.7
327.23413	2.1
336.20938	1.5
367.29761	2.7
385.30795	9.2
403.31808	2.4
405.31317	2.5
423.32358	29.4
441.33536	100.0
459.34836	27.9
477.35620	27.5
494.28928	2.4
495.29044	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	494.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44532	4.9
55.05494	11.7
59.04982	5.2
62.06074	22.2
67.05492	30.1
69.07044	33.5
69.65024	6.2
70.80013	4.9
79.05479	28.0
81.07047	48.5
83.08591	10.3
85.06549	6.6
86.09702	9.4
91.05482	13.5
93.07024	59.4
95.04945	8.3
95.08578	91.7
104.10739	6.9
105.07008	39.1
107.08588	100.0
109.10143	50.4
111.08076	7.4
113.06016	24.3
117.07013	8.4
119.08573	70.2
121.02852	35.1
121.10130	71.8
123.11700	22.7
129.07031	7.4
131.08533	13.5
133.10115	55.5
135.11684	58.0
145.10101	28.9
147.11659	46.9
149.02312	22.0
149.13258	14.4
153.12762	9.2
159.11678	27.7
161.13239	36.8
163.03882	6.2
163.11212	8.2
163.14822	32.5
165.12730	6.8
173.13181	13.0
175.14775	11.1
177.12798	5.6
179.14215	10.2
181.15831	11.3
184.07298	11.9
185.13243	6.8
187.14783	29.5
189.16345	34.9
191.17941	9.7
193.04916	8.8
199.14734	9.8
201.16402	14.1
203.18016	10.8
207.17419	34.5
213.16325	6.3
215.17995	8.1
217.15889	10.2
219.83369	5.8
227.17989	8.7
241.19550	8.1
255.21202	7.9
269.22543	12.3
377.31915	20.7
381.43875	6.5
395.32880	42.6
413.34094	83.8
431.34827	24.9
459.34421	12.3
494.33240	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	494.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
53.37198	0.5
55.01873	0.9
55.05496	0.8
57.03420	3.6
57.03658	0.5
59.04990	28.8
59.42198	0.5
61.02914	1.2
65.28236	0.5
69.03416	21.3
71.01331	0.6
71.04978	6.5
73.02898	2.5
79.05460	0.9
81.03402	15.1
83.04967	0.9
85.02889	30.4
86.09699	0.8
87.04453	26.8
87.04984	1.0
89.06011	20.9
91.03932	0.7
91.05463	3.2
92.08845	1.4
93.07008	2.3
95.04952	0.9
95.08628	0.9
97.02874	36.1
97.06502	0.6
99.04440	5.0
103.03903	0.9
103.05416	1.2
104.66746	0.6
105.03356	0.6
105.05505	8.7
105.06982	1.3
107.04962	3.4
108.04449	4.1
109.02861	10.3
111.04408	2.3
115.03944	2.0
117.06985	1.1
119.04902	0.9
119.08567	2.3
121.02879	0.9
121.06482	2.3
123.04409	1.2
124.05197	0.6
125.09581	0.6
127.03893	20.4
128.74976	0.6
129.06981	0.8
131.04903	2.1
133.06416	1.0
135.06483	1.1
137.05952	6.4
137.09590	0.8
145.02806	0.8
145.04938	7.7
145.06519	1.3
147.04402	2.6
147.07994	2.2
149.05983	3.1
151.03899	2.7
151.07530	1.1
152.07086	1.0
153.06932	0.7
161.06032	2.3
163.03879	1.4
163.06163	0.6
163.07523	1.0
165.09070	2.1
167.07007	100.0
168.53551	0.7
170.08115	1.1
171.50873	0.6
173.05928	2.8
175.07536	1.3
177.05444	1.2
177.09087	0.6
178.04877	2.1
181.04912	1.0
181.08556	6.6
189.07564	2.2
191.07024	1.0
193.08646	4.8
196.06012	0.6
199.07433	0.6
200.12857	0.8
205.08604	1.4
207.10052	1.0
211.09605	12.2
221.08002	0.7
223.09721	0.8
229.10674	9.2
231.08632	3.6
235.09726	0.8
239.09102	2.4
249.09650	3.7
253.10556	1.0
261.09698	0.7
277.10675	0.9
289.10596	0.9
295.11917	1.2
319.11905	4.0
326.61554	0.6
337.12662	4.2
342.59683	0.6
441.17410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
53.14318	0.9
55.01861	1.6
55.05505	0.9
57.03426	7.9
58.98906	0.7
59.04993	11.3
61.02913	1.8
63.87142	0.8
67.05479	1.1
69.03409	16.5
71.04974	10.1
76.22165	0.8
79.05476	3.5
81.03399	11.6
82.88827	0.8
83.04967	4.7
85.02891	24.0
86.09709	1.1
87.04447	11.2
89.06007	32.2
89.24102	0.8
91.05453	6.6
93.07009	5.8
95.04936	1.7
97.02879	33.0
99.04464	3.5
101.06017	1.7
103.05429	10.3
105.05476	3.5
105.07005	8.9
107.04942	67.6
107.08609	1.1
109.02880	9.3
109.06535	4.5
115.03925	2.1
119.04949	4.4
119.08581	3.9
120.08078	1.2
121.06477	18.6
122.03663	1.1
123.04425	3.4
127.03890	13.3
131.04915	8.5
133.04951	2.1
133.06490	5.0
135.06479	5.5
135.08043	13.7
136.07622	1.1
137.05956	100.0
145.04892	8.7
145.06487	1.3
147.04398	9.3
147.08006	3.8
148.05185	7.6
149.05957	18.6
150.02464	0.9
151.03841	2.1
151.07533	5.4
153.05464	2.3
154.57216	1.1
161.05914	1.5
163.03850	1.5
163.07503	23.4
165.05452	1.0
165.09076	13.8
166.08621	1.5
167.07011	4.2
177.05461	6.9
179.06992	7.2
179.53256	1.0
181.05029	2.0
181.08548	70.7
183.10069	7.2
193.08484	1.2
197.08046	2.2
199.25024	1.0
205.04730	4.7
205.08575	1.7
209.04411	1.5
209.08041	1.6
211.09618	51.9
216.02921	1.1
223.09718	1.1
261.09567	1.4
493.22403	3.4
494.17007	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	494.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26047	0.2
53.03930	0.8
54.82045	0.2
55.01840	0.2
55.05488	0.2
55.96133	0.2
56.96561	0.3
57.03419	0.8
59.04973	1.2
59.05241	0.2
61.02915	0.3
61.79071	0.2
67.05476	0.4
69.02184	0.2
69.03067	0.2
69.03412	4.0
71.04967	0.9
78.97503	0.2
79.05467	0.3
79.15040	0.2
81.03397	3.5
81.07023	1.0
83.04945	0.5
84.08101	0.2
85.02882	4.7
86.09682	0.3
86.30299	0.2
87.04441	1.6
89.06007	2.4
91.04885	0.3
91.05451	6.5
95.04914	0.9
97.02261	0.3
97.02865	7.1
99.04406	0.9
101.05990	0.2
103.05463	1.5
105.05494	0.3
105.06981	0.3
107.04913	1.0
108.04435	0.2
109.02866	2.9
109.06490	0.3
111.04416	0.2
115.03896	0.4
118.04121	1.2
119.04917	10.0
121.02856	0.3
123.04388	1.1
123.08010	0.2
127.03882	3.2
135.04373	1.2
136.07475	0.5
137.05951	11.8
138.06290	0.5
145.02824	1.0
145.04881	0.5
147.04390	7.8
147.05461	0.3
147.07922	0.2
151.07513	0.4
153.05434	0.7
163.03873	7.3
165.05435	1.1
165.09073	1.1
167.07011	1.6
179.06966	0.5
181.04855	0.3
181.08534	1.1
182.46161	0.2
193.04909	100.0
194.05199	0.4
197.08069	0.3
209.04425	0.4
211.05992	2.5
211.09595	4.3
229.07034	3.1
237.00647	0.3
241.80269	0.2
255.01564	0.2
273.02768	0.3
319.08032	1.7
337.09131	4.1
351.24362	0.3
355.10150	9.1
453.06561	0.4
459.14786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16304	0.4
50.40368	0.5
53.03925	3.3
53.50984	0.4
55.01859	2.8
55.05522	0.5
55.33287	0.6
57.03431	6.8
59.04973	1.3
60.92163	0.5
61.02916	10.7
64.33881	0.5
65.03912	1.2
67.05493	0.5
69.03068	1.0
69.03415	20.9
71.04961	3.0
73.02906	4.7
79.05473	4.4
80.51336	0.6
81.03389	10.9
81.05775	0.8
82.06574	0.5
83.01311	0.6
85.02888	100.0
85.90965	0.5
87.04438	3.0
88.30438	0.5
89.03902	1.0
89.05988	0.5
90.61936	0.5
91.03912	4.7
91.05441	1.0
92.04994	3.9
93.07008	0.7
95.04914	1.3
96.08104	4.4
97.02865	29.8
98.97588	0.7
99.04432	5.7
99.91068	0.5
101.02374	0.9
102.09943	0.5
103.03911	0.7
105.07008	0.9
106.06535	25.5
107.04946	1.3
108.08094	9.5
109.02863	8.5
109.05206	0.7
117.03353	4.6
119.04950	0.6
119.08568	1.9
121.01949	0.9
121.02837	27.4
121.10070	0.8
123.06789	3.6
123.08009	0.7
124.07561	16.5
127.03887	23.3
134.05986	16.7
135.04379	10.5
136.07567	1.2
137.05962	0.6
141.93785	0.5
145.02863	8.7
145.04935	28.3
147.04413	1.0
147.08011	2.2
152.07042	39.8
153.05441	24.0
161.01202	0.6
163.03871	47.4
163.05898	8.3
165.09053	3.6
167.06972	2.8
170.08081	17.2
170.09431	1.0
173.05917	0.5
183.10176	1.0
186.21184	0.5
205.05008	0.5
205.08499	0.9
219.01585	0.7
265.10632	1.1
268.09537	2.8
290.79617	0.5
296.08954	1.0
307.07968	0.9
332.13232	2.5
476.15314	5.7
494.16528	25.1
494.23450	1.0
502.85587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71684	0.3
53.77152	0.3
54.50428	0.3
54.82589	0.3
55.05540	0.4
55.72735	0.3
58.07927	0.3
67.69705	0.4
69.07050	0.6
76.30950	0.4
81.07033	1.7
84.78656	0.5
92.08652	0.5
93.07005	0.4
95.01914	0.4
95.08602	1.6
107.08612	0.8
109.10168	0.7
119.08540	0.6
121.10127	0.8
135.11575	0.5
145.02841	0.8
177.05405	1.6
203.17967	0.5
493.32819	100.0
494.33478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3289
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
53.87922	0.3
55.05503	0.5
57.07061	0.5
57.56556	0.3
67.05492	0.6
69.01168	0.3
69.07048	0.7
74.97127	0.4
74.99321	0.4
79.05482	0.4
81.07046	2.2
81.20905	0.3
82.66983	0.3
91.05460	0.6
93.07053	2.5
95.08588	2.1
97.10147	0.5
105.07024	1.8
106.07332	0.4
107.08559	3.3
108.08903	0.4
109.10145	0.8
117.03341	2.6
119.08562	2.3
120.08916	0.6
121.06508	0.5
121.10143	1.7
133.10120	1.4
135.11711	1.4
145.02831	8.2
145.10178	0.5
147.11681	0.8
149.05954	1.5
149.13261	0.5
153.75308	0.4
159.11671	0.7
163.14833	1.7
163.77299	0.4
173.13235	0.6
175.14790	4.5
176.15172	1.3
177.05426	9.2
185.13141	0.4
219.06467	0.5
228.18460	0.4
253.19537	0.4
263.46448	0.4
376.30911	0.6
393.31567	0.8
394.31924	2.4
411.32504	1.7
412.32858	2.7
430.34097	0.4
493.32852	100.0
494.33066	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	493.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01484	3.4
54.92058	2.9
61.04441	2.6
67.05464	3.9
67.63406	2.5
70.08076	2.8
78.60264	3.2
79.05457	4.4
81.07049	3.1
83.95615	2.7
86.99061	3.2
91.05470	5.4
91.54078	2.9
92.09270	6.8
93.06923	3.1
95.08591	6.6
117.07069	3.3
119.04931	7.4
147.04407	36.1
148.04761	15.7
198.45088	3.1
464.24075	3.6
467.43747	3.9
492.37363	3.7
493.32703	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	493.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
57.07062	0.4
67.05505	0.6
69.07050	0.6
79.05450	0.5
81.07024	2.3
87.53911	0.3
89.63532	0.3
92.08794	0.7
93.07018	2.0
95.08603	1.6
102.60302	0.4
105.06985	0.7
106.02194	0.3
107.08553	0.7
109.10123	1.3
117.03390	1.4
119.08562	1.3
121.10139	1.5
121.12817	0.4
122.10482	0.4
125.96855	0.4
133.10130	0.4
135.11690	0.5
145.02844	3.4
147.11575	0.5
153.12691	0.4
159.11693	0.6
161.13242	0.5
177.05421	5.0
221.80211	0.5
239.46533	0.4
360.32480	0.4
493.32465	100.0
494.32520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00692	0.7
55.01865	1.1
55.05510	11.5
57.03419	5.1
59.04983	7.7
59.24532	0.9
61.02942	0.8
65.01161	0.9
67.05487	15.3
69.03401	4.8
69.07048	5.5
71.04968	4.1
75.44396	0.9
76.56107	1.0
77.03910	1.0
78.66438	1.0
79.05470	14.3
81.07038	20.5
83.04957	7.9
83.08600	2.1
85.02417	1.8
85.02889	33.0
85.06529	19.3
87.04452	78.4
87.97608	0.9
91.05458	25.2
92.63885	0.9
93.07025	23.3
95.04936	1.3
95.08582	19.6
97.06517	4.2
99.04439	4.8
101.06007	2.0
105.07011	29.5
107.08571	24.1
109.06546	1.5
109.10139	22.1
111.04430	4.6
115.07523	1.6
117.03345	1.2
117.07002	22.5
119.08562	22.4
121.10117	26.4
123.11679	5.5
128.06129	1.5
129.06956	5.6
130.07794	1.2
131.08539	24.3
133.10107	100.0
135.11668	19.8
137.09587	1.3
141.06905	3.9
142.07753	1.1
143.07042	4.7
143.08537	11.1
145.02838	4.1
145.10101	80.5
147.11662	18.4
149.09641	1.8
149.13242	8.3
151.11160	61.2
155.08499	7.2
156.09213	1.1
157.10088	12.1
159.11664	37.8
161.13232	12.5
163.11150	65.0
169.10143	7.9
171.11664	11.5
173.13216	11.9
175.14746	1.3
177.05415	6.8
177.12706	4.5
179.14259	1.5
181.10088	2.5
183.11668	10.7
185.13226	14.5
187.11163	1.4
187.14844	4.4
189.12659	1.5
195.11665	4.7
197.13187	8.5
199.14813	9.4
201.12762	1.5
203.14258	1.7
209.13222	6.5
211.14769	7.3
213.16391	5.1
215.17880	2.3
223.14828	9.4
225.16429	1.8
227.17892	1.5
229.19547	1.4
237.16383	5.5
239.17897	5.5
241.15637	1.4
241.19487	5.4
251.17719	2.2
253.19437	2.0
255.21004	10.6
267.20923	7.8
269.19131	1.2
269.22562	6.6
273.22122	2.2
279.21024	34.3
285.22141	3.9
297.22061	50.4
313.21478	5.8
315.23114	57.5
326.55249	1.0
333.24203	58.7
462.76303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53731	0.6
53.03936	1.1
55.01857	1.3
55.05492	3.3
57.03422	8.1
59.70214	0.6
61.02914	5.6
61.64049	0.8
67.05491	7.3
69.03415	14.8
69.07054	2.9
71.04970	1.3
73.02888	2.9
76.56422	0.8
79.05462	5.0
81.03388	4.7
81.06590	0.9
81.07030	14.4
82.19749	0.6
83.01299	0.8
83.04955	4.2
85.02886	34.7
85.06494	0.6
87.04432	2.9
89.49426	0.6
91.03926	1.7
91.05459	8.2
92.09118	1.1
93.07025	11.9
95.04955	1.6
95.08582	14.3
96.43124	0.7
97.02867	12.1
97.06509	13.5
99.04404	3.7
99.08039	1.6
105.07008	18.7
107.08559	11.0
109.02869	5.9
109.03502	0.8
109.06496	18.7
109.10151	5.8
111.08071	1.4
113.11304	0.7
117.07029	6.2
119.08551	27.0
121.06453	3.0
121.10139	6.0
123.08013	6.9
123.11675	3.4
127.03876	6.5
128.06216	0.9
129.06956	3.7
130.07748	1.0
131.08530	14.4
133.06462	1.6
133.10104	26.4
135.08008	3.8
135.11667	7.1
137.09653	2.3
141.06961	1.3
142.07730	1.7
143.08511	9.1
144.09366	0.9
145.04942	5.2
145.10091	13.7
147.08020	3.6
147.11618	6.9
149.09598	5.3
149.13234	3.0
153.05373	0.6
155.08521	4.2
156.09320	4.4
157.10094	9.5
158.69861	0.6
159.08037	1.6
159.11665	16.6
161.09558	8.2
161.13235	5.6
163.11166	3.8
169.10094	7.5
171.11644	36.2
173.09550	6.5
173.13208	8.8
175.11185	5.4
175.14748	5.3
177.12708	4.3
181.10098	3.0
183.11681	8.0
185.13242	6.8
187.11096	2.7
187.14822	1.0
189.12735	6.2
193.10100	1.1
195.11716	3.9
197.13272	6.6
199.11136	3.3
199.14835	4.0
201.12715	2.8
203.14275	1.2
207.11716	1.7
209.13248	1.7
211.14799	4.3
213.12805	2.8
213.16367	4.3
215.14311	4.3
217.15825	1.4
221.13260	3.9
224.90981	0.8
225.12669	1.2
225.16176	0.9
227.14200	2.5
235.14836	3.2
237.16310	5.7
239.14204	3.3
239.17937	1.5
248.15544	0.8
249.16397	0.9
251.17754	1.6
253.15703	1.1
253.16998	0.9
253.19444	10.7
255.17422	6.2
257.16119	0.6
257.18964	4.0
267.21045	1.1
269.19086	2.8
270.19882	0.7
270.69595	0.7
271.20557	10.0
277.19458	9.5
280.18182	1.4
295.20474	37.9
313.21542	100.0
314.21899	1.0
323.74469	0.7
331.22601	47.1
345.36758	0.7
493.27844	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	493.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97820	0.5
53.00294	0.5
53.03941	1.3
53.34064	0.4
55.01851	1.4
55.05497	1.4
57.03423	5.3
61.02911	6.4
67.05492	6.7
69.03409	19.4
69.03759	1.1
69.07038	2.5
71.04974	2.8
73.02898	2.6
79.05466	5.6
81.03394	7.4
81.07037	13.5
83.04966	8.8
83.08592	1.0
85.02882	48.5
85.06521	1.4
87.04452	2.8
90.30729	0.7
91.03939	1.0
91.05438	6.8
93.07012	12.5
95.04964	3.2
95.08573	10.9
97.02866	13.3
97.06498	33.9
99.04422	3.2
105.07006	14.0
107.04956	0.7
107.08568	10.1
109.02843	6.8
109.06493	39.6
109.10149	3.5
111.08044	1.1
117.07009	5.2
119.08548	13.1
121.06456	6.2
121.10119	4.2
123.08034	29.3
123.08907	1.2
123.11632	0.9
127.03889	7.7
129.07005	3.9
131.08514	9.8
133.10052	7.5
135.08037	1.3
135.11673	4.1
137.09589	2.8
141.06985	1.5
142.07755	1.2
143.08525	11.1
145.04958	4.1
145.10094	13.9
147.08003	2.3
147.11687	6.6
149.09618	3.7
149.13202	2.3
155.08516	4.2
156.09381	0.7
157.10117	9.8
159.08038	0.9
159.11641	10.7
160.69691	0.7
161.09566	1.3
161.13202	2.6
163.11162	2.2
165.07100	0.7
167.08566	2.9
169.10092	6.2
171.11650	12.6
173.09624	3.5
173.13199	7.7
175.11139	2.8
177.05478	0.8
177.12737	3.1
181.10066	3.3
183.11656	4.8
185.13191	5.2
187.11188	2.6
187.14807	3.4
189.12753	2.5
189.16393	1.0
193.10182	0.7
195.11670	5.7
197.13298	5.3
199.11177	2.9
199.14793	3.3
201.12721	3.0
203.14247	0.9
207.11681	2.5
209.13254	5.0
211.14742	4.7
213.12764	1.3
213.16325	4.1
215.14340	2.3
215.17987	3.0
217.15797	1.1
221.13208	3.7
223.14764	1.4
225.12862	0.8
225.16325	2.9
227.14340	2.2
229.15952	0.7
231.17336	1.2
235.14742	4.0
237.16328	9.1
239.14252	1.1
239.17686	0.8
241.15685	1.3
249.16391	3.7
251.17886	6.2
252.18668	1.4
253.15948	2.1
253.19435	7.4
255.17404	3.0
265.19379	0.7
267.17429	2.6
267.21045	2.5
269.19009	7.8
271.20526	6.1
277.19449	5.4
283.20523	2.6
295.20486	25.0
313.21548	24.6
331.22592	100.0
332.22839	0.9
390.67538	0.6
472.28665	0.7
493.27496	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
53.34062	1.6
55.01851	8.6
55.05493	10.0
57.03421	4.7
61.02908	8.1
67.05499	18.4
69.03415	27.5
69.07038	4.7
71.04972	20.2
73.02901	2.0
79.05472	27.1
81.03398	16.0
81.07038	53.4
83.08605	3.4
85.02422	3.4
85.02895	72.7
85.06528	33.1
87.04467	3.7
91.05462	29.9
92.08856	2.4
93.07014	43.4
95.04968	2.4
95.08594	27.2
97.02879	26.1
97.06512	4.2
99.04409	3.2
101.23530	2.0
105.07010	63.6
107.08570	25.0
109.02858	7.4
109.06491	7.4
109.10146	12.0
111.08055	61.5
113.05984	4.0
114.70771	1.8
117.06998	15.5
119.08556	33.5
120.08009	1.7
121.10101	13.9
123.08027	7.3
127.03860	9.1
128.06221	3.9
129.07005	14.1
131.08548	29.2
133.10107	22.1
135.11653	3.6
140.72130	2.1
141.06979	8.1
142.07733	16.1
143.08575	34.6
144.09294	4.3
145.04988	7.9
145.10112	43.2
147.08067	2.5
147.11749	15.0
149.09641	4.8
153.09061	11.6
155.08530	15.5
156.09320	4.2
157.10114	44.2
159.11649	46.6
161.13219	29.2
163.11098	2.7
163.14763	2.2
167.10542	2.3
168.09241	3.1
169.10109	15.9
170.10785	2.5
171.11649	23.6
173.13304	7.8
175.11104	12.8
181.10054	10.4
181.12227	2.1
182.10893	3.9
183.11656	20.2
185.13202	19.2
187.11203	4.7
187.14784	2.1
189.12674	4.3
193.10182	2.8
194.10854	2.6
195.11662	17.2
195.13222	2.4
196.12427	4.6
197.13205	22.8
199.14793	10.7
199.16876	1.9
201.16389	21.9
203.14204	2.1
207.11688	4.4
208.12534	2.0
209.13237	11.4
210.14052	3.8
211.14827	15.7
213.16351	2.8
215.14211	2.6
221.13208	13.0
222.13995	2.4
223.14742	4.4
225.16312	17.1
235.14708	8.3
237.16405	16.6
249.16299	2.6
251.17827	14.5
252.18619	9.5
253.15736	3.3
253.19424	24.6
255.17513	2.4
262.17480	2.5
267.21124	2.3
271.20471	11.6
277.19464	14.5
280.18082	2.2
290.22415	2.2
295.20532	100.0
313.17932	3.1
313.21552	77.9
313.25079	3.7
331.22559	22.1
475.26721	4.0
493.27817	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.5
57.07088	4.2
61.60820	3.1
67.05496	17.0
69.07059	28.5
71.04973	6.3
79.05474	16.1
81.07030	46.2
83.08592	7.0
85.06572	3.2
91.01315	3.1
91.04063	3.5
91.05473	17.4
92.08999	29.9
93.07018	43.1
95.08591	64.3
99.08080	6.1
103.38524	3.8
105.06995	31.9
107.08588	60.7
109.06474	4.0
109.10141	43.9
112.94109	5.1
117.06976	4.4
119.08575	56.0
121.10131	68.2
123.08112	5.1
123.11700	19.0
131.08565	16.9
133.10103	41.4
135.11687	56.1
137.09590	4.2
142.04501	3.9
143.08629	4.1
145.02808	14.0
145.10062	31.4
147.11684	38.6
149.13275	21.0
153.12630	4.6
157.10164	5.7
159.11674	25.5
161.13210	25.1
163.14772	7.0
165.03719	4.1
171.11700	4.1
173.13246	6.6
175.14758	7.8
177.05513	6.3
187.14755	9.0
189.16356	19.9
191.17912	34.5
201.16356	26.7
203.17902	15.4
207.17438	6.1
231.17445	6.8
231.21066	5.6
249.18320	5.7
410.74503	4.3
421.34854	8.8
439.36163	44.5
457.36829	100.0
492.32248	16.2
493.32306	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	493.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
54.57611	2.0
55.01849	3.0
55.05487	13.0
57.03410	8.9
57.07039	2.5
60.31456	1.7
61.02905	5.3
65.90714	1.9
67.05488	27.6
69.03419	31.9
69.07056	19.6
71.04961	4.7
73.02908	2.2
73.61076	2.2
76.11331	2.0
79.05474	19.0
81.03401	5.2
81.07035	62.8
83.04969	16.2
83.08577	5.0
85.02888	50.8
85.06534	24.8
87.04437	9.6
91.05446	27.0
93.07023	55.0
93.07574	4.0
93.67745	2.0
95.04935	8.0
95.08572	50.7
97.02879	15.3
97.06503	43.2
97.10094	3.4
105.07020	51.4
107.04890	3.1
107.08587	52.5
109.02863	5.1
109.06506	32.9
109.10140	26.1
111.08054	8.0
113.05972	2.4
115.03915	2.9
117.06985	19.7
119.08569	40.6
121.06482	10.2
121.10123	34.7
123.08054	33.7
123.11665	9.5
125.09695	3.2
127.03906	3.0
128.06177	3.1
129.06963	11.7
131.08553	42.3
133.06549	2.7
133.10121	32.8
135.08047	11.1
135.11691	17.1
137.09608	3.4
139.11179	3.0
141.06966	2.8
142.07788	5.0
143.08534	36.9
145.05000	3.8
145.06226	2.9
145.10101	62.7
147.08008	4.4
147.11659	31.2
149.09630	8.9
149.13206	12.5
153.09195	2.5
155.08508	17.0
156.09239	4.2
157.10138	26.9
159.08014	2.4
159.11673	39.5
161.09583	4.5
161.13260	18.0
163.11134	3.6
165.12823	2.9
169.10106	23.7
170.44086	2.2
171.11644	43.9
173.09569	11.9
173.13206	36.1
175.11179	9.2
175.14760	3.5
177.12758	3.9
179.08594	2.8
181.10095	12.9
183.11668	20.7
183.79027	2.8
185.13237	26.8
187.11082	4.5
187.14725	3.5
189.12770	9.3
191.14262	4.2
193.10143	4.3
195.11691	15.5
195.13341	2.0
196.12500	2.3
197.13202	18.0
199.14758	13.4
201.12724	10.8
201.16354	11.0
203.14262	3.4
207.11691	5.1
209.13164	18.9
211.14795	16.3
213.16325	3.8
215.14258	4.4
217.15837	2.9
221.13197	9.1
223.14655	4.3
225.12846	3.5
225.16415	16.2
227.14319	5.1
227.17860	3.3
229.15794	5.4
235.14725	9.2
237.16316	31.0
239.14397	2.9
239.17879	3.7
243.17445	10.2
251.17896	12.5
253.09633	8.9
253.15756	4.9
253.19447	33.0
255.17383	3.2
267.17188	3.7
267.21112	4.1
269.18973	38.3
271.20535	25.1
277.19400	21.4
279.21048	4.9
283.20416	3.9
289.25146	3.1
293.34296	2.2
295.10818	4.4
295.20477	100.0
297.22015	27.9
306.49527	2.3
307.26160	5.2
313.21567	83.0
315.23102	30.9
331.22586	85.0
350.38272	2.3
493.26752	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	492.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	24.0
57.03405	3.8
57.07064	8.9
57.95179	3.5
59.04976	4.3
60.82146	3.8
67.05494	32.8
69.03414	5.1
69.07056	34.4
71.04967	8.6
79.05466	33.4
81.07047	82.5
83.04923	4.5
83.08591	18.6
91.05466	35.5
91.42774	5.4
93.07030	98.8
95.04948	26.2
95.08591	95.7
97.02860	4.9
97.06501	25.8
97.10112	5.0
99.04443	6.9
101.54893	3.6
105.07015	58.4
107.04958	5.3
107.08578	100.0
109.06498	25.4
109.10144	61.3
111.08070	4.6
116.80287	4.2
117.06995	7.6
119.08566	96.8
121.10124	85.0
123.08060	9.5
123.11677	25.3
125.09579	6.6
129.06961	7.4
131.08580	32.2
133.10112	70.7
135.04414	52.9
135.11693	64.3
137.09576	9.5
143.08540	9.1
143.10602	5.6
145.10153	39.4
147.11678	41.4
149.09576	5.8
149.13243	24.8
153.02122	4.3
156.09328	6.7
157.10103	14.8
159.11655	37.1
161.09639	6.5
161.13263	33.6
163.14812	15.0
169.10107	18.3
171.11667	16.6
173.13263	28.8
175.11250	6.1
175.14792	22.8
179.14197	5.6
183.11664	9.3
185.13191	17.5
187.14806	22.2
189.12711	7.9
189.16338	25.8
191.10594	5.8
191.14275	4.8
191.17892	9.6
199.14780	7.6
201.16402	19.7
203.17929	7.1
207.17354	16.9
215.17975	17.8
215.73863	4.6
217.12155	6.7
217.19510	16.6
227.17792	5.4
229.19479	6.3
237.16202	4.8
239.17940	6.4
260.50635	4.5
279.21048	4.7
378.32184	4.3
393.31250	19.0
397.30853	17.2
411.32498	30.5
415.31873	18.4
421.30750	18.2
439.31689	81.6
457.32935	44.9
492.31555	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	492.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.5
55.05503	21.6
57.07066	3.9
65.05882	2.3
67.05482	25.6
67.93418	2.6
68.68774	2.7
69.03411	13.2
69.07056	29.1
71.04955	4.2
79.05486	19.4
81.07033	52.0
83.04964	10.6
83.08604	19.2
85.06493	2.4
91.05479	20.5
91.34715	2.7
93.07022	58.1
95.04955	11.0
95.08580	81.3
97.06517	13.8
99.08086	3.9
105.07016	44.9
107.07869	3.7
107.08579	100.0
109.06485	22.0
109.10139	53.5
111.08052	15.6
117.06933	2.8
119.08555	84.0
121.06468	3.5
121.10111	63.2
123.08062	3.8
123.11642	16.9
125.09604	17.2
127.07523	2.7
131.08533	14.3
133.06546	3.1
133.10103	60.8
135.08009	4.2
135.11647	56.7
137.09599	15.0
137.13141	3.6
143.08571	13.0
145.10101	31.7
147.11664	47.2
148.12143	3.2
148.17766	3.0
149.09592	6.6
149.13206	21.2
151.11130	6.4
155.10657	2.8
157.10071	12.7
159.11679	28.2
161.09567	4.8
161.13222	37.5
162.13629	3.0
163.11116	2.8
163.14771	17.6
165.12720	17.7
169.10130	3.0
171.11632	15.2
173.13208	16.8
175.11163	3.4
175.14774	13.0
177.12737	3.7
179.14265	24.0
183.11621	3.6
185.13231	15.2
186.14027	3.2
187.11221	4.3
187.14772	19.4
189.12700	3.9
189.16309	45.7
191.17892	14.7
193.12180	6.4
199.14792	5.1
201.16402	20.8
203.17938	25.3
207.13765	13.8
207.17430	44.7
211.14815	2.9
213.16354	16.8
215.17873	6.0
225.16513	3.0
227.17958	6.6
229.19583	3.4
235.16791	5.0
237.16351	3.2
249.18596	3.8
256.35303	2.7
269.22647	11.0
293.53088	3.0
297.42990	2.6
399.74976	3.1
403.33466	4.6
411.32263	3.9
421.34457	18.0
429.33502	12.2
439.31369	32.3
457.31946	69.0
457.37659	20.2
463.04056	2.9
475.33939	10.9
493.31726	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	492.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
57.03428	3.7
57.07067	6.1
59.04993	14.5
65.03916	1.3
67.05491	30.4
69.03415	12.9
69.03769	1.0
69.07048	3.0
71.04976	20.4
73.88166	0.5
79.05462	2.3
81.07027	6.4
83.04973	1.3
83.08601	0.9
84.59654	0.5
85.06528	26.4
87.04455	6.2
91.05454	3.3
92.08820	2.2
92.09323	0.7
92.35101	0.5
93.07034	7.3
95.04951	32.6
95.08588	8.2
97.06502	0.9
97.10152	0.6
101.05995	1.1
105.07002	6.1
107.08585	9.3
109.10090	4.0
112.39027	0.6
113.05987	100.0
117.06957	0.8
119.08560	7.3
121.06499	2.1
121.10115	8.7
123.08060	0.6
123.11687	1.0
127.07561	0.8
131.08559	3.3
133.10100	5.4
135.08035	1.2
135.11688	5.0
137.09592	2.6
139.07513	0.7
143.08553	1.3
145.08585	28.9
145.10075	4.7
147.04404	1.2
147.08006	0.8
147.11661	5.8
149.13251	1.2
157.10147	1.1
159.11621	4.8
161.09557	0.7
161.13235	2.9
163.11095	0.8
163.14777	0.6
165.09106	0.7
165.12665	0.7
169.10043	0.9
171.11626	2.7
173.09583	0.6
173.13229	3.3
175.11218	1.3
175.14778	10.5
183.11626	0.6
185.13223	1.0
187.14748	1.1
189.12697	1.3
189.16356	2.4
191.14249	0.8
196.93927	0.5
197.13153	0.7
199.14786	0.7
201.16275	0.7
203.14265	0.7
203.17769	0.5
207.17365	1.0
213.16354	0.9
223.38148	0.5
225.16467	0.9
227.17857	0.7
231.08893	0.6
231.13931	0.7
241.15860	0.6
251.18010	0.8
253.19627	0.8
265.46146	0.7
295.20425	4.2
313.21567	10.3
329.20801	0.7
331.22647	6.4
421.31042	2.0
429.33539	2.4
439.31790	3.2
457.33002	3.6
475.34180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.0
67.05489	22.7
69.07047	16.8
77.39896	4.1
79.05470	18.5
80.25471	4.2
81.07042	39.4
83.08612	6.6
86.58659	3.8
91.05447	9.6
91.44306	3.8
93.07022	26.9
95.08581	33.2
102.06509	3.9
105.07013	37.3
107.08551	30.9
109.10139	24.2
117.07015	8.0
119.08544	27.4
121.10124	20.8
123.11717	4.9
127.49113	4.1
129.06943	6.3
131.08554	23.5
133.10098	20.2
135.11667	6.8
143.08556	9.6
145.10118	17.8
147.11705	18.7
149.13271	5.8
155.08566	7.6
157.10040	7.5
159.11588	29.3
161.13194	24.8
169.10098	7.7
171.11710	7.0
173.13249	6.8
175.07524	15.9
183.11624	7.6
185.13243	7.1
188.97301	3.9
189.09167	5.2
197.13222	5.1
201.12540	4.5
209.13240	4.3
213.16306	4.5
215.17934	5.0
227.10597	17.3
229.12210	17.0
243.13765	4.9
291.21204	6.3
309.21988	5.6
319.20554	9.6
337.21594	76.7
355.22531	72.6
373.23636	100.0
424.81686	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	492.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16213	0.5
51.87694	0.4
53.00284	0.6
53.03917	0.7
53.30186	0.4
55.05506	2.6
57.07066	8.6
58.99575	0.6
65.03937	0.5
66.93310	0.5
67.05484	4.6
69.07056	14.2
71.04935	0.6
71.08615	6.6
74.31768	0.5
79.05476	13.2
81.07040	2.9
83.08585	0.7
87.02684	4.4
87.35942	0.6
89.03894	2.3
90.04223	0.6
91.05460	76.1
92.08733	3.2
93.07010	2.5
95.04929	2.8
95.08584	3.5
97.01102	0.7
103.05454	9.9
105.07012	80.4
106.06557	1.4
106.07799	7.4
107.08585	6.4
109.06560	0.6
109.10173	1.4
111.11720	0.6
117.03364	11.8
118.03681	4.6
119.08595	1.4
121.06490	1.1
121.10168	1.2
132.05688	0.6
133.06468	64.3
133.10037	0.9
134.07246	43.9
135.08032	100.0
137.04161	4.2
143.08914	4.3
143.10629	1.1
145.01689	0.9
145.02829	25.9
145.10051	0.8
146.03154	10.6
147.11667	0.7
149.05948	5.4
150.06322	0.8
151.07526	26.4
159.08069	1.4
159.11719	0.9
161.09534	1.0
165.03668	62.8
167.05232	11.1
173.09563	1.4
177.05441	28.4
178.05734	10.3
179.05223	14.0
181.10104	5.9
185.13174	0.6
198.12764	36.1
271.83255	0.6
277.16162	20.1
285.17899	0.7
295.17215	85.2
296.17484	0.8
300.28494	0.7
342.12595	0.6
491.33368	0.8
492.33243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	5.9
55.93504	0.7
56.96564	1.3
57.03419	3.8
57.08116	0.5
61.02906	4.2
64.40230	0.7
66.41531	0.7
67.84776	0.6
69.03400	5.5
73.02891	4.5
81.03405	1.8
84.21413	0.6
85.02882	20.5
92.08839	3.4
92.09371	0.9
95.01323	0.9
96.40620	0.7
97.02859	7.1
98.97563	1.2
99.04476	0.8
103.03920	6.9
103.05444	0.9
109.02847	1.0
110.06039	0.9
111.04407	1.5
115.05402	5.4
119.04911	1.0
127.03901	1.5
129.06976	3.0
131.04932	1.5
133.06456	1.4
135.04370	15.9
137.02283	2.9
137.05933	1.0
139.03868	13.7
141.06978	1.4
143.04881	16.1
145.02817	1.5
145.04935	1.7
145.06490	0.9
147.04382	19.5
149.05972	3.7
157.06406	6.0
159.04379	1.1
161.05930	40.3
163.03859	100.0
165.05453	3.0
167.04910	0.9
169.06410	4.3
171.04424	9.0
173.05949	4.7
175.03850	12.8
175.07504	3.6
177.05409	8.1
179.03436	1.2
181.04887	6.5
185.05916	12.6
187.03833	5.7
187.07594	1.4
189.05421	46.4
191.03365	4.1
191.07001	1.1
193.04918	35.4
197.05891	1.3
199.03827	1.5
201.05394	6.1
203.07007	9.4
205.04945	8.6
207.06500	4.7
213.05412	26.0
215.06973	7.4
217.04913	17.2
221.04453	0.9
229.04915	0.9
231.06474	24.4
235.05942	34.5
241.04893	3.5
247.06024	3.6
249.07353	2.6
256.21454	0.8
259.05930	26.5
264.37955	0.8
265.06946	1.3
277.06976	20.1
295.08038	75.1
311.97208	0.7
313.09094	2.8
321.88589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30028	1.1
62.01904	1.2
67.05482	1.9
79.05483	1.6
81.07037	5.1
93.07040	2.3
95.08597	5.5
105.07071	1.4
105.43053	1.4
107.08581	2.9
109.10142	2.7
117.22350	1.3
119.08583	2.8
121.10127	1.5
131.08524	1.6
147.11639	1.5
159.11499	1.4
161.49638	1.7
175.73538	1.4
255.70915	1.4
294.34128	1.2
395.32971	1.6
396.33453	1.8
491.33313	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	491.3729
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
55.05495	11.6
57.07061	2.3
61.93241	1.2
67.05492	16.3
69.07048	16.3
69.86223	1.4
71.04974	7.7
79.05470	15.5
80.07733	1.4
81.07037	35.8
83.04969	2.1
83.08607	9.7
85.06529	1.6
91.05457	22.0
92.63165	1.6
93.07022	47.2
93.76964	1.5
95.08588	66.9
96.08939	2.0
97.06486	2.0
97.10181	2.2
99.08063	3.3
105.06359	2.5
105.07015	49.9
106.07328	1.9
107.08572	62.7
108.08923	2.0
109.06496	1.8
109.10139	34.8
111.08073	3.0
112.42381	1.3
113.09634	2.2
117.03352	2.5
117.06985	6.3
119.08558	100.0
121.10114	56.1
122.10414	1.9
123.08057	2.2
123.11664	19.1
131.08537	27.4
133.10107	95.0
135.07982	1.8
135.11676	43.5
135.86317	1.6
137.13249	6.9
143.08505	9.4
145.02812	10.7
145.10101	44.2
147.11676	33.2
149.13257	16.4
157.10080	10.7
159.11658	33.7
161.13208	28.8
163.14822	14.3
165.12701	2.2
171.11621	3.8
173.13246	17.2
175.14754	14.6
177.05461	12.8
177.16350	7.6
179.14305	9.2
183.11652	2.7
185.13251	9.1
187.14789	32.3
189.12744	2.4
189.16370	23.5
191.17918	37.0
193.15904	2.2
195.13811	1.7
197.13251	2.0
199.14803	2.0
201.16386	26.0
203.14342	3.0
203.17940	18.5
205.15929	6.7
207.17406	7.0
211.14775	2.1
213.16335	3.2
215.17892	11.4
217.19510	8.0
219.17422	15.8
225.16524	1.6
227.17915	2.9
229.19467	9.3
241.19562	2.3
265.14304	3.3
273.22031	2.3
285.22070	1.7
323.27164	5.2
380.50476	1.8
391.33633	2.3
409.34586	24.9
427.35611	21.3
437.34021	10.4
445.36667	29.6
455.35400	28.0
456.32092	1.8
473.36255	81.6
491.29446	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	491.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01855	0.6
55.05504	9.0
57.03425	3.1
57.07072	0.3
65.03910	0.4
67.05491	9.1
68.53618	0.2
69.07052	8.6
71.04969	0.3
71.33783	0.2
77.25064	0.3
79.05486	2.9
81.07035	10.3
83.08607	3.8
91.05458	8.5
92.08723	0.6
92.09314	0.5
93.07029	5.1
95.03439	0.3
95.04974	0.3
95.08579	10.1
97.06494	1.5
97.10139	2.5
105.07025	1.7
107.08549	2.5
109.10147	3.3
111.08070	0.3
111.11697	0.6
119.04921	24.7
119.08557	2.2
121.10084	2.0
123.11662	1.3
133.10077	1.7
135.10773	0.3
135.11684	2.1
137.13196	0.4
145.10077	0.3
147.04387	100.0
147.11679	1.1
149.07336	0.3
149.13206	0.4
161.13242	0.5
163.14862	0.3
163.56631	0.2
165.05441	8.7
175.14806	0.4
177.24815	0.3
217.19495	1.1
221.07936	0.5
234.94077	0.3
235.20560	1.7
253.21671	0.4
258.47156	0.3
309.24084	2.3
325.96304	0.3
327.25238	12.0
344.08148	0.3
473.28894	1.0
491.29944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.81769	0.4
55.01855	0.7
55.05261	0.6
55.05506	10.4
57.03434	4.3
57.07060	1.1
58.39316	0.4
61.72461	0.4
62.85130	0.4
65.03911	0.9
67.05490	12.6
69.07054	12.2
71.04995	0.9
77.02250	0.5
79.05477	4.0
81.07038	16.0
83.08589	6.3
84.87309	0.4
85.06527	0.5
85.22903	0.5
91.05459	11.3
93.07014	5.7
93.66198	0.4
95.04956	0.6
95.08586	13.8
97.06499	0.9
97.10162	3.6
99.08033	0.5
105.07001	4.3
107.08592	6.2
109.06512	0.5
109.10146	5.3
111.08042	0.9
111.11686	0.8
119.04920	31.1
119.08525	4.4
121.10120	5.7
123.08047	0.8
123.11665	3.0
125.09665	0.7
131.08533	0.8
133.10124	4.2
135.11700	4.3
137.06012	0.6
137.09578	0.7
145.10106	1.1
147.04390	100.0
147.11659	2.5
149.13246	1.1
151.11203	0.6
153.12750	0.5
159.11742	1.0
161.13240	1.0
165.05446	5.4
173.13199	0.6
175.14828	1.1
179.14330	0.8
189.16359	0.8
217.19478	2.0
235.20500	2.3
253.21498	0.9
270.37808	0.5
273.00421	0.5
309.24170	2.4
327.25223	13.3
420.29562	0.5
449.91614	0.5
491.29535	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	491.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21844	0.2
55.05499	0.5
56.40098	0.1
57.21290	0.2
59.36747	0.1
63.02333	0.2
67.05479	1.5
69.07049	1.0
78.04735	0.3
79.05473	0.8
81.07036	2.1
83.08608	0.4
87.65849	0.2
88.63157	0.2
89.03893	8.5
91.05436	1.3
93.07003	1.3
95.08580	1.9
95.84898	0.2
97.10143	0.2
100.77056	0.2
103.05434	0.4
104.19466	0.2
105.07009	0.4
106.04143	0.7
107.08585	0.8
109.10152	1.2
109.99165	0.2
117.03352	39.6
119.08585	0.4
121.06525	0.2
121.10089	0.7
131.08528	0.2
133.10089	0.2
134.03586	3.0
135.04411	2.6
135.11641	0.3
145.02821	92.4
147.04384	0.2
149.05949	15.3
151.71339	0.2
159.11681	0.3
160.41315	0.2
162.03049	0.3
163.03857	1.2
166.35547	0.2
177.05424	100.0
178.05826	0.3
186.05496	1.6
195.06445	0.4
205.12048	0.3
216.14699	0.2
245.38547	0.2
254.32507	0.2
383.34555	0.2
491.32532	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57432	0.4
53.03941	4.4
53.04141	0.5
53.46468	0.4
54.68462	0.5
54.81448	0.5
55.01848	2.6
55.05502	2.0
57.03428	5.8
61.02909	6.8
67.05494	4.2
69.03415	24.0
69.03789	0.8
69.07062	0.7
71.04985	4.1
73.02892	3.8
74.30003	0.5
78.93568	0.5
79.05471	6.0
81.03396	8.1
81.07029	7.6
81.69383	0.5
83.01317	1.0
83.04958	6.6
85.02887	47.4
85.06536	1.0
87.04448	5.5
91.03924	1.1
91.05461	3.5
92.08776	2.9
92.09409	0.9
93.07018	8.0
95.04942	3.4
95.08586	8.8
97.02867	16.9
97.06506	30.7
99.04414	2.8
100.69788	0.6
101.02371	0.9
101.06012	0.7
102.56765	0.5
105.07012	9.8
107.04957	0.7
107.08585	6.1
109.02865	5.9
109.06493	26.6
109.10165	0.8
111.04411	1.2
115.03905	0.7
117.06998	2.5
119.08558	6.7
121.06475	5.3
121.10128	1.3
123.08044	20.8
127.03902	9.3
128.06252	0.6
129.06973	2.9
131.08556	8.9
133.06480	0.8
133.10092	7.1
135.08063	2.2
135.11633	0.5
141.06989	0.7
142.07751	0.8
143.08554	8.2
145.04939	5.1
145.10092	9.4
147.07997	2.0
147.11673	3.4
149.09579	4.6
149.13190	0.5
155.08505	4.1
157.10097	8.3
159.07979	1.0
159.11650	6.8
161.09569	2.3
161.13258	0.9
167.08400	0.8
169.10107	5.9
171.08026	2.2
171.11620	5.9
173.09598	7.1
173.13217	2.8
175.11159	3.0
177.12726	1.1
181.10094	3.9
182.10832	0.7
183.11642	4.5
185.09572	0.8
185.13232	4.8
187.11185	2.7
187.14796	1.1
189.12675	0.8
193.10094	2.9
195.11624	4.1
197.13208	5.3
199.11127	3.3
201.16284	0.5
203.84940	0.6
207.11638	1.2
209.13237	4.3
211.11191	1.2
211.14780	3.7
213.12726	2.6
213.16193	0.5
215.14265	2.2
220.12596	0.7
221.13155	2.4
223.11211	0.8
223.14763	3.9
225.12686	1.2
225.16362	1.2
227.14313	0.7
229.15877	1.0
235.14764	2.8
236.15761	0.7
237.12743	1.1
237.16348	2.1
239.14360	0.7
241.16011	1.0
243.17441	2.3
249.16238	0.8
251.14253	0.7
251.17938	7.1
253.15813	4.5
253.19299	0.9
255.17352	0.7
265.15768	2.4
265.19275	1.9
267.17230	2.4
269.18954	8.2
271.20493	0.9
275.17914	2.7
281.18970	2.5
283.17117	0.6
293.18887	13.9
311.19977	21.1
328.95044	0.6
329.21036	100.0
330.21255	0.9
428.06421	0.6
491.25970	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	491.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72500	0.3
55.01865	0.7
55.05503	4.0
57.03430	3.7
57.07051	0.7
58.01056	0.4
61.02903	0.3
66.81606	0.3
67.05492	6.2
69.03403	1.6
69.07059	4.2
71.04964	0.6
79.05470	4.7
81.07039	17.1
83.08591	2.5
85.02884	3.2
85.06527	1.0
91.05451	4.6
92.08655	0.8
93.07011	6.5
95.04933	0.9
95.08006	0.7
95.08585	11.0
97.02865	0.5
97.06493	1.7
97.10152	0.9
98.61890	0.4
99.08081	0.7
105.07011	10.8
107.04939	0.5
107.08584	6.4
109.02843	0.6
109.06487	2.3
109.10126	7.8
111.11732	0.7
117.06978	2.1
119.08558	19.6
121.06501	0.7
121.10112	3.2
123.08041	0.9
123.11674	4.3
128.06207	0.6
129.06975	2.1
131.08543	16.6
133.10103	19.4
135.08047	3.5
135.11674	2.4
137.09581	7.6
137.13234	0.7
141.06992	1.6
142.07776	0.7
143.08551	8.0
144.05621	0.5
145.06448	0.8
145.10101	7.7
147.08003	2.7
147.11737	1.5
151.11172	1.6
153.06888	0.5
155.08539	7.1
156.09340	0.7
157.06448	0.6
157.10121	4.9
159.08020	13.3
159.11653	2.8
161.09589	4.0
165.07011	1.0
166.07678	0.7
167.08504	2.2
167.14151	0.4
168.09337	0.9
169.10100	7.2
171.08005	2.9
171.11646	3.5
173.09583	14.3
173.13264	0.6
174.10350	0.8
175.11145	3.1
178.07791	2.1
179.08559	2.0
180.09348	2.1
181.10104	7.8
182.10857	0.8
183.11676	3.1
185.09630	2.0
185.13162	0.8
187.11148	1.8
191.08490	0.6
192.09328	2.3
193.10118	4.7
194.10852	1.0
195.11652	6.9
196.08908	0.6
197.09573	3.1
197.13219	2.3
198.10318	1.7
199.11168	4.6
202.07875	0.6
203.08636	0.5
204.09340	2.4
205.10143	4.5
206.10892	1.0
207.11642	5.5
208.08839	0.4
208.12308	0.7
209.09668	3.0
209.13239	5.9
210.10242	0.6
211.11150	4.7
211.14664	3.3
213.09100	0.5
213.12755	5.0
215.08702	0.6
215.10661	2.7
217.10118	1.7
217.12149	0.6
218.10947	2.1
219.11652	33.7
220.12282	1.7
221.13240	2.6
222.10315	0.9
222.13892	0.5
223.11234	4.0
223.14740	8.3
224.11983	1.0
225.12703	5.6
227.10576	0.9
227.14333	0.6
229.12279	0.7
231.11655	3.4
232.12553	0.9
233.13281	3.0
235.11166	1.5
235.14755	2.8
237.12672	8.4
237.16339	1.6
238.13533	1.6
239.14259	2.7
241.12138	0.6
245.13202	2.8
246.13945	2.3
247.14717	1.7
249.12688	7.7
249.16356	3.2
250.13501	0.6
250.16978	1.8
251.14334	2.8
251.17870	4.3
253.15781	3.9
255.17371	2.0
260.15509	3.7
263.14270	4.0
264.15012	3.6
265.15927	2.1
265.19406	3.4
267.17334	5.0
269.18973	2.0
275.17868	15.4
278.16605	21.4
278.19690	0.8
283.20670	0.5
293.18936	100.0
294.19205	1.5
311.19980	77.1
312.20172	0.9
329.21054	29.4
468.75522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08800	0.6
55.01852	0.6
55.05502	5.2
57.03415	3.9
59.04963	0.6
66.56004	0.6
67.05499	6.5
68.03914	0.7
69.03408	1.1
69.07056	8.0
71.04975	0.6
79.05470	5.3
81.07037	22.7
82.97762	0.5
83.08605	2.7
85.02871	6.1
85.06522	1.5
91.05444	6.6
92.09239	2.0
93.07015	8.5
95.04969	1.1
95.08578	16.3
97.06491	1.4
97.10159	1.2
98.02682	0.7
105.06998	13.5
107.08561	8.3
109.06488	3.7
109.10140	10.2
111.11710	0.7
112.30434	0.6
112.42490	0.6
115.05365	0.6
117.07018	2.7
119.08558	20.5
121.06487	1.2
121.09164	0.6
121.10116	3.6
123.08033	0.6
123.11669	4.0
125.89359	0.7
128.06189	0.6
129.06960	3.3
131.08534	17.4
133.10101	22.5
135.08049	3.2
135.11684	3.3
137.09581	7.6
137.13315	0.8
141.06941	1.3
142.07713	0.9
143.08546	7.8
144.05690	1.1
145.06485	1.2
145.10092	8.5
147.08011	1.2
147.11664	4.2
149.13179	0.9
151.11209	0.8
153.06975	1.1
155.08530	7.3
156.09315	1.3
157.04681	0.6
157.06438	0.8
157.10092	5.5
158.07097	0.6
159.08017	14.8
159.11656	3.5
161.09605	4.1
165.07030	0.9
166.62242	0.7
167.08536	2.4
169.10089	7.0
171.08002	4.2
171.11691	3.3
173.09584	16.1
174.10365	0.8
175.11176	2.5
177.05400	0.7
178.07674	0.9
179.08516	2.2
180.09349	1.0
181.10056	7.1
183.07990	0.7
183.11656	3.8
185.09573	1.4
185.13161	1.2
187.11163	1.4
192.09337	2.5
193.10094	6.1
194.10869	2.5
195.11720	6.8
196.08701	0.7
197.09561	2.9
197.13181	3.1
198.10394	1.1
199.11145	5.8
204.09401	1.2
205.10101	4.2
207.11652	4.2
209.09550	3.0
209.13206	4.8
210.10417	1.0
211.11191	4.7
211.14772	3.9
213.12659	5.7
215.10612	2.7
218.10866	1.5
219.11630	33.2
220.12437	1.5
221.13181	3.3
222.10324	0.9
223.11176	4.4
223.14728	7.9
225.12675	7.2
225.16313	0.8
227.10719	0.9
229.12236	0.7
231.11630	4.5
232.12311	1.2
233.13246	4.7
235.14830	4.1
237.12622	7.2
237.16284	2.4
239.14238	3.0
245.13167	2.8
246.14076	1.0
247.14632	0.9
249.12650	7.5
249.16338	2.7
251.14105	1.0
251.17847	4.3
253.15807	5.3
255.17430	1.2
260.15518	2.6
263.14297	4.7
264.15009	1.5
265.19440	3.1
267.17358	5.7
269.18982	2.8
275.17899	14.7
278.16611	18.9
293.18924	100.0
294.19330	0.9
299.20972	0.7
311.19971	67.6
329.21027	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	491.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94094	1.0
53.00297	1.0
54.81589	0.9
54.81870	1.0
55.01857	1.1
55.05512	9.4
57.03414	4.1
57.07058	4.3
57.86028	1.2
61.51995	1.2
64.08794	1.0
67.05489	9.4
69.03399	5.6
69.07056	14.6
79.05460	7.3
81.03391	1.5
81.07041	31.5
83.04971	1.5
83.08595	7.4
84.08118	1.1
85.02882	6.9
85.06535	1.9
91.05460	8.1
93.06512	1.2
93.07022	13.4
95.04935	1.2
95.08587	27.1
97.02866	2.4
97.06522	4.5
97.10151	5.3
97.51590	1.5
98.06877	1.1
105.07007	14.6
106.14890	1.3
107.04913	1.6
107.08580	13.7
109.06488	4.2
109.10151	18.7
111.11690	2.0
115.05433	1.5
116.98651	1.2
117.06994	4.9
119.08549	20.9
121.06454	1.9
121.10102	8.4
123.08073	2.5
123.11705	7.0
127.03865	1.0
129.06973	2.6
131.04961	2.2
131.08542	14.0
133.10109	20.2
135.08043	4.7
135.11676	5.5
137.09607	8.5
138.18707	1.1
140.14923	1.1
143.08513	7.6
145.06461	2.2
145.10080	10.3
147.08064	2.0
147.11722	3.8
149.13269	2.6
155.08510	7.3
157.10088	6.2
159.08008	11.7
159.11670	4.6
161.09555	5.3
169.10072	4.7
171.07973	1.9
171.11723	4.2
173.09627	11.8
174.51134	1.1
175.11174	1.5
179.08530	1.7
180.09329	1.4
181.04958	1.7
181.10135	8.7
183.11632	2.1
185.09601	1.5
192.09386	1.5
193.10089	5.3
195.11694	5.8
197.09616	1.7
197.13228	2.8
198.10391	1.4
199.11113	4.7
205.10077	2.6
207.11710	5.0
209.09654	2.2
209.13321	2.4
211.11194	2.2
211.14745	4.5
213.12749	6.4
219.11658	32.8
221.13135	1.6
223.11147	5.2
223.14804	6.4
225.12788	4.5
231.11641	1.7
233.13246	1.8
235.14676	4.0
237.12697	6.6
237.16249	1.8
245.13217	4.2
246.13977	1.6
249.12689	6.9
249.16351	1.9
251.17905	2.7
253.15855	4.8
260.15549	2.0
263.14249	2.6
264.14969	2.0
265.15869	1.4
265.19272	1.5
267.17444	5.5
269.18799	1.4
275.17987	12.4
278.16602	19.5
283.20105	1.3
293.18945	100.0
311.19980	66.8
328.19745	2.4
329.20981	31.6
392.60828	1.1
491.15314	1.5
491.26175	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.01861	0.3
55.05484	0.3
57.03428	0.9
59.04986	0.3
61.02904	0.9
67.05476	0.4
69.03416	2.1
71.04947	0.5
72.44672	0.2
76.47353	0.2
79.05476	1.1
81.03384	1.1
81.07030	1.3
83.04971	0.2
85.02894	4.9
85.06531	0.3
87.04451	0.4
91.05461	3.4
93.07010	3.8
95.04939	0.5
95.08569	0.4
97.02881	2.0
97.06522	0.3
99.04391	0.3
105.07029	5.5
107.08577	60.8
109.02866	0.7
109.06488	1.5
109.10143	2.4
117.03351	0.4
117.07030	0.2
119.04913	0.3
119.08535	3.5
121.06486	2.1
121.10107	0.8
123.08058	0.3
123.11665	0.4
127.03897	1.0
131.08537	0.8
133.06418	0.3
133.10107	27.9
135.08034	0.4
135.11664	10.7
137.05981	1.0
137.09593	2.2
145.02829	1.4
145.04921	0.3
145.10085	0.3
146.03140	0.3
146.07243	0.8
147.04417	1.0
147.11664	1.0
149.05959	0.4
151.11133	2.6
161.09581	9.8
167.07014	0.8
168.06517	0.3
175.11102	0.4
177.05432	2.3
177.12640	0.2
179.10631	15.5
181.04863	0.3
193.12222	1.0
197.11699	100.0
198.11969	0.4
336.20474	0.2
337.16281	0.4
432.37653	0.3
474.67697	0.2
491.19998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
54.81554	0.2
55.01871	1.0
55.05504	0.3
56.88901	0.2
57.03429	1.1
57.07080	0.2
59.05000	0.9
61.02915	1.7
64.33372	0.2
67.05500	1.0
69.03416	5.6
69.07059	0.3
70.06589	0.2
71.04974	0.8
73.02906	0.8
75.04473	0.2
79.05492	1.1
80.32925	0.2
81.03400	2.1
81.07053	1.4
82.03732	0.2
83.04965	0.5
85.02889	17.2
85.06588	0.3
87.04470	1.3
89.03884	0.3
91.03955	0.8
91.05455	3.6
92.09113	0.9
93.07027	7.0
95.04939	2.7
95.08601	0.4
95.35999	0.2
97.02872	5.2
97.06496	0.2
99.04457	0.9
103.03912	0.2
105.07010	5.6
107.08577	22.3
109.02882	2.2
109.06470	1.7
109.10124	2.0
115.03894	0.3
117.03357	0.9
119.04919	2.5
119.08553	2.5
121.06459	2.3
123.04423	1.3
123.11682	0.4
123.17860	0.2
127.03896	2.7
131.08557	0.4
133.04985	0.3
133.06473	1.1
133.10109	22.1
134.26103	0.2
135.04463	0.3
135.11668	24.5
137.05962	1.4
137.09647	1.6
143.08514	0.3
145.02843	1.8
145.04953	1.4
146.07330	0.3
147.04381	2.7
151.11145	2.3
161.05931	0.8
161.09595	14.4
162.06287	0.4
163.03879	1.8
175.03882	1.0
177.05397	2.5
179.07205	0.9
179.10638	42.5
180.07278	0.3
197.11699	100.0
198.12042	0.3
204.54195	0.2
207.06514	1.9
271.71039	0.2
339.10596	0.3
359.16940	8.8
474.10995	0.2
491.20642	0.8
491.31982	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.01861	0.3
55.05484	0.3
57.03428	0.9
59.04986	0.3
61.02904	0.9
67.05476	0.4
69.03416	2.1
71.04947	0.5
72.44672	0.2
76.47353	0.2
79.05476	1.1
81.03384	1.1
81.07030	1.3
83.04971	0.2
85.02894	4.9
85.06531	0.3
87.04451	0.4
91.05461	3.4
93.07010	3.8
95.04939	0.5
95.08569	0.4
97.02881	2.0
97.06522	0.3
99.04391	0.3
105.07029	5.5
107.08577	60.8
109.02866	0.7
109.06488	1.5
109.10143	2.4
117.03351	0.4
117.07030	0.2
119.04913	0.3
119.08535	3.5
121.06486	2.1
121.10107	0.8
123.08058	0.3
123.11665	0.4
127.03897	1.0
131.08537	0.8
133.06418	0.3
133.10107	27.9
135.08034	0.4
135.11664	10.7
137.05981	1.0
137.09593	2.2
145.02829	1.4
145.04921	0.3
145.10085	0.3
146.03140	0.3
146.07243	0.8
147.04417	1.0
147.11664	1.0
149.05959	0.4
151.11133	2.6
161.09581	9.8
167.07014	0.8
168.06517	0.3
175.11102	0.4
177.05432	2.3
177.12640	0.2
179.10631	15.5
181.04863	0.3
193.12222	1.0
197.11699	100.0
198.11969	0.4
336.20474	0.2
337.16281	0.4
432.37653	0.3
474.67697	0.2
491.19998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
54.16169	0.1
55.01853	0.2
57.03426	0.7
63.02362	0.3
69.03413	1.9
71.05006	0.2
78.04694	0.2
79.05484	0.2
80.67052	0.1
81.03399	4.0
85.02896	1.5
87.04472	0.2
89.03895	5.4
91.05457	0.9
92.08936	0.9
95.04924	0.2
96.68427	0.1
97.02856	0.4
103.05446	0.4
106.04134	0.2
109.02857	1.4
117.03358	27.0
119.04935	0.7
127.03828	0.3
131.04877	0.2
133.06473	0.4
134.03598	1.8
135.04376	1.7
145.02826	77.5
146.03120	0.2
147.04387	3.8
148.04736	0.4
149.05954	10.7
161.06001	0.2
163.03853	0.9
177.05432	100.0
178.05836	0.3
179.06992	0.2
186.05443	0.2
195.06494	1.1
262.82358	0.2
263.34848	0.2
309.09521	0.2
321.09610	2.6
339.10669	4.2
491.14563	1.2
491.20731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
53.30406	0.2
55.01852	0.5
55.05493	0.3
55.92248	0.3
57.03412	1.2
59.04984	1.1
61.02907	2.3
67.05479	1.3
69.03415	5.8
71.04971	0.5
73.02892	1.1
79.05462	1.1
80.80191	0.3
81.03385	1.8
81.07021	1.3
83.04973	0.3
85.02885	17.9
85.06483	0.4
87.04431	1.6
91.03867	0.3
91.05460	3.3
92.09149	1.1
93.07018	7.8
95.04931	2.5
95.08589	0.6
97.02856	5.5
97.15182	0.3
99.04417	0.5
105.07011	5.5
107.08571	22.2
109.02871	1.9
109.06500	1.4
109.10117	2.0
109.96429	0.2
111.04356	0.4
113.05983	0.3
115.03909	0.6
117.06950	0.3
119.04906	1.3
119.08554	2.8
121.06474	2.8
123.04385	0.6
123.11673	1.4
127.03912	3.6
131.04935	0.3
131.08502	0.4
133.04915	0.3
133.06456	1.2
133.10101	24.6
135.08006	1.0
135.11664	23.7
137.05936	1.3
137.09602	2.2
143.08502	0.4
145.02805	1.7
145.04929	1.5
147.04405	1.9
151.11185	2.7
156.38966	0.2
159.11542	0.3
161.05928	1.1
161.09572	13.6
162.70782	0.3
163.03853	1.3
175.03848	0.4
177.05432	2.2
179.10626	43.1
180.07280	0.5
194.65039	0.3
197.11688	100.0
207.06448	1.2
243.09213	0.3
359.16907	9.1
415.12769	0.3
491.20938	0.6
491.31949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50713	0.2
53.03942	0.4
55.05503	0.3
57.03425	0.5
61.02936	0.3
63.02353	0.3
67.05530	0.2
69.03413	3.6
69.50181	0.2
71.04980	0.5
75.21258	0.2
75.44528	0.2
81.03391	5.2
82.77356	0.2
83.04965	0.4
85.02886	4.4
86.09642	0.4
87.04465	0.3
87.84643	0.2
89.03887	6.5
91.05476	0.6
93.07059	0.3
95.04964	0.3
97.02885	1.5
99.04451	0.6
99.08106	0.3
101.05991	0.3
105.07001	0.3
107.08580	2.4
109.02880	1.4
109.10139	0.4
115.03909	0.4
117.03356	26.4
117.07028	0.9
117.94485	0.3
119.04921	1.6
120.18744	0.3
121.06487	0.4
127.03897	0.5
131.04951	0.4
133.04927	0.3
133.06470	1.2
133.10123	0.6
134.03606	1.8
134.06801	0.3
135.04358	2.1
137.09531	0.3
145.02827	79.0
147.04387	5.9
148.04759	1.4
149.05960	11.9
161.05878	0.9
162.06305	0.3
163.03896	1.1
177.05432	100.0
178.05730	0.3
179.07022	1.9
179.10608	1.1
180.07312	0.6
192.36316	0.2
195.06511	0.4
197.11606	3.8
215.89108	0.3
225.65582	0.3
299.61719	0.2
321.09509	3.3
339.10626	3.8
359.17130	0.4
373.72318	0.3
374.62234	0.3
462.97922	0.3
475.26358	0.4
491.20905	2.1
517.28009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81711	5.6
55.05492	4.7
59.05001	4.7
62.49412	4.7
65.26833	4.9
67.05501	8.0
69.07043	10.6
76.56433	4.6
79.05495	4.5
81.07040	20.8
86.72505	4.3
91.05453	9.3
93.07032	25.2
94.80985	5.1
95.08585	32.3
95.91733	4.5
105.07030	23.7
107.08572	29.6
109.10130	21.0
119.08551	30.0
121.10137	34.4
131.08603	7.0
133.10081	10.6
135.11693	20.4
145.10098	18.8
147.11685	7.3
149.13205	9.5
157.10101	5.2
159.11652	18.7
161.13181	5.7
163.14778	6.0
175.14807	7.6
181.15790	6.1
201.16347	12.1
203.17885	9.3
213.26515	4.9
219.17389	24.4
400.34650	6.0
404.25970	5.5
409.34494	48.9
417.51556	6.1
427.35532	20.8
445.36496	47.8
490.42432	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	491.1528
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
52.32749	1.3
60.32498	1.8
67.04430	1.8
69.03411	2.1
77.07046	1.9
98.97531	2.3
105.40751	1.7
116.98555	2.7
132.04424	2.4
134.99586	1.8
146.99635	1.8
163.03815	2.5
168.53079	1.9
177.00711	2.1
219.01767	2.5
237.02766	6.9
269.23962	1.9
491.15125	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	491.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50713	0.2
53.03942	0.4
55.05503	0.3
57.03425	0.5
61.02936	0.3
63.02353	0.3
67.05530	0.2
69.03413	3.6
69.50181	0.2
71.04980	0.5
75.21258	0.2
75.44528	0.2
81.03391	5.2
82.77356	0.2
83.04965	0.4
85.02886	4.4
86.09642	0.4
87.04465	0.3
87.84643	0.2
89.03887	6.5
91.05476	0.6
93.07059	0.3
95.04964	0.3
97.02885	1.5
99.04451	0.6
99.08106	0.3
101.05991	0.3
105.07001	0.3
107.08580	2.4
109.02880	1.4
109.10139	0.4
115.03909	0.4
117.03356	26.4
117.07028	0.9
117.94485	0.3
119.04921	1.6
120.18744	0.3
121.06487	0.4
127.03897	0.5
131.04951	0.4
133.04927	0.3
133.06470	1.2
133.10123	0.6
134.03606	1.8
134.06801	0.3
135.04358	2.1
137.09531	0.3
145.02827	79.0
147.04387	5.9
148.04759	1.4
149.05960	11.9
161.05878	0.9
162.06305	0.3
163.03896	1.1
177.05432	100.0
178.05730	0.3
179.07022	1.9
179.10608	1.1
180.07312	0.6
192.36316	0.2
195.06511	0.4
197.11606	3.8
215.89108	0.3
225.65582	0.3
299.61719	0.2
321.09509	3.3
339.10626	3.8
359.17130	0.4
373.72318	0.3
374.62234	0.3
462.97922	0.3
475.26358	0.4
491.20905	2.1
517.28009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86605	0.9
55.01864	2.1
55.05503	20.3
57.03417	2.5
57.07047	5.7
59.04988	1.6
65.03902	1.9
65.33043	1.1
67.05490	73.0
69.03413	1.1
69.07058	28.7
71.04971	5.4
79.05475	23.0
81.07035	100.0
83.04955	2.6
83.08594	13.4
85.06520	7.2
91.05462	15.5
93.07019	34.7
95.04941	2.1
95.08581	85.6
97.06499	10.2
97.10123	9.6
99.08035	1.9
105.07011	20.8
107.08575	35.2
109.06506	2.3
109.10138	41.7
111.08089	5.8
111.11686	1.4
117.06987	4.9
119.08558	26.5
121.06478	1.7
121.10116	39.7
123.08052	4.2
123.11685	20.9
125.09576	1.8
131.08557	13.8
133.10097	17.9
135.08009	2.1
135.11679	30.8
136.63405	1.0
137.09605	2.7
137.13252	6.4
139.11125	2.3
143.08514	2.1
145.10126	12.3
147.11658	14.6
149.09610	2.0
149.13269	9.9
151.11165	1.7
151.14777	1.8
153.12778	1.2
157.10106	6.5
159.07996	1.7
159.11618	10.5
161.09630	1.6
161.13225	12.3
163.14807	6.4
165.12791	1.8
169.10106	5.1
171.11661	7.2
173.09615	1.4
173.11873	2.0
173.13193	11.0
175.14793	8.0
177.12781	1.7
177.16359	8.1
179.14357	2.3
183.11685	1.5
184.73880	1.1
185.13242	4.5
187.11133	5.8
187.14835	9.7
189.12656	2.0
189.16376	7.8
191.14278	2.5
191.17870	1.3
199.14835	2.1
201.16319	5.4
202.13496	7.4
203.14130	1.2
203.17941	2.3
205.15732	1.4
207.17409	2.5
211.14821	1.2
213.16438	1.8
215.17673	1.4
219.17412	1.1
223.14796	1.3
223.16882	1.7
225.16405	1.5
227.18028	1.7
237.16087	1.7
243.20981	8.1
255.16928	1.2
261.22067	18.5
263.17859	1.5
279.23120	59.7
280.23679	1.3
297.24265	13.4
360.41861	1.2
391.29788	1.4
401.34097	5.3
409.30789	2.3
410.31567	5.0
419.29382	2.0
419.35010	9.7
427.31137	3.8
427.40967	1.2
437.30310	7.8
437.36032	28.8
439.31769	1.3
455.30481	2.5
455.35980	4.5
472.30530	1.3
473.36591	2.1
491.30927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.8
62.37140	1.4
65.98742	1.6
67.05486	11.6
69.07044	13.9
79.05463	8.8
81.07038	30.2
83.08604	6.1
88.73483	1.4
91.05460	6.2
92.08683	3.9
92.64791	1.6
93.07022	25.5
95.04984	1.8
95.08585	41.0
103.80334	1.5
105.07021	19.5
107.08572	42.1
107.13509	1.5
109.06472	3.2
109.10136	18.0
111.07993	2.2
117.06971	2.5
119.08559	34.8
121.10121	37.4
123.08019	6.0
123.11710	11.5
131.08536	13.6
133.10091	23.1
135.08023	2.4
135.11655	35.1
137.13225	2.5
143.08496	1.9
145.02814	1.6
145.10123	18.5
147.11681	24.6
149.13251	16.5
157.10132	6.7
159.11652	11.2
161.13249	18.3
163.11145	2.5
163.14784	26.3
165.12688	1.7
168.47166	1.5
171.11632	3.4
173.13239	9.3
175.14833	10.7
177.05414	2.2
177.16327	15.5
179.14220	2.9
185.13275	3.8
187.14780	26.8
188.43776	1.6
189.12744	12.3
189.16374	31.6
190.16843	1.7
191.17865	16.5
194.64777	1.5
199.14836	6.8
201.16348	15.0
203.17912	8.7
205.15840	56.9
207.13792	25.2
207.17387	29.9
213.16336	3.7
215.17857	7.1
217.19604	2.1
219.17458	6.1
227.17836	1.7
229.19537	2.6
232.10950	1.6
233.15326	2.1
237.11514	1.8
239.18025	1.8
241.19478	1.7
255.21008	7.3
331.26178	8.6
357.27505	2.2
359.27560	1.6
391.33600	1.9
409.34903	17.0
427.35748	100.0
437.34610	14.2
438.93600	1.8
455.35986	12.5
464.66074	1.6
473.36118	14.8
491.33090	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	490.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49050	2.2
55.05511	23.9
57.07064	9.7
62.35687	2.1
67.05488	59.8
69.03403	2.5
69.07055	43.2
71.04986	3.5
72.20890	2.1
73.02987	2.0
79.05463	26.3
81.07037	92.7
83.04949	2.2
83.08595	14.4
85.06521	4.6
90.57260	1.9
91.05436	17.6
92.09212	2.9
93.07021	47.7
95.04921	2.1
95.08579	100.0
95.51541	2.1
97.06519	8.7
97.10127	8.8
103.05428	2.0
105.07011	43.5
107.08578	59.7
109.06471	4.1
109.10149	45.1
111.08051	5.2
113.09614	2.4
117.06968	10.9
119.08552	48.8
121.10120	56.3
123.08044	4.0
123.11699	25.0
125.09571	2.8
131.08546	22.8
133.10100	33.7
135.08157	2.6
135.11659	48.4
137.09573	4.3
137.13194	8.1
139.11076	3.1
143.08540	14.9
145.10120	32.3
147.07956	2.9
147.11658	25.5
149.09583	4.6
149.13206	17.3
155.08545	4.3
157.10112	16.7
159.07982	3.2
159.11650	24.7
160.08791	2.9
160.12070	2.4
161.09521	2.8
161.13222	19.4
163.11180	4.8
163.14781	13.1
165.12712	4.1
169.10088	12.8
171.11667	15.9
173.09601	4.8
173.13223	20.1
175.14790	22.3
177.16365	5.4
179.10616	3.2
183.11679	4.7
185.13284	10.0
187.11134	28.9
187.14809	13.8
189.12726	2.4
189.16325	16.3
193.10179	2.4
195.11729	2.7
197.13252	3.2
199.14841	3.1
201.16400	12.3
202.13504	37.0
203.14293	4.4
203.17920	3.5
207.17404	9.0
211.14752	3.3
213.16440	4.4
215.18130	6.2
221.15164	3.0
223.14809	22.4
225.16240	8.0
227.17865	5.5
237.16252	2.7
239.17883	4.2
241.19427	5.1
243.17261	3.5
261.22028	14.0
263.17944	15.1
277.19281	3.0
279.23135	41.0
295.20303	2.5
297.24118	12.7
359.26974	3.1
409.30865	4.6
410.31784	21.8
437.31128	19.5
437.35718	20.2
439.31830	4.7
455.30371	3.2
455.35699	6.1
456.32153	4.9
473.78024	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	490.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.1
57.03412	0.7
58.97754	0.1
59.04977	0.3
66.85542	0.1
67.05489	0.2
69.03397	1.2
69.07048	0.9
71.04965	0.4
73.06529	0.8
75.04440	0.2
79.05453	0.2
81.07046	0.3
83.04947	0.3
85.02899	1.3
85.06522	0.8
87.04436	0.9
91.05441	0.3
92.08936	0.7
93.05481	0.2
93.07021	1.2
95.04942	0.3
97.02863	0.6
97.06490	0.8
99.04438	0.2
99.08067	0.2
99.28979	0.2
103.05443	4.5
107.04929	1.7
109.02853	0.2
109.06492	0.4
111.04407	0.8
113.05997	1.2
115.07536	4.1
117.05473	0.3
120.08076	100.0
121.08401	0.2
127.03900	0.2
127.07544	1.2
129.59431	0.1
131.04881	2.3
145.08585	0.7
149.05963	1.4
161.08044	2.3
163.09619	1.4
166.08595	27.4
187.39331	0.2
249.06656	0.2
377.22296	0.2
389.26285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.3
57.07059	5.3
67.05489	39.8
69.03423	5.8
69.07054	35.1
79.05461	21.1
81.07031	71.2
83.04954	6.4
83.08587	14.8
90.85954	3.7
91.05449	28.9
93.07021	79.5
95.04943	5.8
95.08586	96.3
95.67624	3.4
97.06519	15.0
97.10165	6.1
105.07011	53.1
107.08575	80.1
108.08906	6.6
109.06552	7.6
109.10136	52.4
110.10452	3.3
111.08056	5.6
117.07001	8.4
119.08559	90.3
121.06487	6.0
121.10122	78.3
122.10455	3.3
123.08040	8.1
123.11701	29.3
125.09538	3.6
131.08568	31.9
133.10123	60.2
135.08034	6.5
135.11674	47.2
135.81659	3.4
137.09598	6.4
137.13208	5.1
139.11102	4.9
142.07841	4.8
143.08562	19.4
145.06505	4.0
145.10115	52.0
145.63655	3.5
146.30745	3.8
147.07971	7.4
147.11646	48.5
149.09599	16.8
149.13251	36.7
151.11079	4.8
157.10114	19.5
158.10591	4.6
159.08070	4.8
159.11655	34.5
161.09653	5.6
161.13245	36.3
163.11185	7.5
163.14778	19.8
165.09119	3.4
165.12767	5.8
169.10114	15.8
171.11630	27.0
173.13216	35.0
175.11180	12.9
175.14760	53.4
177.12807	4.1
177.16364	5.2
179.08470	4.0
183.11758	8.1
185.13232	20.2
187.11174	5.9
187.14828	40.7
189.12685	14.7
189.16330	31.6
191.14273	7.7
196.12401	3.4
197.13304	5.0
199.11168	5.5
199.14754	13.6
201.12740	17.6
201.16232	25.4
203.14250	3.5
203.17931	16.7
205.15752	4.9
207.17470	14.1
211.14703	4.2
213.16351	7.7
215.14429	4.7
215.17989	14.4
217.12254	21.8
217.15947	7.3
219.13687	3.4
227.17911	18.0
235.13266	5.4
237.16446	4.4
239.17911	7.6
243.17569	6.4
255.17426	7.3
257.18887	3.7
269.22488	3.9
363.30298	5.1
373.28830	4.7
381.31610	6.3
391.29807	14.4
409.30896	51.6
419.29010	13.6
426.34534	5.7
427.31979	48.3
437.29962	31.6
442.33743	4.2
444.35428	7.5
455.31238	100.0
472.34653	4.6
473.32529	17.0
490.34988	7.5
491.88431	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	490.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
54.81615	0.5
55.01859	3.6
55.05308	0.5
55.05505	7.9
56.61209	0.4
57.03416	2.3
59.04986	8.9
60.30134	0.4
61.02907	1.1
69.03413	12.0
69.70034	0.6
71.01315	0.6
71.04960	1.2
73.02895	1.1
74.06018	0.6
74.09684	4.3
79.05460	5.2
81.03398	13.2
83.04967	10.5
85.02409	0.8
85.02888	12.6
85.03370	1.0
89.03871	2.6
91.05446	3.2
92.21413	0.5
94.32617	0.5
95.04933	1.1
96.80793	0.5
97.02254	1.0
97.02867	23.3
99.04437	4.3
101.05971	3.9
103.05450	6.1
105.07011	65.9
106.07315	0.7
108.04443	2.7
109.02856	11.1
109.10147	0.7
111.04379	0.6
115.05435	11.0
117.03343	12.8
118.04144	3.4
119.04917	0.7
121.06496	0.6
123.04366	0.6
127.03887	9.9
131.04907	2.5
133.06464	63.0
143.04961	1.0
143.06013	4.7
145.02826	56.9
145.04729	5.8
147.04343	1.2
149.05968	7.7
161.05942	100.0
163.03862	0.7
165.07172	0.6
167.06993	1.0
176.40906	0.6
177.05426	98.0
178.05936	0.7
187.05971	1.3
193.08560	53.4
195.06500	0.9
216.38213	0.5
227.09119	0.9
245.10086	3.0
263.70856	0.5
301.10480	0.7
321.09549	3.4
339.10626	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	490.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
54.81615	0.5
55.01859	3.6
55.05308	0.5
55.05505	7.9
56.61209	0.4
57.03416	2.3
59.04986	8.9
60.30134	0.4
61.02907	1.1
69.03413	12.0
69.70034	0.6
71.01315	0.6
71.04960	1.2
73.02895	1.1
74.06018	0.6
74.09684	4.3
79.05460	5.2
81.03398	13.2
83.04967	10.5
85.02409	0.8
85.02888	12.6
85.03370	1.0
89.03871	2.6
91.05446	3.2
92.21413	0.5
94.32617	0.5
95.04933	1.1
96.80793	0.5
97.02254	1.0
97.02867	23.3
99.04437	4.3
101.05971	3.9
103.05450	6.1
105.07011	65.9
106.07315	0.7
108.04443	2.7
109.02856	11.1
109.10147	0.7
111.04379	0.6
115.05435	11.0
117.03343	12.8
118.04144	3.4
119.04917	0.7
121.06496	0.6
123.04366	0.6
127.03887	9.9
131.04907	2.5
133.06464	63.0
143.04961	1.0
143.06013	4.7
145.02826	56.9
145.04729	5.8
147.04343	1.2
149.05968	7.7
161.05942	100.0
163.03862	0.7
165.07172	0.6
167.06993	1.0
176.40906	0.6
177.05426	98.0
178.05936	0.7
187.05971	1.3
193.08560	53.4
195.06500	0.9
216.38213	0.5
227.09119	0.9
245.10086	3.0
263.70856	0.5
301.10480	0.7
321.09549	3.4
339.10626	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	490.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01863	1.4
55.05500	4.2
56.33025	0.2
57.03430	1.1
59.04987	4.0
61.02898	1.1
67.05484	0.6
69.03413	6.4
71.01350	0.3
71.04977	1.2
73.02892	0.4
74.06054	0.5
74.09698	4.5
74.53186	0.2
79.05491	1.9
81.03398	8.6
81.07034	0.5
83.04958	5.5
85.02882	8.4
85.06517	0.2
85.44810	0.3
86.09683	0.4
87.04443	0.3
89.03895	2.3
91.05466	2.0
92.08778	0.6
92.09275	0.5
93.07001	0.3
95.04951	0.6
97.02866	11.0
98.97584	0.5
99.04436	2.6
101.05941	1.7
101.32096	0.3
102.12975	0.2
103.05424	2.7
105.07006	28.3
107.08591	0.3
108.04479	1.2
109.02853	5.8
109.10123	0.3
111.04431	0.3
115.05422	5.9
117.03349	14.2
117.41733	0.2
118.04147	1.9
119.04865	0.9
121.02921	0.3
121.10125	0.2
127.03892	4.2
131.04893	1.2
133.06461	28.6
134.03606	0.5
135.04408	1.1
137.05966	0.3
137.09583	1.2
143.04945	0.8
143.06033	2.1
145.02820	57.8
145.04884	2.1
147.04378	1.6
149.05946	6.4
161.05937	43.1
163.03860	0.5
165.09030	0.4
167.07002	0.3
177.05423	100.0
181.08597	0.3
187.06000	0.5
193.08554	22.3
195.06499	2.2
227.09100	0.4
237.02588	0.3
245.10152	1.3
321.09647	4.7
339.10666	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	490.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14815	0.8
54.81875	1.0
55.05501	2.3
55.93523	24.0
65.03922	2.4
65.96938	1.0
66.34639	1.0
67.05481	5.0
69.03415	2.0
71.92991	2.6
72.93776	5.9
73.94556	1.0
74.06042	2.0
77.33890	0.9
81.03385	1.5
81.27179	0.9
83.04967	20.6
84.08141	1.3
85.02901	2.1
92.08643	2.1
92.09223	2.1
93.03409	2.4
95.01306	1.6
95.04960	2.3
97.02886	1.4
97.58057	0.9
98.06036	0.9
101.45189	0.9
111.04446	8.1
115.03874	1.2
121.02826	12.4
123.04372	1.9
133.02843	2.2
133.06264	0.9
134.03589	9.6
135.04404	4.5
136.06186	2.4
139.03917	2.4
145.02867	1.7
153.97169	1.1
163.03885	11.7
179.03358	56.9
179.98608	1.6
182.97441	1.9
187.95557	1.7
189.96964	1.2
191.42007	1.1
192.95650	1.1
193.96591	1.5
200.98419	1.8
205.96588	52.0
206.97377	4.0
207.98134	5.3
211.97649	2.2
217.96533	6.6
218.97356	1.1
219.94623	2.4
223.97635	77.2
224.98386	5.5
233.95998	2.2
234.96791	17.8
235.97630	28.6
236.98450	4.0
237.95580	4.9
239.97099	1.6
247.93977	10.6
248.94856	4.5
249.95468	4.6
251.97096	55.3
252.97890	49.5
253.98447	1.2
265.95053	13.0
267.96628	4.4
268.97363	4.4
269.98138	35.8
275.97128	15.2
281.99573	7.9
283.96085	5.1
285.99286	1.5
297.99152	5.4
301.98666	4.2
316.00192	2.0
317.98041	4.5
325.98703	8.0
328.00171	2.3
330.98984	1.5
334.00882	1.7
335.99158	4.5
341.08292	1.4
343.99713	22.0
346.01248	1.5
353.98236	5.5
362.00851	9.4
371.99231	5.1
390.00302	11.6
408.01199	18.9
426.02371	100.0
449.03915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11169	1.4
53.03943	2.0
53.29195	1.5
55.01862	3.2
55.05496	24.0
57.03421	3.1
57.07066	3.5
59.04994	1.7
67.05491	67.6
68.21192	1.8
69.06712	2.7
69.07056	49.3
71.04972	7.4
72.58559	1.7
79.05475	33.2
81.07034	100.0
83.04951	9.6
83.08606	12.4
85.06522	6.7
91.05463	21.1
92.64499	2.1
93.07021	64.3
95.04934	3.8
95.08584	96.7
97.06499	13.9
97.10149	13.0
99.08051	2.6
99.63071	1.6
105.07005	34.3
107.08571	53.3
109.10139	44.0
109.34577	1.6
111.08041	2.9
111.11708	2.4
111.47235	1.6
117.07012	8.4
119.08562	36.8
121.06443	2.0
121.10117	68.5
123.08060	8.5
123.11697	18.6
129.06998	2.3
131.08539	17.9
133.10110	30.5
135.07990	2.8
135.11658	33.5
137.09570	3.4
137.13295	5.6
139.11142	16.5
143.08533	4.3
145.10097	20.7
147.11652	30.5
149.09576	2.4
149.13211	14.7
151.14688	1.9
157.10077	6.7
158.10820	1.9
159.11697	11.3
161.09618	3.2
161.13214	19.6
163.11142	3.2
163.14781	8.4
165.12744	3.3
169.10007	2.4
171.11598	3.5
173.13243	11.3
175.14754	17.4
176.30649	2.1
177.16348	4.3
179.14243	6.5
183.11751	2.0
185.13196	3.4
187.14761	10.8
189.16393	17.5
191.17899	2.9
197.13309	2.1
199.14804	4.2
201.16364	3.7
203.14227	2.2
203.17949	9.6
213.16408	3.3
215.17899	2.3
217.15852	3.2
227.17860	3.3
243.21053	7.0
253.19490	2.5
261.22086	12.0
279.23132	35.4
297.24179	16.4
389.31885	2.9
399.32382	4.2
407.32883	3.7
417.33408	18.6
425.34155	27.5
435.34628	22.1
443.35419	2.1
445.02448	1.9
453.34140	22.2
471.35501	12.5
489.35980	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.67721	1.5
55.05502	17.8
57.07050	2.2
63.03267	1.6
67.05188	2.3
67.05492	34.2
69.07055	26.3
79.05454	20.7
81.06589	3.5
81.07034	58.6
83.04966	3.0
83.08607	15.0
84.15857	1.8
84.58858	2.0
85.06484	1.9
85.83637	2.0
91.05450	25.7
93.07018	66.6
95.04925	7.8
95.08582	100.0
97.06494	3.7
97.10146	7.1
105.06352	3.2
105.07018	65.4
106.52277	1.7
107.07863	3.6
107.08574	90.0
109.06513	4.0
109.10136	61.2
111.08070	3.6
111.96071	1.9
117.06997	12.6
118.06179	1.7
119.04899	4.5
119.08553	76.2
121.06537	2.0
121.10114	67.9
123.08047	4.6
123.11700	19.0
125.09619	2.2
129.06932	7.0
131.08534	32.3
133.10092	58.4
135.08022	8.5
135.11664	63.1
137.05968	3.0
137.09558	3.3
137.13213	4.7
142.07726	3.5
143.08548	16.2
144.09390	2.9
145.10106	57.0
147.04353	20.4
147.11670	42.6
149.02278	10.8
149.06003	2.5
149.09608	3.9
149.13263	25.4
151.07463	3.0
151.11208	2.4
155.08432	3.7
156.09323	3.6
157.10098	29.0
159.08090	2.2
159.11655	42.5
161.09541	6.9
161.13191	33.1
163.11133	3.3
163.14799	26.3
169.10101	4.6
170.10861	2.5
171.11638	18.0
173.13217	32.2
175.11218	2.4
175.14767	26.7
177.12714	2.4
177.16356	10.8
183.11639	7.9
185.13205	26.2
187.14799	27.6
189.12712	8.8
189.16347	25.0
191.14287	3.1
191.17926	57.5
193.04950	11.7
197.13298	2.4
199.14812	16.9
201.12724	3.9
201.14694	1.8
201.16370	17.6
203.14235	14.5
203.17934	22.0
205.15810	4.4
207.17473	4.1
211.14766	4.5
213.16322	7.4
215.14348	2.4
215.17926	7.4
217.15848	15.0
217.19453	9.2
219.13705	2.0
221.15277	7.1
227.17833	3.4
229.19412	2.4
233.15366	2.6
235.16748	6.3
241.19644	2.4
245.15440	2.3
245.18927	2.3
256.33160	2.7
257.22787	2.2
263.16238	3.7
271.20331	2.0
367.29962	2.1
385.08685	3.8
407.33014	24.8
425.34204	29.9
435.32349	8.1
443.34833	9.6
453.33682	46.1
471.34885	44.4
473.14203	9.2
489.35818	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	489.3572
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.21376	1.8
53.03941	1.7
55.05496	14.9
56.45576	1.9
57.07059	2.8
57.16052	1.5
65.53007	1.7
67.05491	22.3
69.07054	24.4
70.45792	1.8
76.56614	2.0
79.05476	14.9
81.06600	2.8
81.07043	52.8
83.04962	3.2
83.08585	9.8
91.05457	32.3
92.09267	2.4
92.53371	2.2
93.07028	57.9
95.04931	4.1
95.08588	74.7
97.06495	2.4
97.10165	3.8
103.05442	2.2
105.07011	61.2
107.07865	3.6
107.08582	100.0
109.06493	8.2
109.10137	49.6
111.08057	4.8
111.11530	1.9
117.06991	9.8
119.08563	89.2
119.27551	2.0
121.06438	2.0
121.10111	64.1
123.08013	3.4
123.11652	17.0
125.09615	35.2
129.06874	2.5
130.07742	2.2
131.08536	36.3
132.66571	2.2
133.10107	73.9
135.07930	2.6
135.11668	22.3
141.98907	2.3
143.08514	14.9
144.09319	3.0
145.10112	66.6
147.11670	36.4
149.09656	3.5
149.13228	12.5
151.11096	3.6
155.08685	3.3
157.10091	22.7
159.11678	64.7
161.13205	24.2
163.11111	2.1
163.14812	15.8
169.10118	3.1
170.10904	2.1
171.11656	20.7
171.12924	2.5
172.12482	2.5
173.13246	38.2
175.14804	30.3
177.16325	16.2
183.11646	3.0
185.13254	5.0
187.14799	52.7
189.16364	45.1
191.14290	12.5
191.17891	10.4
199.14877	18.2
201.16353	69.9
203.14287	3.3
203.17967	18.5
205.15855	22.6
207.17374	2.7
213.16354	28.3
215.17926	35.4
217.15829	2.6
217.19498	3.1
219.17375	8.9
223.16760	2.7
225.16216	2.0
227.17897	3.3
229.19438	4.7
233.18765	3.5
235.16805	7.8
237.88887	1.9
239.17786	3.6
241.19475	3.4
247.16797	4.6
261.18402	9.0
267.21054	3.4
269.15530	2.3
269.22562	3.3
341.24716	4.5
379.32965	2.4
389.31897	4.9
407.33047	42.9
423.32391	7.9
435.32611	22.9
453.33878	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	489.3573
Annotation	salvin B
Peak:m/z	Relative Intensity
51.98547	1.4
54.81518	1.5
55.05494	8.7
57.03426	1.7
57.07062	3.4
59.04968	1.5
63.01972	1.4
63.39286	1.3
67.05499	14.8
69.07055	16.6
76.78341	1.4
79.05466	10.8
81.07041	39.4
83.08595	3.9
91.05454	12.6
91.06410	1.5
93.07019	35.1
95.04952	3.4
95.08578	43.4
97.06507	3.0
97.10119	2.1
99.04425	7.6
99.08071	1.8
102.51091	1.6
103.52585	1.6
105.07003	46.3
107.08578	48.1
109.06498	3.7
109.10140	30.4
111.08067	3.4
112.26560	1.8
117.07032	5.2
117.49234	1.6
119.08554	53.3
121.06445	2.2
121.10121	100.0
123.08076	11.2
123.11679	24.9
125.09576	2.2
129.06920	2.1
131.08537	10.9
133.10106	32.0
135.08064	2.2
135.11699	22.3
137.09605	2.7
137.13245	2.7
139.11137	6.6
143.08548	2.4
145.10109	21.1
147.08037	1.6
147.11664	48.2
149.09615	2.5
149.13258	21.6
151.11205	1.9
155.05980	1.7
157.10080	10.8
159.11658	16.5
161.09599	2.3
161.13226	21.2
163.14790	9.3
165.12720	6.4
171.11650	9.5
173.13191	14.0
175.14796	28.7
177.16380	12.6
179.14240	3.3
183.11655	2.4
185.13205	9.4
187.14735	12.4
189.16309	16.6
191.17981	2.9
193.15768	1.6
199.14813	8.9
201.16357	7.3
203.14265	2.8
203.17918	18.8
211.14743	3.1
213.16373	3.6
215.17975	2.3
217.15781	15.1
217.19479	3.3
219.17424	2.2
227.18004	2.8
228.37163	1.8
229.19527	3.5
241.19383	2.4
253.19414	7.8
269.22641	6.3
271.20462	3.7
287.23618	9.8
289.21542	7.4
315.23099	1.8
333.24194	3.0
335.22131	6.9
407.33182	21.7
425.34073	36.6
435.32199	7.5
443.34854	2.9
453.33582	43.6
464.15320	1.9
471.34625	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	salvin B
Peak:m/z	Relative Intensity
50.32621	0.7
53.03927	0.8
55.01849	1.5
55.05503	25.6
55.77206	0.8
57.03424	2.4
57.07056	5.2
59.04969	1.4
59.54242	0.8
65.03938	1.2
66.29495	0.8
67.05490	69.3
69.03411	1.5
69.07053	49.3
71.04967	4.3
78.88748	1.1
79.05472	35.6
81.07036	100.0
83.04951	6.2
83.08608	11.2
85.06519	5.8
91.05457	18.2
93.07023	57.8
95.04946	6.3
95.08583	98.2
97.06513	16.1
97.10147	11.2
99.04445	2.2
99.08064	1.3
105.07014	41.4
107.08578	48.0
109.06506	4.9
109.10143	42.5
109.10733	0.9
111.04404	0.9
111.08051	5.8
111.11716	3.5
117.06990	6.6
118.40645	1.0
119.08565	41.6
121.06436	1.6
121.10122	71.0
122.10416	1.1
123.08050	9.5
123.11673	21.8
125.09597	2.1
129.07010	1.1
131.08539	14.3
133.10098	30.5
135.08032	5.2
135.11668	20.9
136.24493	1.1
137.09602	6.0
137.13216	6.3
137.53471	0.9
139.11154	18.6
143.08540	3.7
145.10101	17.2
147.08014	2.1
147.11656	30.6
149.09624	1.9
149.13234	18.8
151.11116	4.3
151.14832	1.2
153.12662	1.1
157.10120	8.9
157.12236	2.3
158.10851	1.4
159.11652	15.8
161.09555	4.0
161.13234	18.9
163.11163	1.4
163.14781	13.1
165.12679	4.6
169.10115	1.1
171.11691	7.4
173.09566	1.8
173.13222	14.2
175.11195	2.4
175.14767	18.6
177.12740	1.2
177.16318	7.1
179.14281	4.9
183.11592	1.0
185.13199	4.5
187.14824	9.8
189.12730	1.1
189.16330	13.9
191.14395	1.3
191.17862	2.2
191.98694	1.1
193.15794	1.6
197.13132	3.4
199.14787	7.0
201.12706	1.4
201.16386	6.2
203.14249	1.6
203.17915	9.6
205.15834	2.3
207.17412	1.3
211.14774	1.4
213.16354	5.0
215.17905	2.4
217.15804	7.3
217.19466	2.1
219.17409	1.6
227.17923	3.9
229.19478	1.9
231.17216	1.2
233.74992	1.1
241.19443	4.4
243.21132	9.4
253.19467	1.7
255.20883	1.0
259.20712	1.1
261.22092	13.3
271.20438	2.1
279.23151	34.8
287.23560	2.2
289.21725	1.4
293.22406	1.7
297.24136	11.2
333.24033	1.4
381.31351	1.1
399.32532	5.2
407.32962	7.1
417.33481	14.3
425.34073	22.0
435.34708	19.4
443.35132	1.9
453.34323	23.2
471.34927	17.1
489.27597	1.3
489.35416	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	489.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01746	0.2
53.53711	0.3
55.05502	0.7
57.03432	1.3
59.05002	0.3
60.25649	0.3
66.67240	0.3
67.05486	2.4
67.39691	0.3
69.03416	2.8
69.07058	2.3
71.04968	0.4
79.05471	0.7
81.03366	2.2
81.07033	4.1
83.08614	0.5
85.02888	3.6
86.01741	0.3
86.09684	0.4
87.04443	1.2
91.05453	0.6
93.07018	2.2
95.04939	0.4
95.08563	3.0
97.02878	1.5
97.06485	0.4
97.69206	0.3
105.07021	2.4
107.08588	2.6
109.02876	0.7
109.06537	0.4
109.10136	4.4
115.03902	0.7
119.08566	1.9
121.10115	2.0
123.11655	0.5
127.03817	0.4
133.05009	0.4
133.10089	1.2
135.11682	0.7
137.05923	0.6
137.09587	4.5
143.08549	0.5
145.06427	0.4
145.10123	1.2
147.11691	0.6
149.13181	0.4
151.11165	0.4
155.08540	0.5
155.10640	0.4
159.11703	0.7
161.13278	0.5
165.09087	1.6
166.31744	0.3
173.09595	0.4
177.05418	0.4
179.07083	0.3
187.14754	0.3
195.11887	0.4
195.13608	0.5
205.15952	0.6
207.17509	0.3
208.54938	0.3
209.13083	0.4
252.05144	0.4
275.26233	0.3
279.03955	0.4
317.08423	0.5
357.18793	2.6
448.18619	0.6
489.22980	100.0
489.34305	3.3
490.23178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42135	0.4
52.66764	0.4
53.00307	0.4
55.01861	0.9
55.05505	8.1
57.03431	3.7
57.07063	0.7
65.03914	1.0
67.05136	0.8
67.05491	17.1
69.07055	7.9
70.07392	0.7
71.04978	0.8
72.28216	0.4
74.27993	0.4
74.52267	0.5
75.95786	0.5
76.03280	0.4
79.05473	10.1
81.06596	0.9
81.07037	22.4
82.07327	0.9
83.04961	2.0
83.08610	4.0
91.05460	12.0
93.07029	13.2
94.07357	1.0
95.08586	22.5
96.08909	1.0
97.06509	2.5
97.10143	0.7
99.08025	0.5
105.07018	8.5
106.07323	2.3
107.08567	13.4
108.08900	2.0
109.06528	0.7
109.10134	11.1
110.10468	0.9
111.08054	2.9
117.06995	0.9
119.04918	25.8
119.05775	0.9
119.08556	16.8
120.08895	3.3
121.06439	0.5
121.10125	15.7
122.10445	2.1
123.08053	1.9
123.11677	3.8
124.11970	0.6
125.09597	0.7
129.07033	0.8
131.08545	5.1
132.08888	1.2
133.10106	10.3
134.10457	3.0
135.08020	0.8
135.11681	7.7
136.12048	0.7
137.09607	0.9
141.06964	0.6
143.08499	1.9
144.08942	0.7
145.10118	7.6
146.10460	2.8
147.04388	100.0
147.11667	5.8
148.12001	1.2
149.09608	0.8
149.13271	4.0
150.13611	0.8
151.11179	0.8
155.85310	0.5
157.10120	3.1
158.10445	1.1
159.11684	5.1
160.11980	0.9
161.09596	1.1
161.13258	4.0
162.13582	2.2
163.11163	0.9
163.14859	0.6
165.05463	12.2
171.11615	1.2
172.11942	0.6
173.09589	0.6
173.13203	4.1
174.13542	0.9
175.14787	6.2
176.15164	2.9
177.12730	0.7
183.11627	0.6
185.13182	1.1
187.14792	4.9
188.15149	3.3
189.12692	0.9
189.16377	4.5
190.16753	3.7
191.14449	0.6
191.17975	0.9
197.13271	2.0
199.14729	1.9
200.15154	0.9
201.12738	0.7
201.16365	2.4
202.16667	0.8
207.13739	0.9
207.17494	0.5
215.14265	2.4
215.17891	2.5
216.14561	2.0
217.15886	0.6
218.16180	1.9
221.08000	1.2
225.16257	0.6
227.17792	0.6
233.18915	1.1
240.18311	0.8
251.19969	2.7
325.23651	12.1
406.31885	1.8
407.32224	1.0
434.31259	3.1
435.31805	2.8
442.33740	0.6
452.32465	7.5
453.33212	5.6
470.33578	6.5
471.33502	3.4
485.68799	0.6
488.34583	15.9
489.20688	0.8
489.29031	1.2
489.35031	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	488.373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16829	2.8
54.19088	2.4
55.05489	17.9
57.07040	3.6
60.83740	3.1
62.29290	2.5
63.82589	2.4
67.05482	16.2
69.07047	22.4
79.05465	12.5
81.07040	40.7
83.08591	12.7
91.05432	17.2
93.07025	47.2
94.96373	3.7
95.08579	63.1
104.38538	2.9
105.07008	44.0
107.08568	67.3
109.10118	33.4
117.71919	2.7
119.08551	81.5
121.10110	53.9
123.07988	3.9
123.11678	15.3
125.09637	3.8
131.08516	19.6
133.10091	71.8
135.11627	26.7
137.05901	4.4
143.08557	7.3
145.10106	50.0
147.11644	35.9
149.13229	35.4
157.10101	20.1
159.11644	33.2
161.13219	32.3
163.14786	41.3
169.10092	3.8
171.11612	17.2
173.13214	19.9
175.14761	41.0
177.09021	3.7
177.16373	13.0
179.14249	4.7
183.11647	12.4
185.13264	7.4
187.14757	60.5
189.16342	92.3
191.17886	5.1
193.15794	3.2
197.13203	5.0
199.14806	5.9
201.16364	43.1
203.17911	18.9
205.15884	3.1
213.16263	6.9
215.17867	39.7
217.15770	4.9
227.17879	6.6
229.19464	17.0
235.16893	10.9
237.16388	3.5
247.16777	13.3
253.19411	16.9
261.18381	41.4
273.18326	3.3
275.20029	4.3
281.22604	4.4
285.18268	3.7
299.19876	4.6
377.31940	23.7
389.31641	4.5
395.32809	6.3
407.32843	23.3
423.26935	4.7
423.32455	100.0
425.33728	4.0
435.32843	6.3
441.33499	51.4
443.34647	5.1
453.33609	12.7
471.34497	19.9
505.40891	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	488.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.1
57.07060	4.2
65.80443	3.6
67.05490	38.4
68.63984	3.5
69.03412	4.2
69.07051	32.5
79.05469	21.5
81.07034	59.3
83.08599	7.9
88.05783	3.0
91.05453	21.2
92.08987	35.1
93.07023	60.7
95.05000	3.5
95.08586	85.1
97.06499	3.9
97.10136	7.1
105.07013	52.7
107.08576	100.0
109.06508	7.7
109.10131	50.7
119.08553	94.7
121.10119	53.2
123.04388	12.5
123.08041	5.3
123.11700	24.0
124.24058	3.3
125.09607	47.5
131.02751	2.9
131.08524	21.6
133.10109	63.9
135.11667	69.8
137.05966	25.8
137.13223	4.3
142.60077	2.9
143.08574	8.2
145.10080	41.8
147.11647	38.3
149.13237	24.8
155.08530	4.0
157.10132	18.1
159.11674	33.7
161.13232	39.5
163.14789	41.5
169.10097	6.1
171.11671	6.9
173.11942	3.4
173.13287	20.7
175.14783	36.2
177.16292	5.1
179.14273	4.8
183.11699	14.1
185.13263	17.2
187.14781	38.3
189.16344	73.5
191.17894	40.4
197.13258	3.9
199.14803	7.7
201.16272	30.5
203.17909	24.9
210.17853	3.3
211.14796	4.0
213.16360	7.8
215.17851	25.4
217.15800	4.9
227.17847	11.7
229.19574	7.7
231.13571	4.0
235.16959	5.6
239.17845	5.0
241.19519	3.7
253.19414	17.3
255.21069	5.2
261.18573	22.3
297.71149	3.5
299.19937	11.4
327.23050	64.6
377.32117	6.0
382.36758	4.1
407.32895	43.3
423.32581	51.4
425.33948	13.2
427.53732	3.3
435.33215	3.7
441.33438	23.7
443.35068	27.6
453.34109	5.9
470.33377	3.4
471.34613	51.1
488.42191	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	488.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
55.05501	8.6
56.43660	0.6
57.07055	3.1
65.30719	0.6
67.05492	17.0
69.07050	10.9
70.99449	0.7
71.04963	4.1
79.05475	9.6
81.07038	29.8
83.08609	6.9
85.06524	1.4
90.33668	0.7
91.05461	9.1
92.08710	0.8
92.64664	0.7
93.07028	23.3
95.04948	12.5
95.08006	1.2
95.08588	34.1
95.09198	1.3
97.06488	2.7
97.10143	5.1
97.65365	0.6
99.08067	0.9
105.07001	13.6
107.08583	26.3
109.06481	3.5
109.10136	21.2
110.10477	0.7
111.08073	3.0
111.11736	0.8
117.07004	4.0
119.08557	23.0
120.08858	0.8
121.06473	0.7
121.10117	25.2
123.04408	49.1
123.08001	1.5
123.11678	10.1
123.76423	0.7
125.09623	1.2
129.07010	1.6
131.08542	9.5
133.10107	20.1
134.00914	0.7
135.08009	2.7
135.11661	24.2
136.08516	0.7
137.05931	6.2
137.09595	2.9
137.13246	3.3
139.11116	1.5
141.07013	0.9
143.08536	4.3
144.09329	1.2
144.75812	0.7
145.10101	15.9
147.11656	14.6
149.09615	3.3
149.13222	8.4
151.07504	3.0
151.11150	0.8
155.08427	0.8
156.09306	0.9
157.10110	5.4
158.10931	0.9
159.11664	21.9
161.13222	11.8
163.07475	1.0
163.11102	2.8
163.14775	7.1
163.26849	0.7
165.09096	4.1
169.10072	1.1
171.11658	5.8
173.13232	10.1
175.11069	0.9
175.14821	7.0
177.09087	2.9
177.12750	2.7
177.16338	3.6
179.10701	2.5
183.11652	2.8
185.13248	4.9
187.11165	1.3
187.14789	8.8
189.12700	1.6
189.16359	9.0
191.10727	0.7
191.17900	9.0
192.01915	0.7
193.15977	0.8
195.13776	0.7
197.13237	1.7
199.11127	0.8
199.14809	4.2
199.34944	0.7
201.12642	1.2
201.16330	5.3
203.10712	1.0
203.14273	4.1
203.17961	6.8
205.12193	0.9
205.15881	2.5
211.32570	0.8
213.16414	1.3
215.14445	1.1
215.17894	3.0
217.12012	0.7
217.15828	2.7
217.19481	1.5
219.13782	1.1
221.15335	0.9
225.16376	1.0
227.17915	2.8
229.19476	2.9
231.13812	1.6
241.19698	0.8
245.15283	3.5
257.22720	1.1
259.16861	1.1
259.20578	0.8
263.16302	0.9
273.66129	0.8
275.19916	3.1
279.23245	1.0
293.21045	1.7
407.33051	2.4
409.34464	1.5
417.29950	3.4
424.32718	1.5
424.81522	0.8
425.34195	3.0
435.32275	4.6
453.33548	8.7
470.33627	4.8
471.34631	100.0
472.34976	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	488.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32231	0.8
55.05494	5.6
56.68765	0.7
57.03442	0.7
57.07069	1.6
62.28284	0.9
67.05500	7.1
69.03410	1.0
69.07047	6.8
71.04993	1.3
79.05487	4.5
81.07034	15.9
83.08605	3.7
85.06503	1.1
91.05448	4.3
92.09025	4.0
93.07021	15.8
95.04948	9.6
95.08582	25.9
97.03348	0.9
97.06488	0.9
97.10181	1.7
105.06995	11.5
107.08578	18.0
109.06500	1.5
109.10140	15.7
111.08072	1.5
111.11705	1.1
117.07037	1.4
119.08583	16.8
121.10120	19.6
122.10497	1.1
123.04402	38.1
123.08034	1.5
123.11690	9.5
131.08563	7.1
133.10112	13.1
135.07996	1.7
135.11674	16.1
137.05974	3.9
137.09608	1.7
137.13188	1.6
143.08492	1.8
145.10103	9.8
147.11644	10.8
149.09616	1.3
149.13229	7.4
151.07538	4.6
156.09200	0.9
157.10106	4.2
159.11705	12.5
161.09624	1.3
161.13214	9.0
163.07457	1.7
163.14795	5.7
165.09076	1.8
165.12762	0.9
170.10889	1.0
171.11649	4.3
173.13261	7.8
175.14789	5.4
177.09154	2.0
177.12843	1.1
185.13197	4.4
187.14833	6.8
187.16231	0.9
189.09006	1.1
189.12776	3.4
189.16408	4.2
191.14308	1.7
191.17923	11.3
199.14816	3.6
201.16348	4.8
203.14302	4.7
203.17938	6.0
205.15927	1.8
207.17407	1.0
213.16428	2.0
215.17912	1.7
217.15828	3.2
217.19476	1.5
224.74739	1.1
227.18001	1.2
229.19312	1.1
231.13840	1.5
245.15300	5.0
253.19482	1.0
257.22577	0.9
407.33182	3.4
424.32916	1.5
425.34061	1.8
435.32422	1.6
453.33630	7.1
470.33313	3.8
471.34634	100.0
472.35199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60591	2.3
55.05498	18.0
57.03451	3.1
57.07064	5.5
58.51334	2.8
67.05499	36.9
69.07059	29.5
69.07384	3.0
79.05460	27.0
81.07034	72.1
82.07388	3.0
83.04966	5.0
83.08601	14.8
88.55578	2.8
91.05461	34.3
92.08633	4.1
93.07021	66.4
95.08578	100.0
97.06517	6.9
97.10152	5.4
105.07019	54.1
107.08567	98.6
109.06506	5.1
109.10143	69.3
111.08056	14.2
113.62608	3.1
117.07040	5.6
119.08557	89.4
120.08913	3.1
121.10112	58.9
123.08079	4.6
123.11657	23.5
129.06961	13.7
131.08575	32.6
133.10085	64.4
135.07986	5.5
135.11656	67.1
137.09550	3.7
137.13266	4.6
141.06946	4.4
143.08499	32.4
145.10094	49.5
147.08032	4.7
147.11668	50.3
149.09634	6.6
149.13243	32.7
151.11143	4.7
155.08582	8.1
157.10101	41.9
159.11620	38.5
161.13235	45.1
163.14731	32.7
165.12811	4.4
168.64510	3.6
169.10110	25.2
170.10770	3.8
171.11705	25.5
173.09576	3.2
173.13234	56.4
175.11160	3.5
175.14799	31.3
177.16394	4.2
181.10063	5.1
183.11664	26.0
185.13220	18.9
187.14787	44.4
189.12711	4.9
189.16333	68.0
191.17902	7.6
193.15855	6.0
195.11740	6.1
197.13315	15.7
199.11200	3.5
199.14815	21.1
201.16354	20.4
203.14256	4.8
203.17967	7.5
205.12350	4.3
205.15849	4.0
207.17415	65.4
207.19183	5.2
209.13203	4.6
211.14848	4.0
213.16318	44.2
215.17920	19.5
223.14989	5.9
225.16359	7.4
227.17897	22.9
229.19485	4.4
231.17361	5.1
237.16316	4.7
239.17795	29.0
241.19492	14.4
243.17480	3.3
245.15350	4.1
245.19031	7.8
251.17854	8.0
253.19490	22.1
255.20990	5.2
257.18872	6.4
259.16840	3.9
265.19312	3.4
267.21005	5.9
271.16962	5.1
273.18240	6.7
285.18344	27.0
293.22977	3.9
299.20023	14.1
340.01242	3.3
374.48398	3.6
375.30356	20.4
377.31982	6.1
389.32031	7.7
393.31393	22.3
407.32996	18.5
411.32791	5.9
421.30823	15.4
423.32278	5.0
425.29965	6.5
435.32782	34.2
439.31866	39.4
442.33853	5.8
453.34427	48.2
470.32910	3.9
471.29984	6.1
471.35211	12.7
488.36557	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	488.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01859	4.0
55.05504	30.9
55.80672	0.9
57.07060	3.5
61.68959	0.9
67.05141	1.8
67.05489	42.5
69.07051	33.8
71.04960	6.0
71.08585	0.9
79.05471	20.9
81.07038	49.3
83.04967	1.5
83.08602	61.9
85.06540	4.1
87.08091	1.4
91.05458	17.8
93.07024	41.6
95.04957	12.3
95.08585	59.0
97.06522	6.4
97.10156	5.3
98.50542	0.9
99.35793	0.9
105.07010	22.5
107.08575	35.7
109.06525	2.3
109.09383	1.7
109.10135	32.7
111.08064	17.4
112.63230	1.0
117.07012	7.2
119.08559	31.6
121.06501	4.1
121.10113	31.5
123.04396	39.0
123.08051	5.1
123.11687	15.1
125.09605	2.2
129.06979	2.2
129.09087	2.3
131.08533	14.6
133.10100	23.3
135.08028	5.3
135.11668	33.1
137.05965	4.8
137.09572	1.7
137.13239	2.1
139.07494	8.1
139.11191	2.1
141.05453	1.3
143.08548	7.7
145.10106	25.4
147.08037	1.1
147.11642	17.5
149.05957	1.4
149.09592	4.7
149.13240	11.6
151.07526	3.6
154.16240	0.9
155.08513	1.7
157.08633	2.1
157.10109	7.5
159.11664	19.5
161.09505	1.6
161.13237	15.0
163.07552	1.6
163.11098	1.6
163.14798	8.6
165.09090	3.2
165.12686	1.5
171.11592	7.3
173.13200	10.6
175.09616	16.6
175.11058	1.7
175.14804	10.4
177.09154	3.9
177.12727	2.2
177.16339	5.0
179.14215	1.8
183.11659	2.0
185.13245	8.2
187.14769	9.8
189.12759	1.7
189.16367	7.8
189.66202	1.0
191.14342	1.5
191.17921	9.7
197.13278	1.7
199.14771	4.7
201.16379	6.2
203.14307	3.8
203.17882	8.5
205.15831	2.1
207.17493	1.8
211.14894	1.3
213.16364	2.2
215.17873	4.3
217.15872	3.8
219.13663	1.9
227.17940	1.9
229.19611	2.0
231.13802	1.9
233.15375	1.3
241.19440	2.0
243.21030	4.4
245.15253	4.3
245.18976	1.0
253.19398	1.4
259.20630	1.0
261.14755	1.3
261.22061	6.1
279.23178	16.8
281.20938	1.3
297.24176	13.3
339.23227	1.2
381.27606	1.2
389.31256	1.4
399.28818	2.2
407.33160	1.4
417.29895	22.5
425.34344	8.5
435.31119	14.5
442.33792	1.6
453.32513	19.0
471.34616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
54.81852	0.8
55.01854	4.6
55.05498	1.1
57.03426	1.4
59.04989	0.9
61.01083	0.8
61.02916	7.4
65.03921	2.1
67.05481	7.9
69.03396	6.1
69.07061	1.4
70.06580	0.8
71.04987	1.9
72.08130	1.4
75.04449	2.0
79.05459	6.0
81.03402	3.2
81.07039	5.3
83.04934	1.0
83.08594	5.1
85.02895	8.2
85.06491	1.3
86.06036	6.0
86.09678	1.9
87.04444	5.2
91.05466	11.6
91.18008	0.9
93.03374	6.3
93.07032	7.0
95.04943	93.3
95.08559	1.8
97.02873	6.0
97.06487	5.4
99.04406	3.9
99.08047	1.5
103.05449	7.2
105.04489	5.6
105.07001	3.5
106.04156	18.8
107.04924	7.4
108.02104	1.0
109.02856	1.6
109.06519	1.3
111.04414	1.4
111.08054	3.5
115.03911	1.1
119.04881	3.9
121.06479	23.5
123.04397	100.0
123.08036	1.4
123.11649	2.1
125.05960	6.0
125.09602	5.7
127.03853	1.7
127.07508	2.1
129.09120	6.9
131.04893	3.7
133.04948	1.3
133.06448	3.8
134.03568	3.7
135.04366	3.8
137.05949	3.9
139.07509	4.2
140.04654	36.3
141.12682	1.7
145.02805	1.0
147.04411	5.1
148.05084	1.6
149.05952	37.8
149.07095	1.9
150.61020	1.0
151.03903	1.1
153.05403	1.3
153.09073	9.8
155.07002	50.7
157.12207	1.3
159.04630	6.0
159.10109	5.8
161.05984	4.1
163.03886	5.4
163.07477	1.7
167.06996	20.8
177.05426	22.1
179.06984	1.7
180.07820	1.7
181.08546	14.0
183.06482	71.5
191.06970	5.3
192.07712	4.8
193.05002	2.3
193.08606	3.9
194.05365	1.2
195.06508	7.2
197.35568	1.1
209.08058	66.2
225.07640	1.1
243.08569	1.5
248.21506	1.0
292.26205	1.2
488.14340	5.3
499.85834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86120	0.4
53.00302	0.5
53.03937	0.7
54.74406	0.3
55.05503	7.6
57.03434	4.4
57.07064	3.8
59.04988	2.9
61.02920	0.4
65.03933	0.5
67.05493	37.2
69.03419	12.7
69.07052	5.0
69.85819	0.3
70.06583	0.3
71.04977	49.9
71.08630	0.7
71.95997	0.3
73.02911	0.9
73.06567	0.4
75.04461	0.4
75.38612	0.3
79.05492	2.9
80.38737	0.4
81.03394	0.7
81.07038	100.0
83.08597	4.3
84.08086	0.4
85.02888	10.5
85.06526	17.2
85.61589	0.3
86.06054	2.1
86.09698	5.2
87.04451	7.9
92.09442	0.6
93.62514	0.4
94.09819	0.4
95.04962	0.6
95.08586	8.6
97.02864	7.7
97.10150	2.5
99.04468	0.5
99.08066	5.0
101.05944	0.4
103.05436	0.5
109.02863	0.8
109.10155	0.4
113.05959	0.4
115.03935	4.3
120.89879	0.4
123.04384	0.8
123.10783	0.9
123.11681	25.5
125.09570	0.5
127.03891	0.9
129.09103	1.7
132.49481	0.4
133.04924	3.9
133.05919	0.4
141.12723	94.0
147.04414	1.8
155.07076	0.4
159.13782	29.4
163.03896	0.7
167.06978	0.6
177.05475	0.9
177.14824	70.5
188.49251	0.4
194.08128	0.5
209.08124	0.5
215.13919	0.8
243.13336	0.4
339.20047	2.4
381.72229	0.4
438.51517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05499	1.4
57.03423	4.2
69.03420	7.5
71.04989	1.3
81.07026	1.6
83.04966	1.5
85.02893	7.9
85.06537	1.3
86.98166	1.0
87.04447	4.8
97.02855	7.4
97.06503	1.8
106.06538	19.4
111.08067	1.4
111.81989	1.2
115.03928	1.8
117.05611	1.4
118.06518	1.4
120.08086	1.4
123.08009	1.7
124.61211	1.1
127.03899	1.7
127.07482	1.5
127.11135	1.9
130.06502	68.3
131.07080	1.2
132.03395	1.5
132.04419	41.2
132.08061	14.4
133.04875	1.4
137.05960	1.3
139.07492	1.7
141.09108	1.4
146.06003	13.4
148.07553	64.1
157.08574	2.1
158.05980	24.7
163.03862	4.3
176.07034	100.0
194.08083	37.0
263.78915	1.2
420.42590	1.2
453.52484	1.2
487.17487	4.7
488.17926	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	488.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01849	4.5
55.05505	1.4
57.03416	1.1
61.02908	6.3
65.03921	1.6
66.97186	0.8
67.05490	8.2
68.77386	0.8
69.03400	4.8
69.07038	3.6
70.06562	3.8
71.04964	2.1
72.36866	0.8
73.62672	0.7
75.04464	1.0
76.56002	1.1
78.04702	0.8
79.05462	4.4
81.03386	2.0
81.07021	5.8
83.08595	4.0
83.12708	0.9
84.04488	1.2
85.02879	9.1
85.06533	1.2
86.06020	1.4
86.09679	5.3
87.04452	4.3
89.03901	0.9
91.05454	10.7
93.03378	6.5
93.07002	4.4
95.04943	86.1
95.08586	1.2
97.02859	4.2
97.06524	3.2
99.04432	1.4
99.08028	1.2
103.05443	5.2
105.03400	0.8
105.04471	4.3
105.07012	3.7
106.04160	18.4
106.57595	0.8
107.04924	5.0
109.06485	1.4
111.04359	0.9
111.08026	1.1
115.03922	1.4
117.03332	1.2
119.04948	1.4
121.06474	26.7
123.04398	100.0
125.05957	4.9
125.09610	1.4
127.03899	1.0
127.07521	1.6
129.09073	3.7
131.04933	6.5
133.02797	5.5
133.06439	1.6
134.03607	1.0
135.04384	4.3
137.05930	5.4
139.07536	2.0
140.04666	27.6
141.12720	3.8
145.04962	1.4
147.04349	1.9
148.05127	3.6
149.05960	34.9
151.03937	1.1
151.07539	1.4
153.09064	7.6
155.06999	51.2
159.04558	1.9
159.10110	1.5
159.13823	1.8
161.05917	4.9
163.03859	5.3
163.07495	3.5
165.05472	3.0
166.06104	0.9
167.06990	19.8
177.05414	19.5
177.14804	1.4
178.02545	1.0
180.07832	1.4
181.08565	11.9
183.06480	73.0
191.07019	4.5
192.07739	2.1
193.04951	25.6
193.08551	3.9
194.05267	14.1
195.06551	9.4
206.36221	0.9
209.08049	63.9
210.08415	0.9
233.69638	0.9
243.08551	3.6
293.32877	0.8
366.15872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.48167	2.6
54.81326	2.7
55.01868	3.0
55.05501	14.2
57.03432	3.8
64.86029	2.9
67.05502	24.0
69.03403	16.7
69.07050	22.8
71.04962	3.7
79.05476	22.7
81.07047	45.5
83.04967	4.0
85.02883	30.1
91.05444	21.4
93.07018	44.5
95.04919	13.8
95.08581	63.2
97.02848	6.4
97.10101	3.9
100.50497	2.8
105.07012	49.9
107.08585	71.9
109.06477	4.5
109.10139	36.8
113.05981	3.5
117.06990	7.8
119.08553	100.0
121.06467	3.7
121.10103	72.4
123.08073	21.9
123.11657	14.2
129.06970	7.2
131.08528	43.5
133.06407	3.9
133.10110	67.9
135.11662	37.1
137.09586	6.9
137.13251	5.7
138.91257	2.9
142.07739	4.4
143.08554	41.4
144.09369	5.5
145.10104	51.4
147.08067	5.1
147.11684	26.9
149.09578	4.0
149.13210	15.1
151.11115	3.5
155.08562	5.8
156.09300	4.1
157.10094	43.8
158.10870	6.2
159.11635	55.3
161.13205	65.0
163.14789	14.5
169.10104	17.5
170.10945	3.4
171.11659	32.3
173.13214	75.0
175.14774	43.0
177.16299	5.9
179.14259	19.7
181.10117	5.6
182.34319	3.3
183.11630	16.7
185.13191	16.3
187.14789	27.9
189.16307	17.2
191.14275	5.2
193.15819	40.1
195.11667	3.6
196.12404	3.3
197.13199	24.1
199.14697	23.3
201.16370	18.2
203.14279	14.1
203.17891	4.7
205.15881	4.8
207.17578	4.7
209.13203	7.3
211.14748	13.9
213.16377	27.3
215.17908	25.7
221.13321	4.2
223.14821	4.4
225.16260	12.4
227.17885	21.9
229.19496	4.3
231.17419	5.2
235.14682	4.6
237.16263	6.5
239.17804	11.5
241.19534	5.6
251.18082	5.3
259.17059	7.1
261.18408	4.6
265.19464	6.6
267.17267	4.3
283.20624	3.2
285.18384	4.4
293.22629	4.5
301.21222	4.0
309.22021	16.2
337.21320	3.9
387.30090	14.9
393.31271	13.9
405.31241	20.5
421.30862	13.2
423.32614	21.9
433.30908	34.3
439.31897	6.1
441.33636	6.7
445.18835	7.5
451.27280	3.2
451.32043	55.6
469.33456	61.5
487.34665	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	487.3415
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
50.82811	0.5
55.01863	0.6
55.05496	4.0
57.03413	1.0
57.07079	1.6
58.58542	0.6
62.61900	0.7
67.05482	7.2
69.07055	6.7
74.00803	0.6
79.05494	4.7
81.07034	13.7
81.25521	0.6
83.04957	2.8
83.08613	3.3
85.06564	0.9
91.05444	5.6
92.38886	0.6
93.07025	13.2
95.04949	3.6
95.08575	23.3
97.06516	1.0
105.07008	14.4
107.04922	0.9
107.08564	21.9
109.06498	2.7
109.10142	12.3
109.20699	0.6
111.08066	1.1
114.36614	0.6
117.07005	3.1
119.08556	24.4
121.06484	1.2
121.10121	14.1
123.08044	2.7
123.11691	6.8
129.07040	1.0
131.08533	8.4
133.06485	3.3
133.10103	14.0
135.08018	3.6
135.11647	10.6
143.08525	4.3
145.06473	0.7
145.10100	8.8
147.08022	6.6
147.11661	10.5
149.09605	1.2
149.13258	4.3
155.08524	1.5
156.22496	0.7
157.10074	5.3
159.07965	7.1
159.11642	8.2
161.09552	5.6
161.13223	7.4
163.07503	1.0
163.11111	0.8
163.14833	1.5
169.10159	2.8
171.08005	1.2
171.11646	4.8
173.09645	4.7
173.13220	7.6
175.11157	1.4
175.14821	7.4
177.12630	0.9
177.16335	2.8
179.14313	0.9
181.10129	1.0
183.11725	2.7
185.09526	5.4
185.13235	3.1
187.11182	3.3
187.14793	5.2
189.12740	1.1
189.16348	11.7
191.17981	1.5
197.13303	3.3
199.11176	4.4
199.14815	3.4
201.12753	1.3
201.16354	2.6
203.14246	1.4
205.12331	0.9
209.13208	1.2
211.14883	0.9
213.12755	1.0
213.16376	3.2
215.14279	3.9
215.17937	1.4
217.15813	1.3
223.14731	0.7
225.16356	1.0
227.17865	2.8
229.15852	1.2
229.19482	1.1
233.15237	2.3
235.16919	8.9
239.14282	2.5
239.17845	3.0
241.15930	2.5
241.19431	1.3
243.17528	1.4
251.17982	1.0
253.16042	0.7
253.19423	1.3
255.17488	2.7
257.18893	0.8
261.14996	0.8
269.18948	4.1
271.20657	0.9
279.20984	1.0
281.18866	3.6
283.20389	0.9
297.22159	0.7
301.18002	2.9
313.21613	0.8
327.19461	2.6
377.28195	1.3
405.31638	1.6
411.05829	0.8
411.32227	0.8
423.32733	7.0
441.33691	1.6
451.31836	2.7
456.32108	2.7
469.33194	4.6
487.34097	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	487.3417
Annotation	Iridotectoral B
Peak:m/z	Relative Intensity
51.92050	0.7
55.05236	0.9
55.05497	5.1
56.84293	0.8
57.07053	1.4
67.05499	10.0
69.07052	6.8
79.05466	6.3
81.07033	13.7
83.08587	1.7
91.05478	7.0
93.07024	17.8
94.96932	1.0
95.04941	1.4
95.08588	22.1
99.53351	0.9
101.80863	0.9
105.07017	21.9
107.04934	1.3
107.08583	31.5
108.18579	1.1
109.06484	4.5
109.10134	13.2
116.36427	1.1
117.06957	1.9
119.08562	29.7
121.06451	2.0
121.10119	21.3
123.07999	2.1
123.11680	4.1
125.09643	1.0
125.46726	1.0
129.06955	1.2
131.08566	9.6
133.10106	46.5
135.08022	3.7
135.11687	23.8
137.09624	1.9
143.08537	7.1
145.10098	20.7
147.07971	3.7
147.11676	12.9
149.09586	4.3
149.13261	12.0
155.08557	1.2
156.09328	1.0
157.10130	9.2
158.10893	1.6
159.11674	15.0
161.09570	6.1
161.13232	7.9
163.11111	1.3
163.14787	5.9
169.10107	4.1
171.11656	10.2
172.12479	1.4
173.09572	7.9
173.13197	16.3
175.11133	3.6
175.14818	15.7
177.12849	1.3
177.16377	1.6
183.11690	4.2
185.09590	1.4
185.13237	5.7
187.14767	20.5
189.12721	2.2
189.16353	20.1
197.13225	4.9
199.14783	8.6
201.12749	1.4
201.16307	2.3
203.14302	2.0
203.18002	1.9
209.13234	1.3
211.14824	2.4
213.16316	4.0
215.14294	21.4
215.17868	1.3
217.15779	4.8
223.14778	2.0
225.16385	2.3
227.17859	2.4
229.15810	1.6
229.19380	1.6
237.16360	1.6
239.17868	1.5
241.15814	1.1
241.19391	4.5
243.17467	1.2
255.21016	1.3
265.19403	1.6
285.22150	1.2
289.17847	4.0
291.21072	1.4
297.21933	2.2
343.22455	4.0
387.30344	2.0
405.31412	10.5
433.30954	6.3
441.33304	4.0
451.32007	100.0
469.33105	63.5
487.34494	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	487.3416
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.01863	0.5
55.05496	6.2
57.03428	0.5
57.07067	1.2
62.69795	0.4
67.05483	3.3
69.03422	1.3
69.07059	4.4
69.16065	0.5
70.06597	0.5
70.73805	0.4
79.05471	2.9
81.07043	9.5
83.04960	2.1
83.08609	3.2
85.02884	6.1
85.06533	0.7
86.09689	0.7
91.05455	4.6
93.07012	8.7
95.04908	0.7
95.08588	10.1
97.02843	0.8
97.06501	1.3
99.08070	0.8
100.07601	1.2
100.11241	9.6
105.07004	13.3
107.08575	11.9
109.06496	0.8
109.10157	4.9
111.04434	3.0
111.08067	1.0
112.07631	0.6
117.07010	2.2
119.08562	14.8
121.10115	7.6
123.08096	0.9
123.11703	3.0
127.03912	1.2
128.07086	0.7
129.06992	1.2
131.08542	8.8
133.06427	0.5
133.10103	10.2
135.08008	0.9
135.11670	7.9
137.09628	0.6
142.07779	0.7
143.08556	3.4
145.04985	0.9
145.10095	9.0
147.08031	0.5
147.11662	6.5
149.13258	3.2
155.08568	1.3
156.09305	0.7
157.10132	2.6
159.08025	0.8
159.11638	5.6
161.09612	1.1
161.13188	5.0
163.07472	1.1
163.11102	0.5
163.14777	2.3
168.09282	0.5
168.13823	2.8
169.10127	2.5
171.11612	4.4
173.13228	10.3
175.11176	0.8
175.14810	4.8
177.16403	0.9
181.10114	0.8
182.15350	6.6
183.11646	4.1
185.13220	2.9
187.11136	0.7
187.14737	5.7
189.12744	2.5
189.16371	8.7
196.13390	0.7
197.13243	4.3
199.14827	2.9
201.12677	6.9
201.16447	1.1
203.14368	1.1
203.17981	0.7
205.15887	0.7
207.13809	0.5
207.17438	5.6
209.16469	1.9
210.14815	5.1
211.14774	2.0
215.14268	2.3
219.13722	4.1
225.16283	1.1
251.15433	0.5
261.14899	0.6
265.14325	1.3
314.65619	0.6
393.31174	0.6
423.32397	3.7
441.33682	2.9
469.33099	3.2
487.34073	100.0
487.87680	0.7
488.34579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.63948	0.8
52.17418	1.0
55.01892	0.9
55.05504	6.4
57.07062	2.2
67.05487	7.0
69.07049	8.0
79.05468	8.2
81.07037	19.5
83.04975	2.7
83.08598	4.3
91.05463	8.7
93.07025	20.7
95.04961	4.9
95.08582	24.1
97.06531	1.3
105.07007	32.0
107.08572	36.4
108.08949	1.5
109.06513	2.0
109.10129	15.5
117.06996	2.5
119.08556	35.4
121.06467	2.4
121.10123	23.8
123.08031	1.8
123.11705	5.5
131.08551	13.5
133.10101	68.6
135.08040	2.7
135.11670	20.5
137.09584	1.7
142.07784	1.2
143.08551	6.5
145.10112	26.8
147.08105	4.1
147.11659	22.2
149.09511	1.7
149.13258	11.6
153.09167	1.1
155.08533	2.1
157.10104	10.5
158.10825	1.6
159.11667	17.5
161.09583	8.1
161.13228	10.3
163.11121	2.0
163.14818	7.1
165.01117	1.2
169.10104	5.2
171.11621	11.6
172.12416	2.8
173.09604	5.1
173.13226	27.3
175.11066	2.6
175.14775	26.2
177.12810	1.4
177.16255	1.4
181.10124	1.5
183.11646	4.9
185.13202	7.5
187.11209	2.1
187.14783	25.0
189.12738	5.3
189.16342	34.3
191.14368	1.3
195.11595	1.4
197.13220	5.6
199.14816	10.8
201.16347	8.0
203.17943	2.3
205.15933	1.3
207.17467	5.0
211.14798	6.1
213.12712	1.6
213.16353	5.8
215.14290	17.5
215.17842	2.2
217.15790	10.8
217.19569	1.2
223.14467	1.2
225.16406	4.8
227.17946	4.4
229.19519	1.2
231.17435	2.8
233.15329	1.9
237.16365	2.1
239.17903	4.8
241.19438	5.0
243.17332	2.1
247.16803	1.8
257.18933	4.7
260.13525	1.7
261.14337	1.6
297.22058	2.7
343.22690	1.7
387.30167	4.5
405.31467	18.9
423.32574	4.2
433.30911	7.0
441.33771	8.4
446.48990	1.3
451.31973	100.0
469.33060	97.6
487.34857	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	487.3415
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.65385	0.7
52.17994	0.8
52.23500	0.8
55.05274	0.9
55.05501	9.6
56.67868	0.8
57.03428	1.0
57.07056	2.3
59.04961	1.0
67.05490	11.1
69.07055	13.7
71.04949	1.5
73.45272	0.8
79.05475	8.3
81.06590	1.7
81.07038	31.7
83.08589	5.7
85.06509	1.0
91.05465	13.0
93.07028	30.7
95.04937	3.9
95.08582	41.3
97.02858	1.3
97.06504	3.9
97.10160	2.0
99.08100	0.9
101.18279	0.9
105.07014	32.2
107.07856	1.8
107.08577	45.6
109.06483	4.0
109.10136	23.6
111.08045	4.1
116.92009	0.9
117.07000	5.2
119.08564	43.4
120.08927	1.0
121.06525	1.5
121.10119	29.8
123.08072	1.7
123.11684	16.7
125.09538	1.2
129.06958	1.7
131.08542	16.4
133.06435	1.8
133.10107	32.3
135.08055	1.9
135.11667	34.8
137.09595	1.4
137.13231	2.3
139.11179	3.6
143.08562	8.8
143.92038	1.1
145.02786	1.7
145.10091	20.2
147.11653	20.0
149.13232	19.1
151.07553	1.1
151.11159	1.0
155.08511	4.1
156.09369	1.6
157.10120	9.7
158.10857	1.5
159.11670	14.3
161.09584	1.5
161.13216	19.1
163.14784	9.2
169.10078	4.1
171.11646	9.9
173.13219	17.0
175.14783	20.4
177.05495	1.1
177.12689	1.9
177.16402	6.1
183.11707	3.8
185.09674	1.0
185.13187	5.9
187.14786	26.0
189.12732	5.7
189.16350	16.6
191.17923	1.7
197.13268	4.2
199.14735	6.1
201.16368	10.8
203.14265	1.9
203.17995	4.5
207.17424	5.7
209.13193	1.5
211.14778	1.6
212.22768	1.1
213.12621	1.0
213.16316	9.2
215.14261	1.5
215.17889	8.7
217.15887	3.6
217.19514	1.4
221.19020	1.2
223.14822	1.9
225.16336	2.0
227.17914	6.7
229.15958	1.9
229.19452	4.9
233.15236	1.2
235.16824	1.2
239.17970	3.8
241.19385	10.9
243.20982	2.1
253.19498	2.3
255.20998	5.0
257.22552	1.4
258.82629	1.0
267.21039	1.8
269.22733	1.0
313.21393	1.1
347.26971	1.1
377.31897	5.7
387.30286	1.9
395.32968	4.2
405.31430	3.9
411.32272	1.2
423.32550	18.2
441.33707	10.3
451.31976	6.4
469.33041	100.0
487.25327	3.2
487.33850	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	487.3414
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.35662	1.0
53.74986	1.1
55.05499	7.3
57.07058	1.4
57.85284	1.2
62.82658	1.4
67.05490	8.0
69.07047	8.8
79.05478	8.7
80.14615	1.2
81.07033	12.9
83.08605	3.1
91.05463	6.9
92.09064	2.6
93.07025	16.5
95.05005	1.8
95.08576	33.9
105.07005	28.7
107.08567	26.6
109.06499	2.1
109.10126	16.3
111.08050	2.1
117.06985	1.8
119.08553	51.5
121.06506	5.3
121.10117	39.0
123.08014	2.7
123.11646	5.2
129.07086	2.2
131.08543	12.9
133.10081	29.7
135.08038	3.0
135.11674	14.8
135.37450	1.3
137.09607	2.1
137.13240	2.0
143.08530	6.0
145.10120	25.3
147.08086	3.5
147.11629	15.6
149.09584	2.6
149.13222	11.7
153.09180	2.3
155.08601	1.8
157.10077	12.1
158.10886	1.4
159.08054	2.4
159.11685	14.9
161.09645	3.5
161.13255	18.5
163.11150	2.7
163.14766	2.5
169.10059	3.4
171.11655	8.6
173.09550	2.2
173.13208	14.1
175.11267	2.0
175.14778	38.2
177.12686	2.8
181.10071	2.0
183.11690	5.7
185.13257	8.0
187.11110	3.1
187.14781	28.0
189.12778	5.3
189.16348	25.5
190.17059	1.4
191.18001	1.9
193.15845	2.2
195.11723	2.9
197.13289	7.1
199.14751	13.6
201.12708	2.0
201.16374	6.3
211.14851	3.0
213.00114	1.5
213.12752	1.7
213.16354	1.6
215.14244	20.4
215.17749	1.9
217.15907	9.5
219.13747	1.6
223.14856	2.1
225.16426	2.9
227.17982	5.7
229.19528	1.6
231.17365	1.9
233.15359	2.9
235.16893	2.5
239.17990	5.5
251.16183	2.2
253.19536	3.1
265.19412	3.5
271.20712	1.7
273.18512	1.7
291.21158	1.9
309.22104	1.7
315.58847	1.4
341.16248	1.6
387.30322	3.4
405.31537	13.5
423.32596	3.1
433.31003	16.4
434.23724	1.5
441.33432	2.5
451.32080	49.8
469.33148	40.9
487.34091	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	487.3416
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
54.58723	0.5
55.05505	4.9
57.07058	1.0
59.05001	0.6
61.80172	0.5
67.05482	7.0
69.07046	6.1
70.87045	0.6
71.04967	0.9
78.01882	0.7
79.05482	6.9
81.03396	1.5
81.07036	9.0
83.08593	2.4
85.02908	0.6
87.00526	0.6
91.05476	5.4
92.08979	1.5
93.07021	32.6
95.04943	1.4
95.08583	22.7
105.07007	14.4
105.79755	0.7
107.08572	22.4
109.06517	3.0
109.10139	27.3
109.10851	1.4
111.08102	1.5
117.07001	1.2
119.08560	14.2
121.10118	100.0
123.08038	5.9
123.11719	2.7
125.09641	1.0
129.06973	1.0
130.07791	0.9
131.08543	6.4
133.10094	11.0
135.08003	1.1
135.11679	14.9
137.09589	3.6
137.13258	1.2
143.08521	3.6
145.10089	9.4
147.08003	0.8
147.11676	6.1
149.09589	3.7
149.13193	5.5
151.11081	1.2
153.09084	1.5
153.12770	1.0
157.10109	4.4
159.11665	7.1
161.09525	1.2
161.13206	6.3
163.11176	1.3
163.14803	8.9
165.12689	1.4
167.10655	5.4
169.10063	0.9
171.11679	3.2
173.09676	1.0
173.13223	9.0
174.46265	0.6
175.14778	4.4
177.16342	2.5
181.12152	1.0
183.11646	2.9
185.11749	2.1
185.13297	3.5
187.11220	1.1
187.14781	6.4
189.16350	4.6
191.14355	1.1
197.13306	1.5
199.14816	3.3
201.12640	0.8
201.16312	5.4
203.14330	0.9
203.17891	2.9
205.15833	2.6
207.17404	0.8
209.13252	1.2
211.14803	1.4
213.16414	0.8
214.57881	0.8
215.17867	1.1
219.13768	2.7
225.16322	0.8
225.44179	0.8
227.17889	0.9
233.15404	1.6
239.17877	0.8
241.19377	1.1
243.21021	4.0
257.18951	0.6
257.19891	0.9
257.22574	13.6
259.24313	0.8
281.22632	1.1
285.22064	2.5
289.21695	2.7
303.23114	36.3
309.25601	0.9
397.30817	0.9
405.31281	3.2
423.32581	7.0
425.30035	1.1
433.30746	1.4
441.33609	2.6
443.31442	10.9
451.32278	4.6
469.33066	16.9
487.34225	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	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.72855	2.2
52.68869	2.4
53.03942	3.3
55.05497	20.2
57.07055	3.3
62.11378	3.1
67.05501	22.4
69.07059	26.5
71.04966	3.4
79.05491	24.3
81.07034	41.7
83.08600	16.9
91.05469	28.2
93.07025	41.5
95.04942	4.4
95.08578	53.7
97.06490	4.8
105.07008	35.4
107.08580	100.0
109.06488	5.4
109.10136	32.6
111.08043	6.7
117.06995	6.4
119.08543	76.9
121.06485	38.4
121.10121	69.9
123.08055	13.4
123.11679	14.5
125.09601	3.4
129.06981	4.8
131.08551	21.0
133.06555	3.2
133.10101	37.4
135.08025	17.2
135.11687	35.4
137.09567	6.0
137.13234	4.3
139.07542	4.1
143.08548	17.5
145.10115	50.8
147.08049	12.6
147.11690	24.2
149.09575	19.3
149.13208	30.4
151.07416	3.6
151.11137	3.5
157.10095	19.8
159.08011	29.2
159.11653	34.0
161.09593	15.8
161.13223	20.1
163.11092	4.0
163.14789	24.7
164.46849	3.2
169.10149	4.5
171.11667	22.0
173.09546	5.8
173.13222	28.7
175.11159	3.4
175.14790	26.9
177.12706	4.2
177.16351	14.8
183.11703	5.2
185.09625	4.2
185.13187	12.8
186.13542	3.5
187.11133	12.4
187.14764	23.1
189.12718	17.3
189.16356	28.7
191.14265	6.0
195.11774	3.6
199.09479	4.3
199.14809	12.9
201.12720	15.0
201.16298	7.2
203.14369	6.7
211.14825	4.9
213.16347	5.2
215.17918	12.0
217.15797	4.6
225.16370	4.9
227.14336	3.4
227.17879	3.9
229.19485	3.7
233.15253	3.1
239.17825	2.9
243.17352	37.1
251.17819	3.0
261.18481	52.3
273.18369	3.4
283.20587	4.4
307.16034	3.7
325.16840	3.4
325.21390	4.6
387.30634	3.4
405.31351	6.0
423.27933	3.5
423.32614	71.5
433.31418	3.1
438.76373	3.3
439.31149	3.4
441.33585	15.2
451.31992	17.0
469.33255	52.8
487.19803	3.8
487.34567	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Geumonoid
Peak:m/z	Relative Intensity
55.05494	15.5
57.07067	4.6
67.05483	29.5
69.07043	13.4
71.04980	6.0
79.05489	14.4
81.07059	36.1
81.07451	3.5
83.08595	5.6
85.06512	3.5
89.82081	4.0
91.05464	8.4
92.08643	9.4
93.07042	31.2
95.08597	67.5
99.04446	3.8
105.07012	25.7
107.08563	47.4
109.06528	4.8
109.10141	100.0
110.83991	3.2
111.08051	6.0
119.08557	40.2
121.10114	58.9
123.11684	6.9
131.08586	12.1
133.10118	27.6
135.08035	4.5
135.11670	54.6
137.09590	6.0
143.08539	8.5
145.10062	26.2
147.11668	19.4
149.13255	7.8
153.12712	7.0
157.10167	4.8
159.11697	20.0
161.09557	3.7
161.13249	13.8
163.09395	3.5
163.11261	4.2
163.14813	21.6
171.11664	7.5
173.13246	22.8
175.14824	21.4
187.14792	37.1
189.16393	7.6
201.16396	7.7
211.14961	4.2
215.14420	4.1
215.18126	6.0
227.17970	16.9
243.20932	13.4
350.54819	4.5
397.30740	4.0
405.31439	7.0
423.32562	8.5
425.30438	7.7
427.32477	4.3
441.33618	4.1
443.31445	54.7
451.31702	8.4
469.33090	26.1
487.34210	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2147
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.79107	0.3
51.74016	0.3
53.88106	0.4
55.01887	0.4
55.05505	6.9
57.03133	0.3
57.03421	2.8
57.07069	4.2
67.05505	0.8
67.55867	0.3
68.20465	0.4
69.03411	10.3
69.07052	6.1
70.03744	0.6
70.07376	0.7
71.04981	0.7
71.08633	0.4
75.04449	0.6
79.05471	0.9
81.03403	2.6
81.07037	2.4
82.88079	0.4
83.04960	0.6
83.08601	25.9
84.00571	0.4
84.08946	3.7
85.02889	9.0
86.03217	0.4
86.09680	0.9
87.04430	4.6
88.04774	0.4
89.03892	0.8
91.05466	0.8
91.73967	0.3
93.07018	0.9
95.04979	0.6
95.08574	0.9
97.02870	7.0
97.06512	3.5
97.10143	6.9
98.03219	0.8
98.06849	0.6
98.10477	0.8
99.04443	0.8
105.07044	0.4
107.08564	0.6
109.02900	0.7
109.06496	0.6
109.10148	0.6
110.07599	0.4
113.87720	0.4
115.03902	4.9
117.03362	2.5
119.08614	0.6
127.03889	1.5
133.02863	0.7
133.04932	3.5
134.05220	0.4
135.04407	0.5
135.08022	0.5
137.05992	0.5
139.14822	1.7
140.15117	0.5
145.02831	8.5
145.04930	0.7
145.10106	0.7
147.04332	1.3
148.78104	0.4
149.05910	0.7
157.15874	7.9
158.16225	2.0
163.03865	2.1
163.05972	0.6
164.04228	0.4
173.09598	0.4
175.14772	0.5
175.16943	3.6
176.17213	0.9
177.05417	10.2
214.81555	0.4
256.82422	0.4
259.09930	1.4
260.09967	2.1
325.10666	0.7
325.16162	2.8
335.09360	1.5
365.74283	0.5
454.64371	0.5
487.21411	100.0
488.21716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
55.05501	4.0
56.96561	1.4
57.03428	16.4
57.07066	8.8
65.03920	5.3
67.05493	75.8
69.03416	63.0
71.04977	27.3
79.05479	4.1
81.07043	5.7
83.04966	13.7
83.08614	1.2
85.06519	9.1
91.05467	4.5
93.07043	9.4
94.91418	1.1
95.04949	75.9
95.08596	5.8
105.07000	8.2
107.08582	9.4
108.19561	0.9
109.10149	2.6
113.05990	100.0
117.06993	1.6
119.08559	5.7
121.10120	5.0
131.08543	6.4
133.10091	4.8
135.11646	8.2
143.08516	4.1
145.10117	6.3
147.11757	1.7
149.13243	1.4
157.10104	1.7
157.76550	1.0
159.11636	4.5
161.13205	4.2
169.10226	1.7
171.11713	2.0
173.13196	1.4
177.09166	1.8
183.11583	1.5
185.13255	4.2
187.14780	2.4
199.14832	1.4
201.16415	1.4
205.12166	1.4
211.14737	1.6
231.13818	1.7
237.16296	1.5
243.13622	1.8
256.39990	1.2
257.15378	3.9
293.22784	7.2
321.22006	5.7
339.23126	48.8
357.24155	11.3
375.25232	9.2
464.68997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05499	1.4
57.03421	2.7
67.05486	3.5
69.03410	10.5
69.07047	4.3
71.04964	1.4
75.33034	0.6
79.05461	1.5
81.03407	5.2
81.07033	2.6
83.04999	0.9
83.08591	0.8
85.02893	11.7
86.09680	1.0
87.04445	3.0
89.03902	3.7
91.05457	4.8
93.07019	4.0
95.04955	1.4
95.08580	3.4
97.02864	7.1
97.06496	7.5
98.06852	1.6
98.97584	0.8
99.04464	0.8
105.07011	3.7
107.08584	3.5
109.02894	1.6
109.10117	1.2
111.04424	0.8
111.07999	0.8
115.03918	1.5
117.03359	17.3
117.06993	0.8
119.04892	1.1
119.08572	2.9
121.02788	1.4
121.10137	3.3
123.08037	1.1
127.03932	1.1
131.08554	1.5
131.13083	0.7
133.04948	1.1
133.10126	1.4
134.03589	1.0
135.04381	2.5
135.08012	3.3
137.05899	1.2
139.11156	0.7
139.21465	0.6
140.11528	0.8
143.08566	0.8
145.02831	52.3
145.10103	1.5
147.04404	4.5
147.08066	0.7
148.04787	1.1
149.05946	8.7
149.06990	0.9
149.09589	1.1
157.10083	0.7
157.12209	2.8
163.03865	5.8
164.04230	0.9
173.02248	1.1
173.13231	1.6
174.02643	0.8
174.13492	0.8
177.05428	64.8
191.14301	4.3
192.14642	3.3
215.06989	1.6
216.07414	1.3
237.02821	1.0
241.93007	0.7
259.09900	5.5
260.09967	4.6
321.09628	1.6
325.16214	1.3
335.09335	0.9
339.10764	3.7
347.38974	0.7
487.21405	100.0
488.21890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01867	2.4
55.05502	0.3
57.03426	3.1
59.04984	0.6
59.86487	0.2
61.02900	1.3
63.63916	0.2
67.05481	0.4
68.35896	0.2
69.03413	14.3
69.07051	1.0
69.93800	0.2
71.01337	0.6
71.04971	4.2
73.02899	0.5
77.23211	0.3
80.75944	0.3
81.02928	0.5
81.03397	14.7
81.07025	1.4
83.08553	0.3
85.02895	3.9
85.06525	0.3
86.09682	0.5
87.04456	1.2
91.05444	0.5
92.08711	0.6
92.09267	0.5
95.04919	0.3
95.08579	1.3
97.02855	2.3
99.04431	4.9
99.08144	0.3
109.02837	0.3
109.10105	0.2
115.03870	0.5
117.05468	1.3
118.06490	2.4
120.08007	0.3
121.10105	0.6
123.04376	0.6
126.09122	6.8
127.03849	0.4
139.11183	0.7
145.02844	0.5
145.07596	4.8
147.09129	6.2
157.12199	1.5
162.07849	1.1
163.08618	1.3
173.07072	10.5
175.08641	5.9
177.05391	0.3
191.08113	100.0
192.08543	0.5
193.00516	0.3
205.09708	0.4
206.59074	0.3
233.09158	1.4
253.51204	0.3
276.54279	0.3
289.11755	2.1
307.12827	17.4
325.13867	47.0
404.73291	0.3
429.97763	0.3
442.02884	0.3
467.13901	0.3
492.80365	0.4
497.28671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.91489	0.2
54.91415	0.2
55.01867	0.3
55.05502	0.5
57.03441	0.4
58.97967	0.3
59.04987	0.3
60.15368	0.2
61.02915	0.3
63.02373	0.3
67.05502	1.3
69.01385	0.2
69.03417	3.8
69.07062	0.5
69.46613	0.2
70.06579	0.4
71.04998	1.1
79.05499	1.2
81.03400	4.1
81.07043	1.4
83.04974	0.4
85.02881	4.2
86.09722	0.5
87.28302	0.3
89.03902	6.3
91.05468	1.3
93.07010	0.6
95.04970	0.7
95.08598	1.4
97.02895	2.2
97.06513	2.9
105.07011	0.5
107.08548	0.4
109.02875	1.6
109.06530	0.3
109.10149	0.3
111.04413	0.5
113.05991	1.5
115.03946	0.4
117.03361	24.4
119.08596	1.3
121.06555	0.4
123.08063	0.3
127.03914	1.5
133.10080	0.6
134.03601	0.7
135.04378	2.2
137.34648	0.3
145.02832	69.3
145.10077	0.3
146.03165	0.5
147.04411	0.7
147.11679	0.4
149.05971	9.7
149.07037	0.7
163.03874	3.4
175.14761	1.2
177.05435	100.0
195.06544	1.2
213.26100	0.3
215.06944	0.4
259.09494	1.6
260.09976	1.3
321.09653	3.6
339.10669	6.7
340.64401	0.3
406.67117	0.3
420.67938	0.3
487.21082	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	487.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.2
67.52605	0.9
67.57975	0.9
69.03411	4.4
69.07044	1.5
70.93149	0.9
71.04971	1.1
78.94716	0.9
79.05460	2.1
81.07037	4.3
83.04991	1.2
85.02888	5.2
87.04435	1.6
92.09266	2.3
95.01068	2.0
96.01832	1.2
97.02881	1.4
97.06516	13.2
98.06818	2.5
111.08060	2.2
113.02068	2.0
127.03944	1.3
127.07497	1.3
135.04367	1.8
139.07529	1.7
145.02805	1.2
157.08614	5.6
158.08975	1.3
161.01231	1.0
163.03885	9.3
175.09651	6.0
185.04208	7.9
201.03833	1.4
203.05161	1.6
205.04675	19.2
237.02972	1.4
250.08044	16.8
259.07916	4.5
293.09866	1.9
383.13135	1.7
487.17740	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	487.1442
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
55.01841	0.2
55.05494	0.4
56.96548	0.4
57.03416	0.8
59.04977	0.4
66.91594	0.1
67.05476	0.7
69.03414	2.2
69.07042	1.1
70.03732	0.2
70.06577	0.4
71.04958	1.0
71.59126	0.2
72.08128	0.8
73.02881	0.4
79.05457	0.7
81.03392	0.4
81.07051	1.4
83.04948	1.1
83.08604	0.3
84.96024	0.4
85.02883	2.8
85.06519	1.0
86.09687	0.8
87.04444	1.1
88.04780	0.2
89.03895	0.2
91.05461	0.3
92.09242	0.2
93.07024	0.8
95.04954	0.3
95.08584	0.9
97.02876	1.8
97.06506	0.6
98.97554	1.6
99.04434	0.3
99.08089	1.5
101.05981	0.4
102.91169	0.2
103.03950	0.2
105.06989	0.4
109.06480	0.2
109.10130	0.3
111.08018	0.2
113.09648	0.3
115.03914	0.9
115.07500	0.2
116.07044	0.3
116.98594	0.9
117.03345	0.2
119.04910	1.2
121.10129	0.7
122.03635	0.3
123.04440	0.2
127.03875	0.8
128.98578	0.3
131.00130	0.2
133.02827	14.5
133.04951	0.3
133.06432	0.3
134.99698	0.3
135.04350	0.3
137.05966	3.3
139.11137	1.1
140.11511	0.7
143.00148	0.2
143.11813	0.2
145.04965	0.2
146.99644	0.3
147.04376	4.0
147.05446	0.2
149.05957	1.6
157.12212	1.8
158.12549	0.7
158.99599	0.3
161.01160	0.8
161.05878	0.3
163.03860	1.0
165.05417	2.6
175.13312	0.4
177.00648	0.7
178.02573	8.0
189.00659	0.3
193.04932	100.0
219.01758	0.9
237.02777	1.3
271.18628	0.2
302.47073	0.2
355.10217	1.1
427.09021	1.4
445.09445	0.2
450.09235	0.2
461.25067	0.2
487.13388	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	486.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	22.9
55.88996	1.5
57.03424	1.8
57.07063	10.8
59.04969	2.4
67.05137	3.0
67.05489	75.5
69.07053	30.0
71.04961	6.8
73.06517	3.3
74.67871	1.5
79.05470	24.1
81.07037	100.0
83.08614	24.4
85.06531	3.9
85.18865	1.6
87.04458	17.0
91.05460	15.3
93.07029	39.9
95.04928	2.4
95.08589	95.4
97.06512	3.4
97.10147	9.9
99.08047	1.7
105.07005	15.5
107.08593	23.6
109.10150	37.9
111.08060	2.0
111.11695	1.7
117.06959	1.7
119.08566	16.4
121.10119	21.5
123.08005	2.2
123.11695	15.5
125.09570	2.5
131.08505	10.1
133.10104	13.0
135.08032	2.8
135.11681	15.4
136.95810	1.8
137.09633	1.6
137.13225	14.4
139.11150	3.0
145.10074	8.9
147.11652	11.8
148.05109	1.9
149.09555	2.5
149.13252	7.2
151.11104	1.7
155.14246	6.5
159.11659	6.1
161.13231	8.8
162.13577	1.7
163.11200	2.4
163.14864	2.3
173.11726	3.7
173.13179	3.7
173.15297	3.0
177.12839	1.7
187.14752	3.3
205.15755	1.8
209.15150	1.6
243.21024	7.5
261.22147	20.8
273.81989	1.8
279.23148	48.1
297.24133	20.0
310.24518	1.6
312.82520	1.7
327.25226	2.2
363.51602	1.5
486.47910	1.7
511.15021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.6
57.07061	5.9
57.91183	0.5
61.02909	0.8
63.76401	0.6
63.79605	0.6
67.05487	1.0
69.03422	6.7
69.07053	22.2
69.07404	1.2
71.04975	84.4
71.08611	3.0
73.06548	0.7
79.05461	1.1
81.07050	1.4
83.08607	8.7
85.02895	9.1
85.06529	4.0
87.00827	4.1
87.04469	2.5
91.05511	0.6
93.07018	5.5
97.02866	6.2
97.06508	33.2
99.04428	0.7
109.02863	0.6
109.06510	2.3
111.08056	16.7
113.05976	6.3
114.15043	0.5
115.03865	1.0
115.07542	12.7
127.03830	0.7
127.07537	12.0
131.07016	100.0
139.07509	18.4
139.08490	1.1
145.04964	0.9
145.08620	7.5
157.08582	19.8
175.09616	85.6
184.24525	0.7
307.50745	0.6
337.14874	4.9
348.52737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06864	0.7
54.81887	0.7
55.05503	16.5
57.03429	1.5
57.07059	3.4
59.04992	6.5
65.03925	0.9
67.05489	100.0
68.24509	0.8
69.07051	15.4
70.63596	0.7
71.04967	3.3
74.50438	0.7
76.69833	0.9
76.91445	0.7
79.05472	10.5
81.07036	44.5
83.04964	1.4
83.08604	10.8
85.06533	5.2
91.05457	13.0
93.07012	16.4
95.08585	32.0
97.06564	1.4
97.10119	1.5
99.08075	1.0
105.07002	7.2
107.08557	11.6
109.06538	0.8
109.10137	75.6
111.08046	3.3
117.07004	1.8
119.08543	10.0
121.10096	11.3
123.11659	5.9
125.09604	1.1
131.08551	4.7
133.10115	4.9
135.08075	0.8
135.11678	7.4
137.09602	1.6
137.13252	1.3
145.10133	3.8
147.11620	5.4
149.13261	1.8
151.11163	1.6
155.10667	3.1
159.11707	3.8
161.13252	3.8
163.14838	0.9
165.12646	1.2
173.11703	29.8
173.13174	2.9
185.89958	0.8
187.14748	1.6
189.16327	0.8
228.14224	0.8
243.21065	4.4
261.22070	9.3
279.23135	15.3
297.24130	10.7
313.23532	1.1
314.16916	0.8
397.31064	1.4
415.31790	5.4
433.32968	13.5
451.33951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.7
53.03926	0.6
54.07752	0.4
54.53486	0.4
55.01857	2.1
55.05499	3.5
56.96566	0.5
57.03425	12.0
57.07080	0.5
59.04977	1.0
61.02894	0.5
64.09779	0.5
67.05476	3.2
69.03413	30.7
69.07052	3.5
70.06525	0.4
71.01346	0.5
71.04971	4.5
72.08138	1.0
73.02883	3.1
75.04454	2.1
79.05457	3.0
80.05769	0.5
81.03387	3.0
81.06599	0.7
81.07037	15.7
83.04953	2.3
83.08603	3.8
85.02885	29.3
85.06512	2.5
87.04443	15.4
91.05461	2.7
93.07020	6.3
94.06521	3.1
95.04922	2.4
95.08583	4.1
97.02869	17.8
97.06492	5.7
98.97562	2.4
99.04423	3.7
99.08063	5.9
101.05979	0.6
105.07046	1.0
107.08562	1.0
109.02846	1.9
109.06512	2.0
109.10131	5.0
111.04390	0.5
111.08031	2.9
113.09617	0.7
115.03902	9.0
115.07514	0.7
116.98582	1.0
117.05569	0.6
118.06491	4.0
119.04980	0.5
121.10102	6.5
122.05991	3.6
123.08051	0.6
125.05943	0.5
127.03884	3.6
127.07533	4.5
129.97868	0.5
133.04951	6.2
133.10106	1.0
135.11688	0.6
137.05978	0.8
137.09628	0.7
139.11134	10.1
145.04977	0.9
145.08559	2.4
146.05988	15.0
147.11830	0.6
149.05989	0.9
150.05434	0.6
155.10617	3.1
156.10921	1.9
157.12215	20.9
162.05461	1.0
164.07018	3.1
167.14227	0.8
173.08072	0.8
173.11794	0.6
173.13219	0.5
174.05463	100.0
175.06113	0.8
175.13297	2.2
176.60130	0.5
177.00742	0.5
192.06509	43.1
193.04959	4.7
237.02896	0.7
249.02771	0.6
253.14293	0.6
265.11029	1.1
289.10965	1.9
307.12115	0.6
336.10614	0.6
347.11462	0.5
354.11722	69.7
480.84067	0.5
485.15973	0.9
486.15881	11.6
486.22202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55393	1.6
55.05500	3.2
57.07068	3.1
61.01135	1.8
69.07047	11.7
70.06590	2.8
72.25894	1.7
81.07004	1.9
88.07664	2.3
88.15720	1.8
90.21733	1.6
119.08560	21.4
126.12300	1.9
132.40585	2.1
135.08023	29.5
166.67006	2.0
177.09102	19.7
179.10677	4.3
283.26227	2.3
311.29691	2.6
408.15845	2.0
478.59103	2.3
484.47253	4.3
485.35962	100.0
485.47253	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	485.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48283	1.6
59.21733	1.8
72.11646	2.0
75.70000	1.7
77.73801	1.8
79.82566	2.0
92.09007	22.2
104.11679	2.0
111.64883	1.8
113.13594	1.8
140.64613	1.9
279.93533	2.3
285.22470	1.9
290.40179	2.1
401.08435	2.6
445.70462	2.2
484.47321	2.7
485.35941	100.0
485.46796	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	485.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
57.03428	1.5
57.07067	12.9
67.05489	7.7
67.34222	0.5
69.07060	4.1
69.27146	0.6
71.08614	5.0
76.13607	0.5
79.05467	1.1
81.07030	10.3
82.07327	0.6
82.49226	0.6
83.08601	1.4
83.31790	0.6
85.10189	2.8
88.07591	1.1
91.05464	2.7
93.07034	5.4
95.04980	0.7
95.08581	18.4
97.10149	3.4
98.98427	5.7
105.07036	5.3
107.08572	7.6
109.10136	15.0
110.10495	1.3
119.08564	7.7
120.08883	0.7
121.10104	5.9
122.10497	1.0
123.11726	1.6
131.08568	0.7
133.10101	5.1
135.08063	0.7
135.11694	4.9
137.13176	2.4
147.11713	3.9
149.02402	1.4
149.13280	2.9
155.01054	1.1
157.10196	0.9
159.11679	1.3
161.13232	2.3
173.13205	0.9
175.14830	3.3
183.07857	0.7
184.90314	0.6
185.13177	0.9
187.14742	1.0
189.16385	2.8
191.17992	2.7
200.20038	1.0
203.17897	1.2
204.18262	0.7
220.10406	0.7
249.14902	1.1
313.27298	18.7
411.47015	0.7
421.31168	1.2
423.32806	0.7
425.37943	1.3
426.38232	3.0
439.32306	1.0
462.58728	0.9
467.31714	2.7
484.47217	3.0
485.35989	100.0
486.36444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.9
57.07069	5.3
59.04966	5.0
63.20914	3.0
67.05492	25.7
69.03423	3.1
69.07050	24.8
71.04985	3.1
79.05475	22.2
81.07042	54.8
83.04978	3.5
83.08617	14.0
85.06545	4.4
91.05444	20.3
93.07024	46.9
95.04965	12.9
95.08571	51.4
97.10135	3.7
99.08045	3.1
105.07014	56.8
107.08578	88.0
109.06535	6.4
109.10132	32.0
111.08067	66.4
113.05983	2.8
117.06978	4.1
119.08545	76.6
121.10120	48.8
123.08068	23.1
123.11709	14.2
123.93807	2.8
125.09618	6.4
129.06975	6.4
131.08537	25.7
133.10106	52.3
135.08031	4.9
135.11667	30.9
137.09586	11.5
143.08545	26.9
145.10112	36.7
147.11671	45.5
149.09654	5.0
149.13269	11.4
151.11148	3.9
153.09042	4.9
155.08626	8.6
156.09253	6.4
157.10126	40.7
159.04173	4.9
159.11691	27.2
161.13216	22.1
163.14763	27.0
169.10130	11.8
171.11630	21.8
173.09665	3.8
173.13232	18.8
175.14783	26.1
183.11667	4.8
185.09683	3.4
185.13239	29.4
187.14807	15.3
189.12767	3.4
189.16365	100.0
197.13295	11.9
199.14787	26.5
201.16389	15.8
203.14299	13.2
207.17416	3.7
211.14821	6.3
213.16437	5.0
215.14304	3.2
225.16406	4.3
227.17859	13.2
233.18985	5.1
237.16307	3.5
239.18025	5.1
241.19194	3.7
245.19040	6.9
267.20996	23.4
308.11343	4.5
313.21558	11.8
328.18710	5.0
345.24161	79.2
435.32379	14.6
439.32059	13.6
467.31073	11.9
485.31567	49.8
485.36194	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	485.3256
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
52.78271	1.8
54.81744	2.3
54.98138	1.9
55.05484	4.9
59.64850	2.6
61.17197	2.3
67.05469	12.1
69.03400	4.4
69.07047	5.9
79.05468	9.2
81.07025	15.6
83.04919	3.6
84.66470	2.0
91.05441	9.4
92.08673	3.0
92.09165	8.0
93.07035	17.0
95.04929	3.7
95.08588	25.8
105.07018	20.6
107.08585	32.2
109.10129	10.4
119.08553	30.8
121.10128	23.8
123.11665	2.6
131.08548	11.1
133.10124	19.1
134.85014	2.3
135.07994	3.7
135.11652	12.6
143.08510	5.5
145.10101	18.3
147.11690	4.8
149.09607	3.1
149.13248	3.5
155.08591	3.5
157.10123	12.9
159.11617	13.0
161.09581	2.6
163.11053	4.1
163.14746	3.1
169.10178	2.9
171.11606	4.9
173.13248	14.9
175.14781	12.0
183.11484	3.5
185.13257	5.2
187.14851	4.5
189.16385	4.7
197.13411	4.0
199.11220	2.4
199.14697	3.0
201.12637	3.3
201.16364	4.2
209.13448	2.4
211.14951	3.7
213.12701	3.4
213.16203	3.3
219.13791	4.0
220.66551	2.6
279.20871	2.7
325.21344	3.3
421.30951	8.3
439.32355	4.3
449.30142	3.1
467.31522	100.0
485.32654	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.326
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05512	15.3
57.03419	25.4
57.07051	5.6
63.55743	5.4
67.05490	100.0
69.03410	47.0
69.07053	14.9
71.04971	23.8
79.05482	13.5
81.07046	51.5
83.04946	8.4
85.06490	7.1
91.05460	15.0
93.07021	43.4
95.04962	61.4
95.08576	85.2
97.06455	9.3
98.97562	8.2
99.19172	5.6
105.07005	52.5
107.08556	68.7
109.10142	42.1
113.05980	71.1
117.07026	7.9
119.08542	89.6
121.06508	9.6
121.10119	61.8
123.07975	8.6
123.11686	9.7
129.06934	9.4
131.08534	42.4
133.10098	53.4
135.11682	34.8
137.09596	8.0
141.07086	8.5
143.08568	51.9
145.10121	57.3
146.70235	6.5
147.08000	7.5
147.11710	34.0
149.09665	11.3
149.13235	8.3
155.08533	8.5
157.10059	33.8
159.11642	45.1
161.13235	28.0
165.12758	49.6
169.10101	31.5
169.79137	6.7
171.11624	25.7
173.09540	8.5
173.13214	26.0
175.14807	12.1
177.16324	8.3
183.11668	15.5
185.13208	15.9
187.14828	15.3
189.16324	8.3
195.11679	12.4
197.13272	9.6
199.14777	12.6
201.16388	10.1
209.13327	9.1
213.16273	13.9
215.17918	11.9
221.25140	6.5
223.15001	6.7
225.16292	10.7
227.17868	9.4
237.16434	12.9
239.17908	35.3
253.19536	11.3
295.20572	27.0
325.21597	9.0
342.89462	7.5
377.06854	7.1
391.29532	12.3
409.30859	64.7
421.19269	9.3
421.30750	11.0
437.30640	9.7
439.31976	12.8
449.30484	11.8
455.31470	61.1
463.19922	9.5
467.31241	37.1
485.32904	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
56.96540	8.7
57.07062	9.7
65.33226	9.1
67.05488	95.7
69.03420	68.2
69.07069	15.9
71.04971	33.8
79.05483	14.4
81.07045	35.7
83.04974	13.1
83.08573	10.5
83.87576	7.7
88.32023	9.1
91.05471	15.0
93.07030	45.2
95.04942	89.5
95.08583	47.8
96.05304	13.5
97.10180	10.1
105.07040	54.9
107.08554	63.8
109.10153	17.3
113.05977	100.0
117.06962	9.6
119.08530	87.2
121.10132	50.9
121.31509	9.6
123.11732	11.3
131.08543	21.4
133.10147	39.9
135.08052	9.5
135.11688	39.6
142.07700	9.4
143.08534	19.6
145.10115	41.6
147.08014	8.0
147.11678	34.3
149.13200	10.9
156.09250	11.1
157.10104	13.3
159.11678	35.3
161.13252	13.9
163.14767	11.6
168.79944	10.5
169.10127	18.2
171.11710	15.5
173.13196	34.3
175.14830	11.3
185.13306	10.1
187.11189	10.3
187.14839	17.9
199.14786	15.0
213.16518	10.8
215.18021	12.2
227.17946	11.3
229.15688	11.7
249.37933	8.1
421.30884	20.5
439.31891	16.7
449.30600	17.7
467.31534	19.1
485.32785	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.326
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
56.46092	1.9
57.07064	3.1
58.94746	2.0
67.05127	2.0
69.07034	17.0
81.07025	5.2
88.07632	3.2
92.08856	10.5
92.09389	2.5
93.07001	3.6
97.98589	2.2
105.07033	2.4
107.08552	4.3
109.10157	4.1
121.06449	8.3
123.11679	19.3
131.32104	2.4
135.04340	3.5
135.08064	13.3
135.11684	5.1
147.08069	3.9
151.03891	4.7
157.06471	2.9
161.05981	14.2
163.03859	31.0
175.07535	20.2
177.05348	3.3
181.04884	20.5
185.05910	2.7
187.07265	2.5
187.60304	2.2
187.75423	2.3
191.07008	3.9
203.07016	100.0
219.10126	59.3
221.08032	49.7
259.13239	3.2
260.60620	2.5
275.16309	9.4
277.14270	23.6
285.14825	9.7
341.20969	20.9
343.18964	38.5
345.20636	3.1
399.25189	2.5
485.35986	4.6
485.47357	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	485.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68409	1.5
53.00294	2.2
54.42805	1.3
55.05507	7.4
55.14566	1.4
57.03428	18.2
57.07062	12.0
60.65465	1.6
63.02818	1.9
65.03931	7.5
67.05489	65.5
69.03066	3.0
69.03414	55.8
69.07036	2.6
70.98161	1.7
71.04969	31.1
72.31434	1.6
73.61837	1.5
79.05473	1.9
80.73257	1.5
81.07050	7.2
83.04974	11.2
85.06522	8.1
91.05483	3.5
92.29132	1.7
93.07031	3.9
95.04947	87.6
95.08586	10.0
105.07029	7.4
107.08572	10.3
109.10089	3.5
111.73406	1.6
113.05986	100.0
119.08542	12.3
121.10097	7.4
125.05959	8.4
131.08522	2.9
133.10121	4.0
135.11597	3.1
143.08481	2.7
145.10150	3.6
153.05431	3.2
155.08546	3.0
157.10069	4.3
159.11652	6.6
171.11592	2.1
173.13261	3.6
174.76881	1.9
175.14822	2.3
183.11586	1.7
185.13290	2.0
187.14735	2.5
201.16357	3.4
225.16418	2.3
300.07050	1.9
355.22571	3.6
367.08319	1.9
373.23740	2.4
418.87085	2.1
467.31207	2.2
485.32532	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32754	0.5
53.00292	1.5
53.03921	1.3
55.01867	1.0
55.05489	1.3
56.96546	2.8
57.03428	18.6
57.07064	9.3
62.47252	0.5
62.61481	0.6
65.03918	6.5
67.05492	70.9
69.03416	61.3
71.04976	31.9
72.45856	0.5
79.05460	1.3
81.07023	2.7
83.04967	10.9
85.02899	0.7
85.06519	9.1
88.99049	0.6
91.05461	1.5
92.09126	1.1
93.07018	2.6
95.04946	75.7
95.08584	1.5
105.07010	3.9
107.08585	1.3
109.10129	0.8
111.04424	1.4
113.05988	100.0
119.08541	3.0
121.10154	0.7
131.08498	1.4
133.10107	1.4
143.00153	3.0
145.10075	2.5
147.11678	0.8
152.30211	0.6
159.11620	0.7
161.01183	1.3
161.13193	1.1
172.23802	0.7
185.13223	0.7
196.55466	0.7
294.66724	0.7
297.54254	0.7
348.59445	0.8
373.23697	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	485.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01868	1.4
55.05497	1.2
56.96548	3.6
57.03173	0.9
57.03431	17.0
57.07062	9.4
65.03933	6.5
67.05495	66.4
69.03418	56.1
71.04976	24.8
79.05447	0.5
81.07029	2.4
83.04968	13.2
84.26781	0.5
85.02844	0.5
85.06538	9.9
91.05450	1.3
92.86929	0.6
93.07021	2.1
95.04950	69.1
95.08599	1.4
105.06997	2.7
107.08575	2.5
111.04431	4.1
113.05991	100.0
114.36822	0.7
114.50216	0.6
119.08540	2.3
121.10072	0.9
131.08527	1.2
133.10104	0.7
143.00124	3.7
145.10133	0.7
158.58994	0.6
159.11707	1.1
161.01225	2.2
169.01683	0.9
175.14822	0.7
264.99246	0.6
337.21387	1.1
373.23691	17.0
429.47241	0.7
508.00671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68946	0.5
53.00294	1.0
53.03923	0.6
55.01852	2.3
55.05505	1.4
56.69484	0.5
57.03174	0.8
57.03430	15.6
57.07061	9.8
57.65556	0.5
65.03927	5.3
66.45169	0.5
66.74741	0.6
67.05492	66.3
69.03413	58.8
71.04975	26.5
79.05476	3.4
81.07036	3.6
83.04963	11.7
85.06526	7.4
91.05480	1.0
93.07027	2.5
95.04943	75.1
95.08626	0.7
105.07024	3.3
105.54168	0.6
107.08562	1.4
109.06546	0.7
109.10132	0.7
113.05987	100.0
119.08562	2.7
121.10148	1.1
125.05946	4.6
131.08568	1.3
132.95758	0.6
133.10112	2.5
133.40932	0.6
143.08536	1.0
145.10098	2.7
147.11685	1.0
153.05463	2.9
155.07063	0.9
157.10146	0.6
159.11681	2.2
161.13228	0.7
173.13234	0.8
175.14809	0.8
175.54782	0.5
185.13150	0.8
187.14832	0.9
189.16275	0.6
201.16360	1.2
209.13326	0.7
247.13905	0.6
337.21625	4.3
355.22577	7.6
373.23587	9.6
411.15341	0.6
463.33078	0.6
472.55475	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	485.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.8
53.62407	0.5
54.08298	0.6
55.01865	1.1
55.05498	3.7
56.96554	2.8
57.03428	15.7
57.07065	9.3
65.03925	3.9
66.35484	0.5
67.05492	77.5
69.03416	62.8
69.07056	1.1
71.04975	27.8
79.05471	1.3
79.35763	0.6
81.07031	4.8
83.04964	10.7
83.08604	2.2
85.06534	8.8
91.05456	2.6
92.08663	2.7
93.07029	3.6
95.04945	75.1
95.08603	5.4
105.06995	5.5
107.08547	6.3
109.06545	0.9
109.10128	3.7
113.05988	100.0
117.07040	1.1
119.08564	5.0
121.10085	4.4
129.06960	1.2
131.08557	2.5
133.10115	3.8
135.11697	1.3
141.06923	0.7
143.00131	3.2
143.08548	3.2
145.10095	4.0
147.11642	0.9
157.10127	1.4
159.11688	3.1
161.01189	4.6
161.13237	3.1
169.10046	1.0
171.11742	1.0
173.13284	0.9
175.07527	0.8
175.14792	2.3
177.16417	0.8
179.07004	4.7
183.11772	0.7
195.11868	0.7
199.14804	0.7
201.16383	0.7
223.61206	0.7
255.13676	0.7
337.21573	1.0
367.34650	0.7
373.23685	20.3
375.82260	0.6
464.25055	5.3
464.75006	3.5
465.25388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.4
53.03934	0.6
55.01852	2.2
55.05501	2.7
56.96553	0.8
57.03429	17.1
57.06807	0.5
57.07069	9.2
65.03931	6.4
67.05495	75.9
68.05809	0.4
69.03418	63.3
69.07053	1.9
70.01347	0.3
71.04977	30.5
75.94971	0.4
79.05479	4.1
81.07047	4.1
83.04967	14.2
83.08595	0.9
85.06538	9.7
91.05460	4.7
92.96631	0.4
93.07036	5.0
95.04951	74.6
95.08604	4.9
97.06511	0.8
98.73530	0.4
105.07020	5.1
107.04961	0.5
107.08588	5.9
109.06503	2.5
109.10140	1.9
113.05991	100.0
117.07005	0.8
119.08553	5.5
121.06477	0.6
121.10133	3.9
123.11682	0.5
125.05967	8.9
128.06200	0.5
129.06946	0.8
131.08549	3.2
133.10106	4.5
135.11655	2.4
143.08545	2.7
145.10114	5.2
147.11685	2.4
149.13351	0.6
153.05450	6.4
155.07005	1.5
155.08492	0.6
157.10112	2.1
159.08104	0.5
159.11655	3.7
161.01251	0.8
161.13251	2.0
163.14796	0.5
165.12700	0.5
169.10127	0.8
171.11641	2.2
173.13228	2.2
175.14815	1.5
183.11630	0.9
185.13269	1.6
185.86096	0.4
187.10962	0.5
187.14838	1.5
189.16327	1.9
195.11734	0.9
197.13219	1.7
199.11073	0.5
199.14836	1.7
201.16373	3.9
209.13235	0.5
211.14771	0.9
213.16344	0.7
215.17909	1.5
219.96114	0.4
224.53641	0.5
225.12810	0.5
235.14735	0.6
243.13728	0.6
253.19478	0.6
277.19464	0.7
281.18887	0.4
285.37573	0.4
291.20908	0.5
337.21509	5.3
355.22610	9.4
373.23669	8.2
403.17810	0.6
403.29922	0.5
409.18710	0.4
421.18817	0.9
439.31879	0.6
467.31967	1.3
485.32892	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	485.2873
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.00293	1.1
55.05504	7.2
57.03429	17.0
57.07067	48.2
61.64260	0.4
62.88000	0.5
67.05492	7.9
69.07056	9.0
70.06556	0.6
71.08614	29.7
79.05462	1.8
81.07036	13.9
83.04967	0.7
83.08602	8.2
85.06525	0.5
85.10166	15.6
89.06015	2.1
89.21221	0.5
92.38740	0.5
93.07008	2.5
95.08581	17.5
97.06472	0.8
97.10142	4.0
98.98454	8.5
99.08054	0.6
103.07558	1.2
105.07008	2.2
107.08574	3.6
108.82274	0.5
109.10158	6.3
111.11661	0.7
117.09098	0.5
119.08555	2.1
121.10087	2.6
123.11637	3.6
131.08580	0.5
133.10117	0.9
135.11656	0.9
137.13228	0.8
145.10097	0.6
147.11720	0.6
149.13191	0.6
155.00998	3.7
161.13286	0.6
173.13231	0.6
189.16313	0.9
192.66763	0.5
217.15936	0.5
228.23177	0.5
239.23650	0.7
257.24673	2.2
283.26392	0.9
313.27307	100.0
314.27719	0.8
396.48322	0.6
421.30786	0.8
439.31689	0.7
449.26135	1.0
467.31726	0.7
484.27103	1.1
484.46988	2.4
485.27805	3.1
485.33749	0.8
485.47382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	1.1
55.05495	7.4
57.03428	11.7
57.07065	56.7
67.05482	9.3
69.07050	11.0
71.08612	28.0
79.05470	2.1
81.07035	16.7
83.08600	8.9
85.10155	16.6
88.07614	1.9
88.88870	1.5
89.05998	1.9
90.23576	1.5
91.05447	1.5
92.09379	1.8
93.07060	4.8
95.08589	24.4
97.10138	1.8
98.98445	43.1
105.07011	5.1
107.08558	5.5
109.10149	8.9
111.08080	1.5
113.31619	1.3
116.99466	1.5
119.08554	7.4
121.10102	8.4
123.11686	2.0
133.10121	4.9
135.11646	1.9
143.08531	2.0
148.73157	1.2
152.96071	1.3
155.01010	14.9
159.11536	1.6
161.28035	1.4
168.09451	1.4
173.02077	1.7
173.13257	1.4
187.14827	1.4
200.20045	3.0
226.02090	1.4
228.23204	2.4
283.26306	1.7
311.29282	1.5
313.27298	100.0
381.68890	1.4
393.23892	2.0
406.05319	1.4
449.26401	8.1
467.31201	1.4
484.47079	6.6
485.31931	2.0
485.36227	1.7
485.47409	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	485.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
55.84561	0.6
56.04049	0.6
63.95277	0.6
64.32898	0.7
67.05488	1.4
69.07053	3.8
71.04974	0.8
71.08643	0.7
79.05482	2.9
81.07036	5.6
83.08601	1.6
91.05442	3.0
93.07028	5.4
95.04962	1.0
95.08585	8.6
100.57186	0.8
102.49867	0.7
105.07010	7.0
107.08585	7.8
109.10137	1.8
119.08582	8.5
121.10133	5.2
123.07935	0.7
123.11647	1.0
129.06987	0.7
131.08511	4.6
133.10123	6.0
135.08040	0.9
135.11681	3.1
142.07759	0.7
143.08551	1.1
145.10062	5.6
147.08009	0.9
147.11664	3.6
149.13219	1.1
157.10054	1.3
159.11633	4.2
161.13168	1.5
163.07552	0.9
163.14760	1.1
168.09375	1.1
171.11670	0.9
173.13216	4.4
175.14792	3.0
183.11609	3.8
185.13252	1.1
187.03633	9.1
187.14636	2.1
189.16339	3.2
197.13269	1.0
201.12743	5.5
201.16353	0.9
203.14304	3.1
204.97884	1.0
211.14740	0.9
213.16428	1.1
215.17896	0.9
223.64764	0.8
228.22995	0.9
233.15404	1.1
247.13286	1.0
285.18558	0.9
317.18002	0.8
321.23959	10.7
421.31042	1.3
439.31989	6.2
449.30737	1.2
467.31494	8.3
485.28494	100.0
486.28604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2507
Annotation	Arg Tyr Phe
Peak:m/z	Relative Intensity
51.28949	0.5
53.51839	0.5
57.98585	0.5
62.37297	0.5
67.05499	0.9
69.07069	0.7
79.05470	0.8
81.07046	1.4
83.08611	1.0
92.08852	3.1
93.07026	1.5
95.08606	2.3
99.57664	0.8
105.07036	1.5
107.08571	3.5
109.10146	1.4
119.08568	3.6
121.10107	2.4
133.10143	0.9
135.11777	1.0
145.10103	1.3
147.11703	1.4
149.13177	0.6
166.17041	0.7
175.14833	1.0
185.13206	0.7
185.67570	0.7
187.14732	1.1
197.34328	0.8
217.04663	4.5
239.42769	0.7
272.20627	0.7
291.19244	11.4
327.65799	0.7
421.31021	1.0
439.31818	0.8
467.31558	1.2
485.25037	100.0
485.36612	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	485.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01745	0.7
53.00263	0.7
53.03933	1.5
55.01868	0.9
55.05501	6.5
56.96549	3.9
57.03420	7.1
57.07056	1.4
59.04992	1.5
61.02898	1.2
65.16429	0.7
67.05491	28.3
68.05846	1.3
69.03072	0.9
69.03419	17.9
69.07054	11.3
71.04975	40.4
71.08617	4.5
73.02897	3.4
79.05479	4.0
79.91272	0.7
81.03404	1.0
81.07038	83.9
82.03371	0.7
83.08614	4.2
85.02889	14.4
85.06530	36.1
87.04456	6.7
91.05471	3.3
92.05819	1.1
93.07040	6.2
95.04928	1.3
95.08586	100.0
96.08910	1.7
97.02865	16.5
97.06540	1.9
97.10154	0.9
98.97546	1.7
99.04401	1.2
99.08063	7.1
105.07038	1.2
107.08573	1.7
109.10149	17.0
110.10483	3.1
111.04431	1.1
111.08082	1.5
113.09647	1.2
114.05498	7.4
115.03889	7.2
116.98562	1.2
119.04917	1.2
119.08562	4.9
120.08119	2.5
120.08885	1.9
122.05963	1.3
123.08052	0.8
124.07562	4.8
125.09764	0.9
127.03901	1.7
127.11182	1.6
129.09059	1.0
133.04970	1.7
137.05966	1.8
137.09586	10.7
137.13237	16.8
138.05489	4.7
138.09972	3.4
140.07085	1.8
145.04948	1.4
149.01242	0.9
151.03885	1.6
155.10681	14.6
155.14285	75.1
156.06540	1.0
156.11028	6.4
164.07062	3.3
164.10649	7.3
164.68526	0.8
173.11703	15.8
173.15341	29.6
174.12029	5.1
182.08096	3.6
191.16382	37.2
192.10155	9.1
194.11830	0.9
214.12332	1.3
219.01779	1.3
241.13295	3.6
242.11757	1.9
259.14420	3.9
269.12769	4.1
270.11230	1.1
287.13864	15.5
288.12299	3.1
299.04385	1.2
305.14911	12.1
323.15887	15.0
324.91849	0.9
352.17917	1.1
353.21707	1.2
425.07367	1.9
449.18564	0.9
467.19995	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	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.7
53.03925	1.7
55.01862	1.6
55.05508	6.9
57.03427	7.4
57.07066	1.6
59.04972	1.5
61.02910	1.1
63.09090	0.7
67.05488	10.2
69.03413	50.7
69.07053	29.5
71.04964	4.9
73.02879	1.2
79.05483	8.3
81.03398	7.0
81.07040	15.5
83.04961	9.0
83.08602	4.0
85.02885	22.6
85.06515	4.7
87.04452	4.1
91.05463	10.9
93.07025	10.8
95.04937	3.3
95.08589	17.1
97.02864	24.7
97.06499	4.8
99.04400	1.4
99.08079	1.3
100.90476	0.7
105.07001	12.2
107.04916	1.0
107.08577	28.0
109.02868	3.4
109.06497	5.0
109.10126	4.0
111.08065	11.7
113.09600	1.0
114.09147	0.9
115.03917	8.3
116.06229	0.8
117.07013	3.3
119.08559	14.7
121.06466	5.8
121.10115	18.3
123.08039	12.8
127.03889	4.9
129.06981	3.0
131.08537	27.9
133.04964	1.2
133.06531	0.7
133.10092	18.3
135.08025	39.2
135.11632	5.7
137.05981	0.9
137.09589	1.3
137.13254	2.9
139.03842	0.8
143.08553	9.6
144.09395	1.1
145.10106	8.5
147.08054	0.9
147.11633	6.9
148.08826	1.1
149.09595	15.9
149.13237	4.2
150.10361	1.5
155.10658	1.5
157.10104	1.2
158.10896	13.3
159.11655	1.5
161.09605	1.5
163.14796	4.5
171.11603	3.4
173.11835	2.2
173.13211	43.0
174.10640	0.8
175.14769	1.2
176.11920	1.4
189.12688	1.6
191.14267	100.0
209.15216	1.3
215.14398	0.9
287.44351	0.7
305.17374	9.7
355.37399	0.9
381.23044	0.8
485.23523	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	485.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17961	0.7
51.15500	0.6
51.34001	0.7
53.00293	1.9
53.03938	1.7
55.01864	3.2
55.05500	6.8
57.03426	10.4
57.07057	3.4
59.04986	1.8
61.02906	1.3
67.05495	10.8
69.03414	50.0
69.07053	32.6
70.03745	0.8
71.04966	5.0
73.02902	3.9
79.05475	10.7
81.03390	7.4
81.07038	23.9
82.07350	1.8
83.04971	5.8
83.08602	5.5
85.02885	25.9
85.06531	3.1
87.04442	9.0
91.05456	13.2
93.07014	14.2
95.04943	4.5
95.08579	23.6
95.94540	0.8
96.08923	1.6
96.99345	0.7
97.02863	30.1
97.06496	5.8
97.10148	1.9
97.47913	0.8
99.04427	1.7
99.08076	7.7
100.08367	1.3
105.07007	16.8
107.04938	1.7
107.08576	24.6
109.02840	6.0
109.06476	8.0
109.10141	4.9
111.04404	1.3
111.08067	11.5
115.03916	11.8
115.05322	0.8
117.07006	4.7
119.08553	14.3
121.06465	5.1
121.10104	15.8
123.08042	11.7
124.07672	0.9
127.03887	5.1
129.06960	3.4
131.08540	26.5
133.04947	5.2
133.10100	17.1
135.08025	37.1
135.11629	5.8
137.06053	0.8
137.09581	5.0
137.13242	3.8
138.13547	1.2
143.08524	6.8
144.09348	1.1
145.02820	1.2
145.10100	12.6
147.04407	3.2
147.08081	1.5
147.11652	7.3
149.09592	17.0
149.13217	6.3
155.14287	5.6
156.09332	0.9
156.14624	1.0
157.10094	1.6
158.10912	12.0
159.11682	1.2
161.05869	1.2
161.09558	1.8
163.03882	1.0
163.11287	0.9
163.14783	2.0
171.11609	3.2
173.11789	1.7
173.13203	42.2
174.15631	1.5
175.07411	0.9
175.11160	0.9
175.14751	1.1
176.08290	1.6
177.05377	1.9
181.04938	0.8
189.12766	1.1
191.14268	100.0
207.10045	1.4
286.17398	1.2
287.16937	1.3
305.17413	11.8
315.72714	0.9
350.07037	0.8
485.23450	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	484.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32886	1.6
54.82086	1.6
55.05496	14.0
57.07063	27.0
59.76256	1.8
67.05491	27.2
67.51973	1.8
69.07049	27.6
70.06577	17.2
71.08599	9.6
73.02889	2.1
74.81447	1.8
79.05471	18.2
81.06588	3.3
81.07034	51.0
83.08598	13.1
85.10175	2.3
88.07597	23.9
89.06016	4.0
91.05447	11.4
93.07018	35.3
95.08578	100.0
97.10128	11.1
102.09156	12.5
104.16317	1.9
105.06998	31.5
107.08569	67.1
109.09380	3.4
109.10129	71.0
111.11679	4.1
119.08555	35.4
121.10110	61.3
123.11695	25.3
125.09588	3.6
133.10083	37.7
135.11653	41.7
137.13235	4.7
145.10083	9.8
147.11676	32.5
149.13240	29.6
159.11664	4.5
161.13223	26.5
162.96939	2.3
163.14743	30.7
173.13287	2.0
175.14755	20.8
177.16336	26.5
179.14293	2.6
187.14792	7.9
189.16307	15.5
191.17906	64.7
200.20047	12.9
201.16393	4.0
203.17886	33.3
205.19453	9.1
207.17371	2.9
215.17969	4.1
217.19484	41.9
218.40962	1.9
221.18965	4.1
228.23158	36.1
229.19406	3.4
233.19014	2.7
235.20529	31.8
235.25706	2.4
245.22646	3.4
255.23228	3.3
256.26300	4.6
259.30945	1.8
283.26266	42.5
284.17700	2.0
311.29501	16.3
395.36667	3.8
407.36597	3.5
413.37585	12.4
425.37680	61.2
443.38733	39.1
484.35425	14.4
484.47116	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36854	1.2
53.61146	1.1
55.05496	6.5
57.03436	1.5
57.07071	52.2
63.82230	1.3
64.56486	1.0
67.05489	8.7
69.07063	8.3
70.06573	1.9
71.08237	2.3
71.08616	40.7
73.06536	8.8
79.05500	4.5
81.07048	13.2
83.08603	6.9
85.10165	34.5
87.04448	2.9
88.07601	2.3
89.06016	100.0
91.05460	1.8
93.07018	8.0
95.08588	23.2
97.10147	1.7
98.47114	1.2
99.11647	1.4
102.09142	1.2
105.07026	7.7
107.07046	2.1
107.08584	12.8
109.10140	20.4
117.09113	3.0
119.08556	10.0
121.10117	15.6
123.11685	6.3
133.08603	29.5
133.10127	5.1
135.11647	8.5
137.09578	1.3
141.16360	2.3
145.10106	2.7
147.11646	5.0
149.13261	7.8
159.11667	2.0
161.13202	4.8
163.14789	4.5
173.13243	1.3
175.14761	5.1
177.11241	12.0
185.18982	4.9
187.14789	4.5
187.34219	1.1
189.16339	1.5
191.17900	6.3
201.16292	1.3
203.17906	2.5
217.19395	1.8
221.13795	2.4
228.23282	4.8
229.21555	7.1
239.14702	1.4
243.03819	1.3
254.27277	1.3
256.26465	1.3
273.24149	7.2
283.26398	5.2
311.29614	1.8
313.27292	6.9
319.21899	1.6
320.22809	1.4
327.20120	9.6
391.33493	1.5
421.30688	1.6
425.37744	7.9
443.38803	1.7
467.35785	28.0
483.34250	1.9
484.27393	27.0
484.34607	13.5
484.46732	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	484.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26987	5.4
54.93171	6.8
55.05488	12.1
56.45531	6.3
57.07057	38.3
58.98684	5.6
63.39997	6.0
65.47831	5.2
67.05489	15.7
69.07040	35.8
70.06568	13.2
71.08602	10.1
73.92251	6.6
79.05468	15.2
81.07022	40.1
83.08617	7.1
88.07594	27.7
89.05965	8.4
92.08638	8.6
92.09154	24.3
93.07016	26.7
95.08585	100.0
97.10130	11.0
102.09152	10.1
105.06993	29.8
107.08566	44.6
109.10133	61.5
119.08529	14.2
121.10131	55.9
133.10075	28.6
135.11670	42.7
145.10138	10.5
147.11667	15.4
161.13176	10.3
163.14774	15.8
175.14780	11.4
177.16324	14.4
191.17885	67.7
200.20096	15.7
203.17888	33.4
217.19437	44.8
228.23155	36.8
235.20525	35.3
255.23114	7.0
283.26172	47.9
292.14212	7.4
311.29358	14.7
372.74673	6.8
413.37784	8.1
413.70554	8.2
425.37369	42.3
443.38596	29.2
484.47287	91.4
485.36029	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	484.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.1
53.03930	0.8
55.01848	0.8
55.05503	17.6
56.96545	0.5
57.03426	19.1
57.07066	10.0
59.04991	6.9
59.07747	0.5
59.36018	0.5
60.04516	1.4
61.02901	0.8
67.05483	9.1
69.03414	52.9
69.07053	9.8
71.04972	16.1
71.08614	0.7
73.02882	2.2
73.06531	11.4
75.04462	2.7
75.39851	0.5
76.56639	0.5
77.33051	0.5
79.05485	1.3
81.03397	3.4
81.07036	59.1
83.04971	0.9
83.08599	29.4
85.02885	37.9
85.06510	5.4
87.04445	29.4
91.05450	1.3
92.09122	2.4
93.07014	2.4
95.04958	1.3
95.08582	64.4
97.02866	38.8
97.10143	18.2
99.04409	2.2
99.08086	2.2
99.22507	0.6
100.11248	1.4
103.03937	0.5
105.03358	0.6
105.07014	1.0
107.08540	1.0
109.02855	4.3
109.06509	0.6
109.10136	3.3
109.25810	0.5
111.04433	1.3
111.11705	1.3
113.05978	1.3
114.37467	0.6
115.03909	31.3
115.07571	1.0
119.08591	0.7
121.10091	1.1
123.04388	0.5
127.03896	3.5
133.02829	1.0
133.04930	24.3
133.10080	0.8
137.13228	69.1
138.31334	0.5
141.05441	1.3
145.04947	2.9
147.04437	2.9
150.07562	5.6
155.14281	51.4
169.04886	0.9
173.15332	100.0
177.05406	1.0
180.95929	0.6
215.17961	0.8
227.76721	0.5
249.51799	0.6
257.14917	0.6
259.08075	0.8
269.21094	1.2
269.70236	0.6
285.09595	1.1
287.21991	0.8
463.68423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.3
53.03944	0.2
55.01866	0.3
55.05500	1.9
55.10882	0.1
57.03428	7.1
57.07065	29.2
59.04988	7.0
59.05292	0.2
60.04516	1.2
61.02920	0.3
63.63372	0.1
67.05491	1.2
69.03413	20.6
69.07052	6.8
71.04977	1.6
71.08591	0.4
73.02898	0.8
75.04452	0.7
79.05486	0.4
81.03397	1.2
81.07036	8.5
83.04951	0.3
83.08605	1.4
85.02887	15.9
85.06526	1.7
87.04447	12.5
91.03958	0.2
91.05470	0.3
91.53642	0.2
93.07011	0.7
95.08580	5.7
97.02866	15.0
97.06500	0.3
97.10140	2.8
99.04418	0.4
99.08073	5.3
103.03931	0.3
107.08568	0.3
109.02864	0.4
109.10126	1.2
111.11687	2.7
113.09588	0.2
114.51894	0.2
115.03908	10.8
118.53881	0.1
119.08516	0.2
121.10127	0.3
123.04432	0.3
127.03873	1.6
133.04936	9.2
135.11644	0.2
137.13229	19.4
145.04979	1.3
150.07573	1.5
151.03952	0.2
153.12778	0.2
155.10844	1.6
155.14276	100.0
156.14569	0.2
163.06007	0.2
173.11940	2.1
173.15327	38.9
199.21599	0.2
259.07980	0.6
263.96042	0.2
285.17099	0.2
295.10159	0.6
325.78598	0.2
396.62698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.6
53.03940	0.3
55.01863	0.3
55.05504	1.3
57.03430	11.3
59.04993	3.6
61.02901	0.4
69.03416	34.1
69.07054	6.1
71.08614	67.3
73.02892	0.6
75.04461	1.5
81.03395	0.7
81.07047	0.6
85.02889	21.6
87.04452	19.4
97.02869	23.2
97.06501	0.3
99.04433	0.6
99.08072	100.0
109.02870	0.5
109.16367	0.3
115.03909	18.2
127.03872	0.7
129.12727	10.0
133.04936	14.8
145.04961	1.6
155.08537	1.4
155.14296	1.9
169.04889	0.4
173.02299	0.4
173.15338	49.9
194.56071	0.4
205.06943	0.3
215.06982	0.6
241.07076	0.4
251.68707	0.3
259.07932	0.5
277.09116	0.6
295.10178	0.6
329.26633	0.3
360.86246	0.4
405.92154	0.4
406.26520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
53.03923	1.0
55.01863	1.3
55.05503	17.4
55.11197	0.6
57.03427	19.3
57.07066	12.7
59.04988	8.2
59.30902	0.7
60.04507	1.6
67.05490	10.7
69.03415	57.8
69.07061	8.6
71.04979	15.0
71.08594	1.2
73.02912	1.6
73.06535	12.1
73.62848	0.7
75.04462	1.4
79.05473	1.7
81.03394	3.9
81.07039	64.8
83.08604	27.5
85.02888	37.4
85.06516	5.9
87.04450	29.2
91.05447	1.1
93.07034	1.7
95.04935	1.5
95.08584	63.5
97.02874	35.0
97.10137	18.5
99.04417	4.0
99.08057	1.4
107.08575	1.4
109.02882	5.0
109.10203	2.9
111.04442	1.1
111.11674	1.3
113.06000	1.8
115.03909	31.6
119.08526	0.8
121.10137	1.2
123.04396	1.3
127.03889	5.3
133.02843	1.5
133.04942	22.1
137.13231	63.2
141.05415	4.4
141.13742	0.9
145.04927	1.7
147.04439	3.3
150.07599	5.7
155.14282	50.0
173.15341	100.0
269.21201	1.8
285.09717	3.6
295.10468	0.9
461.97183	1.1
465.79675	1.0
499.39728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08360	0.8
53.00267	0.9
53.83781	0.9
55.01863	1.5
55.05506	9.3
57.03218	0.7
57.03428	14.0
57.07072	9.2
59.04988	9.5
67.05487	17.7
67.36891	1.1
69.03063	1.8
69.03416	35.5
69.06720	1.6
69.07057	28.0
70.06577	1.6
71.04971	18.9
72.08133	2.2
73.02883	1.1
73.06524	4.0
75.04432	1.4
79.05460	6.7
81.03393	4.0
81.07049	12.2
83.04965	3.9
83.08604	22.2
85.02893	23.6
85.06524	23.0
87.04447	19.1
88.03936	1.6
91.05444	5.9
92.08673	1.9
93.07008	8.9
95.04952	5.1
95.08588	14.0
97.02866	34.7
97.06516	5.3
97.10114	2.4
99.04425	4.4
99.08051	5.7
100.07538	1.0
101.05988	8.1
105.06995	5.8
107.08578	10.9
109.02877	2.2
109.10142	78.2
111.04419	1.7
111.08063	4.0
111.11718	1.1
113.05984	26.5
114.09175	4.1
115.03909	16.4
115.07533	1.2
119.08537	5.7
120.99555	2.2
121.06456	1.1
121.10111	4.7
122.05919	1.5
123.08052	5.9
125.09582	1.8
127.03876	4.2
127.11175	12.7
129.09088	31.2
131.08545	4.3
133.04933	9.2
133.10095	4.1
135.08028	6.7
135.11671	1.9
136.07521	2.0
136.11971	1.1
137.05978	8.6
137.09581	11.0
138.02190	1.3
143.08488	1.1
143.10606	1.4
145.04947	2.2
145.10136	1.5
147.04457	1.7
147.11629	1.7
149.09564	4.6
150.05498	1.1
151.10983	1.3
153.09128	1.7
155.10648	86.1
158.10915	1.8
165.64258	1.1
173.11708	100.0
173.13167	6.3
182.15411	1.3
191.14294	9.4
199.09663	1.1
233.08034	7.1
249.15712	1.2
267.19458	1.2
267.59271	1.2
305.16196	1.0
358.03125	1.1
431.41116	1.2
466.24710	2.2
467.15265	1.4
484.25833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51847	0.4
55.01855	2.7
55.05492	4.2
57.03188	0.7
57.03425	6.2
57.07077	0.9
59.04989	2.2
60.04519	0.5
67.05490	15.1
69.03410	21.2
69.07059	4.0
71.04969	16.1
72.42296	0.4
73.02866	0.5
73.06528	0.8
74.04611	0.4
79.05473	2.7
79.32310	0.5
81.03392	1.9
81.07035	9.2
83.04962	1.3
83.08601	3.6
84.00933	0.5
85.02886	12.6
85.06519	5.6
87.04444	10.0
91.05457	8.2
93.07012	10.4
95.04939	2.5
95.08578	28.5
97.02868	16.9
97.06496	1.2
99.04416	3.7
99.08083	1.2
101.06006	0.7
104.20379	0.6
105.07017	0.8
106.86258	0.6
107.08561	3.8
109.02857	0.6
109.06505	0.9
109.10134	46.7
111.08064	23.2
113.05988	4.6
113.09621	1.1
115.03894	9.8
119.08548	14.5
120.99619	0.6
123.08029	0.9
125.09617	3.7
127.03859	1.0
127.11161	2.2
127.45846	0.6
129.09090	8.5
133.04932	6.0
133.10156	0.5
135.07994	2.4
137.09587	46.3
141.09105	2.2
144.79321	0.6
145.04936	0.9
150.07603	1.2
153.09120	1.1
153.12791	0.6
155.10637	100.0
159.10190	2.0
173.11688	74.6
328.67334	0.6
413.36151	0.6
451.63962	0.6
484.14697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22062	0.8
69.23242	1.0
69.42996	1.0
70.70393	1.1
73.06960	0.9
76.85951	1.0
89.06007	6.5
133.08566	1.2
163.06241	1.1
165.67012	1.1
283.17453	2.1
284.17935	1.8
483.37979	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	484.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.2
53.03939	1.1
54.43146	0.2
55.01870	0.3
55.05518	0.8
55.07154	0.2
57.03429	3.3
59.04984	0.4
59.99964	0.2
61.02916	0.4
67.05495	2.2
67.06704	0.3
69.03064	0.5
69.03413	9.8
69.07047	0.5
70.06587	0.4
71.04979	6.5
73.02894	1.6
74.09680	0.2
75.04449	0.3
79.05473	2.2
81.03391	3.9
81.07029	2.3
83.04967	1.5
83.08620	0.3
85.02416	0.5
85.02892	9.0
85.06528	0.4
87.04436	3.4
89.06013	9.1
91.05445	1.4
93.07015	1.9
95.04945	1.3
95.08588	3.8
97.02870	9.0
97.06498	2.0
99.04433	11.0
99.08067	0.4
99.55346	0.3
101.06002	0.4
105.07004	0.4
107.08574	1.2
109.02861	2.6
109.06521	1.2
109.10148	3.5
111.04408	0.5
111.08039	0.6
113.05994	0.5
113.09581	0.3
115.03920	3.1
115.07549	0.3
119.08531	1.2
121.06439	0.2
121.10103	0.4
121.20469	0.3
123.04400	0.3
123.08057	0.3
125.05979	0.3
125.09618	1.2
127.03857	4.0
127.04503	0.2
127.07542	0.3
129.09100	0.3
132.04428	6.2
133.04984	2.3
137.05934	1.3
137.09589	4.5
141.09056	1.2
145.04921	2.8
147.04352	0.4
155.07091	1.9
155.10649	18.8
159.10139	1.4
167.06932	0.3
173.08046	1.3
173.11674	3.9
178.04956	86.8
179.05565	0.3
201.09071	0.3
206.04451	100.0
261.09528	0.4
269.17471	0.4
287.13913	0.3
484.14304	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	483.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44107	0.3
54.42838	0.4
58.22557	0.4
63.75881	0.3
65.40947	0.4
74.88160	0.3
75.14662	0.4
81.07022	1.1
83.08607	0.4
88.95232	0.4
92.08993	4.4
93.07035	0.7
95.08582	2.0
96.08942	0.4
100.92882	0.4
107.08578	0.9
109.10156	2.0
119.08560	0.7
121.10081	0.6
135.11638	0.5
144.76521	0.4
147.11644	0.7
177.16373	0.4
185.78419	0.5
187.34895	0.5
191.17998	0.5
225.11159	0.5
378.98889	0.5
405.07123	0.4
483.38120	100.0
484.38422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55398	0.3
57.50519	0.3
67.05500	0.6
74.84487	0.3
79.05464	0.5
81.07049	0.6
81.99779	0.3
89.06049	0.4
92.09117	1.9
93.07018	0.6
95.08594	0.8
105.07039	1.5
107.08601	1.8
109.10130	0.4
110.29800	0.4
111.96086	0.4
119.08574	0.8
121.10147	0.4
131.08566	0.5
133.10127	1.6
157.10109	0.4
161.13263	0.4
173.13164	0.6
187.14828	0.8
228.67455	0.4
232.26622	0.3
294.82138	0.3
437.30313	0.7
446.28351	0.4
482.33578	0.8
483.34445	100.0
484.35025	0.4
503.71356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33929	0.4
75.85844	0.4
81.07025	0.9
86.00275	0.4
91.05418	0.4
92.08553	0.7
93.07029	0.9
95.08568	1.9
105.06989	0.5
107.08577	0.6
107.39558	0.4
109.10094	0.6
119.08553	1.9
121.10151	1.0
133.10120	0.9
135.11682	0.4
136.17709	0.4
198.46329	0.5
237.69751	0.4
244.81125	0.5
319.22482	1.6
435.32571	0.8
437.30115	0.5
453.33298	18.6
483.27289	13.0
483.34363	100.0
484.34515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
57.07062	0.9
67.05489	0.7
69.07064	1.3
73.01767	0.5
79.79884	0.5
81.07040	1.3
83.08620	0.9
91.05482	0.6
93.07040	0.8
95.08601	0.7
98.71550	0.5
98.98476	1.1
105.07028	2.1
107.08588	1.1
109.10146	0.6
118.45103	0.5
119.08588	1.2
121.10193	1.1
131.08556	0.6
137.09674	0.5
145.06644	0.6
145.10097	1.1
178.07825	0.6
185.13290	0.5
203.14169	0.9
217.16039	0.5
245.15285	0.6
250.78239	0.5
307.76648	0.5
311.25854	3.2
319.22516	2.2
467.59891	0.7
483.27405	28.9
483.38171	100.0
484.27850	2.1
484.38397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05503	2.6
56.96552	7.0
57.03426	12.2
57.07062	9.2
65.03924	4.6
67.05490	72.3
69.03414	59.2
69.07038	1.3
71.04972	26.8
77.07137	1.1
79.05480	2.1
81.07036	4.8
83.04979	8.1
83.08587	1.6
85.06536	10.0
91.05470	5.9
93.07036	6.4
95.04945	71.1
95.08585	7.7
105.07011	5.6
107.08577	6.7
109.10096	2.5
113.05985	100.0
113.47378	1.2
119.08571	5.6
121.10148	4.7
129.06943	1.6
131.08621	2.1
133.10123	4.9
143.00145	4.2
145.10081	4.2
147.11717	2.3
157.10043	1.4
159.11609	2.4
161.01205	5.9
169.10158	2.0
171.11761	1.1
178.85066	1.1
197.13367	1.2
227.13994	1.3
281.92484	1.3
371.22113	16.1
471.23724	2.8
471.73941	4.7
483.31061	10.0
509.19513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33929	0.4
75.85844	0.4
81.07025	0.9
86.00275	0.4
91.05418	0.4
92.08553	0.7
93.07029	0.9
95.08568	1.9
105.06989	0.5
107.08577	0.6
107.39558	0.4
109.10094	0.6
119.08553	1.9
121.10151	1.0
133.10120	0.9
135.11682	0.4
136.17709	0.4
198.46329	0.5
237.69751	0.4
244.81125	0.5
319.22482	1.6
435.32571	0.8
437.30115	0.5
453.33298	18.6
483.27289	13.0
483.34363	100.0
484.34515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37697	0.5
53.00304	2.1
53.03929	0.7
55.01857	2.5
55.05498	2.5
56.96550	3.0
57.03177	0.7
57.03430	17.0
57.07063	10.8
58.32536	0.5
59.97306	0.4
65.03925	6.2
67.05492	71.2
69.03416	62.8
69.07038	0.5
71.04610	1.2
71.04977	28.9
79.05476	1.3
81.07026	2.6
83.04965	13.7
85.06532	8.7
91.05449	3.7
92.64803	0.6
93.07014	2.9
95.04947	76.7
95.08588	1.3
105.07005	3.8
105.10352	0.7
107.08567	3.4
113.05990	100.0
117.06986	1.0
119.08564	3.8
121.10163	0.6
129.06964	1.4
131.08572	1.4
133.10078	1.0
141.30791	0.5
143.00127	2.7
145.10081	0.7
147.11717	0.8
157.10309	0.5
161.01164	2.7
175.07440	5.1
175.14760	6.2
181.10194	0.7
208.03676	0.7
212.85487	0.6
353.21173	0.9
371.22095	14.6
462.23230	2.8
462.73401	1.4
471.24298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.6
81.07073	0.6
92.09264	0.5
95.08582	0.6
97.06613	0.5
107.87296	0.5
117.65579	0.5
119.08563	0.8
120.94344	0.5
121.10118	0.8
138.94008	0.5
300.22934	0.5
482.33026	3.6
483.27087	100.0
483.33606	5.9
484.27014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.9
55.01870	1.4
55.05506	1.4
56.84875	0.8
56.96555	4.8
57.03207	1.0
57.03431	14.6
57.07055	6.9
59.54459	0.8
65.03922	5.5
67.05493	71.1
67.07291	1.0
69.03414	68.6
69.07101	1.0
71.04978	28.7
79.05475	1.7
81.07050	4.6
83.04975	11.6
85.06528	10.5
91.05465	6.3
92.05797	1.1
92.08896	1.0
93.07027	7.8
95.04948	74.2
95.08587	4.5
105.07024	5.8
107.08587	6.2
109.06533	1.2
109.10165	2.4
113.05988	100.0
117.07009	1.6
119.08566	6.8
121.10134	1.2
123.11686	1.2
129.06958	2.2
129.94791	1.1
131.08534	4.8
133.10075	2.6
143.00098	1.6
145.10114	1.5
147.08020	1.1
147.11682	2.0
149.02316	2.2
152.44904	1.1
155.08496	1.3
157.10062	1.3
159.11694	1.4
161.01245	4.8
161.13193	1.4
171.11674	1.4
173.13367	1.6
175.07452	8.3
175.14883	1.6
183.11703	1.8
189.16354	1.5
193.04965	4.2
237.07596	2.7
338.75592	1.3
371.22147	14.1
437.30679	1.7
483.29788	7.0
483.34213	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	483.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.2
53.03938	0.8
55.01858	0.6
55.05508	4.6
57.03428	10.1
57.07059	1.1
59.04997	5.0
59.74112	0.4
61.02908	0.6
67.05479	3.1
69.03416	27.3
69.07056	10.0
71.04974	29.2
73.02891	1.9
73.06529	6.3
79.05473	8.6
81.03394	2.5
81.07039	32.8
83.04962	0.9
83.08620	2.1
85.02889	27.1
85.06519	3.5
87.04448	17.1
91.05447	3.0
91.98248	0.5
93.07024	24.5
95.04922	0.8
95.08595	6.3
97.02254	1.1
97.02869	26.4
97.06507	4.6
99.04454	0.7
105.06979	2.2
107.08578	20.6
109.02856	1.1
109.06528	1.2
109.10151	5.0
111.04436	0.9
111.08051	2.6
115.03912	18.8
115.04708	0.6
116.11311	0.5
119.08553	2.7
121.10130	0.5
125.13235	0.9
127.03863	2.9
133.04951	16.1
133.10117	0.5
135.11673	32.0
145.04939	2.5
147.04417	0.7
153.12718	100.0
159.11667	0.6
163.06044	0.5
163.27489	0.5
169.04837	0.6
171.10208	0.7
171.13806	2.0
173.55702	0.5
241.06900	0.8
249.14961	0.5
267.15796	0.8
277.09286	0.6
285.16864	0.7
295.10251	0.9
315.18097	1.2
483.14597	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01208	0.6
53.00282	0.7
55.05506	42.4
57.03426	18.6
57.07066	15.4
67.05481	6.0
67.62881	0.7
69.07054	46.3
70.65332	1.0
71.08616	9.2
79.05476	5.7
81.07041	11.5
83.04939	1.1
83.08603	31.5
85.10162	4.2
91.05446	1.3
93.07005	7.7
95.08576	8.5
95.58670	0.8
97.06509	4.8
97.10148	23.7
98.98443	12.9
105.07020	1.1
107.08586	5.8
109.10146	1.7
111.08086	0.9
111.11688	6.4
119.08559	1.9
121.10133	5.9
125.13250	1.2
135.11656	2.1
140.65538	0.8
145.10156	1.0
149.13235	1.5
155.01065	3.3
173.02153	1.4
185.13211	1.0
212.93132	0.8
230.28209	0.9
259.13058	1.4
267.42566	1.1
311.25739	100.0
319.22366	1.3
375.44162	0.9
447.25046	3.9
465.30533	1.0
482.33057	9.1
483.34848	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30834	0.4
51.92451	0.4
53.03933	0.7
54.20577	0.5
55.01845	1.2
55.05500	5.3
57.03424	5.9
57.22341	0.4
59.04973	0.9
60.54888	0.4
61.02921	3.6
61.03162	0.4
65.03896	0.6
67.05487	4.3
69.03400	2.2
69.07053	31.4
71.04965	0.8
79.05045	0.8
79.05470	14.0
81.07050	5.0
83.04946	2.0
83.08583	0.6
85.02870	2.0
85.06515	2.0
87.08084	2.2
89.03893	3.3
91.05408	1.0
93.07028	1.1
95.04955	3.3
95.08588	0.7
97.02846	0.6
97.06508	84.9
97.10148	0.6
100.22897	0.5
105.06995	2.1
107.04912	1.9
107.08593	0.7
109.10121	1.1
111.04388	1.2
111.08048	3.1
112.08824	0.6
114.31257	0.4
117.03349	4.9
119.04881	0.5
119.08549	1.1
121.10125	2.0
123.11740	0.6
129.09082	2.9
131.04910	0.6
131.08592	0.8
133.02800	4.2
133.10121	1.0
135.04387	8.9
137.05969	0.6
141.06929	0.8
143.08484	0.6
145.01794	0.8
145.02823	9.0
145.10045	0.7
147.04390	2.8
157.06432	0.7
159.04378	11.0
159.08057	1.1
161.02310	37.0
161.05937	0.9
163.03870	62.7
169.06419	2.2
171.04291	0.6
173.02310	79.5
177.05388	2.0
179.03358	0.9
185.05928	4.8
186.03119	0.8
187.03848	0.9
187.07494	3.4
191.03368	14.2
197.05977	2.0
199.03903	0.7
213.09090	1.0
215.06995	100.0
233.08090	5.1
241.08534	13.7
259.09595	22.1
273.11179	11.5
291.12204	80.6
451.53223	0.5
483.17822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1381
Annotation	N-[(7,8-Dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate
Peak:m/z	Relative Intensity
51.28951	0.6
56.96550	10.4
57.03408	0.7
69.03411	1.6
70.29887	0.7
70.39616	0.7
78.63478	0.7
84.96024	1.8
85.02880	4.1
87.04454	1.1
97.02866	1.8
98.97563	91.2
110.97569	1.9
112.99127	1.1
116.98597	56.4
124.99111	1.1
127.03921	1.0
128.98595	4.1
131.00151	1.8
134.99632	23.7
140.55089	0.9
143.00145	8.1
144.98085	1.3
145.01700	1.0
145.04942	0.8
146.99617	6.3
147.03276	0.9
149.01195	1.7
153.00708	0.8
158.98366	1.2
158.99632	29.4
161.01198	13.1
163.02747	4.2
165.04294	0.8
170.99646	6.8
171.03311	1.4
173.01208	0.9
177.00674	40.4
179.02231	1.9
182.99658	3.3
185.01341	1.0
189.00661	10.1
189.04355	12.4
191.02296	1.2
195.01770	3.7
201.00684	12.0
203.02136	1.1
207.01732	1.4
207.05383	5.2
217.94612	1.1
219.01749	17.1
231.01698	1.7
231.05460	1.4
237.02782	20.3
249.02788	12.7
255.03952	1.4
267.03879	6.3
291.03793	3.2
291.07449	8.3
309.08505	35.0
323.06250	1.3
335.21115	0.9
365.07355	1.0
420.43536	1.0
423.11646	100.0
424.12180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.4
55.05506	2.7
56.12419	1.4
57.07066	90.5
69.07053	11.8
71.08614	70.6
73.06544	2.3
83.08627	3.4
85.09702	2.7
85.10163	39.5
87.04457	3.1
89.06010	100.0
91.98470	1.7
97.10123	2.1
99.11733	2.0
107.07050	3.5
113.13206	2.8
113.21448	1.4
123.87265	1.3
124.27092	1.5
133.08574	35.3
140.04855	1.4
177.11214	13.2
215.38014	1.5
221.14017	1.5
271.26276	5.6
283.17444	31.8
315.29089	2.9
421.35635	1.8
465.37778	59.2
481.36389	2.8
482.36981	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50455	0.6
54.81462	0.7
56.96548	3.3
58.34726	0.5
98.97556	21.1
108.65278	0.6
116.98592	18.4
134.99614	10.9
153.00670	0.9
174.97658	3.8
177.00876	1.4
192.98650	6.9
195.22595	0.6
214.95692	0.9
216.98669	1.2
219.01947	1.4
232.96588	11.9
234.99762	6.1
240.98587	0.7
250.97711	16.7
256.96594	11.3
258.99725	5.7
259.99960	1.2
261.03030	7.8
262.03214	2.5
263.02939	1.2
272.94241	0.9
274.97659	63.8
275.97864	2.6
277.00806	15.0
278.00867	1.1
279.00671	0.8
280.96579	1.1
282.99991	5.4
292.98703	22.2
298.97659	36.8
299.09790	1.4
299.98044	0.6
300.97855	1.0
301.00995	10.7
302.01111	2.1
303.00739	1.2
316.98740	100.0
317.98886	2.5
319.02139	1.0
332.96729	0.9
334.99850	5.0
340.00314	1.1
340.98950	0.6
358.99899	2.2
374.97827	2.3
380.96927	0.7
398.97757	3.6
401.00824	0.8
416.98904	8.0
422.97858	3.3
440.98840	26.4
441.98413	0.6
443.01935	0.7
458.99854	45.9
459.99966	2.6
482.01205	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01874	1.9
55.05505	11.1
57.03426	14.2
57.07057	0.4
59.04977	1.3
61.02915	4.7
65.03921	0.3
67.05492	14.2
69.03416	6.7
69.07051	5.7
70.06575	0.3
71.01293	0.2
71.04974	4.3
73.02890	2.1
79.05474	17.6
79.08577	0.2
81.03399	51.7
81.07039	20.6
81.07523	0.7
83.04961	13.1
83.08603	17.6
85.02886	24.2
85.06525	1.7
87.04436	2.0
90.57168	0.2
91.03941	2.4
91.05460	20.8
93.07020	12.9
94.90166	0.2
95.04945	17.8
95.08582	7.2
97.01442	0.3
97.02876	6.0
97.06516	3.0
97.10145	3.3
99.04427	0.4
99.08067	1.2
101.06023	0.3
105.07011	18.7
107.04946	5.0
107.08575	6.3
109.06506	3.9
109.10125	3.0
111.04470	2.0
111.08060	9.1
113.05980	1.8
115.03892	1.7
115.05395	0.6
117.06985	1.4
119.04916	0.4
119.08564	14.2
120.08052	1.4
121.06461	1.5
121.10117	7.6
123.08067	1.9
123.11675	1.4
125.09622	0.4
127.03895	0.6
127.07508	0.4
129.06963	8.5
131.08540	8.9
133.04927	1.7
133.06459	2.4
133.10101	9.1
135.08095	0.3
135.11696	2.6
137.05934	0.3
137.09601	1.9
142.07745	2.3
145.02870	0.4
145.04919	0.3
145.10065	1.0
147.08031	3.1
147.10486	0.4
147.11656	11.3
149.09604	5.4
151.11165	0.6
153.12733	5.4
157.08820	0.5
157.10103	12.7
163.03813	0.4
163.11145	0.6
165.12698	2.5
171.13741	1.3
175.11142	12.6
177.05627	0.3
193.12209	35.5
211.13255	23.8
229.14398	0.4
267.15866	6.6
285.16904	100.0
286.17331	0.5
408.65231	0.3
429.21359	0.4
447.22214	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.6
53.03914	0.6
53.31260	0.5
55.01865	0.9
55.05502	8.2
56.85885	0.5
57.03430	19.3
57.07058	0.9
59.04989	6.1
60.04496	1.2
61.02929	0.7
67.05489	8.7
68.22603	0.6
68.50211	0.6
69.03414	49.9
69.07045	4.4
71.04974	14.0
73.02917	0.9
75.04463	1.3
79.05471	7.5
79.10625	0.6
80.30009	0.6
81.03394	1.1
81.07041	24.9
83.04932	2.6
83.08609	16.8
85.02888	36.2
85.06522	0.8
87.03930	1.4
87.04446	29.4
91.05476	5.8
91.05974	0.6
93.07023	54.9
95.04957	1.6
95.08581	32.4
97.02868	32.9
97.03493	1.1
97.06514	24.5
99.04424	1.2
101.09655	4.6
105.07011	2.5
107.08575	74.3
109.02845	1.1
109.06498	1.4
109.10139	44.9
110.10532	0.8
111.08063	2.5
113.09641	1.0
115.03909	28.9
119.08564	1.2
123.11680	19.9
127.03908	1.2
127.11199	0.9
130.78636	0.7
133.04941	22.5
135.11667	100.0
135.54680	0.6
141.12697	1.3
145.04942	2.8
150.07594	4.0
151.11151	0.6
153.12723	44.2
161.62839	0.6
171.13765	80.7
259.08011	0.6
277.09082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
53.23168	0.8
55.01859	1.8
55.05499	5.5
57.03174	1.6
57.03432	29.5
59.04993	7.8
61.02922	1.9
65.03916	1.1
66.93285	0.8
66.96082	0.7
67.05480	7.3
69.03418	94.3
69.07044	4.8
70.72002	0.8
71.01326	1.1
71.04975	2.1
73.02882	1.9
75.04455	5.7
79.05483	16.0
81.03396	6.6
81.07034	14.5
83.04966	6.1
83.08595	1.1
85.02894	69.7
85.09064	1.1
87.04454	54.6
91.03960	1.0
91.05456	21.1
93.07030	79.6
95.04939	6.2
95.08588	22.2
97.02875	64.9
97.06504	11.4
99.04430	4.2
103.03941	1.4
105.04475	1.1
105.07011	11.7
107.04958	1.3
107.08582	100.0
109.02866	2.3
109.06483	6.6
109.10149	5.6
111.04431	2.0
115.03912	57.8
117.07012	1.9
119.05953	0.9
119.08537	4.4
121.06474	1.0
121.10126	7.2
123.08031	3.9
123.11742	1.3
127.03903	5.7
131.08569	2.0
133.04945	56.4
133.10115	4.1
135.08032	10.6
135.11678	54.2
137.05905	1.0
137.13295	2.0
142.07784	1.4
143.08533	2.1
145.04918	7.1
145.10107	2.4
147.11673	3.6
149.09567	1.3
151.11183	1.1
153.12749	18.4
159.11673	1.6
160.89508	1.1
163.06087	1.0
163.07439	2.8
165.12767	1.5
171.13766	4.5
173.09630	1.7
177.12746	2.4
199.09633	1.1
219.13795	1.4
231.13887	1.3
241.06995	2.3
249.14861	4.8
259.08167	3.7
267.15790	4.2
277.09039	1.2
285.17032	1.6
295.10138	1.5
384.38196	1.0
391.59167	1.3
429.26117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.5
53.03926	2.8
55.01856	1.3
55.05512	7.1
57.03430	20.9
59.04993	5.2
60.04509	0.8
61.02906	2.3
64.27818	0.6
65.03925	0.7
67.05489	8.0
69.03416	59.1
69.07060	6.2
69.07381	0.7
71.04955	0.7
73.02888	4.6
75.04437	1.4
79.05477	14.4
81.03400	4.5
81.07038	11.8
83.04952	3.2
83.08619	1.1
85.02891	46.2
85.06567	0.7
87.04449	36.2
90.50934	0.7
91.03919	1.1
91.05458	18.8
92.08486	1.0
93.07023	86.3
95.04947	6.8
95.08587	16.8
97.02872	41.8
97.06525	7.0
98.81152	0.5
99.04410	2.9
105.04527	0.9
105.07035	9.3
106.82661	0.5
107.08580	100.0
107.25505	0.5
109.02850	1.2
109.06518	4.2
109.10149	7.9
111.04421	1.3
111.08116	0.9
115.03908	41.6
117.06954	0.7
119.06024	1.0
119.08564	4.6
121.06465	1.0
121.10120	4.8
123.04419	0.7
125.09612	0.6
127.03899	6.5
129.06987	0.6
131.08522	2.3
133.04936	36.3
133.10115	3.2
135.11673	52.3
137.05940	1.0
138.11249	0.7
139.03885	0.6
143.08484	1.4
144.31177	0.6
145.04945	6.6
145.10127	1.4
147.11697	1.3
150.07593	2.4
153.12718	10.3
157.10092	1.1
159.11668	2.2
163.05988	1.2
169.04922	0.7
177.12720	3.4
185.07932	1.0
185.13220	0.6
193.04893	1.0
219.13715	0.8
231.13794	2.7
241.06923	1.2
249.14844	2.6
259.08194	4.2
267.15930	4.7
277.09131	1.2
285.16895	1.2
295.10120	4.8
389.25842	0.7
464.91214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.2
53.03943	2.2
55.01860	3.7
55.05495	6.8
57.03426	29.1
57.07069	1.7
59.04993	7.6
61.02911	5.0
67.05489	12.9
69.03413	100.0
69.07047	13.7
71.04964	6.7
73.02899	5.0
73.06572	0.9
75.04449	5.8
77.01061	0.8
79.05465	15.5
81.03392	8.6
81.07034	29.8
83.04961	5.9
83.08604	1.7
85.02885	77.6
85.06529	2.1
87.04444	53.6
91.05449	13.1
93.06416	1.0
93.07018	60.7
95.04935	5.7
95.08583	26.3
97.02866	70.8
97.06503	56.1
99.04436	5.0
103.03916	1.3
105.07016	9.6
107.08572	71.0
109.02847	4.1
109.06512	6.0
109.10139	13.2
111.04427	1.4
111.08060	1.5
115.03908	57.4
117.06992	3.6
118.31029	0.8
119.08569	7.1
121.06520	3.5
121.10120	4.2
123.04360	1.7
123.08007	1.6
123.11728	1.5
125.09592	1.0
127.03915	8.7
131.08554	4.1
133.04935	52.3
133.06459	1.4
133.10094	4.2
135.08040	18.8
135.11664	61.7
137.05919	1.8
137.09630	1.5
137.13231	6.8
143.08521	3.0
145.04904	8.0
145.10081	1.8
147.04387	1.6
147.08087	1.3
147.11687	2.1
151.07620	0.9
151.11201	1.3
153.12709	40.1
157.10132	1.6
159.11656	1.8
161.09576	1.2
163.05980	1.4
163.07509	5.1
165.12778	1.8
171.13792	10.6
175.11102	1.1
177.05438	1.5
177.12784	2.0
181.08606	2.0
193.12250	1.2
195.13676	1.1
219.13576	1.6
231.13698	1.6
241.07120	1.3
246.14816	1.6
247.12617	1.2
249.14790	1.0
259.07932	3.5
267.15845	4.9
277.09094	1.3
285.16815	6.5
295.10193	3.5
297.16928	1.2
333.19293	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.6
53.03951	0.6
54.45138	0.5
55.01862	6.5
55.05499	9.7
55.88473	0.5
57.03431	6.6
59.04990	1.2
60.04509	0.6
61.02913	1.2
64.20536	0.5
65.03918	1.0
66.71622	0.6
67.05491	16.5
69.03065	1.0
69.03416	21.4
69.07047	3.4
71.04976	6.5
73.02901	8.0
75.04451	0.9
79.05470	25.2
81.03391	2.4
81.07040	10.0
83.04980	6.1
83.08643	0.6
85.02892	15.2
85.06536	11.2
87.04449	12.3
91.05463	5.5
93.03374	1.0
93.06477	1.0
93.07023	17.9
95.04958	4.8
95.08563	2.8
97.02868	22.4
97.06506	2.7
97.10134	0.9
99.04430	17.1
105.07012	2.1
107.04938	13.3
107.08575	55.5
109.02876	0.8
109.06511	3.5
109.10113	4.4
111.04418	10.0
111.08047	4.9
113.06024	1.0
115.03898	10.0
115.05418	0.9
117.06994	18.5
119.08549	0.9
121.06462	0.7
123.08043	0.9
125.09589	13.5
125.81310	0.5
127.03902	2.7
130.15862	0.8
131.08592	0.6
133.04968	7.5
134.06197	0.5
135.04427	0.6
135.08029	48.1
135.11644	5.2
137.05957	0.9
137.09554	0.5
141.09055	0.9
143.10670	2.1
145.04951	0.9
147.04395	2.5
150.44911	0.6
153.05478	2.4
153.09079	81.2
153.12675	2.1
171.10127	100.0
189.14983	0.5
267.12238	0.8
483.14688	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	482.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01863	4.2
55.05503	7.0
57.03425	8.5
59.04982	1.0
60.04479	0.8
61.02912	0.7
65.03910	0.8
67.05490	14.6
69.03065	0.9
69.03411	18.2
69.07045	1.0
71.04980	5.6
73.02902	4.0
73.50758	0.5
75.04454	0.6
79.05472	23.4
81.03406	2.1
81.07034	8.2
83.04949	6.4
84.76307	0.5
85.02885	14.6
85.06064	0.6
85.06529	12.1
85.59643	0.4
85.78577	0.5
87.04449	12.8
87.37527	0.5
91.05464	5.8
93.03361	1.1
93.07023	13.6
95.04935	4.6
95.08578	0.9
97.02864	19.3
97.06487	0.9
97.10155	1.0
98.97535	0.7
99.04418	12.9
99.08062	0.5
99.08979	0.5
105.07008	3.1
106.06535	0.8
107.04928	12.1
107.08575	46.0
108.08141	0.5
109.02898	0.7
109.06470	2.2
109.10140	5.1
111.04418	11.0
111.08056	5.5
115.03897	9.5
115.05430	0.7
117.06991	13.5
123.08040	1.0
124.07502	0.7
125.09599	12.7
127.03904	2.0
130.15930	0.7
133.04953	6.7
133.06418	0.5
134.05988	0.6
135.08025	41.2
135.11613	0.7
137.05908	0.6
143.10631	2.7
145.04958	1.0
147.04379	1.1
147.20177	0.7
150.07578	0.9
151.03893	2.5
152.07022	2.4
153.05464	3.1
153.09076	67.6
171.10121	100.0
221.57512	0.5
221.86504	0.5
291.61081	0.5
333.16138	0.6
482.16656	0.8
483.14218	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01844	1.2
55.05505	24.2
57.03419	4.6
57.07072	20.9
67.05147	1.3
67.05495	35.0
69.03408	6.4
69.07054	57.3
71.04987	8.0
71.08605	8.3
79.05474	19.1
81.03400	1.7
81.07039	77.6
83.08604	31.8
85.02882	10.3
85.06511	6.5
85.10163	2.6
87.04432	2.0
89.96481	1.1
91.05454	6.4
93.07027	35.6
95.04927	1.1
95.08584	100.0
97.02847	1.6
97.06518	1.1
97.10151	20.6
99.08079	2.0
100.11257	1.5
105.07003	4.4
107.08580	32.4
109.02831	1.7
109.09396	2.1
109.10136	56.0
111.08067	2.3
111.11691	9.2
113.09650	2.7
119.08504	1.3
121.06460	1.5
121.10114	31.7
123.11667	22.0
125.09576	2.8
125.13290	2.3
127.11140	1.5
131.08578	2.0
135.11684	27.7
137.05963	11.3
137.09607	1.7
137.13229	9.1
139.11209	2.1
145.10156	1.4
149.13229	16.4
151.14851	7.9
155.56383	1.5
159.11630	1.8
163.14781	7.9
165.16333	2.4
177.16380	8.7
190.65900	1.1
191.17931	10.3
201.18436	1.1
247.24150	25.3
265.25214	13.4
273.32886	1.3
283.26306	17.8
301.27469	8.8
362.17123	1.1
389.85089	1.2
403.65591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
64.33684	0.9
67.05492	5.3
69.07043	0.9
79.05484	1.4
81.07047	5.7
89.03904	0.9
91.05454	1.0
93.07034	3.5
95.08577	8.8
96.08900	1.6
98.14996	0.9
100.87604	0.8
105.07030	0.9
105.52332	0.9
107.08601	3.5
109.10162	3.5
117.03384	6.9
117.06978	1.0
119.08542	1.1
121.10141	1.6
133.10173	1.3
135.11664	1.0
145.02844	16.6
146.03195	4.0
147.11649	1.0
148.03415	1.1
149.05984	1.6
164.70749	0.8
177.05429	25.6
178.05734	10.4
195.06552	3.1
196.06761	1.0
251.20158	1.4
252.20250	1.1
252.25240	0.9
473.77621	1.1
481.32898	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	481.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.35685	0.6
55.01846	3.1
57.03431	6.5
61.02914	9.2
64.33494	0.9
65.03882	0.7
67.05495	1.6
69.03413	20.0
69.07043	1.5
71.04974	0.8
73.02878	4.0
79.05453	3.8
81.03391	11.4
81.07020	5.3
83.01265	0.9
83.08606	0.8
85.02885	100.0
87.04461	1.1
88.29643	0.7
91.03936	1.8
94.06510	1.3
95.04933	5.5
97.02860	40.6
97.06511	1.2
99.04440	3.2
103.03903	3.7
108.08109	10.2
109.02858	12.7
109.06549	0.9
110.06061	1.5
122.05999	5.7
123.50115	0.9
125.05959	9.1
126.04696	1.0
126.05450	8.3
126.09104	3.9
127.03891	18.7
135.04462	1.0
136.07547	19.8
138.05449	0.9
140.07034	58.2
145.04910	20.8
150.09105	4.5
151.03854	1.8
152.07019	15.5
154.08623	8.6
163.03871	4.5
163.05905	8.8
164.07018	24.6
178.08591	22.7
182.08075	94.1
202.08652	1.0
206.08083	45.3
212.06990	1.8
218.08084	5.3
220.09796	1.2
236.09100	3.3
242.07938	1.0
248.09090	9.0
266.10110	3.0
278.10284	2.0
284.11270	6.8
302.12228	15.9
319.12631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3074
Annotation	Emetine
Peak:m/z	Relative Intensity
55.09626	1.4
57.07042	1.8
67.05407	1.6
67.59753	1.6
76.00397	1.5
81.07053	2.5
89.38003	1.7
90.92766	1.4
92.08841	8.5
107.08571	1.5
109.10193	1.8
119.08547	1.6
122.19920	1.6
216.86380	2.0
481.31494	100.0
487.63910	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36687	0.4
51.83017	0.3
53.03933	0.3
55.01860	0.6
55.05487	0.6
57.03426	5.2
57.07056	0.6
59.04981	0.8
65.03902	0.6
66.35780	0.4
67.05502	3.2
68.91589	0.4
69.03070	0.7
69.03417	13.1
69.07033	0.8
70.03740	1.6
71.04971	0.6
73.02911	0.5
79.05476	3.6
81.07040	11.8
82.07395	1.6
83.04961	0.7
83.08591	0.5
85.02893	10.3
85.06541	0.9
86.03218	0.4
87.04462	7.1
91.05466	3.7
93.07011	2.9
94.04175	3.5
95.04951	2.4
95.08083	0.5
95.08578	4.0
97.02866	7.9
98.03223	0.6
105.07003	3.4
107.04924	1.7
107.08592	4.9
108.08884	0.6
108.58811	0.5
109.06477	3.9
109.10152	5.4
110.10439	0.4
115.03903	5.8
116.04247	0.6
117.55716	0.4
119.04916	1.9
119.08574	0.6
121.02840	2.8
121.06429	0.5
121.10128	2.4
122.03623	11.0
123.04443	0.5
123.08028	2.7
123.11689	19.9
124.12015	6.6
125.09638	0.4
126.09162	2.2
127.03904	0.9
127.09434	0.5
131.05002	0.5
131.65161	0.4
132.95305	0.4
133.02815	0.6
133.04950	5.6
133.06435	0.9
133.10109	7.3
134.05280	0.8
134.10451	2.5
135.04382	2.3
135.08028	1.0
137.05959	100.0
139.03891	1.0
145.02786	0.5
145.04977	0.5
147.04407	2.2
149.05948	0.8
150.07689	0.7
151.07530	3.1
151.11163	22.2
151.12343	0.9
152.11490	7.5
153.06918	0.5
154.07732	0.5
158.99661	0.4
161.05957	4.4
163.03853	4.8
163.07492	2.3
164.04216	2.3
165.06990	5.2
166.07773	3.1
167.07074	3.1
167.08379	0.7
169.12202	20.5
170.12563	7.6
178.07681	0.8
179.08568	0.5
181.05009	0.8
182.07251	0.6
183.07997	0.7
192.10204	0.6
193.06526	2.8
194.07225	7.5
197.09550	0.9
205.06509	2.8
209.09555	0.9
210.06763	2.0
211.07521	2.9
221.05943	4.9
222.06677	5.1
223.07538	0.8
224.08224	1.0
225.09062	2.8
227.06963	0.6
233.05836	0.6
237.09093	4.0
239.06975	2.2
250.06161	0.9
251.06993	1.8
252.07896	0.6
253.08597	2.1
254.09413	0.8
265.08563	12.2
266.09341	0.5
267.10123	2.2
271.09558	2.1
277.08353	0.5
282.08890	1.6
283.09671	0.6
285.11200	4.4
287.13882	1.7
297.11169	12.1
309.11194	0.8
315.12253	12.3
319.16382	1.9
432.14417	0.5
475.21994	0.5
481.18430	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	480.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	28.5
55.17761	4.3
57.07065	39.3
62.03461	4.5
67.05489	7.0
68.32176	4.6
69.07053	53.3
71.04979	45.0
71.08607	22.6
79.68551	5.2
81.07021	25.6
83.08591	36.2
85.10172	8.0
92.09311	20.2
95.08579	34.0
97.10120	31.5
99.04434	33.5
109.10138	10.0
111.11683	11.3
118.19225	4.6
119.08514	5.7
123.11647	6.4
125.05955	100.0
127.03876	59.9
132.83315	5.4
137.05972	54.7
161.09604	8.5
167.06982	28.4
168.45044	5.0
225.04219	6.8
311.57098	5.4
403.35397	25.3
445.36093	7.8
463.37445	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	480.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77558	2.6
55.05508	26.7
57.07073	29.5
61.96324	2.3
63.57080	2.0
67.05492	13.6
67.62673	2.1
68.61684	2.2
69.07059	51.0
71.08622	19.8
78.81229	2.4
79.05477	5.0
81.07043	39.2
83.04900	3.4
83.08604	32.3
84.76810	2.6
85.10195	6.1
92.09315	2.9
93.07021	20.1
94.33690	2.2
95.08583	25.1
97.06480	2.9
97.10146	13.8
107.08587	17.7
109.10124	18.9
111.08035	3.6
111.11679	10.4
121.06496	3.2
121.10138	5.5
122.33269	2.4
123.08082	4.8
123.11685	5.5
126.06776	2.7
126.57590	2.4
135.11664	13.5
137.06042	3.7
139.07521	74.4
139.08493	4.9
149.09639	4.1
149.13184	5.8
151.07498	6.2
154.65974	3.0
159.57170	2.7
163.14809	6.3
165.05409	5.7
165.09084	14.3
175.11171	3.0
177.09079	3.8
193.08568	3.9
233.58075	2.7
289.28784	17.0
307.29938	18.5
427.35486	11.8
445.36716	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	480.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12230	1.5
55.05503	16.0
57.07057	8.4
59.04995	3.4
59.19061	1.6
62.06070	1.9
67.05506	18.6
69.03388	1.8
69.07054	31.0
71.04964	2.7
71.08626	2.2
79.05474	7.7
81.07040	36.6
83.08597	19.2
85.06527	4.6
87.28390	1.9
91.05463	4.5
93.07015	27.4
95.08584	47.5
97.06493	3.9
97.10162	17.6
105.03392	2.3
105.07005	18.6
107.08572	42.2
109.10148	28.9
109.64254	1.9
111.08101	2.9
111.11731	2.3
113.05972	15.2
117.07024	3.5
118.03781	2.0
118.62959	2.3
118.71513	2.0
119.08559	34.3
121.10113	40.3
123.08047	2.1
123.11673	12.4
131.08537	10.1
133.10106	22.4
134.23608	1.9
135.11688	24.1
137.13261	9.4
141.35074	1.8
143.08521	3.1
145.10109	22.3
146.03876	1.8
147.11626	14.4
148.13118	1.8
149.05974	8.2
149.13229	9.7
156.76749	1.9
159.11681	25.9
161.13214	10.0
163.14781	10.5
173.13211	14.0
175.14795	7.6
177.16379	2.9
185.13130	2.7
187.14780	21.1
189.16359	4.3
191.17911	11.5
201.16362	30.4
203.17917	15.1
213.16309	3.7
214.93652	2.1
215.16179	4.4
215.17917	9.8
223.20598	2.5
229.19402	16.2
237.18544	2.5
339.28839	12.4
371.29407	2.4
409.34457	4.8
427.35669	100.0
445.36655	64.5
455.48654	2.0
463.37567	9.2
480.31485	20.8
481.33121	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	480.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.0
57.07074	9.3
59.11254	4.6
69.07055	37.9
71.04974	14.4
71.08604	11.2
81.07043	12.9
83.08601	24.6
83.64955	5.6
92.08706	7.1
95.08606	23.7
97.10156	12.8
99.04466	10.4
103.16298	6.0
109.10200	9.9
111.11705	8.9
125.05979	100.0
127.03909	33.9
137.05949	39.0
145.45932	5.7
160.52081	5.1
160.53603	5.6
167.07060	9.2
176.86520	6.8
275.06400	6.9
337.34570	9.6
403.35587	23.8
463.37427	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	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	26.2
57.03422	5.9
57.07052	6.3
60.86843	3.6
62.06075	25.5
65.52142	3.9
67.05492	27.4
69.07060	40.2
71.04972	6.5
79.05504	8.2
79.74875	3.6
81.07040	37.8
82.12081	3.8
83.08603	25.3
85.10169	4.7
91.58185	4.2
93.07027	21.9
95.04972	3.9
95.08586	29.8
97.10168	7.4
98.98455	6.5
104.52525	3.4
105.03377	7.6
105.07014	4.6
107.08611	7.7
108.12321	4.1
109.10139	21.6
113.06009	6.2
119.08603	5.8
121.10126	6.5
122.76653	4.1
149.05971	18.5
149.09555	5.5
151.61899	4.8
165.09074	26.6
308.29483	19.5
339.28873	100.0
341.10355	6.1
357.69659	4.3
462.29639	5.1
479.30823	18.1
480.31314	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35439	1.4
53.00287	2.3
53.03928	1.4
55.01860	5.2
55.05503	6.3
57.03185	1.2
57.03430	27.8
57.07059	2.7
59.04985	20.3
60.04519	2.0
61.02914	2.7
67.05498	11.4
68.17172	1.2
69.03414	97.2
69.07031	5.0
71.04980	20.9
73.02894	2.6
75.04456	3.2
79.05472	19.2
81.03394	8.1
81.07035	52.9
83.01328	2.4
83.04974	2.4
83.08596	5.4
85.02889	72.3
85.06506	2.1
87.04448	56.0
91.03908	1.8
91.05457	12.1
92.08733	1.8
92.64301	1.3
93.07009	28.6
95.04938	12.4
95.08567	9.4
97.02254	2.7
97.02870	70.4
97.06496	2.7
99.04433	6.7
105.07026	14.1
107.04939	2.2
107.08580	25.7
108.04449	9.3
109.02876	4.9
109.06501	18.6
109.10133	37.1
111.04426	2.4
111.08056	7.7
113.41718	1.2
115.03142	2.5
115.03909	60.9
117.06973	2.3
119.08551	6.0
121.02811	24.3
121.06467	3.0
121.10121	8.6
123.04424	1.4
123.08016	5.3
123.11681	45.4
125.09576	1.7
127.03860	9.3
133.04936	50.7
133.10100	26.8
135.07907	1.5
135.11661	5.4
136.42644	1.7
137.09563	6.6
139.03888	3.1
143.08614	1.5
145.04944	8.7
145.10106	3.3
147.04362	1.5
147.11577	1.7
150.07576	6.1
151.11156	100.0
153.12718	3.1
161.09563	1.9
163.11162	10.1
169.12189	20.6
171.06406	1.5
173.09557	1.5
175.11150	2.3
177.05528	1.4
181.24950	1.2
193.12280	3.0
205.23483	1.4
209.11691	2.0
227.12769	2.3
247.13379	1.5
257.33237	1.5
259.08105	5.1
265.14243	2.1
277.09131	2.7
283.15356	40.1
295.10086	7.5
295.15326	3.4
313.16330	11.2
322.57700	1.4
329.55170	1.3
331.17416	11.7
419.05685	1.5
427.19376	2.3
432.37546	1.4
445.20465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
54.08613	0.4
54.48450	0.4
54.82049	0.4
55.01863	9.1
55.05502	15.9
56.96553	0.3
57.03427	9.6
57.07060	1.0
59.04974	2.9
61.02912	5.4
63.83956	0.5
65.03938	0.7
67.05489	10.8
69.03405	4.0
69.07046	4.0
71.01319	0.9
71.04986	4.3
73.02893	2.2
79.05467	16.0
81.02922	0.7
81.03391	11.8
81.07033	17.6
83.01318	13.2
83.04960	13.4
83.08599	15.1
85.02892	10.6
85.06509	1.9
85.68430	0.4
91.03930	1.1
91.05457	9.6
93.07017	25.4
95.04939	6.6
95.08575	7.8
97.02858	6.4
97.06523	5.3
97.10115	1.0
99.04434	2.8
99.08075	2.2
105.07001	9.2
107.04932	9.4
107.08569	15.3
109.02827	1.1
109.06500	7.4
109.10155	4.0
111.04412	4.8
111.08046	2.8
115.03883	0.7
117.03314	0.8
117.06982	7.2
119.08559	7.9
121.06418	3.4
121.10122	8.5
123.04475	0.6
123.08035	7.9
123.11675	0.8
124.07545	4.1
125.05966	1.0
125.09528	0.6
127.03841	0.9
129.06993	0.7
130.07713	0.9
131.08537	4.1
133.10118	2.5
135.04391	2.5
135.08023	2.4
135.11668	13.7
137.09598	2.2
139.07433	0.5
143.08545	0.8
145.02831	2.8
145.06522	0.7
145.10097	16.9
147.04376	0.8
147.08014	2.0
147.11702	0.5
148.04674	0.7
149.09607	1.0
151.11159	0.4
153.12703	5.8
155.08540	3.0
159.38036	0.5
163.03874	9.9
163.11137	29.4
165.09050	0.8
173.09557	4.1
177.05443	2.2
181.05057	0.6
181.12187	5.3
191.10593	5.2
205.07281	0.5
209.11719	8.0
227.12772	6.9
250.41003	0.5
281.22357	0.6
283.15332	100.0
301.16446	1.1
301.20016	0.5
428.06729	0.5
450.52786	0.6
480.31113	0.7
481.16629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91532	0.7
51.01447	0.7
51.66934	0.7
53.00312	0.8
54.81511	0.6
55.01864	1.3
55.05502	1.8
56.90778	0.7
57.03431	15.1
57.07067	3.2
59.04982	4.2
60.04491	1.1
61.02903	1.3
62.40808	0.8
65.03921	0.7
67.05492	6.3
69.03415	43.3
69.07056	1.2
71.04982	1.5
71.73745	0.8
73.02903	1.8
74.06071	0.8
75.04456	0.9
79.05471	3.2
81.03387	3.6
81.07037	42.2
81.67410	0.8
83.04967	3.1
85.02417	1.5
85.02895	31.3
87.04448	29.8
89.03809	0.9
91.05448	6.2
91.76303	0.8
91.81956	0.8
93.07022	6.3
95.04951	3.8
95.08590	12.4
97.02868	38.5
105.07010	15.8
107.08579	22.4
109.02864	1.3
109.06517	10.4
109.10147	17.5
111.04426	3.7
115.03908	29.0
117.03323	0.9
121.02834	9.6
121.10125	6.3
123.04432	1.4
123.08064	11.5
123.11683	98.1
124.07607	1.0
125.09563	1.4
126.09133	13.3
127.03907	4.8
133.04945	21.5
133.10097	33.6
135.04422	3.6
137.05957	10.2
139.03859	10.5
145.02838	3.8
145.04927	1.8
147.04341	1.7
151.11162	92.0
163.03867	24.7
169.12206	100.0
181.04955	3.4
185.15335	1.1
259.08078	1.4
260.12860	1.6
277.09116	1.1
283.07791	1.0
287.16434	1.1
288.12271	7.4
291.87076	0.9
295.10138	1.1
306.13391	1.5
480.18588	7.0
480.60794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.62133	0.3
55.01859	4.3
55.05489	0.7
57.03426	4.4
59.04981	0.7
60.04502	0.8
67.05487	4.8
69.03068	0.7
69.03413	15.1
69.03980	0.4
70.06564	0.4
71.04982	4.5
73.02897	3.6
73.03236	0.4
77.41261	0.4
79.05475	15.0
81.03392	4.2
81.07017	2.7
83.01317	2.6
83.04969	4.1
85.02885	12.2
87.04459	5.6
89.06006	8.4
91.05461	2.6
91.26479	0.5
93.07027	4.1
95.04916	2.6
95.08584	5.0
97.02868	14.4
98.03236	0.4
98.97575	0.5
103.05421	2.3
103.95506	0.4
105.03374	0.5
105.07010	52.1
106.04157	0.5
107.04926	1.0
107.08558	1.8
108.04470	0.7
109.02839	3.8
109.06469	0.9
109.10152	0.6
110.02976	0.4
111.04462	0.7
115.03915	4.6
115.05418	2.0
120.08059	0.9
121.02848	3.5
121.06458	2.0
123.04408	6.8
123.08037	4.5
124.05171	2.3
125.06049	0.4
127.03871	2.8
131.08498	0.6
133.05017	3.2
133.06461	51.2
137.05936	0.8
139.07542	0.5
145.04919	1.0
147.04385	0.6
148.04755	0.5
149.05943	0.5
151.03879	2.1
151.07516	35.6
152.04677	2.1
153.05490	0.9
166.13747	0.5
167.06998	100.0
169.08562	55.4
177.05457	0.4
195.06569	0.6
211.00546	0.6
212.06952	0.8
213.54762	0.5
242.08141	0.6
247.09537	0.5
254.57983	0.5
261.09717	0.6
265.10574	0.5
278.10040	0.6
283.07776	0.5
354.27649	0.5
481.16699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.8
53.03925	1.0
53.12663	0.6
55.01862	1.6
57.03175	1.2
57.03426	23.2
59.04972	5.0
60.04499	1.0
61.02916	0.9
65.03909	1.2
69.03414	68.0
73.02888	1.9
75.04450	3.4
81.03400	8.5
85.02888	52.8
87.04453	37.5
89.62538	0.7
91.05473	14.7
92.08887	2.6
95.04942	9.2
97.02261	1.8
97.02869	41.8
99.04391	3.0
105.07047	3.1
107.04932	1.1
108.10899	0.9
109.02844	4.9
109.06496	1.3
111.04427	1.0
114.30095	0.8
115.03141	1.6
115.03906	33.9
119.04924	14.1
121.02843	100.0
121.06471	3.6
123.04393	0.8
127.03857	10.2
129.58315	0.8
131.04947	1.4
133.04939	33.3
133.06487	3.4
136.05225	1.0
137.05962	3.6
139.03893	13.1
140.68066	0.8
145.04904	4.9
145.06432	1.0
146.94635	0.9
149.05936	1.4
150.07581	4.4
151.07518	74.7
161.05975	1.5
163.03728	1.0
165.09091	13.3
167.06985	4.5
169.08536	7.4
174.06622	1.0
175.07471	1.5
177.05412	1.6
179.06972	7.9
181.08563	0.9
187.69121	0.9
189.09070	1.8
193.08582	14.1
205.08563	3.6
211.09610	1.6
219.10161	1.0
235.09518	4.9
247.09636	6.8
260.37756	0.9
265.07120	6.1
265.10617	8.5
265.13083	1.0
283.08084	18.1
301.09067	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65998	5.5
55.01858	5.7
55.05489	42.2
56.72501	5.7
56.97455	4.6
57.07061	24.3
58.08478	5.0
67.05480	33.9
69.07053	75.4
71.04955	15.4
71.08589	7.9
78.77390	5.3
79.05468	8.4
81.07034	87.6
83.08585	38.8
85.10153	7.6
95.08575	74.1
97.10121	30.2
99.04411	15.5
105.07076	6.7
107.08518	7.8
109.06488	9.7
109.10155	52.5
111.11664	14.5
123.11652	13.6
125.05953	90.3
127.03879	14.2
137.05956	100.0
139.37602	6.4
143.08609	6.3
167.07022	52.8
171.11688	7.3
175.11116	8.0
223.30385	7.5
307.83923	6.7
382.03107	6.8
461.36243	9.6
479.34686	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	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95021	1.1
54.81973	1.0
55.01875	1.3
56.58675	1.0
57.03178	1.9
57.03429	33.6
59.04990	6.8
60.04511	2.1
61.02896	2.2
69.03414	94.1
71.04942	1.2
73.02890	1.7
75.04459	2.9
81.03399	2.5
81.54343	1.1
84.04514	1.1
85.02889	69.5
87.03932	2.4
87.04448	49.4
91.05460	17.8
92.09215	7.1
95.04926	2.0
97.02873	63.8
99.04420	1.5
105.07005	2.9
109.02862	1.3
109.06493	2.4
111.04441	1.4
115.03905	50.3
119.04915	21.4
121.02856	2.3
121.06498	2.9
127.03878	5.9
129.07034	1.8
131.04881	1.5
133.04942	42.7
133.06497	4.1
136.05193	1.9
137.05952	5.4
144.06519	1.4
145.04921	3.1
150.07623	6.6
151.07520	100.0
161.05904	2.6
163.03905	2.3
165.09061	21.5
167.07082	1.7
169.08592	6.5
175.07529	5.8
177.09070	1.3
179.07025	12.9
189.09053	2.4
193.08585	20.3
205.08557	4.7
211.09637	1.9
217.08585	1.6
219.10164	1.7
235.09544	2.7
247.09631	9.1
254.88159	1.5
259.08157	1.9
265.10678	8.0
277.10675	1.8
327.21103	1.4
390.50845	1.4
430.94510	1.4
494.64865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.8
55.05502	54.7
57.07067	28.7
59.04960	3.3
67.05495	27.8
69.07052	72.0
71.04978	19.8
71.08609	10.0
72.28230	3.5
79.05466	5.8
81.07035	76.7
83.08607	44.4
85.10155	4.2
91.05405	4.9
93.07005	16.8
95.08578	63.1
97.10139	18.8
99.04395	7.3
105.07007	5.5
107.08588	23.4
109.06532	14.0
109.10129	38.8
110.33849	3.9
111.11699	3.6
119.08527	5.7
121.06468	4.1
121.10139	6.6
123.11687	7.2
125.05952	67.3
127.03905	23.4
131.08521	5.8
133.10088	4.9
135.11674	4.4
137.05952	100.0
137.13249	5.1
139.07504	24.0
147.11742	3.7
149.09578	6.2
149.23753	4.2
151.07533	15.6
159.11620	5.0
161.13329	5.3
163.11176	4.2
165.05447	6.4
167.07014	36.5
171.11691	6.0
175.11070	6.3
177.09019	31.9
191.10727	5.1
191.14174	3.9
201.12663	6.2
202.21945	4.1
265.72827	4.3
315.84995	4.0
425.34039	7.8
427.69705	4.9
443.35098	27.5
461.36060	25.7
479.35406	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	479.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	2.7
55.05503	35.1
57.07063	23.1
66.01818	2.5
67.05500	24.2
69.07055	73.1
71.04971	29.6
71.08597	10.7
79.05466	13.6
80.28934	2.4
81.06591	4.8
81.07034	87.7
83.08604	35.7
85.47009	2.9
92.08931	17.6
93.07007	5.3
95.08589	66.0
97.10153	21.2
99.04428	13.7
107.08573	6.0
109.06490	13.6
109.10133	29.3
111.11687	15.5
119.08529	2.7
121.10143	4.9
123.11666	15.1
125.05963	93.4
125.13299	3.0
127.03864	26.8
133.10043	3.9
137.04997	4.6
137.05954	100.0
137.13258	5.7
143.08517	3.5
151.07513	3.3
156.09305	4.4
157.10107	5.7
161.13199	5.1
163.14742	3.3
167.07001	33.1
170.82474	3.0
171.11684	5.9
173.65475	2.5
175.11096	5.5
183.11685	3.8
189.12794	6.0
198.10359	3.9
215.14189	4.1
225.04311	3.8
271.48331	3.3
283.29587	3.6
335.32944	11.9
336.06485	3.3
383.32928	3.1
397.34653	4.8
401.93573	2.8
443.35223	4.1
461.36273	5.5
479.30527	3.2
479.35367	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	479.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
63.69496	0.9
68.57697	0.9
69.07066	1.3
81.07050	2.3
95.08611	4.4
107.08557	1.3
119.08590	1.8
133.10115	1.5
147.11679	1.2
172.11829	1.2
174.69142	1.2
192.88618	1.2
228.11243	4.8
248.08807	1.2
398.60049	1.1
437.32806	1.3
479.31128	100.0
479.37097	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3131
Annotation	BIBN-161
Peak:m/z	Relative Intensity
54.54395	0.3
55.05498	0.6
56.52078	0.4
66.33382	0.3
67.05484	1.5
68.40865	0.3
69.07066	1.7
79.05458	0.5
79.76209	0.3
81.07041	3.0
83.08593	0.7
91.05452	0.7
93.07018	1.6
95.08614	3.2
105.07024	0.6
107.08574	1.8
109.10148	1.7
110.10435	0.5
119.04915	1.9
119.08566	2.0
121.10133	2.3
122.10480	0.6
123.11683	0.5
131.08562	0.4
133.10100	0.8
135.11668	1.5
136.11964	0.4
145.10120	0.5
147.04395	6.3
147.11649	0.7
148.04718	2.4
155.53369	0.4
159.11722	0.6
160.12062	0.5
161.13194	0.7
165.05516	0.7
182.83168	0.4
189.16313	0.4
201.16260	0.6
203.17915	0.5
279.23294	0.6
280.23520	0.7
388.14624	0.4
400.75327	0.4
425.34061	0.7
426.34427	1.5
444.35532	0.5
461.36102	0.5
479.31268	100.0
480.31473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3126
Annotation	BIBN-161
Peak:m/z	Relative Intensity
55.05500	1.3
58.45427	0.5
67.05488	0.8
67.39099	0.5
69.07058	1.3
70.21718	0.5
70.43211	0.6
79.05465	0.9
79.86732	0.5
81.07040	1.4
86.68069	0.5
91.05457	0.8
95.08613	2.7
96.49974	0.6
102.19824	0.5
105.07021	0.7
107.08591	2.5
109.10149	1.1
119.08591	2.8
121.10152	1.3
123.11697	0.9
131.08630	0.6
133.10077	1.0
135.11649	1.4
137.83253	0.7
147.11691	0.8
159.11572	1.0
196.89532	0.6
212.12987	0.6
223.94633	0.6
440.30475	0.7
461.30319	1.1
479.31265	100.0
480.32169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73953	0.6
52.40658	0.5
55.05501	2.4
57.07072	0.8
64.87098	0.5
67.05482	3.8
69.07051	3.6
78.60974	0.7
79.05473	3.7
81.07034	10.0
82.07378	0.8
83.08621	1.2
88.26505	0.6
89.64059	0.6
91.18634	0.6
93.07004	6.3
94.07414	0.7
95.08578	12.8
96.08869	1.2
97.10166	0.9
102.30067	0.8
104.09771	0.6
105.06998	5.9
107.08576	15.0
108.08909	1.2
109.10150	5.0
110.10467	0.7
119.08566	9.0
119.12979	0.6
119.73263	0.7
120.08889	1.3
121.10127	9.4
122.10490	1.0
123.11702	1.1
129.58585	0.6
131.08572	0.7
133.09294	0.7
133.10097	5.6
135.11682	4.4
136.12030	0.7
145.02847	3.8
145.10170	1.2
147.04385	1.0
147.11710	3.1
149.13275	0.9
153.09117	2.9
159.11661	0.7
163.14821	0.8
165.09102	1.1
177.05479	4.2
177.16345	17.0
178.16747	4.5
189.16354	11.0
190.16747	2.8
191.17957	0.8
192.18318	0.7
196.37750	0.7
207.17427	1.6
249.18388	5.7
250.18872	1.5
251.20100	0.8
366.91687	0.7
382.28818	0.7
443.35321	0.8
444.35837	0.9
471.54520	0.7
479.31244	100.0
480.31873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
53.93036	2.1
55.05505	22.7
57.03428	4.6
58.06593	4.7
58.79869	2.0
61.02910	3.1
61.51424	2.2
67.05488	18.0
69.03429	12.1
69.07050	14.4
70.06583	4.1
71.04976	10.4
73.02910	4.5
79.05458	18.4
81.03376	4.4
81.07036	38.5
82.06572	2.7
83.04974	4.5
83.08605	17.4
84.04481	4.4
85.02888	41.2
85.06527	32.2
86.09692	3.6
87.04472	2.7
91.05445	13.4
92.08749	3.8
93.07016	35.1
95.04968	4.4
95.08580	35.3
97.02875	4.8
97.06522	6.4
97.10127	3.3
99.04367	2.6
100.07614	4.0
100.11240	22.9
105.07014	39.4
106.48469	3.1
107.08588	34.1
107.77245	2.7
109.06493	5.3
109.10136	25.2
110.08016	3.1
111.04416	3.6
117.06979	5.0
119.08537	35.3
121.10115	30.5
123.11712	12.0
125.09502	2.6
127.03893	5.1
128.07051	4.8
129.06970	3.8
131.08559	23.1
133.10107	36.7
135.11671	21.9
137.05902	3.2
137.09627	5.3
140.10657	19.1
141.07008	3.2
143.08539	17.7
145.04927	2.9
145.10097	53.2
147.11673	26.1
149.09464	3.0
149.13237	14.8
151.11131	11.1
155.08554	4.2
157.10092	15.2
159.11658	28.0
161.13260	22.9
163.11162	15.3
164.14131	2.8
165.09099	6.3
167.07008	2.6
168.10204	10.6
168.13770	28.0
169.10059	5.6
171.11703	14.9
173.13239	12.7
175.14781	3.7
182.15366	16.7
183.11612	5.1
185.13213	13.9
187.14764	4.3
189.12747	4.2
196.13266	16.0
197.13274	15.8
199.14778	12.7
201.16354	4.2
210.14842	22.7
211.14816	18.1
213.16223	4.6
225.16389	13.0
241.19479	5.1
253.19402	18.0
255.21045	6.3
267.20297	2.9
271.20554	11.1
281.22565	74.0
281.25415	3.8
284.23050	4.3
299.23602	100.0
312.26529	2.7
317.24689	20.1
459.09448	3.0
461.28909	3.3
479.35797	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
54.74124	0.8
55.05495	4.9
67.05484	8.7
69.03398	3.6
69.07040	6.4
71.04961	2.0
79.05470	9.9
81.03385	1.2
81.06591	1.3
81.07033	22.6
83.08601	7.4
85.02888	11.2
85.06528	21.8
91.05454	9.8
92.08885	1.0
93.07016	21.4
95.08582	24.8
97.02843	1.4
97.06528	1.5
97.10147	1.6
99.04416	1.1
99.08096	2.0
105.07015	20.6
107.08584	22.9
107.41641	0.9
109.10137	15.9
111.08043	1.3
113.09645	0.9
114.47422	1.0
117.06992	2.4
119.08575	15.0
121.10128	13.0
123.11666	4.3
125.02497	1.0
127.03855	1.2
129.06972	1.4
131.08530	20.6
133.10106	15.1
135.11678	14.1
137.05995	1.2
137.09563	7.4
143.08542	11.2
145.10097	24.4
147.11661	17.5
149.13226	13.6
151.11223	1.4
155.08517	2.2
156.09340	1.7
157.10078	10.6
159.11671	30.1
161.13235	20.5
163.11139	2.0
163.14850	1.3
169.10040	5.7
171.11684	14.1
173.13254	13.9
175.14757	9.3
176.07022	1.9
177.12700	4.4
183.11642	5.5
185.13217	17.1
187.14781	10.8
189.12753	8.1
189.16325	1.3
197.13263	9.8
199.14793	13.1
201.16354	4.8
203.14270	2.0
211.14798	10.0
213.16382	5.5
215.17879	6.0
217.15849	4.4
225.16348	14.1
227.17876	4.6
239.17804	4.4
241.19470	10.0
243.17334	1.2
253.19449	61.1
255.21042	12.3
257.22534	4.0
281.22574	99.2
299.23636	100.0
317.21213	1.7
317.24701	30.5
361.99069	1.0
406.20966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
53.51281	1.5
55.01845	2.5
55.05497	10.1
57.03419	12.7
59.04988	2.0
61.02903	10.6
67.05492	16.9
69.03419	33.6
69.07065	15.1
71.04973	11.0
73.02895	2.8
79.05476	21.2
81.03416	13.5
81.07034	41.8
83.04973	2.2
83.08598	11.6
85.02892	100.0
85.06528	24.1
86.09594	1.9
87.04444	3.0
91.03909	2.4
91.05451	26.8
92.08859	10.4
92.09382	2.0
93.07019	37.9
95.04954	3.2
95.08579	40.6
97.02872	30.8
97.06519	2.3
97.10176	2.3
99.08088	2.2
105.07002	33.5
105.98473	1.7
107.08588	40.7
109.02863	11.8
109.06515	2.9
109.10147	21.8
111.04394	1.8
111.08098	3.2
117.06973	7.9
119.08560	30.5
120.08084	7.0
121.06442	2.3
121.08423	1.8
121.10112	21.6
123.08075	2.0
123.11661	6.6
125.56200	1.8
127.03902	13.6
129.06970	7.6
131.08522	29.9
132.59651	1.7
133.10103	27.2
135.11676	14.9
137.09608	9.2
142.07736	2.0
143.08530	16.6
145.04930	10.9
145.10101	42.4
147.11690	28.7
149.13231	9.7
155.08510	3.9
156.09293	2.5
157.10106	16.9
159.11665	40.4
161.13223	17.8
163.11171	2.9
165.09068	7.1
165.12778	7.1
169.10104	3.0
171.11684	19.0
173.13213	19.5
175.14790	8.2
183.11662	8.9
185.13197	16.0
187.14772	13.8
189.12752	3.3
191.14279	2.1
197.13213	8.5
199.14838	15.8
201.16325	1.9
203.05191	7.0
203.14473	1.8
203.18037	2.0
205.16100	2.4
211.14760	9.3
213.16302	3.9
217.06744	2.3
217.15875	2.2
225.16357	16.9
237.02818	4.4
239.17914	8.0
241.19547	3.3
243.17348	2.1
253.19542	15.9
255.20956	8.3
271.20511	12.0
279.03772	2.6
281.22562	72.3
299.23651	91.1
317.24713	31.9
332.01791	1.8
433.25378	2.7
443.18979	2.9
449.52856	2.0
461.28610	2.9
479.29929	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.7
54.72011	0.6
55.01851	3.9
55.02078	0.6
55.05491	4.2
57.03421	5.4
59.04972	0.6
61.02917	10.6
62.05877	0.5
67.05485	7.6
69.03413	25.4
69.07059	7.6
71.04963	2.9
73.02888	3.3
79.05056	0.7
79.05474	13.8
81.03403	11.3
81.07037	24.6
83.01305	0.7
83.04964	10.9
83.08585	2.5
84.67885	0.6
85.02888	67.8
87.04448	6.6
91.03918	4.3
91.05468	7.8
93.07013	15.9
95.04925	0.9
95.08585	21.8
97.02869	25.7
97.06509	100.0
97.10136	2.8
99.04430	6.1
105.07008	16.0
107.04903	1.3
107.08575	17.2
109.02893	7.1
109.06499	84.7
109.10147	15.2
109.89310	0.6
117.06995	3.2
118.40635	0.7
119.08559	16.7
121.06474	9.7
121.10120	16.5
123.08044	19.3
123.11668	5.8
125.77564	0.6
127.03896	14.4
129.06970	2.6
131.08539	7.5
133.10101	14.7
135.08029	4.0
135.11693	7.8
137.09615	3.1
143.08540	5.5
145.04935	10.3
145.10091	10.1
147.07982	2.4
147.11649	10.0
149.05168	0.7
149.09589	9.7
149.13242	9.4
155.08528	2.5
157.10103	5.9
159.11656	11.4
161.09546	3.6
161.13196	6.2
163.05974	0.7
163.11174	4.0
163.14769	3.9
169.10091	1.2
171.11626	5.4
173.13202	10.5
175.11145	1.1
175.14780	8.5
177.12712	9.1
177.16380	4.1
183.11671	5.1
185.13232	6.7
187.14815	5.7
189.12746	3.6
189.16342	4.2
191.14290	1.2
191.17963	0.8
197.13216	3.6
199.14772	6.2
201.16425	3.3
203.14264	3.1
203.17926	6.7
211.14757	4.1
213.16380	2.7
215.17894	1.3
217.15945	0.7
217.19504	3.4
225.16356	4.8
227.17964	2.8
229.15878	2.5
229.19298	0.7
239.17982	3.0
241.19455	3.0
243.17348	1.4
252.18875	0.8
253.19569	2.8
255.21039	1.3
271.20535	1.2
273.22086	1.1
281.22580	30.8
299.23645	80.2
317.24664	31.3
428.07703	0.8
479.29941	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	479.2098
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
52.84605	0.4
54.81718	0.4
55.05505	0.4
57.03424	1.8
57.45890	0.3
67.05481	1.1
69.03404	2.9
69.07044	0.8
71.04993	1.6
75.11016	0.4
75.26748	0.4
79.05473	0.8
81.03401	1.0
81.07021	1.7
83.04958	0.5
83.08649	0.4
85.02892	3.1
87.04436	0.6
90.37276	0.5
91.05457	1.0
93.07015	2.0
95.08553	1.9
97.02861	2.8
97.06483	0.4
97.90993	0.5
99.04400	0.4
105.06975	0.7
107.04933	0.6
107.08592	1.7
109.06491	0.7
109.10134	1.8
111.08062	0.5
115.03922	0.5
119.08565	0.7
120.08076	0.8
121.10107	0.7
125.05963	0.6
127.03893	0.7
133.10066	0.5
137.05959	1.0
148.82005	0.5
167.06985	2.1
167.10732	0.8
167.14294	1.7
185.11597	3.0
185.15274	1.0
228.36606	0.5
275.82776	0.6
345.94720	0.4
347.16595	5.9
405.38092	0.5
479.20905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91129	0.6
52.23634	0.6
57.07058	0.8
62.54179	0.6
65.03940	0.9
67.05479	1.6
69.07042	1.8
71.21481	0.8
76.56416	0.8
79.05448	0.9
80.02054	0.6
81.07037	5.1
83.08633	1.0
91.05459	11.8
92.09354	1.5
93.07018	3.6
95.08575	6.0
105.07011	1.4
107.08559	3.2
109.10145	1.8
112.49052	0.7
118.17735	0.7
119.04921	32.6
119.08579	3.3
121.10119	3.4
123.11633	0.9
125.74117	0.7
131.08653	0.9
133.10149	1.4
133.71077	0.8
135.11702	3.0
145.10066	1.4
147.04393	100.0
147.11694	1.6
159.11693	1.1
176.17796	0.9
209.07857	1.0
228.11192	0.9
229.12027	1.4
279.23209	1.8
297.23944	0.9
479.31403	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	478.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05501	19.5
57.07057	3.0
59.04977	0.8
64.32929	0.7
65.03927	0.6
66.88560	0.7
67.05489	23.3
69.06763	0.9
69.07057	13.1
71.04974	8.7
73.80854	0.6
79.05485	7.2
81.07037	35.7
83.08604	52.5
84.08138	0.9
85.06534	5.3
91.05460	12.1
93.07025	21.2
95.08581	52.7
96.33704	0.7
97.06517	1.0
97.10146	3.6
105.07020	12.5
107.08574	34.8
107.81431	0.7
108.05799	0.8
109.06487	0.9
109.10141	59.1
111.08072	1.1
111.11685	1.0
113.09631	8.9
117.06991	1.0
119.04916	28.4
119.08555	21.7
121.10114	27.4
123.08013	1.5
123.11684	17.4
125.09570	1.0
127.11169	4.7
131.08553	1.1
133.10112	17.7
135.11673	30.4
137.13220	8.6
143.08562	1.0
145.10075	5.8
147.04388	100.0
147.11656	17.2
149.13239	12.5
151.11113	1.7
151.14847	1.2
159.11700	6.0
161.13216	16.0
163.14780	12.6
165.05446	3.7
165.12737	1.4
173.13243	3.7
175.14789	10.0
177.16388	5.1
179.14226	3.6
187.14774	6.1
189.16348	19.3
191.17920	17.1
193.15764	0.9
201.16447	5.3
203.17924	14.4
205.19423	1.1
207.17416	12.9
215.17932	4.5
217.19437	9.6
229.19472	3.4
231.20830	0.9
241.19615	1.0
254.59697	0.9
261.22049	1.5
279.23209	9.7
299.27197	11.6
317.28412	1.6
325.28815	6.5
343.29877	22.6
361.30960	28.2
407.36630	5.3
425.33286	1.0
425.37897	13.8
461.36987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54866	0.8
54.96591	0.8
55.05263	1.7
55.05505	33.5
57.03413	1.0
57.07051	3.6
60.54395	0.9
67.05489	15.5
69.07047	12.1
71.04968	13.0
79.05470	5.0
81.07038	27.0
81.58598	1.0
83.08602	100.0
85.06537	2.4
91.05450	1.5
93.07026	22.6
95.08583	50.6
97.10188	1.2
105.06998	12.4
107.08585	33.1
109.10141	51.2
111.11692	1.2
113.09636	13.6
119.08552	19.7
121.10126	29.9
123.04100	1.2
123.11701	19.2
131.08519	1.6
133.10109	19.3
135.11676	28.0
137.13264	6.1
139.11125	1.1
142.79659	1.1
145.10124	6.9
147.11659	16.3
148.93462	1.2
149.13269	12.5
153.12668	1.5
159.11624	7.4
161.13245	11.8
163.14812	12.2
171.11586	1.2
173.13281	2.4
175.14859	7.8
177.16339	5.1
179.14236	2.0
187.14755	5.7
189.16357	17.1
191.17903	14.8
201.16360	6.1
203.17973	8.9
207.17439	13.3
215.17967	1.8
217.19502	4.9
221.19031	1.2
229.19563	2.0
269.22751	1.1
273.22339	1.0
273.25668	1.6
299.27170	4.1
325.28720	12.0
343.29858	34.2
354.98245	1.3
361.30911	60.4
422.37241	1.3
425.37631	4.2
478.31015	1.5
479.31134	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	478.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01863	8.3
55.05501	16.2
57.94863	1.2
59.04990	6.4
67.05486	18.0
69.03423	12.2
69.07060	19.6
79.05475	14.1
81.07037	23.8
83.04952	3.2
83.08588	11.9
84.48918	1.4
84.82143	1.2
85.06544	2.1
89.38005	1.5
91.05450	16.5
92.45963	1.6
93.07025	51.7
95.04948	11.1
95.08585	60.0
97.06516	2.6
97.10134	2.6
99.08096	1.7
105.07020	31.3
107.08575	44.1
109.06555	1.9
109.10131	20.4
111.08060	19.4
117.06993	2.6
118.94908	1.6
119.08562	40.0
121.02876	1.4
121.06425	2.6
121.10120	35.0
123.08050	6.6
123.11647	10.4
125.08662	2.0
125.09579	15.2
127.55235	1.2
128.91191	1.4
131.08543	13.9
133.10110	50.8
135.08064	1.8
135.11673	27.3
137.09561	2.0
137.13283	1.6
139.07545	2.2
139.11188	6.3
143.08546	7.6
145.10112	17.8
147.04384	2.0
147.11671	23.4
149.09663	2.6
149.13249	5.5
151.11154	15.8
155.08604	1.8
157.10086	14.4
159.11670	22.2
161.09583	2.3
161.13229	18.1
163.11188	1.6
163.14789	5.7
169.10100	3.4
171.11633	9.4
173.13255	8.6
175.11102	1.7
175.14763	7.0
179.10672	8.8
179.14291	2.8
181.37260	1.4
183.11703	2.1
185.13228	7.7
187.14749	16.7
189.12799	5.4
189.16386	2.6
191.17940	2.7
197.13213	3.4
199.14813	12.3
201.16357	32.7
203.17889	29.8
209.13339	1.9
211.14781	3.1
213.16389	9.3
215.17943	2.8
217.15875	2.7
225.16335	1.7
227.17917	6.6
235.16896	9.7
237.16216	2.0
239.17957	2.6
251.18105	5.0
253.19505	2.8
255.20966	1.6
267.21127	1.7
269.22577	23.3
281.00089	1.4
283.24420	1.6
287.23563	2.2
293.22501	3.5
305.24634	11.7
311.23651	2.2
333.25876	1.9
347.27332	2.3
384.25546	1.6
389.32007	23.1
407.33060	41.6
412.63818	1.4
425.34225	22.6
443.35205	100.0
478.29819	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	478.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	9.4
55.05499	40.8
56.65279	9.3
57.07072	74.2
66.76375	8.5
67.05502	9.5
69.07046	73.4
70.17579	9.3
71.04990	9.1
71.08611	45.3
79.05447	10.5
81.07047	100.0
83.08628	22.9
85.10159	23.2
91.05478	13.5
92.09170	24.4
93.07027	19.1
95.08579	52.0
97.10128	9.8
99.04440	11.7
107.08566	12.5
109.06496	13.5
109.10145	11.5
111.08101	11.4
111.11704	11.7
112.99963	12.1
121.10116	12.9
123.11653	18.0
127.03926	40.0
131.08563	13.0
135.08096	10.8
137.05957	89.8
151.07565	20.4
159.11719	17.8
161.94955	9.4
169.12039	9.3
173.09619	61.6
179.86049	9.3
187.11139	20.1
205.12282	13.6
335.32935	15.2
383.33023	20.3
401.34134	76.5
419.34964	14.9
443.34912	47.2
461.36234	79.0
471.88663	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	478.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40980	5.0
55.01872	10.0
55.05499	36.6
57.07066	81.8
63.78922	6.2
66.77356	5.8
67.05489	11.3
69.07057	86.7
71.04976	8.9
71.08620	42.7
73.29397	6.5
79.05463	10.9
81.07034	80.4
83.08607	44.4
85.10168	15.2
93.07023	11.1
95.08595	45.2
97.10152	34.2
99.04426	31.7
107.08592	24.5
109.10166	15.9
111.11704	11.2
120.21987	7.6
121.10155	12.0
127.03898	56.1
131.69168	6.9
137.05984	84.9
141.05414	10.9
145.10146	9.0
155.07042	10.2
159.11601	12.6
173.09550	41.2
183.06483	54.4
335.33167	10.6
401.34000	67.0
419.34998	34.1
461.36023	100.0
465.07895	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	478.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84468	5.2
54.81907	6.5
55.05497	40.4
64.33617	6.0
67.05475	10.9
69.07050	70.1
73.02928	7.3
79.05482	13.6
81.07028	73.9
83.08607	27.0
86.42570	6.4
91.05416	9.4
93.07033	51.1
95.08596	100.0
97.06496	9.3
97.10160	11.1
105.07006	29.6
107.08587	81.7
109.10128	52.2
111.08051	6.9
119.08548	41.6
121.10117	54.2
123.08019	6.7
123.11692	10.3
131.08542	13.0
133.10114	33.3
135.08008	8.1
135.11659	26.9
137.05952	10.5
145.10095	27.0
147.11693	14.4
149.13249	11.4
153.12762	8.8
157.10039	6.7
159.11678	9.3
161.13177	14.3
163.14757	13.8
173.13260	5.9
175.14795	15.2
177.16260	9.0
187.14783	32.6
189.16376	9.9
191.14307	14.2
199.14761	7.4
205.15901	33.7
213.16306	14.9
217.16034	7.2
219.17413	23.7
227.16376	12.7
233.18863	7.3
255.19479	29.0
407.32809	14.8
425.33817	76.6
441.91605	6.5
443.35065	67.6
479.34778	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	478.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47903	5.7
51.48156	5.2
55.01856	4.8
55.05494	36.1
57.07069	66.2
67.05473	11.3
69.07054	57.7
71.04989	6.2
71.08615	44.0
71.66102	6.2
79.05457	7.3
81.07032	57.0
83.08601	39.0
85.10146	10.8
88.47060	5.1
91.05479	6.7
92.09164	13.6
93.07023	10.6
95.08607	56.2
97.10138	24.6
99.04453	7.1
105.07004	9.3
107.08555	10.3
109.06481	9.0
109.10123	31.2
110.30868	5.5
110.63193	6.4
111.04396	9.4
121.10137	10.9
123.11716	10.3
125.50579	5.5
127.03930	11.0
131.08595	9.6
135.07983	7.1
135.11728	7.3
137.05963	100.0
145.10106	13.9
147.11623	7.4
149.09721	5.6
151.07506	14.0
159.11650	41.5
161.09494	8.6
169.09991	7.9
171.11493	6.3
173.09601	56.8
187.11107	44.5
201.12755	6.0
205.12201	26.1
215.14397	5.8
218.61754	5.9
335.33115	7.6
340.11914	6.2
383.32816	52.5
397.34448	13.6
401.34079	33.7
423.95593	6.9
425.34286	10.2
443.35144	73.3
461.36377	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	478.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34889	0.3
52.70935	0.3
54.50504	0.3
55.05499	6.9
57.03427	0.3
57.07068	0.5
60.50434	0.3
61.78656	0.3
63.56604	0.3
64.04111	0.3
65.03905	0.5
65.84715	0.3
67.05490	23.1
69.07052	6.7
71.04987	0.6
79.05473	8.6
81.07037	34.2
83.04941	0.6
83.08594	6.9
84.74790	0.4
85.06514	0.8
86.09664	0.4
90.43158	0.4
91.05456	10.7
93.06485	0.7
93.07025	12.3
95.04940	0.8
95.08582	33.4
97.06515	2.1
97.10148	4.2
99.08085	0.7
105.07001	4.2
107.08578	7.9
109.10133	12.7
111.08065	2.4
111.11684	0.8
111.79332	0.3
113.09644	0.4
113.85626	0.4
117.07055	0.4
119.04916	27.0
119.08539	4.1
121.09261	0.5
121.10114	12.7
123.04395	0.4
123.11680	6.2
125.09628	0.7
131.08534	1.4
133.10094	3.9
135.11665	9.1
137.09581	0.4
137.13237	2.1
139.11163	0.5
145.10114	1.4
147.04385	100.0
147.11650	3.9
149.13196	2.6
151.11121	0.4
151.14795	0.9
159.11652	0.5
161.13235	6.1
163.14754	0.6
165.05432	7.8
165.12717	2.4
173.13216	1.4
175.14804	0.8
179.14314	3.1
184.07259	0.6
187.14717	0.7
197.15346	0.6
209.15254	0.7
243.21049	3.1
261.22034	6.2
279.23120	30.8
297.24161	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	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03941	1.0
55.05505	17.4
57.03436	9.7
57.07076	2.8
61.78659	1.0
62.06080	28.4
67.05141	1.9
67.05496	49.4
69.06706	1.7
69.07054	22.9
71.06624	1.1
79.02333	1.1
79.05466	12.8
81.07041	44.5
83.08618	8.7
85.06542	1.7
85.89916	1.2
91.05460	9.3
93.07024	17.1
95.08009	2.2
95.08590	38.3
97.06502	1.3
97.10136	4.5
98.06041	1.5
98.98435	14.2
99.08056	1.7
105.07019	7.3
106.64788	1.1
107.08572	12.6
107.87151	1.4
109.10139	15.3
113.12942	1.0
119.08559	7.4
121.10133	10.0
122.72626	1.5
123.11684	5.0
126.99911	1.2
133.10107	5.9
135.11688	6.8
145.10144	2.3
147.04422	2.4
147.11665	2.3
149.13223	1.4
152.07040	1.2
152.88161	1.3
155.01009	5.7
159.11615	2.2
161.13255	2.3
163.14839	2.1
173.02039	2.3
175.14742	1.8
216.06367	1.6
240.11450	1.5
263.23648	2.8
306.28094	10.8
337.27328	100.0
425.34937	1.5
460.28445	8.9
478.29446	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	478.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
57.03426	0.1
57.48613	0.1
65.03930	0.6
67.05493	2.6
69.07055	1.1
70.23078	0.1
71.04984	0.2
79.05461	0.8
81.07038	3.0
83.08602	1.3
85.06519	0.2
91.05457	10.5
92.81622	0.1
93.07013	1.0
95.08587	3.6
97.06538	0.1
97.10141	0.2
97.75160	0.1
101.27190	0.1
105.06998	0.7
107.04980	0.1
107.08572	1.4
109.10147	2.1
113.09631	0.1
119.04917	33.3
119.08528	0.9
121.10110	1.5
123.11691	0.6
125.09672	0.1
133.10106	0.8
135.11671	1.1
137.13223	0.2
145.10123	0.2
147.04385	100.0
147.11661	0.7
148.04767	0.5
149.13274	0.4
159.04428	0.1
161.13206	0.7
163.14766	0.2
165.05432	1.3
173.11708	0.1
173.13098	0.1
175.14719	0.2
177.16249	0.1
184.29184	0.1
187.14563	0.1
189.16364	0.5
191.17969	0.2
201.16351	0.2
207.17438	0.1
217.19499	0.1
261.22089	0.5
279.23114	1.5
287.16626	0.1
297.23929	0.2
314.32074	0.1
325.29004	0.1
343.29767	0.4
343.73074	0.1
361.30856	0.4
425.26556	0.4
425.37726	0.2
443.27512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
55.01858	4.1
55.05505	22.7
56.05011	0.9
57.03424	10.2
59.04989	26.2
61.01109	1.0
61.02915	10.0
63.82113	0.7
64.56842	0.8
67.05484	0.9
68.38995	0.8
69.03065	1.7
69.03418	34.8
71.04971	7.4
73.02896	5.9
79.05499	1.2
81.03400	19.8
81.07047	1.0
83.01326	1.3
83.04967	23.6
85.02889	100.0
86.09686	5.1
87.04439	7.1
89.69915	1.1
91.03938	4.4
91.05463	15.8
93.07048	1.3
95.04947	2.0
97.02868	62.4
99.04449	8.1
101.05996	17.0
101.49840	0.9
102.05561	1.6
103.03897	1.1
103.05424	3.3
104.05303	1.8
104.08894	0.8
105.03386	1.1
105.07026	1.4
107.04935	18.6
109.02866	21.8
109.06512	1.4
111.02299	1.0
114.36745	0.9
115.03905	2.1
119.04911	15.8
119.07047	5.5
121.06484	4.1
123.04432	1.6
127.03881	30.7
131.04933	4.0
131.08553	3.8
135.08064	4.4
137.05954	62.8
145.04935	34.8
145.06154	1.7
147.04399	6.2
147.07635	1.2
148.05060	1.0
149.05945	4.5
149.09612	1.5
161.05930	1.2
163.03886	7.7
163.05992	6.0
163.07538	6.7
175.03941	1.2
179.06917	0.8
181.04979	0.9
181.08542	13.4
187.06017	3.5
193.04945	19.5
205.07042	1.4
207.06441	1.9
210.29573	0.9
227.09116	2.2
245.10143	14.9
284.54916	0.9
337.09274	1.3
465.49677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.28577	0.1
55.01864	0.2
55.05508	1.4
57.03423	0.9
59.04990	2.2
60.64846	0.2
61.02920	0.2
63.02362	0.3
69.03416	3.1
71.04987	0.2
76.56599	0.2
77.03905	0.2
79.05466	0.2
81.03393	5.3
83.04967	1.8
85.02887	3.9
87.04456	0.2
89.03892	3.3
89.67025	0.2
91.05459	1.0
93.06996	0.2
95.04941	0.3
97.02873	2.9
99.04439	0.7
101.06002	1.7
103.05427	0.3
105.03370	2.3
107.04946	0.3
109.02858	2.4
109.06575	0.2
115.03920	0.2
117.03352	17.6
119.04928	0.4
119.07017	0.7
119.08518	0.3
121.06490	0.3
123.04418	0.4
127.03887	1.7
131.04823	0.2
131.08499	0.3
133.06503	0.2
134.03606	0.7
135.04381	1.2
137.05954	1.7
145.02826	66.1
146.03154	0.2
147.04381	2.1
149.04738	0.2
149.05949	7.7
149.09567	0.7
151.07495	0.2
162.03101	0.3
163.03850	0.8
177.05428	100.0
178.05798	1.1
181.08582	0.4
185.03368	0.2
186.05470	0.3
193.04951	0.4
195.06483	1.0
245.10104	0.7
267.08459	0.6
299.11081	0.4
321.09595	3.1
339.10675	6.6
361.89081	0.2
381.51633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.93506	0.3
57.03422	0.3
61.02918	0.4
69.03420	2.9
72.93760	0.2
73.02881	0.2
74.39758	0.2
78.70499	0.1
79.34106	0.2
81.03395	0.8
83.04973	0.3
85.02892	4.7
87.04441	0.2
92.08694	0.3
92.64754	0.2
95.04930	0.2
97.02889	1.6
100.02177	1.0
107.04987	0.2
109.02838	0.3
115.03918	1.5
117.06973	0.2
121.02805	0.2
121.06498	0.2
123.04359	0.1
127.03934	1.2
131.04955	0.2
131.37180	0.2
137.05960	100.0
138.06381	0.4
139.91365	0.2
144.95746	0.2
145.04987	0.7
145.06412	0.2
149.06158	0.3
152.16328	0.1
155.07039	0.2
163.03886	0.3
163.06078	0.2
167.07076	0.3
168.95987	0.2
191.07013	0.3
203.04822	0.2
219.06538	0.2
234.98965	0.2
262.01309	0.2
281.10040	0.2
298.01212	0.2
299.11215	2.5
347.04080	0.3
478.14117	0.3
479.16962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05503	1.3
57.03424	0.9
65.03918	2.3
66.04601	0.5
67.05488	1.2
69.03419	4.9
71.04967	0.7
75.50473	0.5
79.05464	6.8
80.05010	0.7
81.03401	5.6
81.05751	0.8
81.07021	2.1
82.06541	0.9
83.04959	2.4
84.08073	0.6
85.02900	4.6
87.04444	0.6
89.03937	0.7
91.05457	11.7
92.04976	6.6
93.07010	1.3
95.04939	2.5
95.08580	0.7
96.08096	7.4
97.02862	2.4
105.07010	2.1
106.06532	50.2
107.04913	1.0
107.08605	0.7
108.08092	13.7
108.25134	0.6
109.02861	1.3
113.05946	0.8
117.03373	1.1
117.05507	0.5
119.04920	27.1
119.08568	3.0
120.08150	0.8
121.02813	1.1
121.06472	0.5
123.06766	6.0
124.07559	31.5
126.05485	0.5
126.83408	0.5
127.03893	1.9
131.08534	2.8
134.05983	28.9
136.07533	2.6
137.05957	13.3
145.02824	6.3
146.03168	1.2
147.04384	100.0
147.11656	0.8
148.07526	0.8
149.05949	1.2
149.09583	3.3
152.07034	69.4
159.11705	0.7
160.20868	0.6
163.03853	0.7
165.05435	1.3
167.07010	2.1
167.10603	0.8
170.08078	26.4
175.11157	0.6
177.05418	6.7
178.05864	1.0
221.08029	4.3
222.08360	4.5
224.10754	0.8
243.54860	0.6
252.10135	4.3
258.80417	0.6
260.56213	0.6
280.09564	3.0
291.08578	2.8
298.10669	1.0
309.09570	0.8
314.12280	2.2
332.13269	5.0
460.16022	10.3
478.16940	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19262	1.9
55.05504	28.7
56.05814	2.1
57.03420	9.5
57.07064	4.5
65.03896	2.1
67.05491	55.3
67.60083	2.0
68.05824	2.8
69.03396	2.2
69.07053	31.9
71.04974	2.4
75.08246	1.9
79.05480	33.8
80.05806	3.6
81.07037	85.1
82.07368	4.4
83.08606	17.2
91.05459	24.6
93.07014	71.9
94.07323	3.2
95.04950	5.1
95.08582	100.0
96.08919	4.2
97.06524	4.5
97.10152	13.2
101.05988	2.2
105.07012	51.2
107.08580	85.7
107.73591	2.1
108.08956	3.1
109.06520	3.8
109.10152	56.6
111.08071	4.0
117.07001	4.7
119.08554	62.0
120.08922	2.5
121.10117	64.3
123.08052	2.3
123.11707	19.8
125.09596	8.2
129.06950	2.2
131.08543	17.2
133.10117	41.1
135.11670	42.1
136.11995	3.2
137.09618	2.4
137.13237	4.4
143.08560	3.8
145.10080	27.4
146.10423	4.1
147.11639	28.2
149.09595	2.9
149.13232	15.2
157.10133	4.5
159.11652	25.9
161.13220	22.7
163.14839	13.0
165.12733	2.1
171.11649	4.6
173.13239	15.5
175.14771	17.5
177.16386	5.0
179.14328	5.3
185.13217	3.0
187.14832	12.2
189.16396	21.1
191.17894	34.8
193.05283	2.4
193.15891	2.8
199.14774	3.5
201.16408	12.4
203.17882	15.0
207.17439	9.7
215.17955	15.3
217.19615	8.8
227.17998	3.1
233.18953	10.6
241.19551	2.8
253.21570	3.3
316.95016	2.4
335.25815	2.7
336.26196	41.2
405.34875	3.4
423.36276	30.3
441.37000	11.1
477.28912	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	477.3572
Annotation	Oogoniol
Peak:m/z	Relative Intensity
53.03928	1.0
55.01855	4.0
55.05499	11.4
57.03420	0.7
57.07043	2.3
57.40507	0.4
58.13429	0.5
59.12430	0.5
61.20574	0.4
65.03910	0.6
67.05484	12.2
68.99767	2.1
69.03413	9.6
69.07049	16.1
71.04967	0.7
71.08579	0.6
73.06502	0.6
79.05471	13.7
81.07030	24.8
83.04960	6.4
83.08593	8.8
85.06499	0.8
91.05456	10.8
93.06397	0.8
93.07016	46.5
95.04939	3.1
95.08578	48.2
97.06499	10.2
97.10121	2.1
105.07002	29.7
107.08570	54.4
109.06456	3.5
109.10132	26.4
109.10719	0.5
111.08048	15.3
111.11666	0.7
113.09628	0.9
115.07539	2.3
117.06979	4.0
119.08552	35.3
121.06477	6.3
121.10112	84.1
122.10470	0.6
123.08032	3.0
123.11675	10.9
125.06004	0.8
125.09596	15.0
127.07517	0.7
129.07008	1.0
129.09097	0.7
131.08537	12.5
133.10098	29.4
135.08037	2.8
135.11664	27.2
137.09576	1.1
137.13252	2.1
139.07512	19.1
139.11165	8.0
141.06981	0.6
141.09056	0.8
142.07753	1.0
143.08530	7.4
144.09262	1.1
145.10095	21.5
147.04382	1.0
147.08003	0.7
147.11655	23.1
149.09564	6.4
149.13214	11.3
151.11172	1.2
153.09035	0.6
153.12717	0.9
155.08530	3.1
155.10619	1.2
157.08568	7.0
157.10092	11.9
158.10873	1.0
159.08063	0.9
159.11658	28.1
161.09639	0.7
161.13210	17.2
163.11163	0.8
163.14751	5.4
165.12714	0.8
167.10631	11.2
167.14311	0.9
169.10052	3.8
170.10768	1.1
171.11621	11.6
172.12491	0.6
173.13196	12.5
173.14531	0.7
174.13724	0.7
175.11147	2.8
175.14735	6.7
177.12692	5.0
177.16359	0.8
179.14287	0.9
181.12234	0.7
182.10889	0.6
183.11626	6.5
184.12378	0.8
185.13191	11.8
186.14012	1.0
187.14786	17.0
189.12775	0.6
189.16327	7.0
191.14302	2.2
191.17888	2.5
195.11926	1.0
195.13751	11.8
197.13177	5.5
199.14784	9.6
201.16341	31.6
203.14264	2.2
203.17917	27.6
205.12260	0.8
205.15877	3.5
207.17487	0.6
209.13190	2.3
211.14812	6.5
212.15585	0.5
213.14729	1.9
213.16423	12.4
215.14275	3.0
215.17888	4.4
217.15805	2.6
221.15405	0.5
223.13002	3.5
223.15086	0.9
225.16316	3.4
226.17186	1.0
227.17900	12.3
229.19484	1.2
231.17320	0.6
233.15292	29.3
235.16751	1.6
237.16389	0.9
239.17879	4.1
241.19441	1.2
251.16273	15.8
253.19536	4.6
255.21091	3.0
257.22549	5.4
261.18515	0.7
267.20984	2.7
269.17432	2.3
269.22525	20.7
287.20313	0.6
287.23672	1.2
293.22546	0.8
301.21506	0.6
327.23206	6.6
339.22964	0.6
353.24741	1.2
367.26462	0.8
381.27808	1.0
387.17111	0.6
392.62750	0.6
405.31342	3.5
423.32462	31.2
441.33524	100.0
442.34070	0.9
459.34573	12.4
477.28928	1.9
477.35779	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22843	5.8
53.32649	5.9
54.81451	7.0
55.05500	37.7
57.07072	12.5
61.77269	5.9
67.05499	34.4
69.07049	69.6
71.08614	10.9
79.05484	16.4
81.07032	100.0
83.08614	37.1
93.07037	37.3
95.08586	78.7
97.06506	6.7
97.10131	7.2
97.52962	7.3
105.07030	27.3
107.08610	39.0
109.10148	49.9
119.08582	27.2
121.10136	29.1
123.08163	6.6
123.11690	14.7
125.06023	10.5
127.03898	33.2
131.08548	10.0
133.10083	12.5
135.11649	28.3
137.05959	66.6
145.10110	11.2
147.11691	10.0
149.13185	9.9
155.07083	10.2
156.89400	6.7
157.10123	9.7
161.13194	8.4
177.05328	8.2
183.06477	13.6
191.17891	9.6
203.10718	8.9
235.09586	8.7
365.70895	7.0
459.34534	36.6
477.33923	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58208	1.1
51.31291	1.1
53.00286	1.8
53.03935	2.4
55.01862	2.2
55.05268	2.3
55.05507	45.2
57.07063	17.1
60.78366	1.5
63.40770	1.4
64.76042	1.6
67.05492	31.8
67.35584	1.5
69.03416	2.1
69.07053	62.9
71.04958	11.8
71.08601	8.0
79.05478	23.3
81.07040	100.0
82.73301	1.4
83.04951	3.6
83.08594	27.9
85.06513	2.9
85.10141	2.1
91.05446	10.9
92.63856	1.9
93.07021	27.5
95.04946	2.0
95.08009	2.8
95.08586	64.5
97.06476	1.9
97.10114	13.6
99.04449	15.1
105.07021	16.2
107.08571	22.7
109.06493	16.5
109.10148	35.0
111.04409	11.0
111.08098	2.1
111.11699	3.8
111.62775	1.5
111.63671	1.4
119.08549	13.6
121.10130	20.8
123.08031	3.7
123.11677	17.3
125.05955	16.0
127.03909	33.5
129.06984	1.9
131.08510	8.7
133.10097	9.2
135.08034	2.4
135.11678	9.2
137.05957	80.4
137.09622	1.7
137.13205	1.9
141.05469	7.5
142.07700	2.3
143.08556	2.3
144.09306	2.8
145.10072	10.3
147.11681	7.7
148.13461	1.5
149.09567	10.3
149.13235	9.2
151.07518	6.4
153.05347	1.6
155.06999	3.6
157.10095	3.4
159.11646	11.6
161.09534	6.2
161.12978	1.7
163.07431	2.0
163.14816	2.2
167.07019	3.4
173.09561	3.7
173.13251	2.5
175.11122	6.3
175.14862	2.1
177.09077	9.1
183.06506	24.4
185.09534	7.1
185.13165	1.9
187.11049	3.4
188.08260	3.2
189.09044	6.9
191.10678	2.2
203.10631	23.5
205.12212	1.9
207.10092	2.4
213.16335	2.1
217.12192	2.8
235.09578	15.4
275.27246	5.9
333.31680	2.5
381.31210	1.8
383.18661	2.1
399.32501	14.8
403.28357	2.4
417.33554	7.1
430.93423	1.9
441.33426	2.4
459.34540	29.3
477.35455	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	477.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99774	2.8
55.01865	5.1
55.05500	46.2
55.13358	2.9
57.07060	15.6
57.99203	3.3
67.05489	32.1
69.07047	60.6
71.04972	8.9
71.08601	6.6
79.05486	27.3
81.07037	100.0
83.04922	4.6
83.08606	34.7
91.05470	8.6
93.07038	29.8
95.08581	72.3
97.10128	16.1
99.04413	17.0
105.07000	22.6
107.08585	31.6
107.09186	3.6
109.06482	20.0
109.10124	42.2
111.04420	5.2
119.08545	23.3
121.10106	33.3
123.11684	24.2
125.05987	14.2
127.03872	34.6
133.06421	3.9
133.10072	7.9
135.11687	17.6
137.05951	83.2
137.13124	4.0
143.08636	5.5
145.04907	4.1
145.10066	14.6
149.13278	7.2
151.07512	6.0
157.10088	5.7
159.11682	16.7
163.14766	5.8
177.09081	13.3
183.06514	21.9
185.09659	6.0
187.11147	5.1
188.08368	4.4
189.09079	5.7
203.10614	27.8
275.27441	4.6
333.31165	3.9
381.31055	6.7
399.32471	8.3
441.33670	4.6
459.34760	26.2
477.35300	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80776	0.3
55.05492	0.6
65.27617	0.4
67.05475	0.4
69.07055	0.7
79.05479	0.5
81.07040	1.6
92.08664	0.5
93.07005	0.7
95.08576	1.0
98.99891	0.4
105.07012	0.6
107.08585	2.3
109.10184	0.8
114.55647	0.4
119.08573	0.7
121.10117	0.7
135.11647	0.6
145.10071	0.5
145.44104	0.5
159.11700	0.5
161.57936	0.4
191.17938	0.7
477.35449	100.0
478.36023	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.3
57.03423	3.4
57.07060	0.5
59.04985	9.2
63.79835	0.4
66.06470	0.5
67.05484	5.5
67.90166	0.5
69.07037	2.3
71.04974	6.3
73.06509	0.6
75.04497	0.7
79.05469	10.2
81.07034	12.4
83.04974	4.3
83.08589	2.2
85.02885	28.9
85.06522	20.4
87.04446	100.0
91.05457	6.4
93.07017	9.7
95.04938	1.0
95.08585	12.5
99.04436	3.8
105.07003	10.2
107.08570	21.2
109.10148	5.4
111.04414	3.4
111.08073	0.6
114.36951	0.6
115.07558	2.1
117.07007	3.5
119.08562	10.3
120.78580	0.5
121.10125	6.7
121.98466	0.6
123.11693	2.1
129.05444	3.0
129.06978	0.5
131.08527	8.2
133.10106	10.0
135.11676	6.5
143.07014	3.8
143.08533	3.1
145.10106	21.0
147.11658	11.6
149.09613	0.6
149.13243	3.4
151.11182	1.3
155.08571	0.8
157.10097	7.2
158.10667	0.6
159.11678	11.9
161.13214	9.1
163.11168	1.1
163.14790	2.2
165.12794	2.8
169.10097	1.0
171.11621	4.0
173.13199	4.5
175.11195	0.6
175.14815	3.2
177.12640	0.6
183.11641	2.2
185.13254	4.5
187.14774	6.8
189.12785	0.6
189.16330	1.1
191.14246	1.0
197.13136	3.9
199.14845	4.8
201.16359	1.0
203.14191	0.8
205.15933	1.3
211.14815	3.0
213.16335	0.9
215.17899	1.1
225.16368	3.6
235.19098	0.6
239.17923	0.9
241.19418	0.9
244.78944	0.6
253.19447	14.6
255.20973	4.1
260.46857	0.6
271.20462	2.3
281.22574	45.6
299.23618	30.9
317.24625	6.3
371.54648	0.6
431.27789	5.3
459.30783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89643	0.6
53.14931	0.6
53.15189	0.6
54.81815	0.7
55.05497	0.8
57.03415	3.3
57.07063	4.3
59.04991	41.5
65.03917	1.2
65.92172	0.7
67.05490	33.3
69.03418	10.9
69.07040	0.8
71.04977	18.9
73.06526	1.0
75.04433	1.0
79.05452	1.1
81.07055	1.2
81.52889	0.7
85.06528	16.3
87.04450	18.4
93.07044	1.5
95.04948	45.4
101.05975	5.6
105.07045	1.0
107.08559	1.0
113.05987	100.0
121.10150	1.3
133.10094	1.8
145.08574	34.3
145.09785	1.4
147.11723	1.3
151.11241	1.0
159.11580	1.2
171.11682	1.4
173.13257	0.9
192.99541	0.8
279.21042	1.8
289.79193	0.8
297.22076	4.7
315.23166	3.1
333.24231	4.0
394.86237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43414	0.7
54.16580	0.6
55.05488	5.0
57.03416	3.8
57.54310	0.7
59.04983	9.3
66.63223	0.9
67.05483	7.1
69.03406	1.0
69.07038	3.5
71.04973	7.2
72.05604	0.7
72.84103	0.8
73.32324	0.7
75.04456	0.9
79.05460	5.9
81.07025	9.0
83.04952	4.1
85.02419	1.4
85.02885	28.9
85.06521	20.3
87.04442	100.0
91.05459	8.9
93.07014	12.1
95.08579	10.5
96.00515	0.9
99.04427	4.2
105.07008	11.7
107.08568	13.9
109.06548	1.1
109.10130	8.4
111.04401	4.2
115.07566	0.8
117.06978	5.3
119.08553	12.0
121.10108	14.6
123.11674	3.2
129.05428	1.7
129.06958	3.5
131.08533	13.9
133.10100	26.3
135.11665	9.4
137.09560	1.3
141.06952	1.2
143.07019	4.0
143.08542	4.8
145.10080	25.6
147.11691	9.5
149.13220	4.0
151.11156	13.5
155.08583	3.5
157.10098	5.1
159.11665	17.4
161.13193	9.4
163.11118	17.0
163.14795	1.9
169.10106	1.7
171.11607	6.4
173.13213	6.3
175.14763	3.4
183.11682	1.9
185.13153	6.8
187.14731	5.7
189.12712	1.5
197.13194	3.3
199.14786	5.0
203.14360	1.3
211.14792	5.9
213.16382	1.3
215.17964	1.3
225.16377	6.2
229.19583	0.8
239.17880	1.2
241.19443	1.9
253.19452	2.9
255.21066	4.3
271.20541	3.5
273.22116	3.5
281.22537	29.7
281.25470	1.7
297.92117	1.1
299.23596	41.2
317.24741	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
53.18581	1.0
54.79542	1.0
55.01864	5.6
55.05500	5.8
55.64351	1.2
57.03426	10.4
57.07065	1.3
59.04971	1.8
61.02917	11.0
61.27473	1.1
65.03937	1.6
67.05493	13.9
69.03065	2.0
69.03418	36.5
69.07052	2.4
71.04990	14.1
72.62568	1.2
73.02901	5.9
73.19740	1.3
79.05477	19.1
81.03415	17.0
81.07053	13.1
83.04951	1.9
83.08596	1.9
85.02892	86.6
85.06526	30.9
86.09689	2.6
87.04436	5.4
91.03924	3.1
91.05464	21.5
92.08745	2.1
93.07032	26.1
95.04940	2.3
95.08579	15.7
97.02879	33.4
97.06517	1.4
99.04453	6.3
100.78246	1.3
105.06356	2.4
105.07014	43.8
107.08572	61.6
109.02894	10.3
109.06477	3.3
109.10145	8.0
111.08085	1.6
115.03941	2.1
117.07000	14.0
119.08564	24.0
121.10125	8.8
123.08062	2.1
123.11707	2.3
127.03887	14.1
128.06143	2.3
129.06993	5.4
131.08566	32.8
133.10112	19.3
135.11630	5.3
137.09608	2.7
142.07777	5.3
143.08559	20.3
145.02826	1.5
145.04965	5.9
145.10106	54.9
147.11656	25.7
149.13213	1.9
155.08521	6.0
157.10110	25.2
159.11676	28.9
161.13196	13.2
165.12715	3.0
167.07045	1.6
169.10080	8.9
171.11674	14.7
173.13257	8.5
175.14656	1.4
177.05376	1.8
181.04907	6.1
181.10043	1.7
182.10765	1.9
183.11684	8.2
185.13235	12.6
187.11139	2.8
189.12717	17.8
191.14285	2.1
195.11732	4.9
197.13219	12.0
198.13976	2.3
199.14853	7.1
201.12651	2.1
203.14288	30.4
209.13206	6.6
211.14746	2.7
213.16423	10.2
215.14224	10.5
223.14775	10.4
225.16458	3.1
227.17876	10.9
237.16420	1.9
239.17894	9.5
241.15805	2.1
243.17384	1.3
245.10210	1.3
251.17818	1.6
253.19473	10.0
255.21101	2.7
267.11609	1.4
269.18860	3.1
279.20953	16.5
297.22079	100.0
298.22354	1.7
315.23160	32.1
321.12476	1.6
477.23248	3.4
477.28415	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05499	5.7
57.03436	11.2
61.02919	14.3
65.03921	1.0
67.05494	14.5
69.03066	1.5
69.03420	36.4
69.07056	5.2
70.97315	0.9
71.04965	4.6
73.02908	8.0
79.05467	18.6
81.03400	15.5
81.07037	19.2
83.04964	1.4
83.08593	2.0
85.02892	70.0
87.04451	7.4
91.03925	2.2
91.04945	1.7
91.05466	26.3
93.07027	24.4
95.04953	2.4
95.08595	12.6
97.02872	30.7
97.06485	1.0
99.04436	4.1
105.07014	39.9
107.08587	32.0
109.02856	8.8
109.06508	4.3
109.10152	24.9
117.06971	7.0
119.06084	1.2
119.08562	26.9
121.06475	1.4
121.10116	14.2
123.08023	1.6
123.11721	2.1
127.03896	11.9
128.06227	1.0
129.07005	2.4
131.08543	12.1
133.06439	1.0
133.10115	26.2
135.08022	17.0
135.11673	8.7
137.06035	1.0
137.09567	1.2
141.07005	1.6
142.07777	2.2
143.08553	11.8
145.02901	1.5
145.04955	4.4
145.10101	16.7
146.03128	1.8
147.08069	2.0
147.11662	27.7
149.09573	5.1
149.13257	2.3
151.11113	1.5
155.08577	2.4
156.09311	4.3
157.10085	10.2
159.08037	1.3
159.11659	14.2
161.09656	1.2
161.13228	20.9
163.11050	1.4
165.12738	1.0
169.10117	5.5
171.11673	14.8
172.08768	1.5
173.13277	6.4
175.11218	2.0
175.14807	4.2
177.05437	4.3
178.05849	1.6
181.10141	1.5
183.11638	5.3
183.13712	0.9
185.13206	10.9
187.11198	6.2
187.14819	2.1
189.12674	8.1
195.11679	5.2
197.13232	5.5
199.14746	2.1
201.12761	1.5
203.14285	4.1
207.11787	1.1
209.13202	1.7
211.14795	4.3
213.16328	1.7
223.14789	4.5
235.15038	1.1
239.17978	1.5
254.20285	1.1
264.44464	1.1
269.22461	4.6
279.21027	12.6
297.22107	34.8
315.23157	12.3
476.26453	2.1
476.32816	38.2
477.28235	100.0
477.33438	21.9
478.28842	1.1
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
53.03939	5.7
55.01862	20.4
55.05503	81.9
56.34470	2.6
57.03428	33.7
57.07044	4.0
59.20405	2.6
67.05489	68.8
69.03414	15.7
69.07046	28.3
71.04970	3.7
71.08633	3.0
79.05474	70.3
81.03398	100.0
81.07040	79.5
83.04961	15.3
83.08603	43.4
83.37915	2.9
85.02879	14.8
85.06516	7.0
87.04438	15.2
91.05460	61.0
93.07021	68.7
95.04945	56.5
95.08586	45.9
95.22082	3.1
97.06499	5.4
97.10155	42.3
98.97563	6.1
105.07007	60.6
107.04929	38.5
107.08571	31.8
109.06485	13.3
109.10130	27.5
111.04353	3.5
111.08097	12.7
113.06044	3.4
114.52763	3.1
116.98630	5.3
117.06976	23.3
119.08569	42.5
121.06472	38.0
121.10115	16.9
123.08022	7.8
123.11723	4.4
125.09604	27.8
128.06168	5.5
129.06973	34.1
131.04910	6.0
131.08556	44.9
133.06470	16.0
133.10110	23.0
135.07944	11.9
135.11630	14.2
137.09634	4.2
141.06984	14.1
142.07748	4.4
143.08560	14.0
145.06482	29.6
145.10098	27.4
147.08026	15.3
147.11681	21.4
149.02379	4.2
149.09593	13.8
149.13266	4.2
155.08543	13.5
157.10115	22.2
159.08029	5.2
159.11696	19.2
161.05934	4.7
161.09584	5.6
161.13309	5.5
165.09148	7.2
169.10115	7.1
171.11615	13.3
173.09589	6.5
175.07536	4.7
175.11133	8.1
183.11649	7.8
185.09639	5.6
185.13249	4.4
187.11191	4.3
193.12202	22.7
197.13185	4.7
199.11093	5.1
199.14661	3.9
209.13200	4.1
213.12717	5.5
227.12630	6.9
231.13824	5.5
233.15312	7.3
267.15872	64.2
273.14752	5.7
297.21964	7.3
315.23361	5.8
323.20114	3.5
337.21310	7.8
339.22971	4.5
341.21130	24.2
355.22623	5.6
357.23969	5.7
367.22577	17.9
373.23792	4.9
385.23703	26.6
403.24637	14.4
415.24554	5.9
433.25705	51.4
435.28687	3.4
455.43494	3.5
459.27292	81.7
477.28583	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01865	1.7
55.05494	8.6
57.03423	5.5
61.02913	5.4
61.14741	1.2
67.05494	17.1
69.03413	21.5
69.07066	8.6
71.01316	1.2
71.05013	1.3
73.02887	4.5
79.05472	15.3
81.03391	8.8
81.07040	24.3
83.04964	10.8
83.08595	2.6
84.06357	1.1
85.02891	47.2
85.06541	2.2
87.04448	2.0
91.05447	14.8
92.08658	1.6
93.07024	28.8
95.04945	6.5
95.08588	36.6
97.02853	15.2
97.06508	36.2
99.04424	2.0
105.07018	30.4
107.08584	21.9
109.02861	5.6
109.06502	45.6
109.10136	13.6
117.06995	8.4
119.08574	24.8
120.03986	1.2
121.06503	6.5
121.10104	27.8
123.08042	41.4
123.11716	2.9
127.03905	8.0
129.06955	4.7
131.04897	1.1
131.08545	26.4
133.06491	1.8
133.10091	23.9
135.08066	8.9
135.11629	9.3
137.09624	1.4
141.06990	1.6
142.07787	2.0
143.08534	16.8
144.09349	1.9
145.04976	4.8
145.10104	25.0
147.08035	2.7
147.11688	18.3
148.12032	2.7
149.09613	7.7
149.13210	5.7
151.11150	1.2
155.07411	1.1
155.08556	8.3
156.09312	2.8
157.10120	10.2
159.07999	2.3
159.11658	21.5
161.09595	4.6
161.13203	10.7
163.11142	4.4
165.09108	1.2
167.08519	2.8
168.09309	2.1
169.10109	9.1
171.11636	16.9
173.09540	10.8
173.13226	31.6
175.11180	7.5
175.14793	6.7
177.12810	2.4
179.08574	2.1
181.10135	6.4
183.11632	11.4
185.13275	12.3
187.11127	1.6
187.14784	5.5
189.12741	4.9
193.10095	1.3
195.11650	3.0
196.12430	1.4
197.13252	8.0
199.14760	6.8
199.78473	1.3
201.12708	9.6
201.16299	7.7
203.14313	7.4
207.11737	2.3
209.13269	8.2
211.14876	2.2
213.12854	2.1
213.16376	2.8
215.14348	2.4
215.17970	1.8
217.15788	1.8
221.13257	1.9
222.14079	2.1
223.14807	7.9
227.14354	2.9
227.17807	1.5
235.14587	2.8
237.16415	1.7
239.17902	5.9
241.15892	1.2
249.16289	2.8
250.17181	1.6
251.18120	4.5
253.19476	10.5
255.17700	1.2
255.21085	8.2
265.15814	4.9
269.18784	1.7
271.20502	5.0
271.62390	1.2
279.21021	23.4
295.20578	1.2
297.22064	100.0
309.18420	6.0
315.23126	61.3
315.26846	1.9
327.19461	5.0
339.22830	1.2
345.20383	9.6
459.27576	2.0
477.28189	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	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
54.06200	1.0
55.01871	1.8
55.05511	7.6
56.21867	0.8
57.03429	2.6
58.82228	0.9
61.02918	6.4
67.05490	13.4
69.03415	18.3
69.07067	5.5
71.04967	1.7
73.02911	4.1
79.05476	13.9
81.03391	8.8
81.07036	23.2
82.62128	1.1
83.04957	15.4
83.08578	1.6
85.02882	46.7
87.04436	4.3
91.03933	1.3
91.05453	11.3
92.08954	3.2
93.07027	22.9
95.04928	1.7
95.08573	33.0
97.02869	17.0
97.03405	1.3
97.06506	46.5
97.07108	1.7
99.04447	1.9
105.07003	26.8
105.07647	1.3
107.04980	1.2
107.08570	18.2
109.02873	5.1
109.06501	41.5
109.10152	9.3
115.05478	1.7
117.07013	9.1
117.37617	1.1
119.08573	25.4
121.06506	9.2
121.10121	26.2
123.08039	47.6
123.08910	2.1
123.11691	1.9
127.03875	10.7
128.06142	1.3
129.06981	8.0
131.08543	20.7
133.06493	2.0
133.10085	16.6
135.08035	1.6
135.11670	7.6
142.07750	1.4
143.08505	15.1
144.09317	1.3
145.04948	5.5
145.10083	22.0
147.08118	4.2
147.11655	15.0
149.09644	7.4
149.13272	2.0
155.08534	5.2
156.09322	2.3
157.10121	12.7
159.08084	1.5
159.11652	19.9
161.09636	6.4
161.13181	9.6
163.11218	2.3
163.14821	1.7
167.08548	2.2
169.10040	7.8
171.11641	18.5
173.09619	10.3
173.13213	32.8
175.11205	6.3
175.14822	6.9
177.12738	2.5
181.10104	6.9
183.11635	8.9
185.13193	10.1
187.11171	1.1
187.14853	7.4
189.12781	4.2
189.16330	2.4
195.11681	5.1
197.13174	9.2
199.14842	7.2
201.12758	6.0
201.16293	7.9
203.14345	7.4
207.11795	2.0
209.13225	5.6
211.14842	5.0
213.12662	1.3
213.16219	3.2
215.14331	1.7
215.18063	1.9
223.14844	6.9
225.16389	2.0
227.14397	2.0
227.17921	2.3
235.14696	3.8
237.16408	6.0
239.18001	6.5
249.16406	2.3
251.17967	6.0
253.19479	7.5
255.21097	5.7
256.49301	1.1
264.18835	1.3
269.19043	4.2
271.20465	9.3
279.21011	23.7
295.20508	5.0
297.22052	100.0
315.23117	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	477.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74326	1.3
62.62227	1.3
65.45024	1.4
67.91031	1.7
69.03400	2.7
72.17719	2.0
85.02881	3.4
92.08829	7.9
97.02905	2.9
163.03871	7.2
182.05113	1.6
197.05948	1.8
477.13593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27896	0.4
54.81304	0.4
57.09920	0.3
62.09861	0.3
62.76901	0.3
68.59347	0.4
71.04968	0.4
85.02885	1.5
96.03034	0.3
97.02908	0.5
115.15266	0.4
123.05551	0.5
135.45105	0.4
183.06746	0.4
295.21588	0.5
345.11606	1.5
347.69275	0.4
415.15750	1.9
417.13391	0.6
433.16510	3.3
477.15686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34536	0.8
53.03926	1.0
55.01875	1.0
55.05499	3.8
56.74254	0.9
57.03420	5.2
59.04988	1.0
61.02914	5.7
67.05490	7.5
67.13256	0.8
69.03413	11.8
69.07054	1.8
71.04974	5.6
73.02898	1.2
79.05484	8.0
81.03419	6.7
81.03797	0.9
81.07035	30.3
83.04990	1.3
83.08605	2.0
85.02891	35.3
85.06526	31.7
87.04476	1.1
91.05455	8.7
92.08643	1.2
92.09152	2.9
93.07018	12.8
95.04948	1.4
95.08583	15.6
97.02876	11.0
97.06507	6.0
99.04431	1.3
105.07013	17.0
107.08569	14.3
109.02841	3.9
109.06500	1.1
109.10160	6.2
111.08074	1.7
113.09640	1.0
117.06999	5.8
119.08564	12.1
121.10131	7.0
123.08041	1.0
123.11734	1.3
127.03890	5.6
129.07008	4.5
131.04858	1.0
131.08539	25.2
133.10109	9.0
135.08087	1.0
135.11674	4.3
137.09602	3.4
141.06996	1.6
142.07756	1.6
143.08546	14.1
144.09351	1.3
145.04922	3.5
145.10106	17.8
147.11665	9.1
148.11926	1.5
152.35600	0.8
155.08549	6.6
156.09312	1.3
157.10092	24.0
159.11670	29.6
161.13213	3.8
163.11172	1.8
165.09105	1.9
165.87534	1.0
167.08578	1.2
169.10120	8.1
171.11659	16.1
173.13193	10.1
175.11182	1.2
175.14778	1.4
181.10059	5.5
182.10815	1.6
182.55750	0.8
183.11620	12.4
185.13232	9.8
187.11064	1.2
187.14734	1.4
189.12819	2.0
194.10817	1.0
194.56549	0.9
195.11678	7.2
196.12471	1.0
197.13200	14.6
199.14783	7.2
201.16336	1.0
203.14253	1.2
208.12469	1.1
209.13187	8.6
211.14813	5.5
213.16335	5.9
215.14285	14.8
217.16010	1.3
222.13991	1.4
223.14758	15.6
225.16287	1.1
227.14285	1.3
227.17903	4.2
229.15860	4.5
235.14873	1.1
237.16379	4.6
239.17839	7.8
241.15900	4.2
251.17908	3.6
253.19435	7.8
255.17323	3.4
255.21100	3.8
279.21054	21.2
283.20618	1.5
297.22064	100.0
315.23151	17.0
387.26544	0.9
442.81088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73227	1.8
53.13846	1.9
55.05508	15.8
57.07063	4.4
58.24160	1.9
64.32885	2.8
67.05487	10.2
69.07053	17.8
79.04860	2.2
79.05482	5.5
81.07037	23.6
83.08613	14.3
91.05445	4.0
93.07022	34.8
95.08591	44.1
97.10182	4.5
105.07029	15.4
107.08579	42.9
109.06478	2.6
109.10157	25.6
110.10554	2.3
110.73798	2.7
111.08061	3.7
119.08547	28.9
121.10131	34.4
123.11678	4.9
131.08582	4.5
133.10146	16.0
135.11696	33.4
137.13249	2.6
139.11179	3.6
143.08534	2.9
145.10129	17.6
147.11668	19.8
149.13242	10.6
153.12724	4.1
157.10072	2.3
159.11678	26.0
161.13203	12.5
163.14818	24.8
173.13268	9.5
175.14825	9.7
177.16440	4.0
179.14374	3.7
181.15947	18.0
185.13251	3.1
187.14818	14.3
189.16357	9.8
191.17961	8.0
199.14857	3.9
201.16333	32.1
203.17943	30.4
213.16377	3.5
214.13312	2.4
215.17978	2.7
219.17410	38.5
227.17950	9.4
229.19455	3.1
237.18483	15.1
247.20609	3.3
253.19714	3.6
267.20999	4.5
283.23999	4.6
391.33661	13.1
409.34573	100.0
427.35648	37.8
441.33755	22.3
445.36682	95.4
445.41217	2.3
459.34244	14.7
468.29282	2.6
476.40915	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.9
55.85384	3.9
57.07058	4.6
65.85947	3.4
67.05496	32.4
69.07051	32.4
71.04980	7.6
79.05065	4.0
79.05473	45.7
81.07040	54.1
88.80939	3.7
89.03891	4.5
90.68563	3.5
91.05453	40.0
92.08549	3.8
92.09122	18.6
93.07013	60.4
95.08601	54.7
103.05399	4.7
105.07019	100.0
107.08574	65.1
109.10149	39.5
119.08566	34.2
121.10110	36.1
123.11679	9.4
130.07819	4.9
131.08527	8.5
133.06473	38.6
133.10097	28.6
135.08044	62.1
135.11664	26.2
145.10092	16.4
147.11682	19.5
149.13203	20.9
151.07530	19.9
159.11700	8.1
161.13203	6.4
175.14795	5.7
176.03894	4.0
177.16417	4.4
198.12776	7.1
279.17709	20.6
285.74121	4.7
298.60086	4.1
349.46747	6.4
370.46375	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	476.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	18.1
64.94923	3.9
67.05487	20.1
67.39700	4.0
69.07045	33.5
79.05484	17.7
81.07035	49.7
83.08591	7.8
85.06516	7.6
91.05457	21.7
92.02941	3.5
93.07018	56.9
95.04966	4.8
95.08591	89.4
97.10159	4.3
105.07021	39.4
107.08591	86.1
109.10139	42.9
111.64919	3.9
119.08548	70.1
121.10110	100.0
123.08021	4.8
123.11681	22.9
131.08553	5.4
133.10100	57.7
135.11652	69.0
137.13213	5.3
145.10075	22.2
147.11656	37.2
149.13258	18.3
159.11664	20.0
161.13187	25.2
162.13606	4.3
163.14754	6.8
173.13155	7.8
175.14792	28.0
177.12715	6.2
177.16335	60.7
177.49838	4.0
187.14771	4.1
189.16335	53.5
191.17926	41.3
197.44598	4.2
201.16373	24.0
203.17915	78.1
215.17862	7.4
217.19403	5.7
233.18994	51.4
251.20012	17.8
405.35168	4.6
423.35886	19.5
441.37286	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05498	22.1
57.07056	9.8
59.04992	2.1
60.81151	1.9
67.05494	30.9
67.42977	2.0
69.07058	22.6
71.04984	2.6
72.23067	2.3
77.81392	2.0
79.05482	22.6
81.07037	56.1
83.04929	3.3
83.08599	12.7
85.06503	7.9
91.05468	27.3
93.07027	67.3
94.07346	3.2
95.04948	2.9
95.08586	82.7
97.06519	15.9
97.10107	4.7
99.08054	3.4
105.07011	46.6
107.08582	100.0
108.08896	4.1
109.06499	8.7
109.10147	39.1
110.10448	2.3
111.08053	8.2
113.05998	10.7
117.06988	3.6
119.04955	2.1
119.08559	71.5
121.10121	77.6
123.08006	5.1
123.11709	22.3
125.09595	3.7
129.06908	4.1
131.08531	32.2
133.10104	52.7
135.08061	20.2
135.11688	46.8
137.09599	5.0
137.13223	5.0
138.20746	2.3
143.08534	11.2
145.10106	32.9
147.04404	8.8
147.11655	38.7
149.09604	8.5
149.13225	22.0
151.07558	5.1
151.11159	4.2
157.10063	20.5
159.07930	2.7
159.11661	32.3
161.09604	4.9
161.13278	15.4
163.14807	13.9
167.10664	2.3
169.10097	9.7
171.11642	16.8
173.13214	25.8
175.11171	3.6
175.14780	23.3
177.12605	8.2
177.16342	5.2
179.14227	3.2
183.11687	13.9
185.13239	10.4
187.14803	18.6
189.12680	3.9
189.16290	20.6
191.14310	5.4
191.17885	14.0
197.13275	8.3
199.14751	4.0
201.12686	10.6
201.16328	9.6
203.14322	3.4
203.17960	14.0
205.15851	4.8
207.17395	10.9
211.14758	2.5
213.16310	3.3
215.14299	4.6
215.17918	12.0
217.16064	4.0
217.19537	3.6
219.13696	11.3
223.14851	2.4
225.16298	2.9
229.19421	4.1
233.15358	3.0
243.17378	2.6
261.18344	2.9
269.18750	2.7
271.20456	3.9
276.99246	2.1
277.21606	4.6
313.22369	2.4
397.30496	3.1
405.31390	30.0
413.34048	4.0
423.32455	46.9
434.64014	2.4
441.33627	65.0
458.37161	4.6
459.34772	4.0
476.37137	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	476.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	2.1
54.93996	2.3
55.01880	2.4
55.05505	18.4
57.03419	2.3
57.07068	4.7
57.23842	2.3
59.63316	2.2
67.05495	35.2
69.07053	32.2
71.04967	3.1
79.05476	28.3
81.07047	54.9
83.04971	11.0
83.08609	14.5
85.06516	11.2
91.05457	31.2
92.08875	14.5
93.07028	74.0
95.04975	4.4
95.08588	76.7
97.06502	9.6
97.10152	5.5
105.07018	64.3
106.97665	3.2
107.08582	100.0
109.06541	9.3
109.10139	43.8
111.08088	5.1
113.06020	3.4
117.07023	11.6
119.04935	5.3
119.06815	2.5
119.08556	89.7
121.06497	4.8
121.10123	97.3
123.08037	5.5
123.11702	24.2
129.06981	3.4
131.08553	38.1
133.10104	64.3
135.08040	18.7
135.11673	58.2
137.09612	4.9
137.13255	4.9
143.08546	12.0
144.09235	2.9
145.10109	44.0
147.04391	24.6
147.08098	4.1
147.11684	43.0
149.09607	15.9
149.13214	28.9
155.08536	3.1
156.09294	3.6
157.10098	18.4
159.11711	38.9
161.09663	11.0
161.13243	27.1
163.11189	3.7
163.14729	22.9
169.10106	3.1
171.11688	18.5
173.13242	32.6
175.11179	4.2
175.14771	30.7
177.12761	4.9
177.16380	5.7
179.14267	4.2
183.11659	13.0
185.13242	15.5
187.14845	24.6
189.12704	3.2
189.16335	35.6
191.14268	12.6
191.17944	21.9
197.13269	3.8
197.86624	3.3
198.55064	2.7
199.14748	10.5
201.12772	4.4
201.16415	16.5
203.17947	16.6
205.15897	11.1
207.13966	3.0
207.17398	35.7
213.16368	11.7
215.14290	6.6
215.17928	11.2
217.15738	5.1
217.19679	5.0
219.13831	11.6
225.16396	4.5
227.17949	4.5
229.19518	4.7
233.15149	5.3
241.19577	5.0
243.17509	3.3
243.20975	3.1
269.22531	4.9
277.21664	14.3
327.23465	3.3
377.32193	4.2
378.92938	2.9
387.30350	4.8
405.31351	18.6
413.34088	37.3
423.32513	54.0
440.35135	4.2
441.33560	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20233	1.9
55.68456	1.9
64.26151	1.6
67.05460	2.4
69.07058	4.4
79.05481	20.5
81.07032	11.9
82.07346	2.0
91.05464	43.5
93.06998	3.8
94.42803	1.8
95.08567	8.1
103.05431	9.6
105.07013	100.0
107.08597	9.2
109.10128	7.8
119.08564	3.1
121.10073	4.1
124.71522	1.8
133.06474	56.5
135.08031	88.4
135.11697	2.0
145.10185	2.7
151.07538	19.2
198.12764	18.2
219.10017	1.8
223.75841	2.4
279.17715	31.3
348.64566	2.0
361.72336	2.1
459.38083	3.2
466.24722	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15281	0.5
53.00281	0.4
53.03938	0.5
53.58309	0.4
53.73099	0.4
55.05504	15.4
57.03175	0.7
57.03429	14.1
57.07058	2.1
65.03928	1.1
67.05493	46.5
69.06716	0.8
69.07055	14.0
71.04965	2.1
72.26088	0.5
75.56570	0.5
79.05476	26.2
81.07037	42.7
83.04964	1.3
83.08612	4.2
85.06523	2.1
90.85529	0.4
91.05462	13.2
93.07023	29.6
95.04941	3.3
95.08585	36.0
95.09198	1.2
97.06482	1.1
97.10150	2.1
98.98460	0.5
99.04452	0.6
99.06718	0.5
101.59852	0.6
105.07023	8.6
107.08577	16.6
109.06504	0.7
109.10134	12.1
111.08039	0.9
117.07001	2.7
119.08553	9.3
121.10123	11.1
123.08020	0.7
123.11700	4.2
125.09558	0.6
131.08574	5.0
133.10098	5.6
135.11655	7.5
137.09604	1.0
143.08591	0.8
145.10062	4.5
147.11597	3.9
149.09601	0.9
149.13220	2.6
150.01434	0.5
159.11653	3.0
161.13170	3.6
163.03815	0.8
163.14780	2.1
169.10109	0.5
171.11620	1.2
173.13232	3.0
181.27304	0.5
185.13205	0.6
187.14838	2.3
188.06665	0.5
189.16348	2.0
191.17871	0.7
194.56506	0.5
201.16312	0.7
207.17537	0.8
210.94911	0.6
216.06433	0.6
217.12206	0.7
247.14281	0.5
304.26239	1.2
335.25739	100.0
373.88156	0.5
421.30670	0.6
423.32663	2.1
441.33862	1.1
458.33386	0.8
458.63913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15155	0.6
53.00293	0.9
53.03941	0.7
55.01856	3.0
55.05484	1.1
57.03139	0.8
57.03425	38.9
59.04985	8.5
60.04500	3.5
61.02907	3.8
69.03413	100.0
69.39522	0.7
71.04960	1.0
73.02891	1.7
75.04446	5.8
79.05478	0.8
81.03393	4.8
81.07066	1.0
85.02886	85.0
86.09689	1.2
87.04448	63.8
91.03949	0.9
91.05455	0.7
92.08698	1.5
92.09231	2.5
95.08610	0.8
97.02866	69.3
99.04416	1.6
105.07020	9.3
109.02863	2.9
109.06468	0.9
111.04489	0.8
115.03906	60.6
124.05173	15.6
126.05508	0.7
127.03886	6.5
129.06990	1.7
133.04941	61.2
133.06410	8.3
137.04985	1.2
137.05954	19.5
139.00673	0.7
144.06592	1.1
145.04935	7.1
145.06488	1.0
150.07610	7.2
157.06419	0.8
162.07661	0.9
163.05997	0.8
165.09067	30.2
170.69585	0.8
177.09102	1.2
189.09076	2.8
190.06200	3.1
201.09045	3.8
207.10199	2.8
221.08055	6.9
229.17522	0.7
231.10098	2.8
241.06944	1.5
243.10150	1.4
243.51886	0.8
259.08066	4.0
277.09000	1.1
292.45242	0.8
295.10153	1.1
369.15045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.2
53.33879	0.2
55.01852	0.2
57.03402	0.2
59.04970	0.2
61.94522	0.2
65.51304	0.2
67.05479	0.3
69.03418	1.6
71.04965	0.2
73.02895	0.2
81.03406	1.0
81.38167	0.2
82.03749	0.3
82.06545	0.5
83.71597	0.2
85.02893	1.7
86.09673	0.3
87.04445	0.3
89.02244	0.3
89.03882	2.6
90.04216	0.3
91.05451	1.0
93.07004	0.4
95.04943	0.3
97.02853	0.9
98.97543	0.2
99.04414	0.3
109.02844	0.3
112.60589	0.2
113.04189	0.3
115.03848	0.4
117.02513	0.4
117.03349	12.4
117.06985	0.3
118.03693	2.3
119.04877	1.1
121.06460	0.4
134.03572	1.7
135.04378	1.2
137.05908	0.3
142.08615	4.2
145.02818	55.6
146.03151	8.2
147.04384	3.7
147.08035	0.3
148.04857	0.2
149.05959	5.3
150.06291	1.0
155.68172	0.2
162.03090	0.5
163.03903	0.4
163.73363	0.2
164.06966	0.3
164.92438	0.2
165.09044	0.4
177.05421	55.4
178.05766	10.4
193.04935	0.4
205.03534	0.4
206.03764	0.4
206.05687	7.6
207.02986	2.1
221.08038	100.0
223.05984	1.1
240.51369	0.2
297.09589	0.3
314.23044	0.3
321.09344	0.4
322.09787	0.4
339.10638	0.3
340.10812	0.8
376.44449	0.2
405.47943	0.3
417.15326	10.7
476.22888	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	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
53.60955	1.7
55.01854	3.6
55.05500	34.5
56.60151	1.9
57.03418	10.8
57.07043	2.2
62.06077	40.1
67.05139	3.6
67.05488	71.6
69.07046	34.9
71.04990	2.0
73.08392	1.6
75.87381	1.9
79.05468	44.6
79.75224	1.8
81.07041	68.7
83.08612	19.8
85.06535	3.8
91.05453	27.5
92.50327	2.2
93.07018	66.6
95.04923	9.0
95.08585	67.3
97.06508	5.2
97.10143	14.0
98.98434	21.1
99.08068	53.0
105.07007	34.8
107.08577	53.1
108.08938	2.5
109.06530	4.2
109.10143	38.8
109.72542	2.1
111.08044	5.0
117.07059	4.1
119.08566	38.3
120.61806	2.2
121.06448	2.2
121.10122	43.7
123.08028	4.8
123.11684	9.4
124.01594	3.8
125.09598	8.2
127.07519	19.8
128.64575	2.2
131.08549	19.0
133.10100	28.3
135.08006	2.6
135.11650	25.5
137.13225	2.6
143.08548	3.1
145.10120	19.1
147.08072	3.0
147.11639	19.1
149.13199	12.6
155.01042	3.4
157.10063	5.1
159.11635	17.1
161.09567	2.8
161.13300	15.5
163.11119	2.1
163.14767	4.4
171.11629	8.4
173.13251	10.6
175.14732	8.5
175.31975	2.2
177.16313	3.0
185.13202	4.0
186.14229	2.1
187.14804	10.7
189.11192	5.0
189.12703	2.5
189.16367	10.6
190.16678	3.0
191.17908	4.3
197.13251	3.1
201.16417	4.4
203.17867	3.2
207.17574	3.1
216.06323	3.5
219.13669	2.7
233.15205	2.4
259.59747	2.4
261.22086	7.7
279.23212	2.7
304.26236	13.8
335.25735	100.0
339.42581	2.4
423.31891	4.3
439.32123	2.7
440.32315	5.1
441.33807	26.7
458.26285	13.6
458.32608	5.9
476.27692	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	476.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.58467	0.7
54.65645	0.7
55.01860	3.4
55.05491	0.9
57.03423	3.5
59.04989	23.1
59.30427	0.8
61.02896	2.2
67.05469	1.1
69.03410	17.7
70.06564	1.3
71.04966	1.2
79.05470	6.7
80.79294	0.8
81.03401	14.1
81.07030	1.5
83.04942	0.9
85.02412	1.7
85.02885	25.5
86.09679	1.0
87.04005	1.2
87.04456	19.6
89.03883	2.2
91.05438	5.1
95.04920	1.9
97.02867	34.8
99.04429	2.0
103.05466	6.8
105.05490	4.2
105.07007	70.4
107.04919	3.3
108.04452	5.7
109.02855	8.6
109.06435	1.0
115.03896	1.7
115.05415	12.2
117.03355	15.2
118.04216	1.8
119.04898	1.2
121.06479	2.1
121.10142	1.9
123.04409	1.0
127.03908	15.8
131.04935	1.6
133.06461	67.9
142.08591	1.1
143.05983	7.7
145.02831	42.0
145.04845	7.0
145.10109	1.9
146.03145	14.2
146.10495	1.2
147.08058	3.9
149.05975	7.1
150.06288	1.8
161.05946	100.0
163.11147	4.9
164.11638	1.1
165.09081	8.3
167.06981	1.7
173.05893	0.9
177.05426	48.0
178.05777	22.0
181.12175	4.0
182.12543	1.2
193.08569	54.6
206.05728	1.3
221.08057	17.1
231.08559	3.6
233.08032	1.5
307.62909	0.9
322.09894	1.1
339.10532	0.9
340.10901	1.1
374.41580	1.0
476.22818	6.8
477.18991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3417
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
55.05500	5.3
56.96546	1.8
61.65778	0.9
67.05486	10.8
69.03445	1.1
69.07057	6.1
71.39296	1.1
79.05472	7.2
81.07037	40.8
83.08595	2.1
85.06544	1.2
91.05456	2.4
93.07012	12.2
95.08582	37.1
98.97567	1.9
105.06996	11.5
107.08582	20.0
109.06506	2.2
109.10151	20.1
111.08098	1.3
119.08548	17.8
121.06447	1.6
121.10102	15.3
123.08062	2.7
123.11683	5.1
125.09602	1.7
129.07002	1.3
131.08549	6.7
133.10089	11.2
134.99655	2.8
135.11662	14.3
137.09608	1.5
137.13272	7.9
143.08560	2.6
145.10110	11.4
146.73419	1.0
147.08023	2.2
147.11664	9.2
149.09624	1.3
149.13249	5.2
151.11116	1.2
157.10063	4.6
159.11699	7.9
161.09604	1.5
161.13261	5.7
163.11203	1.9
163.14679	1.7
169.10075	1.7
171.11671	2.6
173.09572	1.3
173.13257	7.2
175.14787	5.1
177.16360	1.6
185.13274	2.7
187.14836	4.3
189.12695	4.2
189.16415	5.4
191.14124	1.5
197.13239	1.3
199.14850	1.6
201.16396	2.7
203.14301	1.8
207.17303	1.3
209.13414	1.3
211.14726	1.7
213.16310	2.2
215.17957	1.9
217.12170	2.5
219.17427	4.2
227.17853	5.1
229.15860	1.2
229.19519	5.2
231.13783	1.4
231.17374	1.4
239.17885	1.4
241.19456	2.3
259.20563	1.3
309.25858	1.4
365.31995	2.3
367.18417	1.2
393.31516	15.3
408.21243	1.9
410.22824	2.4
411.32474	100.0
412.32822	1.3
429.33545	57.3
434.22739	4.6
439.31961	1.3
444.79999	1.3
452.23965	15.5
457.33041	2.8
475.34448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01861	3.0
57.03421	3.9
58.29317	0.7
59.04713	1.2
59.04989	26.2
61.02907	1.2
69.03411	21.6
70.03748	0.9
70.06582	0.8
71.04985	1.6
79.05470	7.4
81.03400	16.5
83.04975	1.0
85.02886	22.6
86.09728	1.0
87.04446	17.0
89.03900	3.4
91.05453	5.0
92.09180	3.6
92.64820	0.9
95.04922	1.8
97.02866	28.6
98.06030	0.7
99.04432	4.7
99.05050	0.8
103.05439	5.8
105.03394	0.9
105.05506	4.8
105.07007	67.2
107.04932	4.6
107.08575	1.2
108.04460	6.5
109.02846	8.4
109.10098	0.7
115.03921	1.4
115.05448	12.9
117.03355	11.4
117.07037	0.9
118.03581	1.1
118.04242	1.5
119.04880	1.2
121.06522	3.0
121.10138	5.4
127.03878	15.1
129.06926	1.0
131.04887	1.2
133.04958	2.5
133.06464	68.6
135.11714	1.1
137.06073	0.8
143.05006	1.4
143.05923	6.1
145.02823	36.5
145.04846	7.0
145.10085	1.5
146.03134	13.0
147.08022	4.6
149.05974	5.9
161.05940	100.0
163.11140	4.0
164.11493	1.5
165.09065	7.8
177.05421	41.1
177.10515	0.9
178.05771	18.1
181.12154	6.0
182.12570	0.9
193.08566	53.2
206.05777	1.1
211.01314	0.9
221.08023	13.4
231.08620	3.7
233.07962	1.4
247.26442	0.8
279.41568	0.8
288.34567	0.9
322.10129	1.3
476.22491	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	475.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
57.03422	0.5
61.02905	0.3
63.02356	0.2
67.05487	0.2
69.03404	2.7
71.04965	0.3
75.49340	0.3
81.03394	4.0
85.02871	2.5
87.04435	0.5
89.03358	0.5
89.03890	6.8
95.04975	0.7
97.02847	1.1
99.04430	0.4
101.05986	0.4
106.58349	0.3
109.02890	1.1
115.03919	1.1
117.03354	26.5
127.03911	0.4
133.05009	0.3
134.03590	1.8
135.04373	1.6
145.02823	80.5
145.10065	0.4
146.03239	0.3
149.05948	9.1
163.03905	0.4
163.11165	1.2
168.58766	0.2
177.05426	100.0
179.05270	0.3
181.12334	0.3
186.05510	0.4
195.06493	1.1
204.09248	0.3
321.09613	3.4
339.06982	0.3
339.10651	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	475.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18395	0.3
54.06194	0.3
54.40561	0.3
57.03423	0.4
69.03415	2.6
69.07050	0.3
70.06573	0.4
71.04953	0.6
72.08128	0.5
83.33440	0.3
84.08145	0.4
84.73773	0.3
85.02894	2.5
87.04459	1.2
95.04942	0.4
97.02865	1.6
98.97549	1.4
102.96799	0.3
105.06988	0.5
111.39795	0.4
115.38865	0.3
116.98606	0.6
119.04937	0.7
133.10141	0.4
140.66455	0.3
145.72635	0.3
147.04413	0.5
165.05415	0.6
181.08182	0.4
289.11240	0.4
317.08463	1.3
335.09421	1.3
343.13657	3.0
431.18909	0.8
475.17776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05499	0.8
57.03428	6.1
58.10174	0.5
59.04969	0.9
59.09489	0.4
59.35675	0.4
65.03914	0.5
67.05486	0.5
67.99587	0.3
69.03078	0.8
69.03423	20.9
69.27145	0.4
70.32677	0.4
71.04974	0.8
72.08126	0.9
75.04439	0.8
79.05434	1.6
81.03413	3.5
81.07054	3.3
83.04977	1.8
85.02422	0.7
85.02895	14.1
86.09673	0.8
87.04451	9.3
87.04928	0.8
90.81498	0.4
91.05455	10.8
93.07028	5.2
95.04945	7.1
95.08583	0.7
97.02879	10.6
99.04420	1.0
105.07008	4.0
107.08569	4.0
109.02875	0.9
109.06506	0.8
115.03897	7.4
117.06976	1.0
119.04924	22.3
119.08551	1.6
121.06490	1.8
121.10120	4.2
123.04424	0.5
123.08013	0.7
125.06004	0.5
126.05539	0.5
127.03864	1.7
130.07797	1.0
133.04961	7.2
133.10092	0.7
135.11696	3.3
137.05969	0.9
145.02826	2.2
145.05009	0.8
145.10118	7.6
146.06013	0.6
147.04395	100.0
148.04713	0.5
149.05925	0.7
161.64407	0.5
163.03918	0.6
163.07449	0.7
163.11160	18.6
165.05446	2.0
165.12750	1.0
167.06943	0.9
167.52631	0.5
177.05455	3.8
181.08398	1.6
181.12251	2.0
182.15022	0.5
201.03647	0.4
223.13300	2.7
224.13011	0.4
251.74184	0.5
291.08618	1.1
309.09549	3.1
317.08401	3.4
343.13602	4.8
343.17239	0.6
388.47403	0.4
475.17776	84.6
476.17865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	2.9
53.83067	2.9
55.01855	3.3
55.05512	23.9
55.05744	3.1
57.07061	5.6
59.04978	4.2
67.05484	30.9
69.07056	59.3
71.04979	5.8
79.05476	20.9
80.40060	4.0
81.07043	64.5
83.04967	4.0
83.08609	13.6
85.06551	4.3
91.05463	32.2
91.52584	3.0
93.07025	60.8
94.07370	5.2
95.04932	7.3
95.08590	100.0
96.08912	4.8
97.06519	20.1
97.10168	5.6
99.50456	3.1
105.07024	63.6
107.08578	96.1
108.08926	13.8
109.06503	12.0
109.10146	60.6
110.10513	3.8
111.08064	5.7
113.09573	3.5
117.07022	5.2
119.08556	90.9
120.08879	4.7
121.06462	4.1
121.10118	63.1
122.10426	4.6
123.08024	8.3
123.11691	29.7
125.05956	6.6
125.09584	6.0
129.06956	5.3
131.08562	26.6
133.10117	74.7
134.10426	5.1
135.08029	7.5
135.11685	70.2
136.12044	13.9
137.09605	6.7
137.13283	4.6
142.07722	3.7
143.08549	25.7
145.10110	53.1
147.07979	5.8
147.11650	50.0
149.13239	20.0
151.07576	5.8
151.11156	15.5
155.08560	5.1
157.10132	23.5
159.08023	6.1
159.11655	37.4
161.09616	13.2
161.13231	31.8
163.11093	5.8
163.14786	19.1
169.10106	8.0
171.11644	25.3
173.09612	5.7
173.13173	30.1
174.13460	4.0
175.14777	21.1
177.16315	6.0
179.14294	4.3
183.11674	8.1
185.13225	20.6
187.11179	3.3
187.14853	25.6
189.12744	7.3
189.16367	70.7
190.16701	5.2
191.17897	5.5
199.14871	24.3
200.20250	4.1
201.12566	3.9
201.16362	17.5
203.14308	4.2
203.17961	5.3
207.17441	50.6
211.14819	4.7
213.16312	6.5
215.17966	4.5
217.12160	7.5
221.13533	4.0
225.16367	5.3
229.19414	5.2
231.17458	5.0
239.17944	4.5
241.15613	4.0
241.19400	3.6
249.14737	5.2
257.19049	4.2
295.23923	4.8
313.25116	6.8
375.30417	5.6
393.31577	7.6
411.32477	21.0
413.30429	4.4
421.30981	22.5
427.35535	4.5
428.35989	15.9
438.30356	5.2
439.31961	53.0
457.32932	26.9
474.35257	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	474.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.7
55.01866	0.6
55.05505	9.4
57.03427	20.8
57.07063	17.3
59.04992	5.7
60.04487	0.6
63.04458	0.6
69.03414	56.5
72.22179	0.5
73.02887	2.4
75.04455	2.4
76.94747	0.5
81.03391	2.1
83.08607	4.1
85.02888	38.3
85.50891	0.6
87.04448	33.2
89.06008	45.5
95.90034	0.5
97.02869	38.1
99.04398	0.7
101.09639	19.5
107.07047	34.6
109.02842	1.1
115.03905	31.3
123.91110	0.6
127.03859	2.0
133.04936	23.1
141.15225	0.6
143.62410	0.6
145.02766	0.9
145.04970	1.2
147.04410	0.9
150.07588	1.3
163.13254	100.0
174.15451	0.6
177.05440	1.0
195.37207	0.6
206.55188	0.6
286.10260	0.6
295.10110	1.0
325.18198	0.7
335.94034	0.5
439.09869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01845	0.6
55.05500	4.3
57.03407	0.4
59.72436	0.3
59.93502	0.3
65.03918	0.4
67.05143	0.5
67.05492	12.0
69.03404	1.4
69.07050	3.2
69.84995	0.3
71.38900	0.3
76.56471	0.3
76.56889	0.4
79.05473	13.5
81.03404	0.4
81.07034	20.2
83.04958	0.6
83.08607	5.3
85.02868	2.6
89.44624	0.3
91.05456	19.6
93.07021	19.8
95.04929	2.4
95.08000	0.6
95.08582	16.2
97.06505	1.7
97.10173	0.4
103.04691	0.4
103.05447	0.7
105.03373	0.5
105.07007	32.2
107.04922	1.6
107.07856	0.8
107.08576	22.3
109.06486	2.0
109.10139	10.9
111.04398	0.5
111.08077	0.5
115.05443	2.0
116.06156	0.7
117.06995	11.1
119.04909	0.7
119.07704	0.8
119.08555	23.4
121.06489	3.5
121.10123	12.7
123.04387	1.8
123.08028	0.8
123.11638	1.3
125.02326	0.4
125.05947	2.3
128.06198	3.9
129.06978	13.0
130.07768	1.7
131.08542	22.4
133.06456	2.3
133.10101	17.5
135.08008	1.7
135.11653	12.3
137.05966	2.3
137.09660	0.4
139.07443	1.1
141.05435	1.6
141.06963	3.9
142.07765	3.7
143.08540	18.1
144.09311	1.8
145.06448	2.1
145.10107	19.4
147.08047	5.3
147.11664	22.9
149.05913	2.8
149.09569	0.5
149.13232	7.1
151.07527	0.6
153.05455	0.6
153.06946	1.5
154.07710	0.6
155.08536	11.1
156.09302	1.7
157.06458	3.1
157.10091	13.2
158.10907	0.5
159.08083	3.1
159.10342	0.8
159.11662	21.7
161.05933	1.5
161.09561	1.6
161.13231	20.8
163.07498	4.3
163.14746	0.5
165.06973	1.6
166.07762	1.9
167.08513	3.9
167.26862	0.3
168.09276	3.6
169.06441	0.5
169.10094	9.8
170.10831	0.7
171.07985	2.2
171.11670	8.7
171.13039	0.4
173.05986	0.4
173.09596	1.7
173.13208	6.8
175.07506	20.0
175.11043	0.6
175.14760	3.5
176.08194	0.3
177.09081	3.8
178.07710	0.4
179.08545	2.4
180.09264	0.8
181.08621	0.4
181.10104	7.6
182.10904	1.9
183.08051	0.8
183.11664	14.5
184.12386	0.6
185.09570	2.9
185.13217	8.7
187.07524	3.0
187.11133	1.8
187.14783	5.1
189.09038	6.9
189.16371	1.6
191.08717	0.3
191.10687	1.4
193.08569	2.0
193.10135	2.9
194.10872	0.7
195.08000	0.7
195.09996	0.6
195.11668	7.5
196.08771	0.4
196.12350	0.5
197.09547	1.8
197.13210	7.8
198.13800	0.4
199.07486	0.4
199.11050	2.6
199.14775	7.4
200.15523	0.4
201.09047	2.7
201.12744	2.1
201.16362	3.1
203.10605	4.7
205.10081	0.4
205.12213	0.5
206.11021	0.6
207.09966	0.6
207.11684	2.9
209.07808	0.4
209.09561	3.1
209.13196	6.2
211.11215	5.1
211.14754	4.9
213.09109	1.8
213.12738	1.8
213.16310	4.7
214.17105	0.4
215.10677	3.2
215.14372	1.3
215.17909	6.8
217.12192	2.7
217.15881	0.9
221.13300	3.2
223.11115	1.6
223.14769	2.5
224.18181	0.3
225.12727	2.0
225.16302	2.2
227.10617	14.6
227.14249	1.5
227.17915	0.4
229.12189	15.6
229.15704	0.5
231.13777	1.4
231.17432	1.8
231.89426	0.3
232.18150	0.7
233.13425	0.4
235.14789	5.5
236.15521	0.4
237.12625	1.9
237.16373	2.5
239.17828	0.8
241.12204	6.6
243.13708	5.1
245.15395	0.4
247.13278	1.7
249.12639	0.4
249.16345	3.7
250.17207	0.6
251.18048	3.7
253.12045	0.4
253.19429	5.2
255.13721	7.4
257.15314	0.8
259.13052	0.6
263.14285	0.7
263.17911	1.7
265.19385	0.6
267.13748	1.4
269.15341	2.2
269.18842	0.4
271.20322	0.5
273.14713	0.5
275.17972	0.6
277.16003	0.6
277.19434	4.2
279.17371	0.5
279.20981	0.6
281.15369	3.4
281.22562	0.8
285.18515	0.7
291.17850	0.5
291.21063	8.7
293.22617	1.5
295.17026	0.7
295.20502	0.6
301.19336	1.6
307.20367	0.8
309.18561	0.8
309.22012	7.0
319.20505	11.2
322.19342	0.4
325.21707	0.6
327.23169	1.4
337.21542	85.8
338.21927	1.5
355.22598	85.7
356.22852	0.6
371.61719	0.4
373.23645	100.0
374.23572	0.6
384.16458	0.4
397.23691	0.8
433.25674	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	474.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.8
55.01861	4.0
55.05508	1.1
57.03170	1.3
57.03428	25.4
57.07057	1.5
59.04977	6.7
59.70490	0.9
60.55562	1.0
61.02902	5.4
67.05497	15.8
69.03414	94.6
69.07046	8.8
71.04984	10.5
73.02879	3.6
75.04453	2.4
76.72524	0.9
79.05463	6.1
79.65170	0.9
79.78410	0.9
81.03395	7.1
81.07013	4.7
83.04939	4.9
85.02888	64.7
85.06534	9.8
87.04448	43.2
91.03923	1.7
92.09211	4.2
95.04945	36.7
97.02255	2.1
97.02866	51.4
97.06509	27.8
99.04461	1.6
99.08080	1.7
101.06017	1.3
105.35797	0.9
105.74273	1.0
109.02870	2.3
109.06483	6.7
111.04424	11.1
113.05988	100.0
115.03146	1.9
115.03908	40.9
115.07542	7.3
125.05946	1.2
125.27414	1.0
127.03885	8.9
127.07509	2.2
127.11149	4.2
133.04939	33.4
135.04366	1.2
137.05942	12.1
145.04961	11.6
145.08557	12.8
153.05452	5.2
155.07008	4.5
163.05911	1.4
178.04970	4.6
189.07620	2.3
191.07080	1.4
218.46143	1.0
227.09044	6.3
245.10097	4.3
257.10168	1.9
259.08066	6.4
275.11151	1.4
295.10223	7.7
319.21823	1.0
475.17529	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	474.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.2
55.11002	2.4
57.03421	41.7
59.04973	14.4
60.61335	2.4
61.02898	2.4
62.05502	2.8
67.05468	6.7
69.03412	61.0
69.07042	12.2
70.06587	3.4
71.04972	16.9
73.06526	16.0
81.03378	4.8
81.07039	6.3
85.02892	53.5
85.06554	28.4
87.04440	41.7
89.06026	4.0
92.08908	17.3
95.04925	28.5
97.02866	52.3
97.06503	18.4
99.08054	19.1
101.05990	13.3
109.02861	3.7
109.06470	14.7
113.05978	100.0
115.03894	31.4
115.07551	12.4
117.09113	12.4
127.03897	4.2
127.07522	39.3
133.04918	22.9
145.04919	3.7
145.08559	90.1
153.05376	3.2
163.09616	16.5
180.08772	26.0
199.41331	3.3
208.55782	3.9
277.12756	3.4
315.54056	3.0
336.12189	3.1
345.13089	16.0
435.89661	3.5
474.16220	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	474.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	16.8
53.15462	1.2
54.03655	1.3
55.01862	2.8
55.05504	53.6
57.03418	9.8
59.04990	78.9
61.02909	7.5
64.35586	1.3
69.03066	2.5
69.03414	50.6
70.06579	15.5
71.04967	6.3
72.08158	1.6
73.02897	6.8
74.06044	3.4
81.03399	39.7
81.07013	1.9
83.04457	2.6
83.04962	78.3
84.04459	1.8
84.07094	1.6
85.02891	68.2
86.09679	6.9
91.15089	1.3
93.07050	1.7
93.27967	1.4
95.04904	2.1
97.02868	100.0
97.03495	3.4
99.04429	19.2
101.06001	63.1
101.06567	1.5
109.02862	35.8
115.03913	1.9
117.03328	14.4
119.07042	20.5
120.08082	3.0
127.03890	50.0
127.08560	1.7
131.04909	2.1
142.08701	1.5
145.02840	41.1
145.04929	43.1
147.04356	6.7
149.05951	6.0
163.03902	2.5
165.92897	1.5
166.08632	2.5
167.06950	1.9
177.05432	57.1
187.05977	9.0
205.07022	2.3
207.08081	1.7
209.08015	3.3
219.75740	1.6
227.09081	10.4
229.15463	2.8
245.10143	42.2
263.11240	3.7
331.12714	2.1
386.57980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05496	4.8
56.36206	1.1
57.03416	1.0
57.07056	1.3
62.67826	1.0
67.05498	8.6
69.07052	8.1
74.30422	1.0
79.05475	6.8
81.07037	22.2
83.04990	1.3
83.08613	5.0
91.05447	7.1
93.07017	20.0
93.80322	1.2
95.08576	29.1
97.10126	1.4
105.07011	17.1
107.08566	36.0
109.06528	2.7
109.10123	18.6
111.08000	1.7
119.08557	26.7
121.10114	24.4
123.08019	4.7
123.11688	6.4
125.09564	1.3
131.08539	10.9
133.10091	22.0
135.07977	1.6
135.11670	21.8
137.13196	1.7
143.08514	2.3
145.10091	14.4
147.11646	19.1
149.09569	1.6
149.13245	10.2
149.34088	1.0
154.94055	1.1
157.10092	2.2
159.11667	10.1
159.12817	1.1
161.13240	9.9
163.11180	1.2
163.14830	10.7
171.11688	4.8
173.13225	7.2
175.14790	8.1
177.12840	1.6
177.16356	10.3
179.14207	1.1
185.13196	2.7
187.13249	1.9
187.14709	13.9
189.16335	21.1
191.17969	4.0
197.13409	1.2
199.14726	1.6
201.16319	13.2
203.17928	5.9
205.15839	26.4
207.17404	18.7
213.16316	2.4
215.17915	7.2
217.19504	1.5
219.17268	1.5
229.19496	2.7
239.17899	1.3
241.19553	1.8
255.20963	5.7
269.22601	1.7
308.97626	1.3
331.26254	2.6
391.33881	1.3
409.34814	8.2
426.34332	1.6
427.35620	100.0
437.34293	1.9
455.35208	5.0
473.35779	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	473.3623
Annotation	Odoratone
Peak:m/z	Relative Intensity
52.44643	0.9
55.05505	10.3
56.55069	1.2
57.07067	2.0
59.96568	1.1
67.05499	10.7
69.07052	15.4
79.05479	12.0
81.07038	21.7
83.04975	1.5
83.08604	9.2
91.05452	7.2
93.07030	21.2
95.08584	56.3
97.10166	2.2
105.07014	21.4
107.07858	2.6
107.08578	67.8
109.10129	27.9
111.08054	1.2
112.12468	1.1
113.53648	1.2
114.37312	1.2
117.07059	1.4
119.08559	43.9
121.06494	1.7
121.09252	2.1
121.10120	50.1
123.08030	1.6
123.11658	6.5
129.06985	1.4
131.08519	9.0
133.09074	1.4
133.10101	40.4
133.11127	1.6
135.07991	1.7
135.11673	23.4
144.96880	1.2
145.10107	30.1
147.11670	28.1
149.13295	11.6
151.11194	1.3
153.09113	2.4
157.10072	1.8
159.11659	16.5
161.13243	18.1
163.11171	31.5
163.14806	10.5
173.13237	5.9
175.14801	29.2
177.16354	37.0
179.14265	2.6
185.13257	1.8
187.14758	24.3
189.16348	61.8
191.17900	6.3
199.14784	2.0
201.16391	10.7
203.14105	1.5
203.17946	41.0
205.15848	100.0
205.19347	2.7
207.17419	15.3
213.16359	1.9
215.17856	1.7
217.15910	1.3
217.19589	1.4
219.17313	1.6
231.17331	2.6
249.18539	10.2
285.25696	1.5
295.24255	2.9
313.25156	10.0
391.33636	2.2
409.34549	44.9
427.35553	9.2
437.34137	15.7
455.35275	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	473.3627
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.11998	0.8
52.30775	0.8
55.05500	5.0
56.02301	1.1
57.03423	0.8
58.02552	0.9
61.73363	0.8
67.05486	5.9
69.07048	11.4
71.05434	0.8
75.64819	1.0
79.05473	6.1
80.47710	1.0
81.07035	24.0
83.08609	4.9
91.05486	7.5
92.09389	1.1
93.07027	24.2
95.04970	1.2
95.08591	33.4
97.06488	1.5
97.10154	1.5
105.07015	16.6
107.08580	41.1
109.06506	2.0
109.10145	15.1
117.03342	1.1
117.07025	1.6
119.08557	26.6
121.10126	34.5
123.08059	3.8
123.11703	6.8
125.09566	1.3
131.08562	10.1
133.10094	18.9
135.08067	1.6
135.11681	27.6
137.09561	1.5
137.13229	1.9
143.08551	2.1
145.02844	1.3
145.10104	13.4
147.11662	25.4
147.12752	1.7
149.09529	1.0
149.13245	21.8
151.11115	1.8
157.10150	4.4
159.11659	10.8
161.13213	12.5
163.14786	21.2
165.12758	1.7
169.10121	1.2
171.11641	4.0
173.13280	6.2
175.14752	7.2
177.05424	1.9
177.16360	18.1
185.13237	1.9
187.14781	23.8
189.16353	37.4
191.14278	1.3
191.17950	6.5
197.13269	1.5
199.14833	1.9
201.16336	11.4
203.17830	3.7
205.15851	93.5
207.17412	41.6
213.16399	4.1
215.17897	8.5
217.19537	1.6
219.17366	8.6
227.17950	1.7
229.19475	6.2
235.16869	1.2
235.20410	1.2
239.45444	1.0
241.19450	3.8
246.99774	1.1
255.21001	9.5
269.22595	7.8
299.03754	1.1
391.33417	1.2
409.34555	18.3
427.35645	100.0
455.35446	7.4
473.35959	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	473.362
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05498	4.7
56.33982	0.9
57.03410	0.7
57.07050	1.8
57.58783	0.7
67.05474	8.4
69.07048	9.3
70.36087	0.7
79.05474	4.6
79.94411	0.9
81.07036	17.2
83.08594	5.5
85.02882	1.2
91.05470	6.4
93.07011	18.1
95.04945	1.8
95.08582	28.1
97.10178	1.2
98.56259	0.9
105.07009	18.0
107.08572	30.4
109.06467	1.8
109.10131	17.0
111.04398	1.1
111.08059	1.6
117.07017	2.2
119.08544	27.5
121.10103	21.9
123.08015	7.2
123.11677	8.5
125.09590	1.1
131.08519	9.3
133.10092	25.1
135.08096	1.3
135.11649	24.6
137.13248	1.5
143.08542	4.3
145.10089	15.1
147.11653	19.5
149.13217	8.5
151.11148	3.4
157.10074	4.5
159.11630	10.4
161.13206	13.6
163.14803	6.9
171.11722	1.8
171.69833	0.9
173.13226	10.2
175.14745	7.5
177.16344	5.0
185.13251	3.6
187.14775	10.9
187.58144	1.0
189.16327	20.8
191.17917	5.3
199.14803	3.9
201.16299	22.5
201.18106	0.9
203.14801	0.8
203.17938	10.2
205.15868	6.0
207.17386	13.9
213.16357	4.5
215.17905	7.4
217.19373	1.4
227.17999	1.3
229.19531	3.7
239.18079	1.0
241.19447	4.5
243.20967	2.2
247.16888	6.3
255.21008	8.3
257.22745	1.5
269.22543	4.2
301.21548	2.1
331.26184	7.0
357.27802	5.1
391.33325	1.7
409.34634	5.7
427.35596	100.0
437.34259	8.2
439.37888	0.9
455.34921	6.0
473.36273	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	473.362
Annotation	Hispidone
Peak:m/z	Relative Intensity
52.22564	0.4
55.05488	3.2
57.07061	0.9
66.64681	0.5
67.05476	4.9
69.07050	5.9
79.05466	5.5
81.07034	13.3
83.08579	3.2
91.05440	4.2
91.65474	0.5
93.07008	14.6
95.08002	1.0
95.08573	22.1
97.06483	0.8
97.10130	0.8
105.07009	12.4
107.07870	0.9
107.08566	24.4
109.06496	2.5
109.10138	12.2
111.08041	0.6
114.36726	0.5
117.06941	0.9
119.08543	22.1
121.10103	17.6
123.08035	2.7
123.11671	4.2
129.06953	0.6
131.08548	8.3
133.09061	0.6
133.10089	16.1
135.08014	2.1
135.10640	0.9
135.11649	23.0
137.09570	1.3
137.13217	0.6
143.08531	3.6
145.10100	10.4
147.11646	23.5
149.09624	0.9
149.13237	9.9
151.11142	2.6
157.10072	4.4
159.11673	7.3
161.13177	7.0
163.11127	0.6
163.14786	11.4
165.12689	2.2
171.11678	2.2
173.13197	5.2
175.14783	5.6
177.12703	0.9
177.16327	6.4
179.14264	0.7
183.11632	1.1
185.13249	2.2
187.14760	14.1
189.12730	0.8
189.16327	27.9
191.14230	1.2
191.17798	2.1
199.14760	1.2
201.16367	7.9
203.17867	1.1
205.15817	37.6
207.17393	25.6
211.14664	0.9
213.16376	2.6
215.17902	6.3
217.19435	2.0
219.17401	4.6
225.16344	0.8
229.19522	1.4
231.17242	0.6
235.20384	0.8
237.16273	2.3
239.17804	1.0
243.20917	0.7
245.03915	0.6
255.21010	3.4
269.22586	3.1
283.16815	0.9
381.31995	0.6
383.29129	0.6
391.33618	0.6
409.34653	7.3
427.35614	100.0
437.30240	1.1
455.24542	1.2
455.31445	4.9
473.32458	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	473.3625
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05505	22.3
57.01010	2.4
57.07060	3.7
58.21778	2.4
60.10860	2.8
67.05492	28.5
69.07057	26.2
79.05494	28.2
81.07040	58.2
83.04971	6.4
83.08609	12.8
84.31913	2.6
91.05450	22.8
92.09308	5.5
93.07021	47.1
95.04938	12.0
95.08582	100.0
97.06505	5.1
105.07010	54.7
107.08585	74.0
109.06483	6.5
109.10143	53.5
111.08076	4.0
117.06998	12.2
119.08552	78.1
121.06471	6.0
121.10120	69.6
123.07999	5.6
123.11699	21.1
125.09614	3.4
131.08522	31.4
133.10130	50.0
134.60475	3.0
135.08034	4.4
135.11670	46.3
137.13220	5.6
143.08546	17.0
145.10124	39.7
147.08035	6.1
147.11684	37.5
149.13225	22.4
155.08508	4.3
156.09317	4.0
157.10121	17.4
159.11679	40.7
161.09593	7.6
161.13202	33.1
163.11194	4.0
163.14763	13.6
169.10054	6.9
171.11594	21.6
173.09636	3.1
173.13237	27.4
175.11215	5.5
175.14786	20.1
177.16309	3.8
181.10139	3.9
183.11671	7.0
185.13290	17.6
187.11021	4.4
187.14772	20.1
189.12704	5.3
189.16255	22.8
191.17960	33.5
197.13246	4.7
199.14752	4.6
201.12682	4.0
201.16403	15.5
203.17931	11.8
205.15900	4.3
205.19588	4.3
207.17485	3.1
209.13383	10.0
211.14819	5.7
213.16432	6.3
217.15889	5.6
227.17972	4.6
229.15952	7.5
239.18065	3.6
369.27722	6.1
401.31485	3.9
427.31976	5.1
437.34805	26.3
455.35660	68.9
473.32471	19.3
473.37701	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	473.3623
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
52.95451	0.9
55.05502	7.7
57.03441	1.3
57.07066	2.2
63.63094	1.0
64.33859	0.8
67.05479	9.8
69.07055	12.6
79.05461	11.8
81.07046	21.4
83.08598	8.5
91.05447	8.5
93.07021	17.9
95.08586	48.4
97.10152	2.4
105.07008	19.8
107.08575	62.0
109.10146	23.1
111.02412	0.9
111.38310	1.3
117.06995	2.0
119.08554	42.0
120.36977	1.0
121.10119	42.1
123.08051	1.8
123.11696	7.3
131.08545	7.8
133.10104	38.3
135.08107	1.4
135.11668	24.7
137.09552	1.2
143.08496	1.5
145.10101	22.3
147.11665	29.2
148.95219	0.9
149.09570	1.4
149.13232	12.9
153.09109	2.0
157.10149	1.8
159.11636	16.3
161.13211	20.1
163.11157	25.1
163.14784	9.8
167.10652	1.2
171.11650	1.2
173.13211	7.1
175.11409	1.4
175.14807	24.5
176.11482	1.1
177.12688	1.6
177.16344	36.6
179.14304	2.5
185.13162	1.7
187.14760	23.8
189.16347	54.8
191.17934	5.9
199.14839	1.2
201.16364	8.4
203.17921	39.1
205.15843	100.0
205.19464	5.8
207.17374	16.5
213.16508	1.5
215.17889	6.9
219.17398	1.1
221.18982	1.5
226.19452	1.3
229.19516	1.1
231.17477	1.5
249.18384	8.2
255.21118	2.1
285.25601	1.4
295.24200	5.1
313.25137	8.2
339.27039	1.0
391.33450	1.7
409.34619	38.1
427.35626	16.3
437.34180	18.1
455.35205	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	473.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84670	1.9
54.61049	1.7
55.05504	18.7
55.73360	1.9
57.07056	5.1
66.49761	1.8
67.05492	26.7
69.03422	2.6
69.07063	30.9
71.05008	2.8
73.00753	1.8
79.05485	23.3
79.56357	2.3
79.81770	2.1
81.07039	81.8
82.07383	2.1
83.08611	16.8
87.00498	2.8
88.23805	2.3
91.05445	21.2
93.07018	55.7
95.04935	5.0
95.08000	4.0
95.08585	83.5
97.06470	3.3
97.10133	3.4
99.02843	2.3
105.07018	45.1
107.07857	4.3
107.08577	100.0
109.06492	9.6
109.10143	51.6
117.07025	10.1
118.79653	2.1
119.08560	61.2
121.06464	10.4
121.10129	68.1
123.08027	5.2
123.11691	26.1
125.09655	2.6
127.03735	2.2
129.06956	4.2
131.08554	28.9
133.10106	50.7
134.10501	2.2
135.08049	8.6
135.11684	40.2
137.03827	2.8
137.13190	3.3
142.07770	2.7
143.08528	13.0
145.02840	4.6
145.10118	38.9
147.11705	35.7
149.05946	2.6
149.09628	4.9
149.13219	24.2
151.11121	10.6
156.09297	3.0
157.10124	16.4
158.67986	2.3
159.08015	5.4
159.11662	41.0
161.09561	3.8
161.13260	24.0
163.11134	3.0
163.14784	16.4
169.10162	7.8
171.11676	14.5
173.09616	4.5
173.13211	27.9
175.11194	3.1
175.14803	26.7
177.05486	5.4
177.09079	2.4
177.16345	73.4
183.11652	11.1
185.13249	10.8
187.11115	3.7
187.14781	19.2
189.12779	2.4
189.16362	41.4
191.17924	20.5
195.11646	4.5
197.13408	3.2
199.11174	3.2
199.14819	14.4
201.12694	5.0
201.16380	44.1
203.14308	3.7
203.17934	10.6
205.15976	2.6
207.17392	15.8
211.14822	3.3
213.16368	8.9
215.17923	15.6
217.15823	2.8
221.15329	3.0
223.16876	15.6
225.16245	4.6
227.17909	9.4
229.19479	24.8
231.17348	3.0
237.16411	8.8
239.17958	3.0
241.19490	8.7
243.17461	8.9
243.21103	3.3
247.16919	4.9
255.21263	3.4
261.18408	10.0
271.16916	2.4
275.20071	4.8
297.99539	2.3
391.33731	8.3
409.30325	8.1
409.35110	3.6
427.31570	10.4
427.36337	4.8
437.34882	24.4
455.23901	34.6
455.30951	13.2
455.35461	10.9
472.34744	3.8
473.21063	5.5
473.31415	17.6
496.20160	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	473.3259
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
55.05495	8.9
57.03440	1.7
57.07039	1.4
67.05486	11.6
69.07059	10.4
76.02394	1.4
79.05476	10.9
81.07038	34.0
83.04935	1.8
83.08594	2.4
84.91173	1.6
91.05440	9.2
93.07030	26.9
95.04951	1.9
95.08582	32.2
105.07000	29.8
105.81694	1.6
107.08571	48.3
109.10130	17.0
117.06980	6.7
119.08566	34.2
121.06435	1.8
121.10124	25.2
123.08054	2.5
123.11691	16.5
129.06923	2.2
131.08563	11.1
133.10107	27.1
135.11650	22.6
143.08569	10.1
145.10147	15.1
147.07974	2.0
147.11662	61.2
149.13211	15.2
155.08554	8.8
157.10130	12.5
159.08081	2.2
159.11649	15.5
161.13232	12.4
163.11165	2.0
163.14816	2.1
169.10081	15.0
171.11609	13.4
173.13222	18.8
175.14784	27.3
179.14284	2.7
181.10069	3.0
183.11649	8.9
185.09692	2.9
185.13205	9.5
187.11125	1.6
187.14784	9.3
189.12729	1.6
189.16394	13.9
191.18030	2.2
193.10059	2.3
193.15851	6.0
195.11671	9.2
197.13251	3.9
199.11226	1.9
199.14836	6.5
201.16350	9.0
203.17989	1.8
205.15874	2.4
207.11690	3.3
207.17426	3.9
209.13303	2.4
211.14804	8.2
213.16443	3.9
215.18015	3.1
222.14101	2.3
223.14763	2.4
225.16356	3.5
227.17947	8.7
229.19635	3.3
232.86586	1.8
237.16319	63.3
239.17967	13.7
241.19415	2.2
243.17297	2.2
251.17899	6.1
255.17442	9.8
255.21024	2.1
267.21063	2.0
273.18405	2.1
277.19467	6.6
283.16919	20.6
301.17896	3.1
323.19922	8.3
363.30109	2.4
373.28870	7.1
381.31335	19.9
381.35611	2.0
383.29367	17.3
391.29776	6.7
409.30823	19.0
419.29468	2.8
427.31531	22.8
437.30280	18.2
455.25140	3.5
455.31427	100.0
456.31879	2.6
473.32501	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3259
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
55.05519	27.4
57.03415	3.5
57.07061	11.6
59.06086	3.1
59.71925	2.2
61.49363	2.4
63.65505	2.1
66.78554	2.3
66.78912	2.3
67.05487	31.6
69.03407	5.1
69.07051	35.4
71.04971	3.8
79.05467	30.9
81.07039	70.3
83.04957	2.9
83.08591	11.6
85.06531	4.7
91.05453	30.9
92.08736	10.0
92.09274	5.5
93.07022	69.0
95.04950	6.2
95.08582	81.4
96.08911	3.6
96.14643	2.6
97.06488	5.2
97.10169	5.9
99.08083	4.1
105.07018	62.6
107.08573	95.0
108.08888	4.2
109.06488	5.4
109.10147	57.0
111.08084	5.6
117.06990	7.2
119.08553	100.0
120.08859	3.7
121.06510	6.1
121.10120	63.3
123.08060	14.1
123.11709	21.0
131.08522	27.2
133.10104	60.7
134.10477	3.8
135.08043	13.8
135.11649	54.5
137.09610	3.5
137.13315	2.9
143.08531	20.8
145.10081	51.3
147.08005	4.8
147.11668	40.3
149.09637	7.2
149.13268	22.6
150.69130	2.8
151.11108	3.0
153.09152	4.4
155.08562	4.9
157.10123	22.3
159.08073	3.7
159.11676	34.7
161.09622	12.0
161.13277	29.1
163.11139	5.1
163.14821	24.0
169.10132	3.8
171.11688	13.8
173.09586	3.7
173.13232	32.8
174.13600	5.6
175.11194	3.6
175.14780	33.2
177.12656	3.7
177.16368	6.8
183.11629	14.0
185.13161	13.8
187.11140	3.3
187.14792	29.6
189.12732	14.9
189.16370	38.3
191.14191	12.5
191.17932	10.9
197.13266	5.2
199.14772	17.0
201.12714	4.2
201.16302	24.8
203.14267	4.9
203.17935	6.3
207.17464	10.4
213.16377	11.3
215.18037	5.6
217.15833	6.2
223.14908	5.4
225.16306	5.2
227.17920	4.7
229.19608	4.2
243.17522	4.5
245.18687	3.4
247.16931	6.6
249.18358	4.4
251.18088	3.7
253.19566	4.4
255.17285	3.6
265.19333	3.4
284.65393	3.3
339.37784	3.1
409.31003	14.7
427.31723	20.7
437.29675	6.0
437.34644	5.3
455.30530	25.3
473.25641	4.0
473.31238	37.3
473.36420	15.6
483.05478	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	472.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.7
54.81562	1.5
55.05505	21.7
57.03429	2.4
57.07065	2.8
67.05489	82.3
69.07054	26.3
71.04964	2.8
77.48711	1.5
79.05473	26.8
81.07036	100.0
83.04969	2.3
83.08598	11.0
85.06510	7.4
86.09121	1.2
91.05455	12.3
93.06474	2.1
93.07016	32.1
95.08582	73.5
97.06491	7.3
97.10133	6.2
99.08092	1.5
105.07019	15.1
107.08582	21.3
109.06471	2.4
109.10137	37.1
111.08006	1.7
117.06989	3.0
119.08547	12.7
121.10121	28.4
123.11644	14.1
131.08525	9.0
133.10083	12.0
135.11670	14.1
137.13300	4.3
139.11105	2.4
145.10106	7.9
147.11674	8.7
149.09625	2.1
149.13257	6.6
151.11217	1.9
159.11668	3.2
161.13219	8.0
173.11664	3.4
173.13139	1.9
175.14819	2.5
179.14388	1.6
187.14684	2.9
243.21037	7.3
261.21973	16.2
279.23114	40.2
293.34335	1.4
297.24161	6.2
401.33862	6.2
419.34769	9.5
437.35687	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	472.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.4
55.05505	23.5
57.03429	1.9
57.07075	6.6
65.03930	1.4
65.70553	1.2
67.05491	65.8
67.05849	2.8
69.07055	25.9
71.04977	3.0
79.05482	24.4
81.07036	100.0
83.08589	12.7
85.06532	5.8
89.06001	2.0
91.05455	15.1
91.05920	1.4
92.85324	1.5
93.07017	34.4
95.08581	72.8
97.06518	7.5
97.10152	6.8
105.07007	18.3
107.08582	26.2
109.10146	39.2
111.08101	2.8
112.87746	1.4
119.08567	27.2
120.08842	1.7
121.06516	3.8
121.10117	23.4
123.08074	1.8
123.11677	11.6
131.08514	8.5
133.10100	17.3
135.11688	18.6
137.13205	3.0
139.11115	1.9
143.08495	2.0
145.10107	16.4
147.07983	1.6
147.11653	15.5
149.13211	7.1
157.10106	1.9
159.11693	8.4
159.40059	1.5
161.13234	13.4
163.07605	2.0
163.14766	5.6
165.12776	1.7
172.73613	1.5
173.11768	5.3
173.13231	6.4
175.14801	12.3
176.15096	6.6
177.16425	2.0
179.14293	2.3
185.13268	1.8
187.14761	11.4
189.16452	3.5
191.17938	3.7
201.16365	7.3
203.17827	2.2
217.54240	1.6
229.19507	1.9
238.14989	1.5
243.21060	6.3
261.22162	12.1
279.23172	29.1
297.24075	5.6
315.17764	2.6
401.34116	2.5
409.34515	3.7
415.49719	1.7
419.34964	2.8
437.35239	10.5
455.35217	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05508	20.9
56.58257	0.9
57.03423	1.6
57.07059	5.6
63.13752	0.9
65.03912	1.4
67.05489	71.1
69.07053	24.3
69.41014	1.0
71.04970	2.7
71.08611	2.2
79.05469	23.6
81.07035	100.0
83.04967	2.6
83.08601	12.6
85.06525	5.1
89.06034	1.6
90.67299	1.1
91.05441	16.1
92.09129	8.0
93.07018	40.0
95.04898	1.3
95.08579	80.2
97.06492	6.5
97.10150	9.1
99.08051	1.7
105.07009	22.3
107.08573	37.6
107.09290	1.6
109.06487	2.5
109.10136	46.9
111.08042	1.9
111.11691	1.4
117.07005	4.9
119.08557	52.0
121.06503	1.9
121.10115	38.3
123.07965	1.4
123.11673	20.3
131.08534	9.3
133.10106	23.1
135.08086	1.2
135.11658	28.5
137.13283	6.0
139.11139	4.8
143.08572	1.5
145.10107	27.6
147.11668	17.7
149.13277	9.0
151.07492	2.0
157.10098	6.3
159.11655	16.6
161.13226	13.4
163.07515	6.9
163.14787	9.9
165.12637	1.7
171.11650	2.7
173.11777	3.6
173.13254	15.2
175.14749	13.0
177.16240	2.3
179.14166	1.2
185.13199	2.5
186.17551	1.1
187.14780	25.1
189.16411	5.6
191.14284	2.3
191.17929	17.1
191.95102	1.2
193.15822	1.7
199.14743	2.4
201.16309	17.3
203.17966	10.9
213.16412	2.8
215.17850	2.5
217.19556	2.3
219.14061	1.2
229.15991	1.3
229.19461	2.2
233.15445	2.0
243.21040	2.8
243.28978	1.2
247.16876	2.7
255.21396	1.5
261.22064	10.6
279.23114	28.4
297.24326	5.6
401.33887	1.6
409.34552	10.8
419.34949	5.1
437.34018	17.1
438.45715	1.3
455.35104	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91613	0.7
53.00294	1.2
53.03928	0.9
55.01866	1.0
55.05499	13.6
57.03423	11.5
57.07063	12.5
59.04980	1.9
61.02910	3.4
65.49233	0.7
67.05479	4.6
69.03416	34.4
69.07053	100.0
71.04942	3.1
73.02889	5.6
75.04420	1.4
81.03387	4.6
81.07022	4.9
82.07373	0.9
83.04964	7.1
83.08603	41.4
84.08189	1.0
85.02886	32.8
86.09679	4.9
87.04448	15.5
89.00596	1.7
95.08608	1.1
97.02866	29.9
97.10154	3.7
99.04404	1.5
103.03898	1.0
107.08594	1.0
109.02850	1.9
111.04411	5.0
115.03909	17.8
117.03370	1.5
121.06462	0.8
125.13247	18.1
127.03876	5.1
129.05438	8.4
133.04919	10.4
135.07977	1.0
141.12712	1.1
142.13063	1.1
143.10635	3.6
143.14296	37.9
145.02812	4.9
145.04970	4.0
147.04401	6.8
147.06464	0.9
153.12740	1.7
161.15335	21.0
163.05966	1.0
164.26500	1.0
177.05408	9.1
186.09090	0.9
239.03389	12.0
257.34012	0.9
275.12878	1.3
295.10242	1.5
299.05301	3.8
413.55133	1.0
473.10599	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	472.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.0
57.03431	1.9
67.05494	55.4
69.07056	22.0
71.04971	3.4
72.73928	1.4
74.01331	1.5
79.05475	22.3
81.07042	70.9
83.08633	7.1
91.05459	13.3
93.07016	29.7
93.07481	2.1
95.08584	100.0
95.09203	3.5
97.06507	8.7
97.10178	6.5
101.12621	1.6
105.07021	14.3
107.08586	18.8
108.08873	1.9
109.10143	18.2
114.37556	1.7
117.06979	2.9
119.08517	12.6
121.06483	2.6
121.10110	20.4
123.08061	3.3
123.11700	10.1
129.06952	2.2
131.08537	8.3
133.10110	6.8
135.11699	12.9
137.13237	3.1
141.09140	1.9
145.10121	9.1
147.11691	10.7
154.90044	1.8
157.10138	2.4
158.05267	1.8
159.10164	10.0
159.11702	4.0
160.50160	1.9
161.13229	7.9
166.84468	1.5
167.93501	2.1
173.13324	3.4
180.02074	1.8
187.14832	6.9
205.15947	2.0
217.36053	1.7
226.83171	1.7
240.68297	1.6
243.21091	2.6
261.22168	4.2
279.23108	15.0
297.24246	7.5
401.30475	3.2
401.80353	2.0
419.31528	7.4
462.82419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17133	0.2
52.56271	0.2
53.03948	0.3
55.01857	1.3
55.05503	12.8
57.03141	0.2
57.03427	6.5
57.07061	1.2
59.04989	2.8
59.54227	0.2
60.04530	0.2
61.02914	0.4
67.05494	0.4
69.03413	22.6
69.07052	2.5
71.04962	0.4
73.02908	0.4
75.04460	1.1
79.05424	0.2
81.03413	0.8
81.07033	3.5
83.04960	1.7
83.08603	69.6
85.02890	12.0
85.06544	0.3
87.04448	12.8
91.05467	0.4
92.09252	0.5
95.04951	1.6
97.02868	13.1
97.06516	0.2
97.10149	27.1
99.04453	0.4
99.08069	5.2
100.07574	0.5
100.11256	0.3
101.06002	2.6
101.09641	1.8
103.03914	0.3
107.08572	1.8
109.02827	0.4
111.04417	0.2
115.03904	9.2
121.06458	0.2
123.04411	0.8
125.09605	6.0
127.03922	1.5
133.04936	6.7
135.84952	0.2
141.05489	0.2
143.10654	100.0
145.02779	0.2
145.04936	0.5
147.04405	0.3
150.07524	0.3
161.11700	31.1
162.05452	0.5
167.06932	0.3
169.04909	0.3
182.15379	0.5
183.06506	1.0
190.04968	0.4
209.08105	0.5
210.14865	0.3
269.12881	0.3
293.43747	0.2
329.59888	0.3
472.18179	0.3
481.33923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46452	0.3
53.00300	0.4
53.03943	0.3
55.01859	1.6
55.05506	9.9
57.03430	6.4
57.07068	0.7
59.05000	3.1
59.88160	0.3
64.33526	0.3
67.05504	0.5
69.03420	22.0
69.07066	1.9
75.04481	0.5
81.03386	1.2
81.07041	3.2
83.04977	1.7
83.08609	64.2
85.02892	12.7
87.04461	9.5
91.32210	0.4
95.04975	0.8
97.02880	11.6
97.10155	24.9
99.08073	4.7
100.07588	0.6
101.05998	2.2
101.09644	2.2
107.08624	1.4
111.04397	0.4
115.03915	10.0
115.04708	0.4
123.04433	1.4
125.09608	5.5
127.03916	1.7
133.04956	7.1
137.74614	0.4
143.10663	100.0
144.10982	0.6
145.04919	0.5
147.04285	0.3
149.05974	0.4
156.71284	0.3
161.11710	26.2
162.05444	0.4
175.65475	0.3
183.06528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68270	0.4
55.05505	3.4
56.96557	14.2
57.07067	0.4
59.14405	0.4
61.85621	0.4
66.22496	0.4
66.40264	0.4
67.05490	3.7
69.03399	0.4
69.07056	4.2
71.04980	0.6
71.38412	0.4
79.05482	5.0
81.07044	5.6
83.04956	0.9
83.08604	2.2
91.05450	2.6
92.08924	2.0
93.07027	6.1
94.07351	0.7
95.08585	7.6
97.06508	0.5
98.97565	15.8
104.60227	0.4
105.07005	6.2
106.07347	0.8
107.04941	1.8
107.08591	9.8
107.54649	0.4
108.08881	1.0
109.06532	0.7
109.10155	5.6
111.08098	0.6
116.98595	17.3
117.06968	0.7
118.28189	0.5
119.08562	9.5
120.08874	0.9
121.06465	0.7
121.10131	6.4
122.10461	1.7
123.08005	0.9
123.11668	1.1
125.09564	0.5
129.06973	0.4
131.08549	4.2
133.10109	6.1
134.10458	1.0
134.99631	12.3
135.11639	3.8
137.13290	0.4
143.08549	1.1
145.10124	5.0
146.10466	1.0
147.08035	0.4
147.11684	3.3
148.12024	0.9
149.09563	3.6
149.13208	1.9
153.00697	2.9
157.10086	1.1
159.11636	4.0
160.12029	0.8
161.13203	3.0
162.13547	0.6
163.14810	2.3
164.15167	0.6
165.12706	0.6
169.10054	0.6
171.11617	0.9
173.13232	3.5
175.11160	0.6
175.14830	2.2
176.15181	0.8
177.16348	1.0
183.11685	0.7
185.13185	1.9
187.14764	2.1
188.15070	0.6
189.16370	3.5
190.16689	0.7
191.17911	0.5
195.11867	0.5
197.13271	0.5
199.14772	0.9
201.12877	0.5
201.16364	6.0
202.16643	2.1
203.17990	0.8
205.15845	1.7
215.17906	0.7
235.17102	0.6
247.16875	0.6
275.20001	3.1
293.21277	0.5
299.12955	0.5
303.12909	0.5
308.56284	0.5
311.15329	0.9
321.13669	0.8
329.14099	2.7
345.13712	5.7
345.17398	1.1
347.15283	6.3
357.13699	0.5
359.15302	1.8
361.16718	4.2
363.14618	11.2
363.18484	1.7
365.16232	9.4
365.20239	1.5
369.17218	0.8
375.14789	1.0
377.16293	2.5
379.13980	0.5
379.17868	5.5
381.19379	1.9
385.16867	0.8
387.18307	5.8
389.15842	0.6
389.20068	6.8
391.18079	3.1
393.15765	2.6
403.17923	2.5
404.14969	1.9
405.19388	14.4
407.20975	18.6
407.32864	0.7
413.20026	0.6
421.19052	1.9
423.20694	1.7
425.22299	3.2
431.20905	30.3
436.32846	1.0
449.22025	100.0
450.22476	0.7
453.33539	0.9
454.29565	0.6
467.22867	2.6
471.35144	1.5
472.23996	5.8
472.35001	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	472.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93228	0.4
55.05500	0.3
55.61480	0.3
57.03420	0.8
59.04982	0.9
59.72411	0.3
62.60602	0.3
67.02781	0.3
69.03401	2.4
69.07026	0.5
71.04973	0.7
73.06541	0.7
78.04694	0.9
79.05466	1.6
80.61089	0.3
81.07032	0.8
85.02881	2.7
87.04443	0.8
91.05466	3.6
92.09187	0.7
93.07029	1.4
95.04939	1.8
97.02863	1.8
99.04440	0.6
99.08051	0.4
100.11258	0.4
103.05440	0.9
105.07004	1.9
106.04162	0.9
107.04920	2.1
109.06480	0.6
115.03892	0.6
115.07565	0.5
117.03224	0.4
119.04922	1.8
121.06477	6.1
122.03598	0.5
123.04410	7.2
124.05158	2.6
125.09659	0.4
127.03798	0.6
131.04860	0.9
133.04950	0.6
133.06454	2.0
134.03566	0.5
135.04427	0.8
137.05945	2.5
140.04680	1.6
141.09102	0.8
142.09584	0.5
143.07060	0.6
143.10616	0.5
147.04424	2.3
149.05937	0.5
151.03859	0.9
151.07555	0.5
152.04633	1.8
152.06134	0.6
153.05457	3.1
153.06964	1.5
155.07042	0.8
161.05936	0.9
161.08131	0.6
165.05507	0.7
165.06993	1.5
167.07005	100.0
168.07358	0.8
169.06421	0.6
173.05942	0.4
176.04626	0.5
179.07025	0.6
180.05652	0.4
181.06450	4.8
181.08557	6.7
182.07208	0.5
183.07973	2.6
191.07022	2.3
193.06482	0.9
193.08569	3.5
195.08014	2.1
197.05957	2.3
198.06697	2.9
199.07495	0.6
208.05196	0.5
209.05959	1.7
210.06793	0.5
211.03943	0.6
211.07492	5.5
213.09045	3.6
214.06219	1.6
215.07043	0.9
223.07428	0.5
224.04535	0.6
225.05426	1.9
226.06252	0.9
227.06966	1.9
228.07802	0.8
229.08597	1.5
237.05463	0.8
238.06187	1.7
239.06906	2.6
240.04341	0.4
241.08487	4.8
242.05693	1.4
243.06647	2.6
245.11655	1.5
251.07053	0.8
253.08524	0.5
255.06480	0.8
255.09985	0.4
257.08093	2.6
268.07358	0.5
269.07974	1.8
270.09048	0.5
271.05936	2.3
273.11075	5.3
275.08997	0.7
283.09543	0.6
285.07611	1.9
285.10956	0.5
286.08234	1.5
299.09155	0.8
301.10660	10.8
302.11334	1.8
313.10654	1.9
318.10928	38.0
330.10916	0.7
331.11780	4.5
332.12448	31.0
333.13248	37.0
345.13370	3.3
375.14426	0.9
407.16919	21.1
419.17154	0.6
495.26605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3677
Annotation	Glyceryl tri(2-ethylhexanoate)
Peak:m/z	Relative Intensity
53.03935	1.7
55.01854	2.4
55.05267	1.5
55.05506	29.3
56.07726	0.9
57.03422	1.1
57.07064	4.9
59.04959	0.9
62.88206	1.0
65.03930	1.7
65.99646	0.9
67.05492	75.5
69.03409	1.5
69.07057	50.1
71.04972	9.3
73.06528	1.1
79.05477	39.3
81.07039	100.0
82.53631	1.1
83.04975	8.6
83.08608	13.0
85.06512	5.7
85.09071	1.1
87.86214	1.1
91.05467	20.7
92.08679	1.4
93.07026	55.2
95.04923	2.2
95.08585	89.9
97.06514	15.4
97.10166	16.4
105.07017	19.7
107.08585	33.1
109.06515	1.5
109.10146	48.9
111.08055	5.4
111.11697	4.5
117.06996	6.3
117.63731	1.0
119.08564	19.2
121.10116	42.2
121.49154	1.1
123.08068	2.7
123.11682	13.5
125.09588	2.1
131.08525	12.8
133.10098	16.6
135.07999	1.8
135.11678	21.6
137.09598	2.0
137.13226	2.0
139.11159	17.2
145.10065	11.9
147.11662	14.2
149.13222	8.5
151.11198	2.1
157.10188	1.6
157.12260	1.7
159.11642	6.9
161.09572	1.3
161.13222	12.6
163.11195	1.2
163.14809	5.2
165.12767	2.1
171.11694	1.4
173.11775	1.7
173.13226	8.6
175.14771	2.6
177.16319	1.7
179.14250	1.9
183.11740	1.0
187.14789	3.8
189.16330	4.8
191.17920	1.5
201.16331	2.3
219.20987	1.2
243.21001	6.9
261.22104	14.1
279.23157	31.8
295.22516	1.1
297.24106	6.9
301.62946	1.0
327.22864	1.8
365.76685	1.5
399.32379	6.3
417.33636	16.8
435.34552	13.3
453.29626	2.7
453.35724	62.4
471.24573	4.3
471.34842	11.1
477.06390	1.2
496.46854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48539	0.5
55.05507	8.7
55.27874	0.4
57.03421	2.3
69.03416	4.2
69.07051	14.6
71.04976	28.1
72.72046	0.6
73.06538	63.3
76.16043	0.5
79.05451	0.9
83.04966	62.7
84.45661	0.5
85.02880	6.3
87.00815	5.6
87.04453	2.4
94.63978	0.5
96.72860	0.5
97.02858	4.7
97.06513	30.9
101.06004	7.3
110.67735	0.5
111.20589	0.5
112.53435	0.6
113.05984	2.4
114.15637	0.5
115.03904	1.2
115.07559	17.4
120.36907	0.5
125.05968	26.9
127.03827	0.8
129.05478	0.9
131.07016	47.2
143.07010	66.3
161.08061	100.0
317.70935	0.6
323.13287	10.7
330.34799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.5
55.05498	2.4
57.03427	8.3
59.04713	0.5
59.04990	7.6
60.04493	0.4
61.02630	0.8
61.02918	13.7
67.05479	0.7
69.03416	23.3
69.07063	0.8
70.93546	0.4
71.01340	3.3
71.04974	1.1
73.02917	0.5
73.06527	0.5
75.04458	0.8
79.05475	0.5
81.03384	0.7
81.07034	1.8
83.04964	18.0
85.02888	14.0
85.06530	2.4
87.04452	15.8
89.02383	0.8
95.08609	1.8
97.02870	25.0
97.06490	1.7
99.04440	0.6
99.08076	0.9
101.06000	9.8
103.03925	5.0
107.08570	0.7
111.04427	100.0
115.03912	13.0
115.07514	3.4
116.07890	1.0
125.09590	2.2
127.03886	0.9
129.05457	13.3
133.04938	7.2
141.09094	2.0
142.09479	0.7
143.07018	7.5
143.10672	5.8
147.04440	0.7
150.07626	1.7
159.10107	1.9
160.10526	0.6
161.08061	56.6
161.11766	1.9
163.03845	1.7
176.22169	0.5
189.26866	0.4
190.92880	0.4
210.57565	0.4
290.60919	0.5
293.81577	0.4
323.13251	1.0
393.22226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05512	21.1
56.96548	3.4
57.07064	3.8
67.05497	41.6
69.07053	26.3
79.05472	22.3
79.74342	1.9
81.07041	52.6
83.04957	2.1
83.08607	13.7
90.53094	1.6
91.05472	21.7
93.07035	51.6
95.04962	2.4
95.08588	64.4
97.06475	4.0
98.87472	2.1
103.97972	2.5
105.07016	38.3
107.08586	64.4
109.06492	3.4
109.10142	100.0
111.08042	18.0
117.07001	8.9
119.08548	59.4
121.06503	3.9
121.10128	48.1
123.08045	4.2
123.11732	14.8
129.06969	8.8
131.08525	25.5
133.10114	37.5
135.11664	34.2
137.09595	3.3
139.11111	2.5
141.06870	2.8
142.07770	2.5
143.08582	15.8
145.10126	38.0
147.11687	32.1
149.13213	23.9
155.08513	4.2
157.10130	23.7
159.11679	25.5
161.09660	3.1
161.13219	23.0
163.11183	3.0
163.14809	11.1
165.12738	2.3
169.10112	9.7
171.11697	22.6
173.13258	23.3
175.11214	4.0
175.14825	16.1
177.09206	2.5
177.12706	2.5
177.16345	7.7
181.10089	2.7
183.11732	12.9
185.13266	14.3
187.14795	18.0
189.12781	2.9
189.16383	18.8
195.11794	3.6
197.13196	11.1
199.11168	2.2
199.14769	20.1
201.16330	24.8
203.14337	2.9
203.17975	9.9
203.21918	2.2
205.15894	7.9
207.17426	8.7
209.13258	4.3
211.14771	2.3
213.16350	8.4
215.17874	4.6
217.15901	4.8
223.14928	3.1
225.16350	8.7
227.17941	4.7
229.19475	4.9
231.10315	2.5
238.12994	2.5
239.17976	4.2
241.19478	4.8
245.18912	2.8
253.19493	5.1
255.17323	2.4
255.21033	3.3
265.19275	2.6
267.20935	4.1
279.21002	2.8
279.95691	2.3
281.22589	2.6
293.22772	3.0
297.18741	2.1
299.20062	4.0
313.90506	2.2
335.53604	2.5
372.21991	2.2
380.49429	2.1
389.31979	5.2
405.50336	2.2
407.32999	14.2
413.20172	2.0
423.32288	2.9
425.34262	5.0
435.32416	10.0
448.20728	8.2
453.34149	22.8
455.58289	2.3
471.29788	3.6
471.34540	15.4
473.50665	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	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
54.56123	1.6
55.05507	17.5
55.56902	1.6
56.96554	23.3
57.07061	3.6
64.98685	1.9
67.05489	23.6
69.03402	1.7
69.07054	34.7
75.17192	1.5
79.05491	22.2
81.07039	52.9
81.33500	1.9
83.08611	9.5
91.05458	26.0
93.07027	66.8
94.37337	1.7
95.04939	2.8
95.08002	3.8
95.08584	82.4
97.06485	3.3
97.10110	2.5
98.97560	22.1
105.07020	52.2
107.08576	100.0
109.06483	3.9
109.10146	39.6
111.08029	7.4
116.98588	23.7
117.06985	10.1
119.08561	88.9
121.10110	58.2
123.08054	3.9
123.11692	18.2
125.09623	2.3
129.07001	6.5
131.08556	34.7
133.10117	49.4
134.99606	16.1
135.08025	3.8
135.11676	33.8
137.13257	2.3
143.08533	17.8
144.09329	2.6
145.10098	55.7
147.08003	2.9
147.11671	39.8
147.12749	3.3
149.09599	2.3
149.12143	3.6
149.13242	66.2
151.57230	1.7
157.10094	36.3
158.10754	2.3
159.11673	37.4
161.13203	32.1
163.11154	3.4
163.14793	16.0
169.10063	11.5
170.10831	2.3
171.08067	2.1
171.11659	22.3
172.12349	2.2
173.13199	31.9
175.11038	2.2
175.14793	25.1
177.16347	16.0
179.14270	9.1
183.11635	11.3
185.13190	17.6
187.14806	24.2
189.16351	32.6
191.14296	3.3
191.17909	3.6
195.11559	3.8
197.13255	7.9
199.14810	17.6
201.16385	37.3
203.14244	2.6
203.17863	10.8
205.15884	7.5
207.17340	2.4
211.14815	8.3
213.16328	12.0
215.17902	24.3
217.15732	3.5
217.19505	3.5
219.17365	1.8
223.14673	3.1
225.16321	3.5
227.17934	38.3
229.15970	2.0
229.19452	13.2
237.16479	2.5
239.17899	4.0
241.19456	7.5
243.20988	4.3
247.16878	3.3
253.19408	3.9
255.20830	3.0
261.18436	7.7
267.21005	4.0
273.18457	30.9
295.12054	7.3
296.12466	9.2
299.20026	3.4
313.13098	23.9
314.13556	30.6
323.19785	1.9
334.97916	1.9
348.15573	3.4
362.17151	6.7
364.14993	7.4
366.16370	3.8
379.17966	2.5
379.33807	2.9
380.18164	6.9
388.18677	11.4
389.31924	7.1
397.34534	2.9
404.18353	2.1
405.19272	7.1
406.19690	25.4
407.33145	24.3
424.20682	3.5
425.34189	48.8
430.19742	30.6
435.32733	17.7
441.33847	2.4
447.20560	14.7
448.20825	91.8
453.34042	24.9
471.22449	3.1
471.34387	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	471.3468
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.03243	1.9
55.05509	19.6
57.03423	2.2
57.07068	8.8
58.32405	1.7
60.17572	1.6
67.05499	22.7
69.07050	35.1
71.93081	2.1
73.85984	1.9
79.05468	15.9
81.07046	42.0
83.08592	9.8
85.06491	1.8
85.68156	1.8
90.38103	2.0
91.05457	19.4
92.09290	2.2
93.07030	50.7
95.08588	75.0
97.06525	4.6
97.10138	3.3
97.34782	1.8
103.96202	1.9
105.06353	3.6
105.07014	63.8
107.08582	88.6
109.06512	4.0
109.10139	37.8
111.08030	2.7
117.06995	12.9
119.08562	100.0
121.06435	2.1
121.10131	84.4
123.11652	15.4
128.06343	3.0
129.07010	3.5
131.08528	38.2
133.09175	3.8
133.10107	73.7
135.07999	2.8
135.11682	37.3
137.09608	5.3
137.13255	3.7
139.07530	2.4
143.08546	16.0
145.10110	62.4
147.08047	2.6
147.11671	51.0
149.09596	4.0
149.13232	20.7
151.11177	3.0
155.08545	3.5
156.09364	3.7
157.10083	30.6
158.10899	3.6
159.11667	54.8
161.09555	3.2
161.13242	43.3
163.07516	2.3
163.14804	32.6
165.12662	2.9
169.10046	9.7
170.10887	3.1
171.11650	25.9
172.12448	2.9
173.09544	2.8
173.13206	37.9
175.11325	2.5
175.14795	47.0
177.12631	3.6
177.16371	12.5
179.14264	9.2
183.11668	13.0
184.12419	3.5
185.13260	29.5
187.14789	48.6
189.16359	49.4
191.14459	2.6
191.17960	3.6
193.15910	18.0
197.13217	12.7
199.14774	26.6
201.16351	45.7
203.14325	8.7
203.17912	23.3
205.15817	4.1
207.17416	8.6
211.14755	9.8
213.16408	21.6
215.17896	36.9
217.15816	3.2
219.17406	10.6
223.14775	3.3
225.16409	5.1
227.17882	19.4
229.19455	19.2
231.17432	11.9
233.19017	10.4
239.17813	8.5
241.19423	7.7
243.17532	3.0
245.19145	3.2
247.16879	4.0
249.18483	3.5
253.19441	11.5
255.20952	3.2
257.22568	2.8
259.20526	2.5
281.22516	2.6
299.20078	3.3
303.23294	3.9
305.06482	2.3
389.32339	7.0
397.34586	3.0
407.33197	21.1
412.06113	2.5
423.32391	4.0
425.34167	32.7
435.32516	29.1
453.33694	48.1
471.34863	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	471.3466
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.17836	0.4
55.05497	3.1
57.07071	0.9
59.04968	0.6
59.49115	0.5
67.05485	3.8
69.07056	4.4
70.13094	0.5
79.05474	3.5
81.07033	10.7
83.04952	3.8
83.08601	2.2
91.05458	3.3
92.64607	0.6
93.07018	9.2
95.04942	1.1
95.08001	0.9
95.08581	17.2
97.06516	1.4
99.70909	0.5
105.07022	11.6
107.07876	0.6
107.08581	14.7
109.10139	6.6
111.08051	1.2
117.06992	0.7
119.08560	15.2
121.06417	1.2
121.10128	12.1
123.08059	0.7
123.11679	4.3
131.08516	3.1
133.10118	9.3
135.08005	1.0
135.11668	10.4
137.13274	0.9
139.11171	0.8
141.06981	0.9
143.08566	3.5
145.10097	4.8
147.11665	7.7
149.09639	2.5
149.13239	2.8
154.58124	0.7
155.08507	1.0
157.10139	4.6
159.08069	1.0
159.11665	4.8
161.09590	5.1
161.13222	3.6
165.09167	0.7
169.10156	1.1
171.05142	0.5
171.11713	3.2
173.13234	4.2
175.11111	0.8
175.14778	10.7
177.16348	2.2
183.11716	2.5
185.13194	0.7
187.11090	1.1
187.14778	5.5
189.12643	1.1
189.16342	17.4
191.17926	2.4
195.48189	0.7
197.13228	3.1
199.14781	5.0
201.16425	3.5
205.15956	0.7
207.17418	2.5
211.14929	0.9
213.16383	2.9
215.14285	2.9
215.17929	0.7
217.15849	9.9
227.17949	0.8
229.15919	0.9
235.16891	7.3
241.19455	1.2
245.19026	0.9
247.17091	0.6
253.19493	2.4
257.19055	1.0
267.21072	1.0
271.20554	7.4
285.22116	0.9
317.21060	1.3
407.33203	0.9
425.34155	10.2
435.32346	0.9
453.33972	0.7
471.34607	100.0
472.34738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.05505	13.5
57.07068	7.8
59.91728	0.9
64.86707	0.9
67.05487	19.3
68.06764	0.8
68.94695	0.8
69.07058	23.2
71.04986	1.5
71.08601	1.3
76.89275	1.0
79.05469	10.3
81.07037	32.9
83.04967	2.3
83.08601	10.5
85.06526	7.6
87.22588	0.8
91.05441	10.1
93.07024	30.0
95.04925	1.2
95.08588	50.1
97.06516	6.3
97.10168	5.2
99.04444	4.1
101.05983	4.0
105.07010	28.4
107.08576	53.1
109.06513	3.9
109.10138	44.3
111.08026	1.1
111.11631	1.0
115.07539	1.9
117.07000	5.1
119.07705	1.8
119.08559	51.4
121.10126	52.0
121.10978	2.3
123.08064	2.5
123.11674	20.0
125.09592	1.2
127.07513	1.2
128.06200	0.9
129.06979	1.9
131.08542	19.2
133.10094	35.8
135.08040	4.9
135.11671	27.5
137.09618	1.6
137.13237	6.4
141.09126	1.5
142.07851	1.0
143.08540	10.8
144.09355	1.3
145.10112	34.5
147.11655	24.1
149.09599	4.6
149.13292	8.8
151.11157	2.2
153.09103	2.3
156.09352	1.0
157.10080	17.6
159.11662	27.6
161.09503	0.9
161.13190	10.5
163.07503	1.4
163.11172	5.3
163.14769	10.3
167.10657	5.4
169.09982	1.9
170.10841	1.1
171.11662	14.3
172.55045	1.0
173.13228	20.5
175.14781	13.0
177.09041	2.2
177.12782	5.4
177.16415	4.7
181.10028	1.0
181.12187	4.6
183.11729	1.8
185.13257	12.2
187.11165	1.7
187.14784	30.9
189.12817	1.1
189.16360	16.2
191.17960	2.0
195.13773	3.9
197.13066	1.6
199.14772	8.8
201.16365	16.3
203.17975	6.1
211.14922	1.4
213.16377	9.7
215.17894	9.1
217.15872	1.2
223.16948	5.4
225.16460	1.3
227.17813	11.5
228.18715	2.0
229.15996	1.5
229.19447	14.8
235.16896	4.5
237.16426	1.2
237.18320	7.9
241.19502	15.8
243.21062	4.7
247.16899	6.4
255.20982	18.0
261.18488	1.7
269.22626	5.0
275.20032	1.5
287.19980	2.0
301.21747	1.9
329.24799	1.6
343.26541	1.4
389.31943	2.0
407.33026	13.5
425.34076	100.0
435.32489	4.2
453.33508	10.3
469.41089	1.1
471.34592	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05502	4.3
67.05486	5.4
69.07050	7.0
76.68243	0.8
79.05482	4.7
81.07037	13.4
83.08609	4.7
89.89730	0.8
91.05452	4.5
91.69561	0.9
92.09016	1.3
93.07014	11.2
95.04957	1.4
95.08570	19.6
105.07010	14.0
107.08566	23.5
109.06496	1.2
109.10129	11.2
111.08061	4.7
119.08560	20.5
120.87284	0.9
121.06469	1.8
121.10121	17.5
123.08024	1.5
123.11679	7.9
125.09599	1.2
131.08553	3.6
133.10107	18.2
135.07996	8.4
135.11664	9.9
143.08578	1.0
144.01952	0.8
144.15596	0.9
145.10107	6.5
147.08078	1.3
147.11662	16.5
149.09587	6.3
149.13200	3.8
153.09065	2.0
157.10106	2.0
159.11676	5.8
161.13235	8.4
163.14832	1.4
170.10902	1.3
171.11642	1.0
173.13222	6.2
175.11176	2.1
175.14792	7.7
177.12659	1.0
177.16370	2.1
179.14395	1.0
185.13226	3.4
187.14796	6.3
189.12709	1.5
189.16335	21.3
191.14217	1.4
199.14784	3.9
201.12785	1.1
201.16356	3.4
203.14293	2.2
203.17903	13.5
215.14136	1.0
215.17989	1.1
217.15877	4.0
231.17517	1.0
243.21086	1.9
257.22562	1.9
290.94986	1.0
307.15738	1.3
331.22693	3.9
343.60126	1.1
407.32730	1.5
425.34244	1.2
453.33572	4.6
467.32266	1.1
471.21286	6.7
471.34589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3466
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05493	17.6
57.07047	9.6
64.79637	1.8
65.48392	2.0
66.73891	1.8
67.05492	25.4
68.53020	1.8
69.07045	29.6
71.51095	1.8
74.09573	1.8
74.51235	1.9
79.05452	15.2
81.07026	55.3
83.08589	10.5
86.15520	2.2
91.05448	23.1
92.08673	2.4
92.09174	5.7
93.07016	56.6
94.25286	2.1
95.08575	98.6
105.07008	55.8
107.08564	84.7
109.06503	3.8
109.10126	50.8
111.08061	3.0
114.37099	2.2
114.74498	2.1
117.06973	4.6
119.08550	100.0
121.06480	2.2
121.10098	60.0
123.08038	4.9
123.11656	26.5
131.08524	30.9
133.10098	79.6
135.07973	3.7
135.11659	33.5
135.48848	2.4
139.11099	2.6
143.08542	11.1
144.09348	5.3
145.10086	53.0
147.07967	4.7
147.11646	44.7
149.13220	30.8
153.09056	3.6
157.10065	23.8
159.11636	40.3
160.12404	2.2
161.09575	9.1
161.13210	26.1
163.14783	32.8
169.10071	8.1
171.11647	20.2
173.13217	34.0
175.11166	3.8
175.14792	39.7
177.16345	18.1
179.14404	2.7
183.11633	3.0
185.13260	12.0
187.11188	2.5
187.14764	58.1
189.16318	70.9
191.14346	2.4
191.17804	2.8
197.13226	5.1
199.14842	15.1
201.16359	44.9
203.17924	19.2
213.16367	16.0
215.17854	31.8
217.15918	3.9
225.16212	2.9
227.17909	15.2
229.19437	21.0
239.17796	4.8
241.19426	11.6
243.20992	3.9
247.16849	11.4
249.18391	4.1
253.19513	9.2
255.21130	3.6
257.18994	2.8
261.18417	22.6
267.20984	10.7
269.22565	4.2
281.22607	3.8
285.22006	3.7
289.21393	2.8
303.19342	3.5
359.07886	2.5
363.30090	3.9
377.31876	14.4
378.70767	2.0
389.31815	12.3
395.33090	2.4
407.32880	38.4
423.32498	52.9
425.33829	9.2
435.32663	23.7
441.33768	4.1
453.33472	38.1
471.24414	10.9
471.34207	12.5
496.77667	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	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05503	16.8
57.07069	5.8
57.59385	2.6
59.78490	2.9
67.05489	13.3
69.07056	30.6
79.05475	12.2
81.07052	33.5
83.08611	7.2
83.30704	2.8
88.60575	2.8
91.05455	17.4
93.07021	35.8
95.08588	56.8
97.10201	4.9
105.07011	43.7
107.08584	77.6
109.06464	3.2
109.10141	44.6
117.06992	6.5
119.08559	100.0
121.06519	3.3
121.10131	61.5
123.08066	3.1
123.11668	21.0
125.63035	3.4
129.07002	5.9
131.08548	28.9
132.01332	3.0
132.08826	2.9
133.10095	70.0
135.11682	27.1
137.09593	3.6
137.13200	4.4
143.08560	15.3
145.10115	62.0
147.11662	30.4
149.13231	19.6
155.08661	3.4
156.09369	4.6
157.10062	23.7
159.11667	49.2
161.13235	33.0
163.11295	3.4
163.14804	17.8
165.12659	3.3
169.10052	3.5
171.11639	14.5
172.22203	3.2
173.13211	31.0
175.11186	5.6
175.14778	37.9
177.12706	3.8
177.16359	18.8
183.11783	4.8
185.13225	12.1
187.14806	42.5
189.16333	35.1
191.14111	3.3
193.15846	6.6
197.13246	6.3
199.14793	16.8
201.16371	64.2
203.14449	4.2
203.18002	17.0
205.15807	5.4
213.16357	19.8
215.17897	25.8
217.15932	4.6
219.17462	15.7
227.17999	14.8
229.19463	18.5
231.17285	3.4
235.16792	4.1
241.19409	3.3
247.16847	14.5
255.21135	5.5
265.52023	3.5
303.04520	3.8
366.04135	3.3
389.31815	5.1
393.26666	3.0
407.33121	22.2
425.34082	16.9
435.32788	35.7
453.33893	31.7
471.23016	14.2
471.29291	3.8
471.35114	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3466
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03933	2.4
55.05502	14.3
57.03420	2.2
57.07059	11.4
59.04965	1.8
60.79809	1.6
62.95381	1.7
67.05228	1.5
67.05492	22.1
69.07059	29.8
79.05467	15.0
81.07039	51.3
81.30585	1.6
83.08594	11.4
85.37241	1.7
91.05462	18.2
93.07027	36.3
93.27180	2.2
95.04978	2.1
95.08002	4.1
95.08587	97.2
97.10159	7.5
105.07016	46.1
107.08580	74.3
109.06528	2.9
109.10149	51.5
111.08064	3.2
117.06994	13.0
119.08562	100.0
121.09261	2.5
121.10122	64.3
123.08034	3.3
123.11688	33.6
125.09690	2.2
130.07736	3.4
131.08536	34.5
133.10100	83.8
133.71446	2.0
135.08047	4.8
135.11664	28.4
137.13222	17.9
143.08578	15.3
144.09366	2.3
145.10117	75.0
145.42456	2.0
147.11667	32.7
149.09557	2.7
149.13260	14.2
151.11232	2.6
151.78772	2.6
153.09093	2.1
154.52577	1.9
156.09291	3.9
157.10085	22.7
159.08080	2.4
159.11659	59.9
161.09570	3.3
161.13210	26.0
163.07510	4.1
163.11142	2.6
163.14798	17.7
165.16389	3.3
169.09988	6.7
171.11658	19.7
172.12454	2.3
173.13220	34.6
175.14793	33.7
177.09082	3.6
177.12656	3.4
177.16351	19.6
183.11719	10.1
185.13240	11.7
186.13916	3.2
187.14769	49.0
189.16310	30.8
191.14265	3.0
191.17894	8.6
193.15814	4.1
197.13257	4.4
199.14830	18.4
201.16357	60.0
203.17940	7.6
205.15781	3.8
211.14784	4.8
213.16331	12.5
215.17966	18.5
217.15863	2.9
219.17424	20.6
227.17924	8.6
229.19437	13.5
231.17488	3.7
233.18929	7.5
235.16866	4.7
237.18423	6.8
241.19518	4.5
247.16855	18.8
253.19621	2.6
255.21021	3.2
257.15323	2.2
293.22623	4.2
311.23709	7.6
319.24432	2.4
389.31940	11.8
407.33005	29.2
425.33966	13.6
435.32565	44.1
437.34009	4.2
453.33716	31.0
471.34549	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	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04109	3.9
55.05494	28.0
57.07072	11.1
67.05482	26.3
69.07057	57.1
71.04976	5.7
72.49786	3.8
79.05474	24.1
81.07050	65.8
81.93398	4.1
83.04935	5.3
83.08594	25.4
85.06528	4.6
90.08566	3.9
91.05462	9.5
92.08927	11.0
93.07035	63.1
95.08588	98.7
97.06506	8.1
105.07016	47.3
107.08569	90.4
109.10131	65.5
119.08563	100.0
121.10121	68.8
123.11657	37.8
131.08575	36.5
133.10101	69.6
135.08075	18.4
135.11661	38.6
137.13217	8.4
143.08560	9.5
145.10095	79.9
147.11681	42.1
149.09608	6.5
149.13239	23.2
153.09074	17.7
157.10078	9.7
159.11673	30.4
161.13266	31.6
163.11174	7.1
163.14778	28.0
167.10594	6.9
171.11668	10.7
173.13254	26.8
175.14801	36.2
177.12785	7.9
177.16353	10.6
185.13300	7.6
187.14777	96.3
189.16299	53.1
191.17953	5.5
195.13776	7.5
199.14780	20.7
201.16345	67.5
203.17885	20.6
213.16350	27.5
215.17896	22.2
223.16875	8.1
227.17963	10.0
229.15891	6.3
229.19479	19.5
237.18474	5.5
241.19470	18.4
247.17041	5.5
255.20959	10.2
261.18460	4.8
396.08987	5.8
407.32819	27.5
425.34167	82.7
435.32599	6.6
453.33469	6.7
471.34381	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	471.3468
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
50.37966	1.4
53.03941	1.4
55.05503	18.1
55.12336	1.6
57.07064	4.1
58.02112	1.6
60.49810	1.5
67.05486	15.9
69.07055	22.0
72.57995	1.4
76.56512	2.2
77.10609	1.6
79.05472	10.6
81.07036	38.5
83.04974	2.8
83.08600	10.9
85.06520	8.0
89.42197	1.5
91.05441	13.1
93.07024	33.4
95.08578	52.4
97.06532	8.6
97.10114	2.7
101.05980	2.5
105.07014	26.9
107.08578	60.9
109.06474	3.4
109.10141	44.7
117.07014	3.8
119.08562	45.9
121.10118	43.4
123.08082	2.1
123.11691	21.9
131.08533	14.4
133.10118	36.2
135.08061	2.2
135.11661	26.9
137.13188	6.5
143.08542	10.6
145.10097	30.2
147.04214	1.9
147.07976	2.0
147.11646	22.4
149.13213	9.3
151.11180	1.9
153.09090	3.4
157.10078	18.2
159.11679	27.8
161.09616	2.2
161.13208	12.8
163.11140	2.6
163.14780	8.3
167.10645	3.3
171.11650	15.7
173.13225	19.8
175.14780	12.6
177.09006	2.7
177.12810	2.7
177.16446	2.5
181.12206	3.5
185.13234	10.2
187.14778	31.0
189.16319	13.7
195.13739	3.1
199.14784	9.6
201.16330	17.2
203.17931	2.7
209.02858	1.8
213.16414	13.2
215.17934	9.5
223.16800	3.1
227.17938	13.2
228.18646	3.9
229.19479	18.0
237.18382	3.6
241.19476	12.4
243.21120	2.3
243.87578	1.8
247.16890	7.8
255.21153	17.7
269.22470	3.7
281.22614	2.1
309.25882	2.0
312.57535	1.8
320.24985	1.8
325.28683	1.7
403.03058	1.8
407.32861	10.0
425.34045	100.0
435.32858	6.1
453.33401	10.4
471.34750	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	471.3467
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05509	21.6
57.07069	6.1
65.12457	2.3
67.05258	1.9
67.05495	29.9
69.07057	30.9
69.07381	3.7
71.04974	5.6
79.05483	29.9
81.06589	4.6
81.07032	78.0
83.08588	13.3
85.06513	3.8
91.05447	30.0
93.07018	77.3
95.04952	39.5
95.08582	100.0
97.06472	5.1
97.10118	2.6
99.08023	2.6
105.07014	70.1
107.08573	96.8
109.06516	15.7
109.10135	62.8
111.08051	5.9
111.99337	2.8
115.05400	2.7
117.06996	6.0
119.08553	95.8
121.06406	3.6
121.10123	77.0
123.08076	5.2
123.11682	39.2
129.06941	3.9
131.08566	32.6
133.10123	60.5
135.08011	11.6
135.11659	69.0
137.09589	4.8
137.11047	2.6
137.13272	4.8
142.07722	3.4
143.08540	12.5
145.10103	44.4
147.11646	51.6
149.09622	3.0
149.13257	32.8
151.11145	6.3
155.08679	2.9
156.09314	3.4
157.10153	24.4
159.11650	47.9
161.09637	5.4
161.13214	56.2
163.11183	5.9
163.14743	23.2
165.12772	4.2
169.10135	3.9
171.11646	15.6
173.09618	3.0
173.13222	31.4
175.11188	10.3
175.14816	25.7
177.12662	3.2
177.16339	5.7
183.11665	5.4
185.13231	13.1
187.14705	21.5
189.12805	3.9
189.16310	38.7
191.14290	6.2
191.17909	33.7
197.13187	3.7
199.14775	13.5
201.12671	11.1
201.16394	16.6
203.14186	10.1
203.17897	28.0
205.15817	3.7
207.17429	11.9
210.52145	3.0
213.16325	5.1
215.17964	5.7
217.15833	14.2
217.19446	10.4
225.16386	3.6
229.19415	3.7
235.16885	4.8
257.80740	3.2
263.16315	3.7
349.28708	3.0
367.29916	15.7
368.86514	2.8
383.33011	9.9
385.30930	82.1
393.31479	3.4
407.32877	25.8
425.33606	20.7
435.32330	14.2
443.35187	5.0
453.33701	40.5
471.34793	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03951	1.3
55.05490	15.4
56.35609	1.5
57.07067	2.1
67.05493	16.3
69.03416	1.3
69.07048	18.4
71.04998	1.2
79.05471	15.8
81.07030	26.5
82.41581	1.2
83.04955	2.6
83.08611	16.9
83.44923	1.3
87.84361	1.4
89.64325	1.3
91.05474	14.2
93.07016	32.8
95.04941	7.1
95.08579	33.2
97.06497	2.6
97.10104	2.2
104.59432	1.4
105.07009	34.4
107.04947	1.7
107.08571	48.6
109.06486	2.9
109.10146	23.2
111.08050	5.8
111.11710	1.3
117.06985	7.3
117.99741	1.4
119.08561	41.1
121.06467	6.9
121.10120	41.7
123.08031	2.6
123.11657	10.7
125.09627	2.2
129.06973	2.9
131.08527	25.0
133.10110	40.3
135.08037	6.2
135.11670	18.2
137.09531	2.1
137.13213	1.7
139.11179	2.7
141.07111	1.4
142.07773	2.8
143.08554	15.8
145.10075	25.3
147.07985	2.7
147.11668	21.2
148.49545	1.5
149.09599	3.2
149.13246	6.3
151.11125	1.4
153.09085	2.5
155.08539	2.9
156.09329	1.8
157.10095	23.8
158.10883	1.8
159.08063	1.6
159.11679	22.8
161.09589	2.8
161.13219	23.5
163.11172	2.4
163.14767	17.0
168.09312	2.3
169.10078	16.8
170.10954	1.6
171.11650	22.4
173.13190	15.8
175.11163	2.4
175.14757	15.8
177.12801	1.6
177.16360	3.0
179.14290	2.9
182.13017	1.5
183.11641	33.6
184.12363	3.0
185.09599	1.8
185.13235	14.9
187.11150	2.0
187.14725	12.6
189.16310	18.7
191.17921	2.7
193.15770	1.5
195.11667	3.3
197.13185	19.9
199.11290	1.7
199.14748	11.7
201.16365	11.4
203.17854	10.5
205.15858	3.4
209.13206	5.4
210.13980	2.1
211.14723	10.5
213.16357	7.6
215.10632	13.7
215.18001	2.3
217.12175	1.9
223.14774	6.2
223.16866	2.2
225.16220	5.1
227.17879	14.3
229.19423	6.4
231.17464	1.8
235.16908	8.5
237.16347	3.0
239.17891	1.8
245.18880	3.1
251.17709	2.0
253.19435	55.6
255.21037	2.7
267.20999	6.8
299.16586	3.4
299.19986	100.0
304.86786	1.4
313.21539	1.9
325.21521	2.1
327.19501	1.9
339.23077	13.9
352.20670	1.6
389.32324	4.6
407.33066	11.1
425.34296	16.8
435.32822	17.9
451.23907	3.4
453.33755	41.4
471.35330	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	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07920	1.5
52.43814	1.5
55.05500	18.5
57.07060	7.3
62.35813	1.6
67.05486	18.6
69.07047	22.9
74.84100	1.8
79.05470	15.5
81.07036	36.7
83.04928	2.4
83.08610	16.9
91.05466	19.2
93.07012	40.3
95.04955	4.6
95.08582	61.4
97.06520	3.0
97.10144	3.2
105.07001	50.0
107.04954	2.6
107.08571	70.4
109.06483	4.6
109.10127	35.2
111.08076	4.6
117.07009	12.8
119.08553	82.2
121.06515	4.0
121.10118	74.7
123.08028	4.7
123.11639	19.3
125.09629	2.1
125.52975	2.1
129.06987	3.4
131.08543	35.6
133.10103	60.3
133.11134	2.3
135.08044	9.2
135.11670	33.4
137.09605	3.0
137.13280	2.4
143.08566	12.9
144.09344	2.4
145.10092	63.1
147.11671	30.3
149.09604	11.5
149.13214	14.7
153.09097	4.6
155.08499	1.9
157.10126	18.4
159.11665	54.7
161.13234	23.8
163.07465	4.6
163.11234	3.2
163.14760	14.8
165.12672	2.3
168.09187	2.1
171.11658	15.0
172.12399	3.1
173.13229	21.9
175.14749	25.6
177.09068	13.5
177.12727	2.5
177.16368	12.9
183.11632	2.6
185.13272	11.1
187.11153	1.9
187.14761	37.1
188.15437	1.9
189.16348	31.0
191.17892	20.0
197.13367	2.5
199.14793	13.6
201.16353	68.7
203.14397	4.6
203.17996	11.7
205.15828	27.7
207.17380	4.1
209.13298	2.6
211.14818	2.7
213.16391	4.7
215.17946	11.3
217.16083	2.2
218.29004	1.8
218.77515	2.0
219.17432	13.4
223.16942	4.0
225.16356	3.1
227.14322	2.2
227.17812	2.9
229.15979	3.3
229.19493	3.6
233.18924	2.7
235.16982	4.5
237.18497	3.2
241.19659	2.3
245.15298	2.0
245.19127	2.7
247.16832	32.8
253.19481	2.4
255.21175	2.8
307.18851	7.9
327.01489	2.0
383.92648	2.2
389.31958	4.1
407.33054	16.4
425.34100	10.1
435.32660	12.1
453.33588	11.3
471.23569	100.0
471.30020	7.9
471.35593	18.8
472.23599	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	471.3466
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.35822	1.5
52.65394	1.5
52.98592	1.8
55.05494	14.1
57.07046	1.8
59.68464	1.8
59.97620	1.7
61.32427	1.9
67.05481	9.3
69.07052	18.6
70.06509	1.8
79.05479	11.4
81.07038	27.8
83.08598	9.7
89.65859	2.1
91.05460	12.2
93.07015	26.5
94.57388	1.9
95.08582	52.4
97.06492	2.5
97.10146	4.2
105.07016	36.5
107.08583	50.8
109.06480	3.4
109.10146	29.2
109.58792	1.9
111.08037	3.1
117.06997	8.4
119.08550	69.9
121.10129	46.0
123.08054	8.5
123.11681	13.5
129.06995	2.2
131.08545	14.1
133.10110	49.5
135.08044	5.0
135.11656	20.3
137.13199	2.9
142.07846	2.2
143.08575	9.9
145.10120	40.0
147.11678	31.7
149.09619	4.4
149.13240	10.4
157.10100	12.2
159.08012	2.8
159.11659	33.2
161.09624	3.1
161.13235	17.6
163.11147	2.2
163.14771	12.7
169.10115	2.9
171.11682	12.6
173.13214	24.0
175.11201	3.3
175.14781	26.7
177.09094	3.7
177.16350	3.5
183.11665	3.1
185.13235	8.4
187.14786	28.5
189.16333	29.1
197.13264	3.7
199.14842	11.3
201.16382	32.0
203.14304	19.8
203.17947	15.9
207.17346	2.7
213.16446	2.8
215.17944	11.7
217.15912	15.1
219.17422	11.2
227.17963	3.7
229.15887	2.2
229.19456	3.1
237.18427	2.6
241.19487	4.1
247.16953	9.5
255.21097	2.5
257.22556	3.1
293.22293	2.5
297.22086	2.8
303.22476	2.0
311.23645	3.0
329.24649	2.2
331.22784	3.5
371.53879	2.4
389.31940	8.6
391.90021	2.3
407.33081	16.1
425.28397	3.7
425.34048	85.7
435.32532	20.9
453.33466	17.3
458.36966	2.2
471.34592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.5
53.03936	1.1
55.01856	2.1
55.05505	10.7
57.03209	0.4
57.03432	7.1
57.07056	2.1
59.10936	0.4
61.02913	11.3
63.23979	0.4
67.05486	0.7
69.03415	17.1
69.07054	82.1
71.04975	2.4
73.02900	5.5
76.56435	0.4
81.03397	8.0
81.07027	0.5
83.01348	0.4
83.04955	0.7
83.08617	4.7
85.02891	100.0
85.10172	0.7
87.04449	2.9
88.79166	0.4
91.03934	5.2
95.08584	4.2
96.08919	0.8
97.02869	25.3
97.10152	0.6
98.10445	0.4
99.04440	3.9
103.03967	0.5
109.02876	8.4
111.11703	22.8
113.09634	0.9
115.03900	0.7
121.28832	0.4
121.33044	0.4
123.08093	0.7
125.96855	0.5
127.03898	20.2
129.12732	30.7
141.09067	6.0
142.09412	3.5
145.04944	29.8
147.04408	2.9
147.13789	2.2
159.10117	4.6
160.10474	2.6
163.05965	10.8
248.44206	0.5
271.07999	0.6
325.11026	0.7
351.46582	0.4
391.98309	0.4
471.18060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.3
53.03933	0.6
55.01862	1.2
55.05502	9.9
57.03426	2.7
57.07064	3.9
59.05001	0.4
61.02911	4.6
67.05488	1.2
69.03416	9.0
69.07052	100.0
71.04975	1.0
73.02881	1.6
76.73273	0.2
81.03391	3.2
81.07031	0.3
81.86101	0.3
83.08603	9.0
85.02885	39.2
85.06508	0.2
85.10175	1.2
87.04465	1.1
91.03918	1.9
92.08950	1.1
95.04916	0.2
95.08606	0.4
97.02863	9.5
99.04424	1.7
100.11228	3.6
101.02380	0.2
103.03905	0.3
109.02854	3.5
109.10153	0.5
110.39227	0.2
111.11697	33.5
115.03896	0.4
123.11761	0.3
127.03878	7.5
129.12726	42.1
137.09622	1.0
141.09120	0.3
142.09502	0.4
145.02913	0.5
145.04944	8.5
146.06018	0.3
147.04390	0.5
147.06342	0.2
147.13763	7.1
163.05978	2.8
174.05428	0.4
177.05502	0.9
182.15431	0.5
195.10161	0.2
209.16539	0.4
210.14825	0.5
226.69890	0.2
228.30586	0.2
241.67325	0.3
471.18320	0.4
471.35394	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	471.3465
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.43610	0.7
53.34541	0.7
55.05500	4.7
57.03418	1.3
57.18314	0.7
59.17160	0.6
59.99958	0.7
67.05483	7.5
69.07050	5.6
71.04965	1.0
79.05482	6.5
81.07034	16.3
83.04950	0.8
83.08598	1.7
91.05470	3.8
93.07023	16.3
95.04945	10.6
95.08585	25.2
97.06523	1.7
97.10147	1.0
97.38150	0.7
105.07013	14.6
105.07662	1.0
106.54337	0.7
107.08575	22.0
108.54050	0.9
109.06525	1.7
109.10161	14.7
111.08086	1.2
115.22429	0.7
117.07008	3.9
119.08553	19.3
121.06496	1.1
121.10119	20.6
123.04401	44.7
123.08064	4.2
123.11734	7.1
125.09570	1.1
131.08540	8.4
133.10092	15.6
133.88014	0.8
135.08047	1.1
135.11668	16.7
137.05963	4.6
137.09573	0.9
137.13309	1.0
143.08560	4.3
145.10100	10.5
147.07965	1.0
147.11658	10.6
149.09584	1.2
149.13225	6.2
151.07568	4.1
151.14767	1.0
157.10097	5.4
159.11653	13.7
161.09561	1.4
161.13217	7.4
161.86578	0.8
163.07524	1.7
163.14830	4.6
164.38539	0.9
165.09119	3.6
168.46315	0.8
169.10143	0.9
170.10893	1.0
171.11691	4.7
173.09700	1.0
173.13232	4.7
175.11177	1.1
175.14827	5.3
177.09068	2.0
177.12767	1.2
177.16393	1.7
185.13281	4.1
187.14777	6.0
189.12766	1.6
189.16339	10.0
191.10419	1.0
191.17880	6.7
199.14821	3.8
201.12921	0.9
201.16367	5.0
203.14418	3.8
203.17992	4.4
205.12283	1.5
205.15878	1.0
213.16472	1.1
215.17937	1.3
217.15826	1.7
217.19479	1.1
229.19427	1.2
245.15401	4.1
254.21791	0.9
407.32785	1.5
425.34055	11.7
435.32462	3.5
453.33701	4.1
455.90164	0.9
471.34668	100.0
472.35229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83324	0.4
55.01860	0.7
55.05264	0.6
55.05505	8.4
55.05946	0.4
57.03425	5.1
57.07061	4.3
57.07528	0.4
59.04986	2.2
59.38712	0.4
60.04502	0.5
61.02926	0.5
62.51310	0.4
67.05490	40.2
68.03884	0.4
69.03416	10.1
69.07050	5.1
71.04974	50.5
71.08613	1.1
73.02917	0.8
79.05479	4.0
81.03403	1.0
81.07037	100.0
83.04962	0.8
83.08608	3.5
85.02885	9.9
85.06525	19.2
87.04483	3.5
87.04910	0.5
91.05453	0.7
92.08785	1.2
92.09258	0.6
93.07040	0.8
95.04948	0.7
95.08585	14.7
96.08896	1.2
97.02861	6.6
97.10161	3.1
98.97576	0.7
99.04433	0.6
99.08069	8.0
100.08390	0.8
109.02854	0.8
109.10105	0.5
111.97770	0.5
113.09628	2.1
114.09937	0.5
115.03909	4.1
115.07573	0.5
121.06414	0.6
123.08068	2.4
123.11682	27.2
124.07558	2.3
127.03905	1.0
133.04974	2.6
133.90370	0.5
135.07982	0.6
140.07060	2.6
141.07399	0.5
141.09091	4.3
141.12717	82.2
142.09456	2.5
147.04416	2.0
159.10182	4.7
159.13774	27.9
160.10529	2.2
167.07021	1.1
177.05470	2.8
177.14824	49.5
179.66341	0.5
182.08121	0.5
197.01279	0.5
226.52032	0.5
228.07349	0.8
308.16788	0.7
309.17502	0.5
336.55002	0.5
348.39954	0.5
471.14325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67554	0.2
51.92953	0.2
53.03928	1.3
55.01863	0.4
55.05492	1.6
57.03425	3.7
57.07054	0.3
59.04982	1.0
61.02891	0.5
67.05496	4.1
68.05824	0.3
69.03414	8.3
69.07042	0.9
70.03729	0.4
70.06558	1.3
70.72920	0.3
71.04977	6.4
72.08130	1.4
73.02886	0.3
74.06060	0.3
75.04449	0.3
79.05458	1.0
81.03397	4.2
81.07031	10.3
82.07359	1.3
83.04954	0.6
83.08584	1.9
84.08108	0.3
85.02885	9.5
85.06512	1.8
86.03190	0.4
86.09689	2.3
87.04442	3.4
89.06009	7.9
91.05444	1.3
93.07027	1.2
95.04929	0.5
95.08599	2.0
95.26907	0.2
97.02255	0.5
97.02865	10.5
97.06496	0.4
97.10149	0.4
98.03220	0.3
99.04437	1.5
99.08078	1.6
105.07008	0.5
107.04918	0.3
107.08541	0.3
109.02850	1.9
109.10129	1.3
111.04461	0.3
111.08034	1.3
115.03906	2.9
117.03342	0.5
119.04889	0.3
119.08543	0.5
121.06548	0.3
121.10095	0.4
122.03615	0.5
123.11683	6.9
124.12022	1.5
127.03892	3.3
129.09056	0.4
129.10214	0.3
131.08485	0.3
133.02820	19.8
133.04910	2.1
136.07480	0.5
137.05952	3.7
137.09569	0.6
138.09050	0.3
139.11139	0.3
141.12720	8.2
142.13078	1.7
145.02846	0.3
145.04962	2.0
147.04384	1.6
147.09114	0.3
149.05984	1.8
149.09598	0.4
150.07533	0.3
157.10219	0.3
159.13739	3.4
163.03889	0.4
164.07098	0.5
165.01294	0.3
165.05405	2.0
165.07529	0.3
167.07065	0.4
175.08627	5.8
177.05414	0.3
178.02579	8.8
185.16518	0.4
193.04926	100.0
291.13318	1.2
309.14401	3.1
375.54636	0.3
471.17743	1.1
471.22336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36665	0.4
52.98832	0.5
55.01840	0.5
55.05297	0.6
55.05506	9.2
56.11918	0.4
57.03426	6.1
57.07068	5.0
59.04977	3.1
61.02925	0.8
67.05137	1.3
67.05493	34.9
69.03417	13.6
69.07051	5.0
71.04977	70.3
71.08607	0.8
75.04457	0.5
79.05477	3.4
81.07041	97.4
83.04958	3.6
83.08621	4.4
84.05305	0.6
85.02892	12.6
85.06532	20.0
87.04452	5.1
88.51717	0.5
90.51952	0.5
93.07004	0.9
95.08594	14.3
96.08938	2.5
97.02879	9.0
97.06518	2.7
97.10143	2.9
98.06866	0.7
99.04438	1.0
99.08088	7.0
104.50908	0.5
115.03904	4.8
115.07523	0.9
123.08073	2.5
123.11685	22.0
127.03922	0.8
127.80663	0.5
129.09064	0.9
133.04976	3.6
141.09109	12.8
141.12727	100.0
142.09389	6.6
147.04340	0.7
159.10146	8.5
159.13782	56.8
160.10478	4.4
163.04001	0.7
177.14828	38.2
213.21710	0.6
219.08054	0.5
258.10403	0.6
289.14447	0.7
292.81680	0.7
339.20135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50645	9.0
55.05511	25.9
57.07072	14.9
62.50385	9.2
64.33568	10.5
67.05500	91.9
69.07051	66.2
76.56297	9.7
79.05471	49.9
81.07034	80.1
83.08614	12.8
86.28572	9.8
86.83067	12.7
89.06019	13.2
93.07021	61.1
95.08575	100.0
109.10175	16.8
110.44591	9.5
120.84239	10.4
121.10136	52.1
127.23706	11.0
131.97404	11.7
139.11195	14.5
148.35069	12.5
174.24220	11.0
195.88782	11.4
216.12810	13.4
238.00137	12.6
248.84091	14.4
279.23123	13.2
365.03839	12.3
417.33685	19.7
435.34607	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	471.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81627	0.9
56.29680	1.1
56.34998	1.0
57.03426	1.6
65.95707	1.1
69.03397	4.8
69.07065	8.3
79.05456	1.0
81.07030	2.0
81.58118	1.0
84.77844	1.1
85.02884	7.6
85.06524	1.3
95.08586	5.4
96.62872	1.2
97.02863	4.4
97.06502	8.1
107.04945	2.2
115.03905	1.6
115.07543	16.0
116.07858	2.0
123.08033	4.4
127.07539	2.4
137.05963	5.8
141.09070	2.9
145.08582	1.7
147.04419	2.3
159.06532	1.5
159.10158	6.6
163.03851	5.5
191.77974	1.4
231.58081	1.3
237.02791	1.2
273.02713	1.9
311.18332	1.3
317.08365	2.7
389.77551	1.3
471.14612	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	470.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.03420	0.5
59.04980	1.7
60.58661	0.2
61.02909	0.4
67.05484	1.3
67.21417	0.2
69.03400	2.0
69.07053	37.5
69.17877	0.2
69.89233	0.2
73.06539	4.6
79.05475	0.4
81.07038	3.9
83.04967	0.3
85.02890	2.7
87.04439	0.6
91.03957	0.3
92.08733	0.5
95.07996	0.5
95.08578	11.0
97.02865	1.7
97.06506	40.4
99.08063	1.7
105.06986	0.5
115.07545	100.0
123.08041	7.0
127.03909	0.3
137.05894	0.3
141.09081	10.9
159.10136	40.5
295.00226	0.3
321.15363	2.4
496.64624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29629	0.3
51.40577	0.3
53.03926	0.4
55.05505	26.0
57.03434	5.4
59.04989	0.4
62.05822	0.3
62.50307	0.4
65.68484	0.4
67.05498	3.5
69.03419	7.7
69.07053	19.2
71.04974	1.5
75.82051	0.4
81.03404	0.5
81.07037	2.1
83.04964	12.8
83.08598	1.0
85.02887	6.4
87.04461	3.9
92.08749	0.9
92.09277	0.7
93.07028	0.6
95.08586	44.8
97.02864	6.3
97.06509	2.4
97.10149	14.3
99.04409	0.9
113.09631	21.0
115.03924	2.4
123.08057	7.2
133.04947	2.1
141.09087	100.0
142.27403	0.5
159.10143	50.8
188.65791	0.4
202.14592	0.5
207.81447	0.5
247.21997	0.5
260.36545	0.4
269.35037	0.4
321.15335	1.8
465.74295	0.5
483.58990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82425	0.8
53.03922	1.2
54.82188	0.8
54.84815	0.7
55.01849	1.8
55.05504	13.1
56.11168	0.7
57.03423	36.5
57.07056	6.2
59.04984	23.4
61.02909	1.7
67.05484	6.7
69.03410	100.0
69.07032	1.7
71.01326	1.1
71.04970	16.7
73.02894	1.4
75.04453	5.1
79.05479	1.8
81.03381	7.3
81.07027	25.4
82.06559	2.1
82.07382	0.9
83.04939	3.5
83.08601	24.1
85.02882	79.7
85.06514	4.1
87.04443	66.9
91.05467	0.9
93.07016	1.4
95.04948	3.4
95.08574	3.7
97.02860	82.1
97.06521	1.7
98.09670	2.0
99.04450	6.2
99.08057	1.4
100.07587	4.2
100.11224	65.3
100.59469	0.9
101.06028	1.0
103.03897	1.5
105.19432	0.8
107.08591	1.0
108.10242	0.9
108.42207	0.9
109.02837	5.8
109.10133	8.6
110.06026	1.0
111.04415	8.2
111.08068	3.7
112.07571	1.2
115.03900	92.6
116.10688	1.1
117.48084	0.8
119.04906	1.4
119.08601	1.1
121.02777	1.2
121.10146	1.9
123.04408	1.2
123.11672	63.4
125.02325	0.9
127.03874	9.9
128.07053	5.5
129.05467	1.0
133.04930	79.6
133.10054	2.0
136.07523	1.2
137.06038	1.1
137.07867	1.1
139.03856	1.3
139.08591	2.1
139.11026	0.8
140.07024	1.2
141.12715	67.2
145.04926	16.2
147.04358	1.2
151.03845	1.3
152.36310	0.9
155.10587	1.4
159.13754	17.6
163.03850	1.0
163.06004	4.7
164.07028	3.7
165.07329	0.9
169.04910	2.1
173.11674	1.1
175.06117	1.0
177.05421	1.0
182.15364	22.0
198.14885	1.4
207.06467	0.9
209.16461	22.8
210.14838	20.8
210.87189	0.9
223.05936	1.3
226.19145	7.5
227.17528	1.6
228.15942	1.8
241.07082	4.4
259.08044	9.8
277.09094	4.8
295.10187	24.6
326.27875	3.4
336.22778	4.8
407.43015	1.0
435.33401	8.6
453.34262	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48504	0.3
55.01855	0.4
55.05490	2.7
55.94492	0.4
57.03422	1.9
59.04997	4.0
63.71672	0.3
65.50789	0.4
67.05503	5.7
69.03420	4.9
69.07059	22.7
73.06522	2.3
79.05431	0.7
81.07040	10.3
83.04953	0.8
83.08611	0.7
85.02900	9.5
87.04448	2.6
93.07024	1.0
95.08591	65.7
97.02879	4.2
97.06515	24.5
99.04414	0.9
99.07484	0.8
99.08080	17.7
105.06985	0.9
111.08043	0.7
113.09637	16.8
115.03920	1.0
115.07555	57.5
123.08054	50.6
126.35680	0.5
127.03885	0.9
129.09131	0.6
133.04939	1.6
141.09091	92.8
145.04994	0.7
159.10150	100.0
160.10474	0.8
207.00294	0.4
240.77568	0.5
288.12936	0.5
321.15347	6.5
329.29694	0.5
347.89893	0.6
457.87619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
55.05264	0.5
55.05501	9.2
57.03415	2.7
60.65586	0.4
61.40370	0.4
66.17285	0.4
67.05486	8.1
68.98328	0.4
69.03409	4.8
69.07051	22.9
71.04967	1.1
73.06516	1.8
79.05457	1.0
79.92150	0.4
81.03411	1.1
81.07035	24.2
83.04963	18.2
83.08599	21.1
85.02498	0.4
85.02893	7.5
85.06525	0.6
87.04434	3.1
87.08093	1.6
92.08717	0.9
92.09264	1.1
93.07019	1.0
95.08583	80.1
97.02863	3.9
97.06502	18.0
97.10155	2.1
99.08072	19.1
105.07001	2.6
111.08059	8.7
113.09628	5.3
115.03888	2.1
115.07548	27.2
123.08042	36.7
123.11651	0.6
129.09084	23.2
141.09079	84.7
141.12715	2.0
159.10133	100.0
165.56662	0.5
167.07001	0.7
177.14847	0.4
217.08542	0.6
269.13571	0.5
321.15317	4.7
409.16864	0.5
437.82132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.5
53.03936	0.6
55.05498	3.3
57.03428	7.0
57.07054	0.6
59.04987	4.7
67.05488	6.6
68.05064	0.4
69.03065	0.9
69.03416	18.3
69.06713	0.7
69.07057	13.7
70.06567	0.4
71.04977	1.1
71.08607	2.1
73.02911	0.6
74.06043	0.9
75.04453	0.5
75.76148	0.5
79.05457	0.8
81.03401	1.1
81.07047	3.4
83.04944	0.8
85.02894	16.0
85.06528	0.9
87.04453	8.5
91.05457	0.6
93.07005	3.1
95.04944	2.8
95.08587	64.2
97.02868	15.8
97.06498	2.4
99.04440	2.7
99.08072	2.4
100.11216	0.6
105.07022	0.9
113.09634	4.7
115.03917	9.8
115.07568	2.6
118.06496	0.9
121.10102	0.6
123.04379	2.5
123.08047	56.6
123.11641	0.7
127.03929	0.8
130.06508	1.0
133.04941	4.9
141.09085	100.0
145.04944	0.7
150.07623	0.6
150.51740	0.5
155.07033	1.0
158.05966	0.6
159.10144	66.1
167.07043	1.0
176.06996	1.1
177.05481	0.8
183.06531	1.9
189.05521	0.8
217.08498	0.6
321.15488	3.4
470.17984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3309
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.77587	2.4
54.59306	2.5
54.69667	2.6
55.05498	23.9
55.13797	2.3
67.05483	29.3
69.07059	21.3
70.92359	2.5
74.73658	3.0
79.05478	19.7
81.07034	54.3
83.08606	14.0
91.05464	20.9
93.07022	54.7
95.04961	6.8
95.08582	65.5
97.10155	4.3
100.11221	4.2
105.07014	68.8
107.05022	3.5
107.08572	83.5
109.06501	5.5
109.10156	33.8
111.08073	7.0
117.07005	16.8
119.08551	100.0
121.06473	4.4
121.10112	53.4
123.08035	4.1
123.11683	24.3
125.09595	6.8
127.07545	3.8
128.06186	3.4
129.07008	7.2
131.08539	52.8
133.10085	60.9
135.11693	18.9
137.13251	4.0
142.07826	5.5
143.08553	31.0
144.09299	6.8
145.10114	60.6
147.11655	31.9
149.09584	5.9
149.13234	12.3
155.08540	7.4
157.10091	40.9
158.10867	6.5
159.07999	4.5
159.11664	46.9
161.13190	36.2
163.14775	6.8
169.10074	27.0
171.11662	27.8
173.09627	5.0
173.13211	22.5
175.14754	32.2
177.16396	3.8
181.10120	6.1
183.11699	21.8
185.13332	23.3
187.14810	51.8
189.16330	19.5
195.11646	7.3
197.13309	21.0
199.14774	26.3
201.12756	3.5
201.16345	31.5
205.15820	26.0
209.13226	11.7
211.14841	12.0
213.16318	21.8
215.14470	3.6
215.17940	5.3
222.13971	3.1
223.14781	6.0
225.16333	5.6
227.17915	6.0
227.42290	3.2
231.17534	4.5
239.17921	6.4
241.19344	5.8
253.19409	5.9
279.21024	4.4
291.21085	4.3
309.22153	3.1
387.30307	5.6
405.31485	27.5
423.32413	14.2
433.31082	20.9
451.32187	45.5
469.21869	3.4
469.23914	4.3
469.32010	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.76132	1.7
54.09764	2.3
55.05504	19.7
56.96556	2.2
57.03408	11.3
57.03719	1.9
57.07061	9.1
63.56713	2.1
64.10680	1.9
67.05486	20.8
69.03410	2.9
69.07050	27.7
70.32198	2.4
79.05469	18.8
81.07030	41.6
83.04931	2.1
83.08602	5.0
90.02151	2.0
91.05451	26.3
92.41183	1.9
93.07025	39.7
95.04922	4.4
95.08009	3.0
95.08588	75.9
97.06460	2.6
97.10163	5.5
105.07009	59.4
107.08578	87.5
109.06507	9.5
109.10143	32.1
111.08044	2.0
116.98576	4.0
117.06973	13.0
119.08554	100.0
121.06490	3.4
121.10123	71.6
123.08073	18.9
123.11697	19.7
129.06963	12.8
131.08542	54.8
133.06412	2.3
133.10104	62.9
134.99631	2.8
135.08044	4.2
135.11649	36.9
137.09576	8.3
141.06964	3.4
142.07724	4.2
143.08537	36.3
144.09288	3.6
145.10115	63.8
147.07986	3.1
147.11690	27.6
149.13242	23.1
155.08521	11.5
156.09328	10.8
157.10101	59.0
158.10863	11.0
159.08015	3.6
159.11664	41.9
161.09581	2.7
161.13225	50.0
161.71021	2.2
163.14767	15.9
165.12697	9.4
169.10048	29.0
170.10843	2.5
171.11649	44.5
173.09579	2.4
173.13208	59.0
175.11194	3.2
175.14806	37.1
177.12679	5.4
177.16354	3.9
179.14279	10.7
181.10149	9.9
182.10725	2.2
183.11617	28.7
184.12488	2.6
185.13199	20.0
187.14772	23.6
189.09050	2.7
189.12723	4.5
189.16351	22.2
193.10042	5.2
193.15833	14.7
195.11642	12.8
197.13226	22.6
199.14769	31.3
201.16345	22.7
203.10605	2.9
203.14265	8.1
203.17807	4.1
205.15797	2.8
207.11618	9.1
207.17435	4.0
209.13245	13.3
211.14857	15.5
213.16331	24.4
215.17876	21.9
217.15773	5.2
221.13217	4.9
223.14848	16.1
225.16277	15.1
227.17896	18.6
229.15802	3.7
229.19420	9.1
231.17438	4.2
231.27879	2.4
233.13240	2.7
235.14856	4.8
237.16379	10.9
239.17918	15.0
241.19403	9.5
245.15404	2.6
245.81096	2.5
251.17877	10.8
253.19447	20.5
259.16864	10.6
261.18372	3.7
265.19327	4.7
267.21033	8.6
269.18997	2.8
277.19348	3.2
279.20963	10.1
285.18359	8.3
287.20001	5.3
291.20987	12.5
299.20020	2.7
305.22638	3.3
309.22043	14.1
311.19904	2.6
313.21545	2.6
317.22488	5.1
387.30405	16.7
405.31653	29.4
421.31012	4.6
423.32745	27.6
433.30975	31.1
439.31857	4.6
446.19254	13.7
451.32144	51.0
469.23370	2.6
469.33508	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
51.20247	2.5
53.00283	3.2
55.05499	18.9
57.07077	29.9
58.07395	2.8
66.74518	2.3
67.05488	13.6
69.07043	20.3
70.89503	2.5
71.04980	3.2
71.08614	14.6
72.72805	2.5
79.05471	14.3
81.07021	25.5
83.08598	13.5
85.10159	12.9
89.06021	29.1
90.07012	2.6
91.05450	17.9
93.07030	25.3
93.77460	2.6
95.05007	2.9
95.08580	45.6
95.91557	2.7
99.08071	4.0
105.07013	41.9
107.08579	41.2
109.10125	34.0
111.08015	4.1
111.11746	2.9
112.87391	2.5
117.06987	4.5
119.08543	49.0
119.16132	3.1
121.06429	3.2
121.10121	32.8
123.07980	5.2
123.11668	6.0
129.07013	3.9
131.08588	20.2
133.06555	2.7
133.08549	5.9
133.10085	51.3
135.08006	3.3
135.11678	18.9
139.07455	3.4
143.08539	18.6
145.10086	40.7
147.11687	17.3
149.09576	3.2
149.13234	12.8
155.08615	4.7
157.10071	22.5
159.08092	3.1
159.11668	26.1
161.09511	3.1
161.13257	14.0
163.14789	4.0
169.10112	13.3
171.11699	14.5
173.13228	17.4
175.14790	37.9
177.16347	4.4
181.10173	3.4
183.11620	19.4
185.13229	12.4
187.11124	3.4
187.14804	36.6
189.16402	23.1
194.10939	4.2
195.11734	10.3
197.13139	22.3
199.14862	11.2
201.16370	6.6
203.17993	5.1
210.13972	3.2
211.14848	5.6
213.16331	6.0
215.14320	4.3
215.17851	10.4
217.15857	3.5
221.13199	5.0
223.14784	19.5
225.16284	5.4
227.17960	4.9
229.19432	3.9
231.14032	3.2
233.15292	19.0
235.14799	10.4
235.16982	3.5
237.16476	4.1
251.17926	6.2
253.19492	12.6
261.18600	3.6
265.19333	4.0
283.17416	3.7
307.24106	3.6
309.22073	6.7
319.23981	23.0
339.23227	6.7
365.24664	13.2
387.30478	14.1
405.31461	52.7
423.32571	48.7
433.30765	16.5
451.31534	35.7
452.36572	5.8
469.33078	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	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05502	9.4
57.03439	1.6
57.07067	2.9
58.54559	1.1
59.04982	1.2
67.05495	18.4
69.07056	24.0
70.26922	1.1
71.04977	5.3
76.56314	1.2
79.05477	10.6
79.42508	1.2
81.07046	26.7
83.03146	1.1
83.08600	8.4
91.05463	13.2
92.09357	2.1
93.07024	29.7
95.08589	52.5
97.06519	3.0
97.10120	1.2
105.06308	1.3
105.07001	35.4
107.07872	2.5
107.08582	44.1
109.06502	2.0
109.10137	23.6
111.08104	2.0
113.09622	1.8
117.07001	6.0
119.08561	100.0
121.06488	2.9
121.10130	34.3
123.08012	2.5
123.11704	7.3
128.06232	1.4
129.06972	5.8
131.08539	32.3
133.06537	1.7
133.10104	49.0
133.11125	1.7
135.08008	1.9
135.11650	15.1
137.09583	2.4
137.13274	1.4
139.95731	1.2
142.07747	6.8
143.08543	18.6
144.09341	5.5
145.06451	1.2
145.08965	2.1
145.10106	45.7
147.04398	2.9
147.11670	18.2
149.09592	2.1
149.13226	14.0
155.08543	7.5
156.09340	5.7
157.10097	34.6
158.10878	8.7
159.08028	2.1
159.11664	40.7
161.09612	11.1
161.13200	13.9
163.14783	8.4
163.82339	1.4
167.08531	1.6
169.10063	11.3
170.10840	5.9
171.11644	22.6
172.12396	2.9
173.09680	2.3
173.13222	35.4
175.11115	2.9
175.14806	37.0
177.09114	2.6
177.12648	1.6
177.16364	6.3
181.10094	2.5
182.10948	1.7
183.11708	12.1
184.12444	8.3
185.13246	11.4
187.11166	1.3
187.14812	33.1
189.12776	1.3
189.16380	10.7
191.14249	2.0
195.11711	5.4
197.13190	8.9
199.14801	22.2
201.12646	1.6
201.16365	27.0
203.14229	2.9
203.17900	5.7
205.15729	1.5
207.11697	2.3
209.13278	6.4
210.14015	1.8
211.14848	10.1
213.16339	14.5
215.17918	5.8
217.15862	9.4
221.13254	2.6
221.15263	1.4
223.14778	5.1
225.16367	5.1
227.17979	6.0
229.15866	5.8
229.19347	1.6
231.17380	3.1
235.14725	2.4
235.16885	27.3
237.16473	1.9
239.17874	5.1
247.16910	3.1
249.18527	1.9
251.17943	2.1
253.19556	2.6
255.20804	1.5
261.16251	2.1
267.20554	1.5
279.20795	2.1
291.21063	1.7
309.25598	1.9
317.22397	6.0
319.24408	1.7
333.25995	1.4
337.28973	1.9
355.26163	1.9
361.28876	1.6
387.30396	21.3
405.31451	64.0
422.43362	1.4
423.32565	44.3
433.31070	10.0
451.31931	17.1
469.33130	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	469.331
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
55.05503	41.0
57.03419	5.5
57.07058	4.2
58.05582	2.4
67.05504	34.6
68.64198	3.0
69.07051	30.1
71.04970	6.3
79.05481	28.3
81.07040	41.8
83.08606	28.7
85.06512	3.0
91.05458	23.5
92.09313	7.6
93.07019	59.5
95.04913	3.1
95.08585	85.5
97.06512	5.5
97.10110	3.3
105.07017	43.9
107.08580	97.3
109.06510	5.8
109.10142	84.5
111.08067	15.6
112.54795	2.8
113.09653	5.4
117.06967	14.6
119.08560	75.9
121.10122	95.7
123.08053	21.1
123.11694	12.5
127.11190	3.2
129.06995	4.1
131.08527	36.2
133.10110	67.8
135.08035	14.3
135.11676	64.1
137.09592	6.5
137.13210	3.2
143.08536	30.2
144.75824	3.3
145.10110	65.6
147.11649	39.0
149.09612	18.7
149.13225	17.1
151.11110	2.9
153.09062	6.5
154.02623	2.7
154.07687	2.6
155.08487	15.2
156.09306	10.8
157.10110	54.7
158.10828	3.6
159.11655	44.9
161.09616	4.6
161.13240	32.6
163.14792	23.8
165.12698	3.0
167.08508	5.1
169.10074	24.1
170.10851	3.8
171.11638	48.0
173.09573	3.6
173.13219	33.8
175.11067	4.0
175.14789	43.1
177.12718	3.5
177.16370	11.8
178.33722	2.4
179.08473	3.7
181.10197	18.8
182.10884	5.3
183.11655	37.6
184.12331	4.2
185.13211	35.8
187.14780	59.7
189.16331	31.3
191.14273	3.3
193.10138	3.4
193.15836	17.4
194.10742	3.0
195.11641	24.6
196.12465	4.2
197.13248	77.3
199.11121	4.4
199.14757	19.3
201.16313	19.6
203.17966	12.5
205.15886	5.1
207.11707	11.1
208.12379	10.5
209.13329	30.6
211.14804	33.8
213.12778	5.2
213.16360	14.7
215.14365	5.6
215.17979	14.4
217.15872	10.7
219.11781	3.5
220.12462	5.7
221.13174	14.4
221.15193	5.3
222.14012	4.2
223.14780	29.7
225.16353	12.1
227.17868	14.6
229.15829	2.9
229.19534	24.5
231.17419	3.8
231.58261	2.8
233.13257	4.6
234.13971	3.3
235.14735	22.2
235.16859	5.0
237.16350	20.5
238.17209	2.9
239.17911	11.3
241.19504	4.7
245.28899	2.7
247.14590	5.3
249.16341	16.2
251.17867	20.9
253.19403	24.6
257.22510	3.9
261.16144	9.2
263.17804	12.5
265.19485	26.8
265.29492	2.9
267.20840	4.4
269.18893	3.6
273.18491	4.9
275.20157	22.7
277.19446	13.3
279.20889	5.9
281.15280	4.5
283.20404	26.7
291.21088	10.7
293.22430	6.2
297.18378	6.5
297.21570	3.1
299.20001	12.8
301.21667	22.0
303.21109	3.9
307.24112	5.5
309.22101	9.1
317.22531	6.1
319.24023	38.9
321.22000	3.4
323.20081	4.0
323.23859	3.5
325.21564	4.2
335.23572	11.8
339.23090	16.4
345.25705	4.0
353.24747	3.6
365.24673	65.9
387.30243	25.7
405.31436	100.0
423.32468	59.5
433.31119	32.7
451.26181	4.8
451.32019	81.4
469.33124	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03933	4.0
55.05501	41.2
57.03423	2.4
57.07032	5.1
57.15605	2.8
67.05489	33.4
69.06773	1.9
69.07056	33.2
71.04972	5.3
71.08523	2.1
75.18333	2.4
75.18878	2.6
79.05439	19.0
81.07035	46.8
83.08595	23.4
85.06477	2.9
87.08336	2.5
89.93077	2.6
91.05447	16.9
91.29082	2.4
93.07013	55.6
95.04957	5.6
95.08569	66.6
96.85808	2.5
97.06496	4.2
105.07003	46.3
107.07856	4.6
107.08567	94.2
109.06492	5.3
109.10136	67.2
111.08054	15.9
117.06994	12.1
119.08561	74.8
121.10117	81.2
123.08031	17.0
123.11675	12.8
125.09595	3.4
127.11233	2.6
128.06194	2.7
129.06992	9.5
131.08534	31.1
133.10097	68.4
135.07999	6.0
135.11653	60.5
137.09586	6.2
137.13206	5.3
141.06927	3.1
142.07710	9.3
143.08508	28.7
144.09319	3.4
145.10106	67.5
147.11658	30.6
147.49760	2.3
149.09595	18.0
149.13252	10.2
151.11089	3.5
153.09102	4.2
155.08522	16.2
156.09259	11.8
157.10103	49.4
158.10834	2.9
159.11667	39.7
161.09576	3.6
161.13203	24.9
163.07486	3.7
163.11099	3.4
163.14799	16.3
167.08501	6.0
168.09244	3.8
169.10077	24.3
170.10858	6.1
171.11633	46.8
173.09579	4.1
173.13232	26.9
175.11176	2.7
175.14809	42.0
177.16351	11.6
179.08524	5.9
179.14333	3.4
181.10060	11.1
182.10808	10.6
183.11699	42.7
184.12369	4.5
185.13158	28.6
187.11194	2.8
187.14781	46.0
189.12758	3.9
189.16292	23.7
193.10042	4.9
193.15875	15.5
194.10855	4.6
195.11636	29.2
197.13213	75.4
199.14725	19.4
201.12714	4.5
201.16331	21.6
203.14214	5.0
203.17899	9.6
206.10800	3.6
207.11615	18.7
208.12456	6.1
209.13234	27.7
211.14742	21.3
213.12726	3.2
213.16324	10.6
215.14258	4.2
215.17897	3.9
219.11678	5.2
220.12439	4.0
221.13174	12.7
222.14003	6.1
223.14799	28.7
225.16287	10.5
227.14206	2.9
227.17802	6.1
229.19469	22.4
231.13600	3.8
231.17320	2.9
233.13213	8.9
234.13972	3.8
235.14774	28.8
237.16344	16.6
239.17929	9.5
241.15811	3.2
241.19513	3.1
247.14693	4.4
249.16309	23.8
250.17169	3.5
251.17844	15.0
253.19423	16.2
255.17279	4.1
255.20917	3.5
261.16241	11.3
263.17902	12.0
265.19424	15.1
267.21133	2.8
275.19980	15.1
276.18716	5.0
277.19473	11.4
279.20953	5.3
281.15305	10.8
281.18695	3.4
281.22540	2.9
283.20386	20.0
291.21036	5.2
293.22571	13.7
297.18472	5.2
297.22110	3.4
299.20117	6.1
300.61880	2.5
301.21585	16.5
305.22501	4.2
307.23978	3.8
309.21976	5.7
319.24152	41.3
321.22061	3.4
323.19962	3.4
325.21573	5.4
335.23636	10.4
339.23163	11.7
345.25543	3.3
363.22946	4.8
365.24600	69.3
387.30402	25.4
405.31476	100.0
423.32462	39.2
433.30869	33.4
451.31976	70.2
469.33243	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.4
54.33141	1.0
55.01870	2.5
55.05502	15.3
57.03428	31.8
57.07048	1.3
58.99557	1.2
59.04981	8.0
61.02893	1.5
61.33525	1.1
64.43227	1.0
67.05487	11.3
69.03414	100.0
69.07053	68.7
70.06573	1.9
71.04974	7.3
71.51584	1.1
73.02883	5.5
73.03338	0.9
75.04456	5.5
79.05467	10.9
80.40325	1.0
81.03395	6.8
81.06615	1.7
81.07027	13.6
83.04969	8.1
83.08592	2.3
85.02889	73.9
85.06525	2.2
86.00568	1.1
87.04451	59.5
91.05456	5.7
92.08865	5.1
93.07021	12.1
95.04947	4.8
95.08588	21.2
97.02868	69.6
97.03501	2.7
97.06499	10.8
97.10181	1.6
99.04430	2.0
105.07002	5.2
106.64986	1.1
107.04957	1.7
107.08591	6.5
109.02896	1.8
109.10175	5.4
111.04414	1.6
111.11700	58.8
113.06006	1.4
115.03910	61.1
115.43690	1.2
117.03342	1.8
119.08541	4.8
121.10126	16.4
123.04440	1.9
123.08059	3.0
124.07542	2.0
125.09583	1.9
127.03892	7.7
133.04936	52.6
133.10149	1.4
135.04393	1.7
136.07562	20.6
137.07896	6.4
137.09579	5.1
138.09125	1.4
139.10092	2.8
139.11156	76.0
140.10295	1.3
142.08653	2.8
145.02814	2.4
145.04935	4.5
145.10088	2.0
147.11656	1.7
152.07077	1.2
157.12204	78.2
161.05968	6.2
163.03908	6.5
163.11075	1.4
164.07039	15.4
165.07396	6.1
167.06970	3.0
169.06433	4.8
177.05447	5.1
187.07446	2.1
189.09155	2.0
197.06020	1.4
200.04663	4.4
205.83788	1.2
206.08458	1.2
215.06978	7.1
217.08591	1.8
245.96255	1.3
259.09549	8.6
267.61862	1.2
277.09375	1.6
295.10248	6.2
356.04016	1.5
373.56760	1.3
432.24005	4.8
450.25266	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	468.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01854	4.7
55.05301	0.9
55.05510	15.0
57.03424	5.8
57.07047	1.5
58.99575	5.9
65.03915	1.1
67.05137	2.0
67.05494	52.7
69.03420	8.1
69.07057	14.1
70.06586	2.4
71.04972	13.3
74.00648	10.9
76.02203	9.3
79.05476	43.9
81.03407	1.1
81.07037	60.9
82.06562	1.5
83.04964	6.8
83.08604	5.4
85.01125	2.1
85.02899	5.0
85.06516	8.1
86.00630	1.9
86.09689	4.9
86.99044	4.1
87.02679	3.6
87.04485	1.4
88.03983	9.6
91.05463	26.1
92.08607	1.5
93.06537	1.3
93.07021	51.6
95.04951	7.0
95.08587	57.5
95.09203	2.0
96.08139	1.4
97.01098	4.6
97.02863	4.3
97.06501	9.5
97.10139	2.2
99.08086	1.6
105.00072	4.7
105.07005	31.7
107.04934	4.6
107.08570	24.3
109.06506	4.4
109.10134	18.2
110.10526	1.0
111.02640	8.4
111.04427	1.9
111.08081	4.3
111.11710	1.7
112.02178	1.8
113.06036	1.0
113.09652	5.6
115.03903	1.8
115.05550	1.3
117.06989	9.2
119.08561	20.6
120.01136	14.8
121.06478	4.4
121.10117	38.4
122.02712	15.4
123.02665	1.7
123.08047	25.8
123.11679	5.0
124.99998	1.9
125.05965	5.8
125.09618	4.3
128.06163	1.1
129.06992	4.2
131.08551	13.6
131.10680	1.2
132.01126	1.3
133.04985	1.5
133.10115	18.6
135.08044	6.2
135.11676	17.2
136.07558	1.6
137.04240	1.0
137.05920	1.2
137.09613	1.8
139.07507	4.3
139.11154	15.8
139.78630	1.1
143.08553	1.9
145.10098	12.1
147.08072	1.6
147.11649	10.7
149.09622	2.1
149.13255	1.9
151.07542	5.2
151.11153	2.2
153.07318	1.6
153.09113	2.1
154.15913	1.5
156.13850	1.1
157.08467	1.2
157.12225	4.3
158.02782	1.3
159.11671	4.6
161.09598	3.8
161.13193	2.2
163.11157	6.9
165.07355	1.8
171.11676	4.2
173.13266	5.3
175.11183	1.0
175.14772	1.0
179.08961	2.0
179.10542	3.6
181.12233	6.6
183.11687	1.1
184.07289	5.5
190.71939	1.3
193.12186	0.9
198.73602	1.0
199.13307	1.2
215.17941	5.1
222.09471	1.7
237.09453	1.0
239.17944	1.7
240.10533	1.3
242.12019	1.5
257.18829	1.8
258.15140	1.2
260.13577	1.2
274.14514	1.2
275.20071	6.1
292.49588	1.0
293.21103	7.4
304.12100	2.0
311.22098	6.7
320.15244	6.5
329.23141	7.2
370.24161	1.7
386.23544	3.9
388.25113	2.0
396.22012	1.6
397.20224	1.3
404.24780	1.3
414.22952	6.2
415.21271	2.1
432.24100	39.6
450.25146	100.0
468.26172	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	468.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.6
54.51102	0.4
55.01863	1.0
55.05501	2.1
57.03429	9.0
57.07071	4.9
59.04991	1.8
61.02908	0.7
65.03944	0.4
67.05487	8.6
69.03415	28.7
69.07051	10.9
69.27093	0.4
70.06589	0.5
71.01354	0.5
71.04974	3.3
73.02902	1.0
73.06561	0.5
75.04451	0.8
79.05473	4.2
81.03405	2.1
81.07041	5.9
82.57607	0.4
83.04963	2.9
83.08584	0.5
85.02886	18.9
85.06527	100.0
87.04451	14.9
91.05439	3.1
92.08790	1.2
92.09288	0.6
93.07017	7.5
95.04953	2.9
95.08581	7.4
96.08862	0.4
97.02865	18.1
97.03490	0.6
97.06508	2.9
97.10152	1.9
99.04422	0.8
99.08042	0.4
105.06996	2.6
107.04945	1.0
107.08572	2.6
109.06482	0.7
109.10137	2.2
111.04452	0.7
111.08072	0.8
111.11690	4.9
111.66129	0.4
112.39575	0.4
113.06023	0.5
115.03909	14.8
115.07565	3.0
117.07003	1.0
119.08562	2.2
121.10126	6.6
123.04409	0.5
125.09558	0.5
126.09131	0.6
127.03902	2.7
127.11185	0.7
133.04950	11.7
133.10161	1.6
135.07990	0.8
135.11649	0.7
136.07585	2.8
137.06006	0.7
137.07901	0.6
137.09613	1.0
139.03885	1.0
139.11156	37.2
143.08672	0.6
145.04996	0.7
145.10069	0.6
149.09630	0.9
149.13220	0.6
150.07608	1.0
155.10725	0.5
157.12227	11.6
157.33897	0.4
159.11618	0.4
163.03931	0.6
163.11153	0.5
164.07014	2.5
165.07381	0.7
167.07158	0.8
169.06454	0.6
173.05667	0.4
174.93138	0.5
193.10454	0.5
193.50183	0.4
200.04567	0.6
235.17046	0.4
237.02531	0.5
238.51682	0.4
253.14229	0.6
253.17941	0.5
271.15314	3.2
288.14182	0.6
289.16342	0.5
301.16574	1.9
319.17560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86024	0.4
51.89159	0.4
53.03942	0.6
53.08474	0.4
54.35720	0.4
55.01865	3.7
55.05500	10.0
55.40009	0.5
55.93518	0.7
57.03425	4.0
59.04972	0.5
60.04486	0.5
61.02944	0.4
65.03899	0.4
67.05492	4.6
69.03408	8.9
69.07051	18.8
69.98853	0.4
71.04951	1.0
78.52442	0.4
79.05473	6.6
81.03411	1.9
81.07034	2.3
83.04970	1.2
83.08601	29.5
85.02880	9.5
87.04444	3.1
87.08096	0.6
89.03876	0.9
91.05461	6.9
93.07021	33.0
95.04932	4.5
95.08569	4.1
97.02883	7.9
97.06509	95.8
107.04935	0.9
109.06516	2.6
111.08061	92.3
113.05978	2.2
115.03898	3.1
117.03365	2.0
121.06483	4.8
121.10098	0.8
126.03801	0.6
127.03886	0.6
127.07534	0.9
129.09102	3.2
133.04921	0.8
135.04321	3.5
137.05991	0.5
139.07516	89.8
145.02794	2.4
149.02286	0.6
157.08569	100.0
163.03874	12.9
188.03795	0.6
205.96722	0.5
223.97633	0.7
235.97635	2.0
251.96950	0.8
252.97820	3.0
275.96994	2.2
291.92715	0.5
319.13647	2.2
363.85196	0.5
399.39557	0.6
408.00882	0.7
468.14563	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	468.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01980	0.4
53.03932	0.9
53.98150	0.4
55.01861	3.9
55.05503	9.8
55.93506	0.6
57.03417	3.7
62.04115	0.5
67.05502	4.3
69.03416	7.6
69.07047	16.6
76.06548	0.5
79.05457	6.5
81.03402	1.1
81.07027	2.6
83.08105	1.3
83.08596	24.7
85.02891	9.4
87.04439	4.0
87.08089	0.8
89.03896	0.8
91.05464	7.5
93.07019	33.6
95.04931	4.1
95.08578	5.1
97.02876	8.0
97.06506	94.7
109.06487	2.9
111.08062	95.0
113.06009	1.2
115.03932	2.0
117.03342	2.8
121.06470	5.5
121.10109	0.8
127.07509	0.9
127.23210	0.6
129.09065	2.3
133.04959	0.9
135.04416	5.2
137.05962	1.0
139.07512	91.2
145.02818	3.1
151.97684	0.6
157.08568	100.0
163.03870	14.0
188.03781	0.7
223.97636	0.9
234.96811	1.2
235.97661	2.2
246.14595	0.6
251.97113	2.4
252.97896	2.3
254.80753	0.5
271.15234	0.8
275.97092	3.1
319.13763	2.2
332.01733	0.7
335.09293	1.1
408.01074	0.9
459.15982	0.6
468.14355	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	468.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01980	0.4
53.03932	0.9
53.98150	0.4
55.01861	3.9
55.05503	9.8
55.93506	0.6
57.03417	3.7
62.04115	0.5
67.05502	4.3
69.03416	7.6
69.07047	16.6
76.06548	0.5
79.05457	6.5
81.03402	1.1
81.07027	2.6
83.08105	1.3
83.08596	24.7
85.02891	9.4
87.04439	4.0
87.08089	0.8
89.03896	0.8
91.05464	7.5
93.07019	33.6
95.04931	4.1
95.08578	5.1
97.02876	8.0
97.06506	94.7
109.06487	2.9
111.08062	95.0
113.06009	1.2
115.03932	2.0
117.03342	2.8
121.06470	5.5
121.10109	0.8
127.07509	0.9
127.23210	0.6
129.09065	2.3
133.04959	0.9
135.04416	5.2
137.05962	1.0
139.07512	91.2
145.02818	3.1
151.97684	0.6
157.08568	100.0
163.03870	14.0
188.03781	0.7
223.97636	0.9
234.96811	1.2
235.97661	2.2
246.14595	0.6
251.97113	2.4
252.97896	2.3
254.80753	0.5
271.15234	0.8
275.97092	3.1
319.13763	2.2
332.01733	0.7
335.09293	1.1
408.01074	0.9
459.15982	0.6
468.14355	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	468.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12225	0.5
56.96278	1.1
56.96557	29.7
61.12920	0.6
66.98614	0.5
71.95243	0.5
81.07042	1.4
87.04447	0.7
91.05453	0.6
91.50227	0.6
93.07058	1.0
95.08600	3.0
97.06514	0.7
98.97564	25.6
98.98193	1.0
104.10698	0.7
105.07043	2.0
107.08562	1.4
109.10106	1.3
116.98595	28.3
119.08590	2.5
121.10104	1.0
131.08543	1.0
133.10104	1.4
134.98621	0.7
134.99641	19.3
141.37189	0.7
145.10130	0.7
153.00684	4.2
176.82860	0.6
233.04800	1.0
245.08401	0.9
247.02890	1.4
247.06493	0.6
251.05907	1.4
255.21187	0.6
273.07867	0.8
281.08389	1.0
291.09003	1.4
321.11386	0.8
325.11060	0.9
339.12524	3.3
341.10507	2.0
341.14240	3.4
343.12088	5.7
355.12143	0.9
357.13763	1.2
359.11493	5.2
359.15378	3.4
361.13049	7.5
361.17090	1.0
367.15961	1.3
381.13467	1.1
383.15375	3.0
385.16760	11.0
387.14703	1.4
401.16223	11.6
403.17841	26.2
415.13751	0.7
421.18939	5.2
427.17786	26.5
445.18893	100.0
446.19257	0.8
463.19843	3.2
468.20352	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	468.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01861	5.5
55.05506	8.4
57.03424	8.0
59.05011	1.1
65.03921	2.1
67.05495	15.4
69.03423	10.4
69.07056	15.6
71.01339	5.5
71.04961	2.1
79.05474	10.9
81.03407	1.6
81.07028	13.9
83.04986	8.9
83.08585	2.6
85.02888	9.9
85.06526	1.2
87.04446	2.5
91.05465	2.8
93.03384	1.3
93.07028	4.9
94.80161	1.2
95.04940	14.5
95.08578	11.2
96.08113	6.7
96.08955	1.4
97.02882	5.8
97.06509	50.9
103.94879	1.1
105.07009	5.2
107.04949	1.4
107.08596	2.9
109.02862	1.2
109.10133	9.0
111.04417	6.5
115.03909	2.5
115.05443	2.7
117.03345	2.1
117.06936	1.3
119.08570	2.5
120.08060	2.4
121.02867	1.3
121.06581	1.3
121.10106	2.8
123.04397	5.5
125.04087	1.2
128.06215	6.9
129.06981	10.5
131.04878	2.0
131.08527	5.1
133.04961	2.1
133.10098	1.9
135.04416	6.2
135.11673	1.5
137.09590	11.0
139.03874	2.2
139.11180	6.3
139.46925	1.3
141.06963	9.1
142.07773	5.0
143.04875	2.3
143.08556	6.3
145.02853	1.6
145.06471	1.3
147.04434	5.2
147.08147	1.5
149.05930	1.7
152.07082	49.4
152.08282	2.1
157.06451	11.2
157.10114	8.9
157.12280	2.4
160.05144	9.8
161.05943	55.9
161.09532	1.2
163.03876	69.7
164.07097	1.4
165.06976	2.2
165.09111	4.9
167.08527	28.6
169.06421	8.3
169.10196	2.0
171.06599	2.2
171.08031	7.8
173.05965	23.8
174.06711	14.0
175.03909	7.6
175.07504	22.9
176.04669	2.3
177.05470	4.9
179.03442	1.8
181.04948	44.3
181.06445	6.5
184.05177	18.5
185.05969	17.7
185.09563	13.1
187.07474	14.0
189.01781	2.1
189.05475	8.8
189.09061	34.6
195.08018	37.8
197.05946	10.3
198.06734	9.4
199.07555	8.2
201.09094	6.2
203.03310	1.5
203.06978	15.5
203.10548	1.6
212.04552	2.4
213.05499	6.0
213.09084	65.0
215.06995	33.4
215.10457	10.1
217.08549	19.4
223.07533	6.8
226.06177	5.8
231.10091	25.4
241.08545	44.0
244.37930	1.4
256.09515	1.4
257.04767	1.3
258.07584	1.9
259.09604	100.0
269.21075	2.6
270.21259	1.6
273.09921	1.7
277.10730	9.0
306.13293	64.4
309.13232	4.4
370.12393	1.3
430.07016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01857	3.2
55.05487	3.7
57.03408	2.7
58.47116	0.4
58.67309	0.5
58.77806	0.5
60.46537	0.5
65.03920	0.9
66.17050	0.5
67.05490	13.3
69.02090	0.5
69.03427	4.7
69.07047	11.4
71.01334	7.0
71.04971	0.9
74.47216	0.5
75.24868	0.5
78.12211	0.5
79.05474	7.7
81.03393	0.7
81.07030	2.9
83.04962	8.6
85.02875	3.3
87.04416	0.8
89.03893	1.0
91.05442	3.3
92.09200	3.0
93.03385	1.0
93.07032	2.3
95.04942	25.5
95.08585	2.5
97.02868	1.1
97.06506	37.6
99.04430	0.8
103.05438	0.8
105.03360	0.7
105.06993	2.2
109.02877	4.3
109.06476	1.2
109.10135	2.3
111.04414	4.9
115.03893	1.0
115.05447	4.8
117.03339	2.4
117.06998	2.4
119.04932	0.7
119.08540	0.9
121.06435	0.6
121.10078	2.3
123.04414	4.5
128.06219	1.0
129.06969	3.7
131.04935	1.2
131.08543	3.9
133.06467	3.5
133.10114	1.3
135.04419	7.3
137.05960	0.9
137.09540	3.5
138.04866	0.6
139.03850	2.1
139.11165	2.5
141.06969	9.9
143.04871	1.0
143.08498	4.8
145.02809	2.5
145.06532	0.8
147.04379	3.8
149.05951	3.1
152.06189	2.4
153.06976	0.7
157.05028	0.9
157.06451	2.6
157.10072	2.8
157.12195	3.5
159.08018	2.2
160.05156	21.9
161.02286	2.5
161.05937	72.0
162.03110	0.8
163.03865	70.9
165.05446	3.1
165.06966	0.6
167.08514	7.8
169.06465	7.5
170.07196	0.9
171.08008	4.0
173.05933	13.8
174.06737	2.4
175.03819	6.7
175.07510	5.5
176.04626	0.8
177.05377	2.6
181.06442	1.0
184.05136	3.7
185.05934	5.0
185.09598	5.9
187.07481	6.0
189.01775	2.7
189.05458	2.6
189.09062	69.1
191.14349	0.9
195.08014	11.1
197.05911	1.3
198.06682	1.0
199.07529	1.2
201.09084	1.3
203.07063	1.3
203.10641	2.3
205.08536	0.7
207.02821	3.3
207.46777	0.7
209.04451	3.0
213.05339	0.7
213.09074	18.7
214.09961	0.6
215.06984	59.0
215.10457	2.0
217.08559	15.7
223.07474	0.6
226.06352	0.9
231.10109	6.6
233.08063	2.9
241.08559	5.7
249.11139	2.4
259.09592	100.0
260.09824	0.7
277.10645	12.2
287.13782	0.6
294.36444	0.6
413.04828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
54.81774	0.3
54.93218	0.2
55.01858	0.6
55.05501	3.8
57.03425	1.6
57.07069	0.2
59.04988	2.7
59.73379	0.2
61.02910	0.9
67.05486	1.1
69.03065	0.3
69.03411	6.3
69.07057	0.4
71.04958	1.4
71.18082	0.2
73.02903	1.2
77.46560	0.2
79.05461	1.1
81.03405	6.0
81.07024	1.3
83.04971	4.8
83.08604	0.4
84.61429	0.2
85.02367	0.3
85.02888	8.5
87.04446	1.3
88.12419	0.2
91.05457	1.6
93.07031	2.2
95.04945	1.5
95.08594	2.1
97.02865	8.5
97.06500	1.6
99.04427	1.2
101.06004	0.3
105.07018	0.9
107.04916	0.4
107.08554	0.5
109.02863	3.1
109.06525	0.3
109.10114	0.4
111.04389	0.2
111.08066	2.5
111.46616	0.2
112.91253	0.2
113.05994	0.4
115.03936	1.1
119.08533	0.4
121.06481	0.6
121.10114	1.0
127.03878	3.9
131.04849	0.3
131.08537	0.5
132.04422	5.9
133.04935	0.3
135.08054	0.3
136.07536	0.3
137.05923	1.0
137.09592	0.4
138.06358	0.3
139.07526	4.4
139.11110	2.1
143.08554	0.3
145.04926	2.2
145.10124	0.3
147.04434	0.3
149.05969	0.5
149.09631	0.3
151.03975	0.3
153.73073	0.2
155.07082	0.3
156.05688	0.2
157.08612	2.4
157.09816	0.3
157.12180	1.0
159.11630	0.4
160.03871	0.3
163.82100	0.2
167.07043	1.9
169.09898	0.3
171.11693	0.3
174.05479	0.2
178.04956	87.0
179.05278	0.2
187.05994	2.1
206.04449	100.0
207.04852	0.4
217.08659	0.3
227.09074	0.9
235.13322	0.4
245.10164	0.4
251.17975	0.4
253.14229	0.5
269.18961	0.5
271.15335	0.5
287.13870	0.4
287.20126	0.4
288.20294	0.4
372.01642	0.2
450.13635	0.4
465.10587	0.3
468.14908	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25821	0.7
55.05496	1.5
55.08553	0.7
55.93270	1.3
55.93522	20.3
56.05027	0.7
57.03422	1.2
59.05006	1.2
66.04694	0.8
67.05491	4.3
69.03402	6.6
69.07054	4.1
70.79416	0.8
70.95870	1.0
71.04980	1.5
71.92998	3.7
72.93760	13.1
73.94563	1.0
79.05470	4.7
81.03382	1.4
81.07034	1.0
83.04969	1.9
83.08611	2.0
83.69427	0.8
84.08150	1.4
85.02885	13.1
87.04462	1.9
89.03436	0.8
89.03882	7.4
89.94013	1.3
90.12915	0.9
90.94811	9.5
91.05456	2.2
93.07034	21.3
93.65327	0.9
95.04935	5.5
95.08607	4.8
97.02879	7.7
97.06489	4.9
99.04453	3.6
105.93479	0.9
107.04940	1.7
108.95853	1.1
109.06465	1.4
110.09667	0.9
111.04403	0.8
111.08074	12.7
115.03922	1.4
117.03343	12.8
121.02882	1.5
121.06485	11.5
126.09139	4.2
127.03931	1.7
127.07492	1.4
127.09457	1.3
128.96318	2.2
132.95819	8.1
134.03609	3.9
135.04399	29.7
137.05949	3.7
138.06354	1.1
139.06512	1.7
139.07530	35.7
144.95805	1.0
145.02832	20.4
146.97397	3.6
147.98151	1.2
149.96123	5.0
150.96841	11.4
151.97673	1.8
152.99937	1.9
154.08627	10.7
154.97867	1.9
155.08917	3.7
157.08577	50.3
157.09872	2.0
157.96533	1.0
163.03871	100.0
164.04179	1.2
167.06987	1.6
167.97195	1.7
170.00195	1.0
171.98222	1.0
172.09697	3.8
172.98935	4.7
173.09976	1.3
175.97696	9.9
181.96568	1.2
183.98070	2.0
188.98526	1.3
193.96979	0.9
193.98727	8.0
196.98958	5.6
198.96782	1.0
199.97636	3.6
205.96585	14.4
207.98169	3.5
208.98810	1.0
211.97647	1.8
212.98483	1.2
213.99330	1.1
214.99960	11.7
216.00781	1.9
217.96628	1.2
223.97627	22.3
225.99318	1.2
227.97160	1.8
234.96793	8.1
235.97659	12.2
237.95442	1.1
241.98686	5.0
247.94038	4.1
249.95552	1.7
251.97040	23.6
252.97884	17.2
259.99756	6.1
265.95016	5.7
267.96838	1.0
269.98163	18.2
275.97086	8.6
277.98676	3.8
283.96149	1.3
287.99301	11.5
292.00165	1.4
301.98718	1.2
309.00421	1.3
311.99225	2.0
314.00705	1.7
319.13849	5.7
328.00116	3.5
335.01932	1.0
336.03186	1.3
343.99786	5.6
362.00684	4.6
371.99408	1.3
390.00278	4.9
408.01273	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	1.9
63.46036	1.2
68.72221	1.3
89.06062	1.3
92.08705	2.9
92.63374	1.4
93.07055	1.9
94.23530	1.4
95.08620	2.0
103.42138	1.9
105.06989	1.6
109.03593	1.5
109.10191	1.9
109.88531	1.8
127.93692	1.7
133.08652	2.5
180.38754	1.4
240.65851	1.4
277.92862	1.6
330.11914	1.6
467.35004	100.0
468.35242	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	467.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	1.9
69.34817	1.5
69.58555	1.6
81.07072	1.8
82.74376	1.6
90.63942	2.2
90.78934	1.7
112.33673	1.8
198.28572	1.9
244.96510	1.9
466.33615	3.1
467.34900	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	467.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47609	1.4
65.40166	1.3
65.88048	1.8
69.07057	1.9
73.25014	1.5
81.07059	1.9
88.23982	1.6
106.31716	1.7
109.10086	1.8
185.16046	1.6
213.40611	1.6
224.92065	2.0
447.22281	1.7
467.28513	3.4
467.34937	100.0
468.35013	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	467.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07040	0.9
73.25837	0.6
81.07047	1.0
89.05993	0.6
92.64642	0.7
93.07037	1.0
107.08572	0.8
116.59937	0.7
130.11128	0.8
145.02876	1.6
165.39082	0.8
177.05447	3.3
181.79282	0.7
189.10995	0.7
240.64079	0.7
275.44998	0.8
312.27594	0.7
348.26337	0.8
467.34940	100.0
468.35144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.315
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05492	7.6
57.07053	1.3
57.43210	1.5
67.05485	16.6
69.03394	3.5
69.07050	15.1
72.88821	1.5
79.05484	11.1
80.94399	1.4
81.07043	22.2
83.04947	3.8
83.08588	6.6
91.05453	14.9
93.07019	24.4
95.04964	1.9
95.08579	33.1
105.07011	24.3
107.04916	2.4
107.08572	25.5
109.06476	3.4
109.10122	26.0
111.08086	2.2
117.06990	8.3
119.08559	30.8
121.06478	3.9
121.10121	24.8
123.07965	3.0
123.11674	3.1
125.09546	2.0
128.06219	1.9
129.06975	3.3
131.08516	20.5
133.10109	19.8
135.08052	8.3
135.11638	14.7
137.09590	10.7
142.07687	3.7
143.08536	15.9
145.10092	23.4
146.18900	1.6
147.07973	1.9
147.11671	13.4
149.02327	1.8
149.09599	6.9
149.13235	7.1
151.11017	1.8
155.08519	6.5
155.10622	2.1
156.09357	3.1
157.10097	31.0
159.11671	23.9
161.09604	2.9
161.13251	7.7
163.03859	7.9
163.11148	9.4
163.14833	2.9
164.04295	2.2
167.10638	2.0
168.09320	1.9
169.10069	12.2
171.11647	22.2
173.09750	1.9
173.13229	23.5
175.11163	2.5
175.14696	2.1
177.12759	6.5
181.10014	2.5
181.12192	3.3
183.11639	14.3
185.13229	10.3
187.14803	16.6
189.12859	2.5
191.14288	2.0
193.04884	2.0
193.10124	2.5
195.11636	3.4
197.13228	14.1
199.14799	2.9
201.16402	7.6
207.11705	2.4
209.13229	6.1
211.14784	8.1
213.16302	6.4
215.14346	2.2
215.17914	10.1
221.13152	2.9
223.14812	3.8
225.12592	1.9
225.16281	8.0
227.17958	21.2
229.19502	10.1
233.15387	2.7
237.16380	2.5
239.14131	2.2
239.17828	3.6
241.19444	10.0
251.17871	9.4
253.19446	12.3
255.21042	2.8
265.19543	2.1
267.21008	3.6
273.18430	2.6
279.65146	1.8
293.22479	2.4
299.20041	2.3
307.20291	2.2
325.21503	7.7
347.23621	1.8
385.28845	6.2
403.29752	18.4
421.30884	100.0
421.36517	3.4
423.32272	3.0
431.29602	2.2
449.30267	8.1
467.31323	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01860	4.3
55.05504	14.8
57.03424	18.0
59.04998	1.8
60.04517	2.9
61.02906	9.9
64.33292	1.9
64.92464	1.9
65.03932	1.8
67.05493	26.5
68.05007	2.0
69.03416	40.6
69.07057	15.3
71.04968	8.9
73.02906	3.5
79.05036	3.2
79.05476	41.0
81.03402	18.0
81.07043	57.8
81.84455	1.9
84.08102	3.2
85.02891	100.0
85.06545	4.0
86.06032	8.3
86.09686	2.8
87.04440	10.9
91.05463	48.1
93.07024	45.2
95.04961	11.5
95.08582	48.8
97.02879	28.4
97.06487	17.1
99.04419	3.7
99.08038	1.9
105.03353	2.4
105.07016	73.2
107.04943	9.2
107.08578	31.6
109.02878	11.2
109.06501	10.8
109.10122	14.5
111.08099	5.1
115.03909	2.3
115.05443	5.0
115.07594	2.4
117.06985	37.3
118.06519	20.6
119.07284	4.8
119.08553	40.4
120.08098	5.2
121.06499	3.4
121.10116	14.1
122.00977	2.1
122.05990	8.4
123.04389	2.0
123.08044	8.9
125.06007	8.0
125.09592	3.4
127.03897	12.8
127.07536	3.5
128.06198	3.8
128.91614	2.0
129.06982	22.5
130.07797	2.7
131.08543	59.7
131.83815	2.1
133.10110	29.2
135.08028	4.8
135.11676	7.9
136.07564	2.8
137.05968	18.4
137.09631	8.6
138.06343	4.0
140.07059	8.3
141.06964	12.7
141.09100	4.0
142.07758	11.9
143.08559	42.1
143.10670	3.0
144.09320	10.3
145.04913	3.5
145.10109	68.5
146.06026	15.2
147.04373	2.7
147.06781	7.5
147.11658	22.5
148.07565	19.5
149.09586	3.7
151.03883	62.7
151.05026	3.3
152.04224	36.3
152.06985	3.1
153.05466	4.2
153.06946	2.4
154.05890	2.1
155.08565	21.2
155.10617	2.4
156.09352	4.3
157.10104	53.9
159.08035	3.6
159.11653	83.9
161.09590	7.7
161.13222	12.3
164.07086	22.8
165.06992	4.0
167.08562	8.6
168.09354	3.7
169.04893	2.9
169.10095	25.2
171.11629	24.3
173.09557	2.7
173.13216	22.1
175.11140	7.6
175.14896	2.0
177.09201	2.2
179.08504	2.2
180.09343	4.1
181.04810	4.0
181.10078	16.5
183.11690	17.3
185.13268	17.2
187.14763	2.7
194.10817	2.5
194.72214	2.2
195.11685	37.2
196.07278	2.6
197.13220	15.9
199.11122	3.0
199.14789	9.4
201.16301	7.7
209.13200	24.2
211.09700	8.5
211.14844	11.5
212.09981	3.3
213.12738	4.1
213.16304	3.3
222.13998	3.4
223.14816	10.0
225.16345	13.9
227.14326	3.1
227.17915	11.8
236.15633	8.7
241.19431	8.9
242.11710	9.2
243.14821	8.8
251.17911	46.7
269.12750	7.7
269.18954	50.8
270.11121	12.4
287.13885	30.9
287.19992	85.9
305.14899	13.3
305.20929	3.2
441.82614	2.2
467.26303	33.0
479.81207	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01869	1.8
55.05494	1.5
57.03426	3.7
59.04962	0.9
61.02915	1.5
62.53115	0.8
65.03917	1.4
65.62572	0.7
67.05491	6.2
67.20511	0.7
68.05009	1.3
69.03416	12.8
69.07052	9.7
71.04965	4.6
78.04713	1.0
79.05469	7.5
80.04998	1.9
81.03387	6.8
81.07036	12.3
81.97739	0.9
83.04956	1.1
84.08109	1.7
84.48373	0.8
85.02889	21.8
85.06533	1.1
86.06075	6.2
87.04450	2.0
91.05451	21.4
92.09101	1.2
93.05765	1.8
93.07014	9.1
94.06538	10.8
95.04934	4.6
95.08588	8.1
97.02861	14.2
97.06499	6.9
99.04422	1.5
100.89681	0.9
104.04956	3.2
105.03374	0.9
105.07015	8.2
107.08553	6.3
108.04442	1.2
108.08127	1.2
109.02847	4.0
109.06469	1.8
109.10105	1.7
110.06007	1.3
116.04955	11.8
117.05724	2.0
117.06980	5.8
118.06516	68.5
119.07302	13.2
119.08555	8.9
120.08083	28.0
120.08872	1.7
121.06497	1.3
121.10119	5.0
122.06004	21.5
123.04413	0.9
124.07552	10.3
127.03902	2.1
128.06186	1.8
129.06960	3.9
131.08546	13.0
132.08102	1.2
133.06384	1.2
133.10080	3.9
134.05984	5.0
135.08041	1.3
136.07457	1.2
137.05975	6.9
137.09596	1.2
137.36201	0.8
140.07043	17.0
141.06923	1.6
141.09180	1.1
142.08621	8.7
143.08533	3.9
144.08203	1.4
144.09387	1.3
145.04936	1.4
145.10101	10.3
146.05983	72.7
147.06758	28.7
147.07660	1.0
147.11685	3.3
148.07545	61.3
149.09564	1.2
151.03854	1.5
153.05475	1.8
154.08621	11.6
155.08531	5.2
157.10095	8.1
159.11642	15.7
160.07498	0.9
161.13148	1.3
162.09203	1.2
164.07028	89.0
166.08592	1.5
169.10085	2.1
170.09708	1.0
171.10388	1.2
171.11659	4.4
172.11171	1.1
173.09566	1.4
173.13239	4.7
174.09145	1.5
181.10110	1.7
183.11717	1.1
185.13258	1.6
186.09140	3.2
187.11255	1.5
188.10614	3.7
189.11464	5.5
191.14238	2.1
195.11734	4.1
196.11162	1.9
197.13260	1.9
199.09831	3.6
199.12732	1.1
200.10652	1.0
209.13228	4.9
211.09686	3.8
212.09937	1.2
213.13892	1.5
214.12256	10.9
216.13786	3.4
218.07980	0.9
223.14879	1.7
224.10632	3.6
225.16283	2.0
226.12303	5.4
231.14626	0.9
241.13348	7.4
242.08020	1.7
242.09061	1.2
242.11699	39.4
243.14880	42.5
243.17360	2.0
251.17915	6.8
252.10172	0.9
259.14288	6.5
261.15897	4.4
269.12808	28.9
269.18814	9.3
270.11172	48.8
287.13828	100.0
287.19925	13.4
290.10156	3.3
305.14877	52.9
308.11331	6.1
379.37320	1.0
392.24060	0.9
431.17822	1.6
449.19049	16.9
467.26294	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	466.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64769	2.4
54.25864	2.8
55.05487	2.7
57.07068	52.3
61.43127	2.9
63.09859	2.4
71.08620	33.1
83.08612	4.8
85.10166	13.5
89.06010	100.0
92.09320	6.0
97.13506	2.8
130.20795	2.6
133.08586	22.5
154.31229	3.8
154.62444	2.7
177.11285	4.8
227.18425	3.0
239.14853	18.4
299.29169	3.7
449.38379	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.116
Annotation	BENFOTIAMINE
Peak:m/z	Relative Intensity
55.93195	0.8
57.03423	4.4
61.02912	4.2
69.03419	7.1
71.04990	0.8
73.02896	5.0
81.03392	1.8
85.02895	11.5
97.02877	5.1
98.97545	7.0
99.04450	1.0
109.02839	1.2
110.01228	1.1
110.97548	1.4
116.98615	1.7
119.01759	2.0
127.03871	5.7
128.02330	1.2
128.98587	1.5
129.01997	0.9
131.01820	1.0
137.05981	1.4
145.04935	1.9
158.99661	7.3
170.99673	1.8
177.00659	5.3
189.00737	3.6
191.03891	5.9
191.54027	1.1
200.04515	2.0
201.00676	4.0
219.01714	6.3
231.01895	1.2
237.02948	1.3
249.02780	1.6
251.32770	1.0
259.04346	1.0
259.07800	1.6
261.02856	4.0
279.03906	5.1
281.07089	8.6
281.57291	4.0
360.69861	1.2
362.59650	1.3
387.05484	1.0
467.11475	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	467.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34363	0.8
53.03930	4.2
55.01863	1.4
55.05494	2.0
57.03415	1.8
57.59497	0.8
59.04990	1.0
61.02904	2.0
65.03928	2.0
67.05482	6.7
68.05006	1.3
69.03411	15.2
69.07045	11.5
69.21680	0.8
71.04969	2.2
73.02892	1.2
79.05466	10.9
80.05013	1.0
81.03391	7.4
81.07036	15.1
82.06538	0.9
83.04972	1.3
85.02886	25.9
85.06525	1.4
86.06045	6.6
87.04460	1.3
91.05454	25.9
93.05735	1.0
93.07018	13.2
94.06547	10.2
95.04953	6.6
95.08559	7.9
97.02867	12.2
97.06496	7.4
99.04423	2.2
101.07883	0.8
103.05422	1.4
104.04955	1.5
105.07001	14.5
107.08553	8.4
108.04482	1.4
108.08092	2.2
109.02847	2.1
109.06454	3.1
109.10152	3.8
110.06025	3.6
112.07574	1.7
115.05405	1.2
116.04962	11.0
117.05731	4.5
117.06980	9.1
118.06514	67.4
119.04903	1.0
119.07295	17.0
119.08533	10.2
120.08079	25.8
120.08865	1.0
121.06432	1.1
121.10121	1.8
122.05995	21.1
123.04362	1.2
123.08031	1.8
124.07554	7.9
125.05893	1.2
125.09595	1.1
127.03888	4.7
129.06998	5.3
131.08542	11.3
132.08040	1.5
133.10095	7.2
134.05983	5.2
135.08055	1.5
135.11661	1.1
136.07559	2.1
137.05930	8.8
137.09595	2.0
138.06360	1.3
139.07407	0.9
140.07030	18.7
141.06998	2.0
141.09097	1.2
142.07671	1.2
142.08633	6.4
143.08507	10.3
143.95676	1.0
144.09308	1.5
145.04890	1.6
145.10110	12.4
146.05981	66.4
147.06772	28.6
147.07892	1.3
147.11691	3.7
148.07550	58.1
149.09622	2.2
151.03889	2.1
152.06932	1.1
154.08638	10.4
155.08516	4.1
155.10605	1.4
156.09406	1.0
157.10106	9.0
158.09567	1.3
158.81047	0.9
159.11673	18.8
160.07547	1.4
161.09573	1.5
161.13179	1.4
164.07024	88.2
165.06891	1.2
166.08644	1.5
167.08514	1.2
169.04893	1.3
169.10033	2.5
171.10350	1.3
171.11699	3.8
173.09534	1.0
173.13216	5.0
174.09145	3.8
181.08649	1.8
181.10115	2.0
183.11731	1.4
185.13217	3.9
186.09009	1.1
188.10670	3.6
189.11443	4.4
191.14264	3.4
195.11615	7.3
196.11160	1.1
197.13197	1.8
198.12830	3.8
199.09866	3.3
199.14792	1.3
209.13123	6.3
211.09671	6.0
211.14589	1.3
213.13942	1.6
214.12280	10.5
216.13806	4.2
223.14789	1.2
224.10678	2.1
225.16365	4.6
226.12402	7.6
227.17725	1.5
241.13264	5.9
241.19324	1.0
242.11702	41.3
242.14110	1.9
243.14848	38.4
251.17883	9.3
252.10179	1.7
254.10406	1.6
259.14355	8.3
261.15851	4.6
269.12784	29.3
269.18945	10.7
269.27838	0.9
270.11188	50.5
270.13797	1.8
287.13824	100.0
287.19992	17.1
290.10278	4.1
305.14865	55.9
308.11224	6.5
389.59750	1.2
431.18237	1.8
449.19116	11.9
467.15414	1.2
467.26300	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	466.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.2
57.03416	0.6
65.03892	0.6
65.38937	0.6
67.05489	38.9
67.05849	1.5
69.07058	6.9
71.04980	1.1
79.05475	10.5
81.07034	49.1
83.08602	6.7
85.06545	0.7
89.03896	3.8
91.05451	8.8
93.07014	12.0
95.08582	47.4
97.06488	2.5
97.10126	3.6
99.08080	0.9
105.07018	4.2
107.04929	3.1
107.08575	9.4
109.06435	0.6
109.10143	26.8
111.08013	1.3
117.03355	6.9
119.08551	7.1
121.10099	12.5
123.07996	2.5
123.11677	8.0
125.09608	0.7
131.08551	3.5
133.10117	12.6
135.04396	23.4
135.11668	8.6
137.09593	3.4
137.13217	2.7
139.03873	0.7
145.02829	20.3
145.03941	1.3
145.10088	3.5
147.11638	4.0
149.02280	0.9
149.09605	1.0
149.13261	3.8
151.11115	5.2
156.81912	0.6
159.11674	3.8
163.03865	100.0
163.11166	0.7
169.12173	2.4
173.13199	2.6
177.12709	0.8
181.04933	6.5
187.14832	1.0
189.16347	1.0
193.05000	1.1
195.13753	1.1
215.17880	12.5
233.18959	11.4
251.19986	37.4
256.26416	1.0
269.21060	2.4
285.45740	0.6
395.22067	0.8
413.23227	0.9
466.31381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15165	0.9
53.00311	1.1
54.76052	0.9
55.01870	1.3
55.05504	26.9
57.03430	17.2
57.07069	2.4
66.40913	0.9
67.05133	2.4
67.05491	52.6
67.38636	1.0
69.07053	35.7
71.04979	2.2
71.08617	1.4
79.05480	20.7
81.07039	57.2
83.04922	1.1
83.08598	13.4
85.06522	2.1
91.05463	12.7
93.07021	17.2
93.21227	1.1
95.08583	40.6
97.06480	2.0
97.10164	10.2
99.04406	1.2
105.07008	10.0
107.08588	11.6
109.10134	17.3
112.99998	67.5
119.04881	3.7
119.08579	10.1
121.10133	9.3
123.11676	5.9
131.08516	2.1
133.10117	10.6
135.11674	6.0
137.13286	1.4
145.10089	1.8
147.04384	11.9
147.11694	5.5
149.13332	1.4
150.50874	1.2
161.13307	2.4
169.02579	33.0
169.03889	2.0
177.80096	1.0
187.03665	2.1
245.22519	2.2
263.23654	5.0
337.27307	100.0
337.59866	1.3
413.30423	1.3
431.31522	8.1
465.33435	8.5
466.33942	17.6
467.31992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.3
53.03928	0.5
55.01856	0.1
55.05500	0.7
57.03425	3.9
57.07074	1.0
58.51156	0.1
59.04985	0.8
60.04509	0.4
61.02904	0.5
63.67105	0.1
65.03912	0.1
67.05486	2.2
69.03412	11.3
69.07055	1.7
71.08569	0.1
72.65401	0.1
73.02903	1.0
75.04455	0.7
79.05470	6.4
81.03413	0.3
81.07034	100.0
82.07370	0.2
83.04950	0.1
85.02885	9.7
87.04446	7.2
91.05459	0.1
93.07027	0.7
95.04945	0.2
95.08578	13.3
96.08918	0.1
97.02866	8.5
99.04410	0.2
100.11187	0.1
103.03919	0.1
104.43695	0.1
105.06989	0.2
107.08598	0.1
109.02873	0.2
109.10123	1.1
115.03905	8.8
119.08575	0.2
127.03883	0.9
133.04933	7.8
137.13225	13.2
145.04912	1.1
150.07605	1.5
163.05927	0.3
171.41672	0.1
177.54913	0.1
178.82350	0.1
241.07095	0.2
259.08145	0.7
265.53934	0.1
277.09186	0.2
295.10217	0.2
365.82813	0.1
422.26898	0.1
466.31223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35714	0.2
53.03923	1.3
55.01852	1.6
55.05495	1.6
57.03428	3.9
57.07052	1.9
61.02917	2.8
65.03903	0.3
67.05483	4.1
69.03415	8.9
69.07053	4.4
71.01311	0.3
71.04976	0.4
73.02898	11.5
78.26054	0.3
79.05479	6.5
80.49646	0.3
81.03407	0.6
81.07036	100.0
83.04951	0.3
83.08604	0.3
85.02887	17.8
87.04430	1.2
92.09305	1.3
93.07028	1.4
95.04933	0.5
95.08578	18.2
97.02866	12.7
99.04442	0.7
103.03892	0.4
105.06967	0.3
107.08564	0.4
109.02868	1.5
109.10148	1.4
115.03891	5.8
127.03901	4.6
128.22313	0.3
133.04942	6.3
137.13232	15.3
145.04947	6.2
157.81670	0.3
163.06004	1.9
182.15392	0.7
195.40756	0.3
196.13383	0.6
199.06094	0.3
223.06027	0.6
241.07086	1.3
259.08054	3.1
277.09100	0.6
295.10107	2.6
422.30304	0.4
423.30447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30196	0.3
55.01860	1.0
55.05507	5.8
57.03406	0.3
65.03915	0.8
67.05495	16.5
68.33939	0.4
68.91003	0.4
69.06750	0.5
69.07057	6.5
70.06575	2.5
71.04967	0.7
71.08602	0.6
73.13850	0.4
78.61835	0.3
79.05477	21.9
81.06594	0.8
81.07043	19.7
83.04971	0.8
83.08609	8.7
85.06527	1.0
88.07615	1.0
91.05460	23.2
93.07026	30.3
95.04942	2.2
95.08585	14.4
97.06519	4.2
97.10139	2.3
99.08057	2.4
102.09152	2.2
105.07008	6.6
107.08580	22.8
109.06490	1.0
109.10150	6.4
111.08073	3.9
113.09610	0.6
117.03391	0.5
117.06966	2.3
119.04924	24.4
119.08562	9.7
121.10123	37.7
123.08029	4.4
123.11665	1.0
125.09592	1.7
130.49953	0.5
131.08539	6.8
131.56300	0.4
133.10097	13.2
135.04361	0.8
135.08023	3.1
135.11667	13.6
137.09607	11.5
139.07518	0.7
139.11160	1.6
143.08546	0.7
145.02867	1.7
145.10095	2.6
147.04393	100.0
147.11681	9.1
149.02330	9.3
149.03452	0.9
149.09564	5.5
149.13231	0.9
151.11171	6.9
153.09059	4.9
157.10103	2.1
159.11668	0.5
161.13271	0.8
163.03853	8.5
165.05432	5.1
165.12775	0.9
167.10625	1.8
171.11670	2.7
173.13130	0.5
181.04930	0.6
181.12195	0.5
185.13145	0.6
187.14662	0.6
189.16325	0.9
193.04967	7.7
203.14420	0.5
203.17976	3.0
213.16347	7.0
221.18974	0.9
228.59724	0.4
231.17392	8.7
237.07542	10.1
249.18448	88.6
250.18840	0.7
251.20010	2.5
256.26291	5.4
267.19479	28.3
285.20572	10.5
466.25177	0.6
466.31445	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	466.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.7
53.03939	1.1
55.01855	2.7
55.05496	2.6
57.03172	0.6
57.03430	12.1
57.07048	0.6
59.04979	3.3
60.17138	0.4
61.02904	0.8
67.05488	10.0
69.03415	32.4
69.07048	3.6
70.03750	0.7
70.06573	0.5
71.01314	0.5
71.04968	2.2
73.02905	1.2
75.04450	1.2
79.05491	3.9
81.03389	2.5
81.07037	7.8
83.04954	0.8
83.08588	0.5
85.02888	28.6
86.03208	2.5
87.03938	1.0
87.04449	21.1
90.44330	0.5
91.05432	3.9
92.08863	3.1
92.64370	0.7
93.07017	7.9
95.04945	41.5
95.08583	19.1
97.02872	22.7
97.06500	3.2
98.03220	0.7
99.04416	2.1
99.08089	0.8
101.02364	1.3
105.07002	5.0
107.04927	2.8
107.08574	6.2
109.02881	0.7
109.06500	49.2
109.10141	26.6
110.06823	0.8
111.08070	1.2
113.09586	0.7
115.03139	1.0
115.03911	16.3
117.06995	1.0
119.04910	0.6
119.08559	5.7
121.06505	0.7
121.10129	1.1
123.07986	0.9
124.03922	0.6
125.09621	1.0
127.03898	3.0
129.06940	0.8
131.08537	1.3
133.04956	13.1
133.06483	0.7
133.10081	2.7
135.08105	1.0
135.11630	0.7
136.12025	0.5
137.09593	100.0
143.08571	1.0
145.04939	4.2
145.10092	2.5
147.04405	0.6
147.11702	0.8
153.12746	3.4
154.13040	0.9
155.10643	35.9
155.11935	1.2
157.10114	0.9
159.11713	0.6
159.69994	0.5
161.05873	0.5
163.06029	0.7
163.11189	0.9
167.07030	0.6
169.57391	0.5
171.11617	0.7
171.13724	0.6
172.14159	0.7
175.11191	0.8
177.05432	0.8
181.04926	2.8
181.08606	0.6
189.12685	0.8
195.10028	0.9
207.13817	2.2
215.14261	0.6
233.15347	2.5
237.02129	1.0
251.12643	0.7
251.16354	2.7
253.13286	0.7
287.14706	2.2
295.09995	1.8
317.15909	3.0
467.15314	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.4
53.03939	0.5
55.01860	0.6
55.05502	0.7
56.18193	0.4
57.03426	8.7
57.07068	3.3
59.04984	1.9
60.04523	0.5
65.03928	0.3
66.96635	0.4
67.05488	4.7
69.03417	24.6
69.07051	4.4
73.02909	0.5
75.04448	1.4
79.05473	6.3
81.03409	0.7
81.04021	0.3
81.07040	100.0
85.02891	18.6
87.04449	14.9
91.05463	0.5
93.07025	1.6
95.04926	0.5
95.08584	23.3
97.02875	18.2
99.04433	0.4
105.07033	0.8
109.05257	0.3
109.10139	1.8
113.05185	0.4
115.03917	18.9
115.04719	0.8
127.03877	1.8
131.06210	0.4
131.65584	0.5
133.04941	18.3
133.05917	0.7
135.11761	0.5
137.13231	13.8
145.04950	1.5
150.07629	2.4
159.11765	0.4
165.26405	0.4
259.08109	2.0
277.09177	0.4
295.10349	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	466.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.3
55.93516	0.3
57.03434	1.4
59.04972	0.2
60.04503	0.3
65.03913	0.2
67.05473	0.3
67.77319	0.2
69.03419	4.6
70.19770	0.1
71.04948	0.2
75.04455	0.2
79.05466	0.4
81.03391	0.8
81.07053	1.6
83.01342	0.1
83.04965	0.3
83.08628	0.2
85.02898	4.4
85.06546	0.2
87.04440	2.1
91.05464	1.0
93.06999	0.2
94.04163	1.6
95.04932	0.4
97.02870	2.6
97.03919	0.2
98.97546	0.4
105.07005	0.3
107.04948	0.4
108.06361	0.1
109.02914	0.2
109.06493	1.2
111.04424	0.2
113.05953	0.2
113.07096	0.2
115.03905	1.8
115.05032	0.2
116.98583	0.3
119.04996	0.2
121.02039	0.3
121.02847	5.1
121.03656	0.3
122.03629	5.5
125.03475	0.4
125.05965	0.2
125.07050	0.3
126.09142	2.6
127.03934	0.3
127.07515	0.7
130.06523	1.4
133.04982	1.5
134.05920	0.3
137.05960	100.0
138.06294	0.3
139.03874	0.8
146.05978	0.7
147.11644	0.3
150.07603	0.9
151.03929	1.5
151.07487	0.2
152.04245	0.9
153.05495	0.5
153.06537	0.3
153.55481	0.2
154.08609	4.6
155.05875	0.3
155.07011	2.3
157.07611	0.4
158.05978	0.2
162.11427	0.2
163.03891	0.9
172.07510	0.3
172.09682	3.4
200.27390	0.2
204.33411	0.2
208.81566	0.2
223.97633	0.3
237.02802	0.3
242.09232	1.3
249.97365	0.2
260.10339	0.3
265.06836	0.2
268.10950	0.3
283.08023	0.6
286.11877	0.8
293.09134	0.8
304.12918	2.0
334.15143	0.2
358.76196	0.2
407.12106	1.0
494.65582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77322	0.1
55.74438	0.1
57.03423	4.0
59.04980	0.4
60.04494	0.3
61.02901	0.2
69.03416	11.0
73.02887	0.3
75.04459	0.2
79.05479	0.2
85.02890	7.5
87.04450	6.6
91.05467	0.3
94.04159	1.2
97.02867	6.7
105.60558	0.2
111.04465	0.3
111.58200	0.2
115.03905	5.8
122.03614	5.0
127.03899	0.2
133.04912	4.6
137.05952	100.0
138.06332	0.3
145.04942	0.4
150.07623	1.2
151.62485	0.2
182.39227	0.2
190.60107	0.2
213.39980	0.2
242.93597	0.2
259.07880	0.2
284.17987	0.2
285.75763	0.2
306.62961	0.2
361.86475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
53.93977	0.4
55.01857	0.5
55.05508	3.6
55.93517	0.8
56.05014	0.8
57.03418	2.0
61.02908	0.8
69.03416	7.7
71.04975	0.9
75.23187	0.4
79.05472	1.8
81.03396	1.8
81.07043	8.6
83.04935	0.3
83.08610	4.0
84.08137	0.6
85.02891	10.0
85.06528	2.1
87.04459	2.5
88.80254	0.4
89.03892	0.5
93.07037	0.8
94.04174	0.7
95.04933	0.8
97.02870	5.7
98.06049	0.7
98.09666	1.8
99.08076	0.8
101.59846	0.4
108.08109	3.4
109.02874	1.8
109.06509	11.8
110.05999	0.4
115.03917	2.0
115.79339	0.4
117.03424	0.5
121.02851	10.3
121.82994	0.4
122.03632	2.4
124.07570	0.6
126.09135	40.6
127.03870	1.8
127.07536	11.2
129.63724	0.4
130.06522	0.9
130.32523	0.4
133.04987	0.9
135.04340	0.7
136.07533	0.9
137.05959	54.9
139.03862	1.7
139.06290	0.5
140.10736	0.5
145.02773	0.5
145.04915	0.5
146.97365	0.4
150.96854	0.7
154.08612	100.0
155.07018	18.2
157.07564	0.5
163.03873	6.0
172.09660	48.3
205.96629	0.5
223.97691	1.8
228.32477	0.4
232.34044	0.4
242.09193	1.8
252.78197	0.4
283.08051	0.9
286.12543	2.4
304.12802	2.5
316.13876	4.4
334.14844	8.0
355.76239	0.5
406.01273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81940	0.8
51.55591	0.8
55.01815	0.7
56.96557	25.0
57.70800	0.9
67.05491	1.2
69.07066	1.1
92.08961	7.5
93.07023	1.4
98.97559	24.2
105.06980	1.4
107.08582	1.5
116.98595	29.9
119.08557	1.3
133.10089	1.4
134.66035	1.2
134.99632	24.2
143.08501	1.1
148.99849	1.2
153.00671	3.8
165.02246	1.1
176.06175	1.0
179.03734	10.7
183.03189	1.3
197.04802	25.3
208.61325	1.0
215.05882	4.6
234.87276	1.0
251.05873	1.4
273.07874	1.8
281.42078	1.1
289.07416	7.5
291.08972	20.9
307.08533	7.5
309.10037	36.7
323.08087	4.2
339.12546	2.3
341.14294	1.5
343.11703	2.5
353.14243	1.3
357.13632	6.0
359.11652	2.2
361.13129	4.4
365.14200	2.0
375.14572	8.2
383.15152	10.2
399.14719	2.4
401.16254	42.1
419.17136	11.4
425.16153	25.0
443.17322	100.0
461.18213	9.8
466.18799	5.3
466.29755	1.2
466.36264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.3
55.93516	0.3
57.03434	1.4
59.04972	0.2
60.04503	0.3
65.03913	0.2
67.05473	0.3
67.77319	0.2
69.03419	4.6
70.19770	0.1
71.04948	0.2
75.04455	0.2
79.05466	0.4
81.03391	0.8
81.07053	1.6
83.01342	0.1
83.04965	0.3
83.08628	0.2
85.02898	4.4
85.06546	0.2
87.04440	2.1
91.05464	1.0
93.06999	0.2
94.04163	1.6
95.04932	0.4
97.02870	2.6
97.03919	0.2
98.97546	0.4
105.07005	0.3
107.04948	0.4
108.06361	0.1
109.02914	0.2
109.06493	1.2
111.04424	0.2
113.05953	0.2
113.07096	0.2
115.03905	1.8
115.05032	0.2
116.98583	0.3
119.04996	0.2
121.02039	0.3
121.02847	5.1
121.03656	0.3
122.03629	5.5
125.03475	0.4
125.05965	0.2
125.07050	0.3
126.09142	2.6
127.03934	0.3
127.07515	0.7
130.06523	1.4
133.04982	1.5
134.05920	0.3
137.05960	100.0
138.06294	0.3
139.03874	0.8
146.05978	0.7
147.11644	0.3
150.07603	0.9
151.03929	1.5
151.07487	0.2
152.04245	0.9
153.05495	0.5
153.06537	0.3
153.55481	0.2
154.08609	4.6
155.05875	0.3
155.07011	2.3
157.07611	0.4
158.05978	0.2
162.11427	0.2
163.03891	0.9
172.07510	0.3
172.09682	3.4
200.27390	0.2
204.33411	0.2
208.81566	0.2
223.97633	0.3
237.02802	0.3
242.09232	1.3
249.97365	0.2
260.10339	0.3
265.06836	0.2
268.10950	0.3
283.08023	0.6
286.11877	0.8
293.09134	0.8
304.12918	2.0
334.15143	0.2
358.76196	0.2
407.12106	1.0
494.65582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34242	0.8
75.41677	1.0
81.07065	1.2
92.08623	1.0
94.79700	1.0
95.08576	2.0
109.30332	1.0
119.08498	1.4
123.01671	1.0
161.30888	1.0
164.98671	1.0
216.86539	1.1
230.89084	1.1
231.47661	1.4
385.28998	4.0
447.32629	1.5
465.33350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3937
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.05508	25.1
57.07073	34.3
57.73367	2.8
67.05486	25.8
69.07058	46.2
71.08610	19.0
72.89405	2.9
76.91240	3.0
79.05474	26.4
81.07033	75.0
83.04948	4.1
83.08610	27.2
85.06515	8.6
85.10172	14.7
91.05431	13.8
93.07021	38.7
95.04979	3.2
95.08577	71.2
97.06493	4.4
97.10129	16.5
99.18129	3.2
103.82552	3.2
105.07025	26.8
107.08582	45.1
109.10149	34.3
111.11696	7.7
119.08544	31.2
119.27944	3.7
121.10139	37.3
123.11681	8.7
125.05909	4.3
131.08521	6.3
133.10138	27.7
135.11636	21.2
137.13254	6.0
143.07016	7.2
145.10094	6.4
147.11618	22.6
149.13266	15.0
152.41608	3.6
159.11691	4.2
161.13283	6.7
163.14795	6.7
165.12700	3.4
173.13292	3.8
177.16374	4.2
187.14781	6.0
188.13470	4.0
189.16335	4.4
215.17911	5.2
222.25809	4.2
261.89856	3.5
429.37247	22.1
447.38205	100.0
452.37839	4.1
465.34030	8.9
465.39151	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3936
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
55.01866	1.4
55.05504	17.0
57.07059	10.8
57.16828	0.7
63.91277	0.9
65.06313	0.8
67.05486	3.5
69.07049	7.6
71.08622	6.4
79.05470	1.8
81.06644	0.8
81.07031	6.2
83.04459	1.3
83.04963	39.6
83.08602	3.7
85.10168	4.1
91.05448	3.7
93.07014	14.6
95.04940	1.5
95.08603	4.4
97.06522	1.3
97.10160	2.0
99.08094	1.1
105.04408	0.9
105.06954	1.2
107.08590	5.5
107.45753	0.9
109.06529	1.3
109.10133	1.6
111.08063	7.5
117.07017	1.7
121.06481	26.2
121.10081	1.6
123.08061	4.1
125.05959	1.3
127.07505	10.3
129.94463	0.9
133.10155	1.1
135.08031	16.8
137.09610	6.9
139.07518	80.2
140.38660	0.8
145.10161	1.0
149.09583	6.0
151.07539	1.8
153.09085	10.7
159.11885	1.0
163.07516	13.2
163.11234	1.2
165.09070	4.1
167.10626	3.4
176.08257	1.0
177.09103	1.3
177.12529	1.5
181.08553	8.8
181.12230	1.7
191.10727	1.0
191.14262	1.3
195.13892	0.9
205.12405	1.1
237.18747	0.9
391.71832	0.9
405.37289	1.2
416.28586	1.1
434.93961	1.0
447.38235	100.0
456.59802	1.0
465.32751	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	465.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87368	2.7
64.12654	2.8
68.74705	2.5
83.10322	2.6
89.53934	2.5
119.77341	2.9
163.59299	3.1
179.15778	3.0
245.38225	3.1
264.81354	2.7
451.98059	3.5
465.33450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46415	1.5
75.96732	1.7
81.07053	2.4
95.08633	2.2
104.97375	1.7
107.08616	2.4
137.30255	1.7
262.56647	1.9
293.58704	2.1
465.33505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39179	0.4
53.57040	0.4
69.07049	0.6
88.08573	0.5
92.09380	0.5
95.08544	0.5
107.08588	0.6
197.72061	0.5
289.17105	0.5
299.64932	0.5
303.04929	0.5
465.33386	100.0
466.33823	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	465.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72470	1.2
54.82089	1.1
58.06619	1.1
60.09484	1.0
66.13709	1.3
69.37558	1.2
72.53653	1.2
72.93914	1.2
83.53967	1.4
95.08598	1.5
97.23209	1.2
114.37716	1.7
122.06567	1.5
132.18542	1.5
144.94241	1.4
288.38525	2.0
401.33945	1.8
465.33353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	4.9
53.03933	5.3
55.01855	3.2
55.05499	21.7
57.03218	2.2
57.03429	39.5
57.26899	2.1
59.04992	4.2
61.02907	10.0
67.05488	43.2
69.03065	4.1
69.03412	82.1
69.07044	15.6
71.04966	10.1
73.02876	2.6
75.04436	2.6
76.59293	2.2
79.05471	41.2
81.03384	33.4
81.07037	72.4
83.04963	29.3
83.08602	14.4
85.02888	70.1
85.06525	3.4
86.09692	3.9
87.04453	55.4
87.49090	2.4
91.05451	48.3
93.07016	65.7
95.04950	18.0
95.08585	63.3
97.02862	40.4
97.06492	14.5
99.04378	2.9
101.05978	6.4
103.33054	2.7
105.07004	69.2
106.87908	2.6
107.04906	4.6
107.08572	79.5
109.06447	6.1
109.10131	67.3
111.08055	5.1
115.03902	34.8
115.05362	3.7
117.07004	23.0
119.04936	4.6
119.08566	51.2
120.08042	3.8
121.06461	9.4
121.10120	45.5
123.08018	3.9
123.11646	3.2
127.03854	3.0
127.07540	2.7
129.06961	15.8
131.08530	52.4
133.04936	25.3
133.10100	44.9
135.08022	14.1
135.11646	52.7
137.05940	12.8
137.09567	5.5
141.06946	3.9
142.07784	5.3
143.08531	29.2
145.10088	59.8
147.04385	4.4
147.07974	3.9
147.11668	47.0
149.09544	4.0
149.13217	17.5
151.11125	4.9
153.12721	43.4
155.08514	15.1
156.38466	2.4
157.10057	31.9
159.11667	45.7
161.13203	42.7
163.11128	2.9
165.12769	3.2
167.08543	4.4
168.09204	4.2
169.10066	16.2
171.11639	31.8
171.13748	16.3
173.13190	22.9
175.11147	4.5
175.14793	11.7
181.10103	6.3
183.11647	17.0
185.13190	21.3
187.11168	6.1
187.14772	18.4
189.12709	3.5
193.12212	15.3
195.11665	13.1
196.75110	2.5
197.13196	20.2
199.14714	19.3
201.16322	4.7
203.14224	5.0
209.13359	8.0
211.13124	6.0
211.14847	10.0
213.16342	14.4
215.14253	3.6
215.17882	25.1
223.14792	14.5
225.16325	12.3
227.17845	9.3
229.19583	3.0
237.16278	11.3
239.12106	2.5
239.17885	18.3
241.15802	3.2
241.19374	4.2
251.17911	5.9
253.19383	27.5
255.21036	25.1
257.12747	3.5
257.18890	3.0
267.21036	14.5
269.19122	3.3
269.22522	14.9
273.22025	5.6
277.19293	3.0
279.21002	71.4
285.16895	15.2
285.22070	5.4
297.22049	84.4
313.21454	5.3
315.23108	100.0
333.24142	80.2
385.85962	3.3
393.23874	3.2
411.25009	8.8
429.26196	4.5
447.27197	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	465.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.0
67.05482	7.0
69.07047	4.7
75.81936	0.9
79.05032	0.9
79.05477	4.1
81.07023	8.5
83.08607	2.4
89.03900	7.7
91.05462	1.4
92.68451	0.9
93.07026	4.7
95.08583	8.6
105.06998	2.4
107.08566	5.0
109.10148	2.2
112.10462	1.0
117.03358	36.3
119.04843	2.2
119.08566	2.5
121.10091	1.9
123.11682	1.9
133.10124	1.6
134.03586	2.0
135.04352	1.5
135.11684	2.5
145.02817	86.2
145.10121	1.1
147.04402	6.5
148.04713	1.9
149.05951	14.4
161.13242	1.1
163.03874	2.4
177.05431	100.0
178.05762	2.0
181.90999	1.1
182.57666	1.0
186.05606	1.1
195.06561	1.3
196.06833	1.3
215.18051	1.5
274.13239	1.2
274.73056	1.3
294.88297	1.1
465.28168	5.1
465.32462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46503	0.3
55.05505	2.1
57.07053	0.3
67.05497	1.6
67.40202	0.3
69.07050	3.2
72.65810	0.3
79.05460	1.4
81.07025	2.7
83.08598	1.2
89.03884	6.6
90.87331	0.3
91.05466	2.3
93.07022	1.8
95.08573	3.1
97.10130	1.6
105.07001	0.7
107.08623	0.5
109.10126	0.4
117.03351	30.4
119.08536	1.4
121.06443	0.4
121.10100	0.7
133.10129	0.7
134.03546	2.4
135.04370	2.4
137.09619	0.5
145.02818	84.6
145.10097	0.6
147.11691	0.6
149.05956	14.0
159.36078	0.3
163.03882	0.8
177.05420	100.0
178.05721	0.6
178.39839	0.3
186.05473	0.6
195.06458	2.1
215.27492	0.3
235.20506	0.8
253.21584	0.7
293.13858	0.4
445.16925	0.4
465.29019	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	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.3
56.96569	0.5
59.53818	0.6
61.21336	0.5
67.05492	1.0
68.54521	0.5
69.07056	4.8
79.05476	0.7
81.07046	1.3
83.08596	1.0
89.03899	6.5
92.65231	0.5
93.07027	2.3
95.08580	2.2
97.10147	1.1
105.07044	0.9
107.08594	1.1
109.10120	0.7
117.03357	25.5
117.04145	1.0
119.08594	0.9
121.10114	1.2
126.96574	0.7
133.10132	1.2
134.03621	2.7
135.04417	2.7
135.11609	0.9
145.02829	83.4
145.10138	0.6
147.04442	0.6
149.05959	12.4
177.05437	100.0
195.06483	1.3
202.56340	0.6
207.25612	0.7
214.16606	0.6
235.20607	0.8
253.21553	1.1
267.83115	0.7
324.48575	0.7
465.28439	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	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82051	0.4
55.05503	9.3
56.33762	0.4
57.07051	2.5
67.05488	7.8
69.07051	11.4
69.70207	0.4
71.04967	0.7
71.08617	0.7
78.77323	0.4
79.05473	4.0
80.53680	0.4
81.07034	11.6
83.04953	0.5
83.08603	7.2
85.06505	0.5
89.03896	5.9
91.05454	3.9
93.07019	6.1
95.04932	0.8
95.08585	10.6
97.06485	2.3
97.10152	6.3
97.83228	0.5
103.05444	0.8
105.07005	3.6
107.08572	4.1
109.10126	4.2
111.08062	0.8
111.11700	2.9
117.03356	22.2
118.37406	0.4
119.08565	4.1
121.10136	5.0
123.07958	0.5
123.11686	1.1
127.58628	0.4
133.10135	3.5
134.03609	2.1
135.04398	4.6
135.11685	4.2
137.09570	0.7
137.13239	0.7
139.11063	0.8
145.02827	67.8
147.11665	4.1
147.87885	0.5
149.05968	12.5
151.11133	0.9
153.12778	0.5
161.13210	2.3
163.03868	7.3
165.12686	0.6
171.06696	0.5
172.53996	0.5
175.14847	0.6
177.05428	100.0
186.05399	0.7
195.06488	13.2
217.19463	6.0
235.20547	6.7
251.20134	0.5
253.21565	6.2
271.22443	0.6
303.15567	0.5
464.15491	0.6
465.29733	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	465.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99210	1.7
53.54076	2.0
55.05490	10.4
57.03429	22.4
59.04979	4.3
61.02905	3.5
62.15149	2.1
67.05499	17.9
69.03417	53.8
69.07056	4.0
75.04469	2.8
78.44934	1.9
79.05455	17.3
81.03378	3.2
81.07035	34.1
83.04955	2.7
83.08618	3.1
83.65317	2.4
85.02887	38.9
87.04449	38.4
91.05441	24.7
92.08917	12.6
93.07024	36.7
95.04935	2.5
95.08578	36.5
97.02882	26.1
100.84444	2.4
101.05971	9.7
105.07011	47.5
107.04926	2.3
107.08578	40.7
109.10133	26.7
115.03902	11.6
117.06997	21.5
119.08547	30.4
121.10111	36.5
123.07916	2.1
129.06999	11.5
131.08528	39.1
133.04904	10.5
133.10098	81.2
135.08002	3.2
135.11655	35.1
137.02328	3.7
139.04012	2.1
143.08530	18.1
145.10097	71.0
147.11653	36.1
149.13214	9.2
149.86591	3.2
151.11160	47.8
153.01796	3.6
155.08527	9.6
157.10094	21.6
159.11671	49.2
161.13213	23.1
163.11139	39.1
169.10011	16.5
171.11639	20.1
173.05899	3.2
173.13162	16.6
175.14783	4.5
177.12802	2.4
181.10054	5.5
182.10838	2.7
183.11607	16.8
185.13176	27.7
187.11235	3.7
187.14781	10.2
195.11575	3.2
197.13206	12.8
199.14778	12.2
201.12802	2.8
203.14290	4.3
209.13156	5.2
211.14827	10.0
212.07100	8.5
213.16333	4.0
215.14212	5.2
215.17926	5.0
223.14764	11.7
225.16414	3.4
227.17931	4.5
229.04987	3.9
237.16344	11.9
239.17931	10.9
241.19397	8.5
251.17938	4.4
253.19392	13.5
255.20972	27.0
257.04510	3.3
267.21014	15.9
269.22443	12.0
273.21997	4.3
278.10049	4.4
279.20993	62.9
285.22012	11.7
297.22055	85.4
297.25391	3.4
303.04904	100.0
313.21332	3.4
315.23114	85.5
333.24158	66.5
363.06689	2.6
379.93451	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2632
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
53.03931	1.2
55.01863	2.0
66.46338	1.2
69.07048	11.9
81.07057	2.1
83.01305	2.6
92.09351	1.4
93.07059	4.2
95.04936	6.0
105.03371	49.6
105.04479	1.3
107.08568	5.3
109.10117	1.5
109.92488	1.0
123.11707	2.9
135.11662	5.4
137.02316	4.8
141.01796	6.0
151.03882	7.0
155.03447	2.1
165.05420	11.4
167.03247	1.3
167.58934	1.0
169.04916	1.8
179.03357	100.0
197.04424	68.4
207.39006	1.1
245.08061	1.7
257.08029	85.0
269.07809	1.2
323.12772	1.5
325.14185	7.2
379.18997	21.4
391.19064	2.4
465.33557	4.6
473.45355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	3.1
53.03940	1.5
55.01861	3.2
55.05491	5.0
56.72057	0.6
57.03429	40.9
57.07064	14.4
58.03763	1.2
59.04987	14.2
61.02903	3.3
67.05486	11.3
68.32597	0.8
69.03415	100.0
69.07068	9.6
70.03738	1.4
71.01328	0.8
71.04980	5.6
73.02898	8.0
75.04446	4.3
79.05464	3.0
81.03390	4.5
81.07036	9.6
83.04955	1.6
83.08589	3.3
85.02888	70.4
85.06522	5.6
85.10178	0.9
86.03222	1.7
86.09667	1.0
87.04450	47.5
91.05451	4.6
93.07041	8.3
95.04942	5.2
95.08583	58.9
97.02868	59.7
97.06516	7.3
98.03210	1.8
98.97566	1.6
99.04448	1.1
99.08067	10.1
105.07023	1.5
107.04966	1.3
107.08594	10.1
109.02844	4.0
109.06495	15.8
109.10146	11.8
111.08059	5.9
113.09631	40.6
115.03909	38.2
116.04248	1.4
116.98595	0.9
117.07000	1.4
119.08544	1.9
121.02893	7.7
121.10078	1.4
122.03175	4.0
125.09608	1.0
127.03908	4.4
127.11169	8.7
133.04939	28.5
134.05289	1.7
135.11665	10.5
137.05898	1.3
137.09558	3.8
137.13235	1.8
139.03799	0.9
145.04930	3.1
151.03893	0.9
151.11067	1.1
153.05470	8.1
153.12720	38.9
154.05772	1.9
155.14270	12.8
159.11736	1.0
167.06982	1.5
168.26215	0.8
171.13750	19.3
177.05441	0.7
181.04955	0.9
195.13745	1.6
213.14813	12.2
215.09549	1.1
249.14799	1.8
267.15689	1.3
285.12375	1.6
297.17056	1.0
303.04901	5.0
303.17917	1.2
328.90134	0.9
465.13306	4.5
465.22839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17629	0.3
53.03936	0.7
55.01861	0.4
56.04955	0.4
56.14759	0.4
57.03429	0.6
57.33331	0.4
65.03923	3.1
67.05484	1.0
68.27274	0.4
69.03403	2.7
70.24812	0.4
71.04964	0.5
81.03409	3.3
82.04189	0.8
83.04967	0.6
85.02885	4.2
87.04443	0.5
93.07008	0.6
95.04942	2.0
97.02857	2.7
97.06492	0.7
101.05975	0.7
105.03373	0.5
107.04937	0.8
107.08582	0.8
108.02068	0.5
109.02853	0.9
109.91711	0.4
110.03674	0.9
111.04468	0.6
117.07005	0.5
123.04407	0.8
125.05995	0.7
127.03926	0.6
134.59064	0.4
135.04417	0.8
135.08017	1.9
136.08359	0.7
137.02275	0.7
137.05954	0.6
138.03082	0.5
140.04662	4.0
142.02568	0.8
152.75070	0.4
153.01764	0.6
153.05452	0.9
155.07054	2.0
161.05891	0.4
162.05467	0.5
165.01889	0.4
167.07031	0.5
171.06439	4.6
171.09964	0.9
181.04913	59.3
182.05237	0.6
193.04807	0.6
194.05261	0.5
199.06024	1.7
275.04483	0.8
297.44537	0.5
303.04916	10.8
303.13312	2.6
325.09216	2.1
333.15170	8.7
343.10052	2.3
362.10754	0.4
465.19342	100.0
466.19672	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	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.5
53.03945	1.7
55.01861	1.5
55.05490	6.0
57.03431	39.6
57.07074	17.2
59.04997	12.8
61.02917	1.6
67.05487	10.6
69.03418	100.0
69.07057	10.7
70.03735	1.5
71.04973	6.4
73.02928	7.6
73.51957	0.9
75.04449	2.6
79.05463	2.4
81.03386	5.1
81.07039	8.6
83.08607	4.3
85.02893	71.1
85.06538	7.4
86.03233	2.0
87.03940	2.2
87.04453	53.9
91.05455	2.6
93.07017	8.9
95.04955	7.2
95.08591	62.8
97.02873	62.4
97.06512	5.2
98.03262	1.1
98.97568	2.1
99.08077	12.1
107.08600	9.6
109.02834	2.1
109.06512	16.9
109.10149	11.6
111.04395	1.5
111.08048	6.0
113.09631	39.9
115.03143	2.2
115.03918	41.7
116.04213	1.5
119.08547	1.6
121.02856	9.3
122.03191	2.7
127.03889	2.7
127.11148	9.6
133.04948	33.2
135.08006	1.4
135.11673	10.9
137.09550	1.3
137.13243	4.1
145.04955	2.4
153.05449	6.3
153.12746	37.6
154.05803	1.6
155.14320	10.8
171.13757	19.2
177.12720	5.3
179.05399	1.3
195.13684	1.2
213.14809	9.8
214.20056	1.1
249.14667	1.4
267.15860	1.4
285.12115	1.4
303.04901	2.0
333.18982	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	465.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.2
53.03928	0.9
54.81777	0.2
55.01854	0.9
55.05494	0.4
57.03434	1.9
59.04980	0.3
61.02675	0.2
61.02916	2.6
64.33512	0.2
66.45242	0.2
67.01802	0.2
67.05473	0.5
68.99759	1.2
69.03413	8.4
69.07046	0.3
71.04963	0.9
73.02909	1.4
77.56721	0.2
79.05477	0.2
81.03397	3.1
81.07012	0.4
83.04949	0.2
85.02889	14.3
85.06520	0.2
87.04463	1.4
91.03915	0.4
91.05436	0.3
92.09245	0.4
93.03383	0.3
93.07013	0.9
95.04936	1.2
95.08562	0.4
97.02872	5.8
97.06490	0.8
99.04423	0.8
105.07020	0.3
107.08578	1.2
109.02860	2.0
109.10117	0.7
111.00780	1.7
111.04410	0.2
113.71008	0.2
115.03891	0.4
118.95861	0.2
119.08523	0.2
120.08066	0.4
121.02840	2.1
123.04369	0.3
126.05521	0.3
126.27252	0.2
127.03927	2.0
131.04887	0.4
133.04956	0.4
135.04399	0.2
135.08012	0.8
135.11667	0.8
137.02318	5.5
137.03368	0.2
137.05940	3.1
145.04970	1.2
145.06508	0.2
149.02316	0.9
153.01804	7.2
153.12703	1.0
155.04929	0.2
163.03903	0.5
165.01776	2.9
166.02565	0.4
167.07141	0.2
171.13770	0.3
173.05911	0.8
177.05534	0.2
183.02834	1.6
183.04250	0.2
187.03891	0.4
191.03304	0.3
201.05428	3.2
205.05019	0.4
219.06482	0.4
228.04071	0.3
229.04918	8.7
247.06058	1.3
257.04364	4.5
274.04648	1.5
275.05319	0.3
285.03946	2.2
285.12411	0.3
303.04929	100.0
304.05356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03938	0.8
54.81747	0.2
55.01862	1.4
57.03426	1.9
59.04962	0.2
61.02918	2.6
64.26575	0.2
67.05481	0.2
68.99773	1.2
69.03074	0.2
69.03418	6.1
71.04957	0.8
73.02899	0.9
81.03401	2.6
85.02888	12.8
87.04431	0.8
91.03946	0.3
91.05467	0.2
92.09065	0.3
93.03381	0.2
93.07005	0.3
95.04937	0.2
97.02869	4.5
98.56512	0.2
99.04419	0.9
99.96931	0.2
107.08604	0.3
107.09499	0.2
109.02878	2.0
109.74113	0.2
111.00781	1.3
114.10288	0.2
114.37138	0.2
121.02859	1.4
123.04385	0.4
127.03925	1.7
133.10138	0.4
135.04388	0.2
137.02316	5.6
137.03378	0.2
145.04941	1.2
145.10081	0.2
149.02319	0.8
153.01805	7.5
157.06421	0.3
161.05983	0.3
161.64760	0.2
163.03888	1.3
165.01787	3.6
166.02467	0.2
171.11758	0.2
173.05891	0.9
177.05402	0.2
183.02827	1.0
183.04350	0.3
187.03929	0.4
194.26382	0.2
195.02843	0.3
201.05409	3.3
205.04942	0.2
219.06497	0.3
228.04065	0.3
229.04930	7.1
247.05930	1.3
257.04401	4.3
274.04636	1.2
278.10193	0.2
279.21085	0.3
285.03787	1.9
303.04919	100.0
304.05261	0.9
333.24231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93185	0.2
52.38948	0.3
53.03936	1.6
53.07485	0.2
54.94859	0.3
55.01850	0.6
55.05506	2.2
56.05838	0.3
57.03435	2.9
59.04985	2.4
61.02923	2.2
62.57177	0.2
65.03925	0.3
66.54741	0.3
67.05498	0.4
69.03419	7.9
69.07060	2.9
69.59111	0.3
70.06576	0.4
71.04965	1.4
71.39758	0.3
73.02907	0.4
77.38020	0.3
78.04683	1.5
79.05486	2.1
79.12636	0.3
81.03410	3.3
81.07033	1.5
82.03709	0.3
82.06560	0.4
83.04955	1.6
84.05304	0.3
85.02892	13.5
87.04440	1.6
89.03909	0.6
91.05459	1.8
92.04993	0.4
93.07022	0.7
94.06538	1.7
95.04916	1.1
95.08579	0.4
96.04436	0.5
97.02872	7.4
97.06482	1.3
98.06023	0.3
99.04448	0.7
101.05965	0.6
103.05395	0.3
105.03382	0.3
105.06981	0.4
106.04157	1.2
106.06566	1.2
106.21162	0.3
107.04947	0.5
109.02874	2.2
109.06503	0.7
109.10104	0.4
110.06029	4.5
112.07571	0.8
115.03902	0.7
117.03345	0.4
119.04900	0.5
120.04447	8.7
120.05241	0.6
122.03645	0.4
122.06020	3.8
123.04414	3.9
124.04631	0.3
124.05273	0.7
124.07573	6.2
127.03902	1.8
133.05016	0.5
133.06470	0.7
134.05988	2.6
135.04398	0.4
136.07582	0.5
137.05995	2.5
138.05472	0.4
140.07043	6.7
140.83815	0.3
141.07831	6.6
142.08618	15.2
144.04430	1.2
145.02814	1.3
145.04945	2.1
147.04309	0.4
149.05949	0.7
151.03864	0.8
151.07574	0.5
152.04614	0.7
152.10651	0.3
153.05429	1.2
153.12709	1.6
154.08604	1.9
161.05978	0.7
162.05473	100.0
163.06227	1.2
164.07033	1.5
167.07005	62.6
168.07336	17.7
169.08133	0.5
170.11752	2.5
171.10063	0.3
171.12137	0.3
171.13748	0.6
177.05396	2.1
178.06126	0.4
193.08548	0.7
196.07310	0.7
198.09047	0.4
211.09602	0.6
212.10037	0.5
215.11845	0.5
216.10176	2.3
217.13338	0.5
230.08102	0.5
240.10239	0.4
243.11275	2.0
244.09641	1.9
258.11243	2.6
261.12280	6.2
268.09735	0.4
279.13361	3.0
279.16089	0.3
285.12650	1.9
286.10703	2.5
286.13458	0.4
303.13342	42.2
372.37286	0.3
424.96341	0.3
440.10709	0.3
465.18259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.8
53.03936	1.3
55.01854	1.6
55.05502	34.4
55.13369	1.1
56.05823	2.1
57.03431	17.6
57.07061	5.5
67.05490	62.3
69.07051	39.3
69.93750	1.1
70.07387	2.5
71.04977	1.8
71.08617	1.7
71.38053	1.1
79.05473	30.2
81.07038	67.3
81.21024	1.3
82.07368	2.9
83.04966	2.1
83.08592	23.1
84.08926	2.6
85.06528	2.6
91.05456	26.0
92.05788	2.3
93.07018	42.9
94.07341	1.4
95.04941	2.6
95.08583	55.9
96.08913	3.0
97.06508	5.4
97.10137	17.5
98.10442	2.8
98.98481	1.3
99.08045	1.6
105.07012	13.9
106.07313	1.9
107.08569	30.6
109.06506	2.1
109.10137	26.2
110.10486	1.9
111.00957	1.3
111.11702	3.2
112.99993	50.5
117.06988	2.1
119.04921	34.2
119.08549	18.0
120.05255	8.1
121.10124	20.7
122.10480	2.2
123.08092	1.7
123.11669	7.5
129.90796	1.3
131.08562	6.3
133.10100	11.6
135.11671	13.4
137.09596	2.4
137.13286	1.6
139.11165	1.8
145.10118	2.8
147.04385	100.0
147.11659	10.7
148.04720	31.3
149.13242	8.2
151.11214	2.1
159.11697	5.4
161.13199	7.0
162.13652	1.4
163.14813	5.1
165.05441	5.2
165.21182	1.4
169.02567	11.6
173.13225	2.1
175.14789	2.9
187.03697	2.7
187.14732	2.1
189.16389	2.7
201.16331	1.9
215.17856	1.8
243.21011	1.5
246.22723	1.8
261.22147	5.2
263.23611	3.1
264.24020	7.1
265.21567	1.9
281.24722	7.4
282.25153	6.0
335.25766	75.3
411.32480	6.6
429.33405	8.3
463.30536	1.7
464.32010	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	464.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29054	2.5
55.05492	18.5
56.28867	2.4
57.03422	6.8
60.25851	3.1
60.61909	2.4
67.05488	61.1
69.07043	26.3
79.05488	27.3
81.07042	65.0
83.08594	16.4
84.73835	2.9
91.05439	17.6
93.07018	39.0
95.08006	4.2
95.08585	70.7
97.06519	5.5
97.10113	6.1
105.06971	13.9
107.08585	24.9
108.25011	2.8
109.10149	41.1
111.08028	4.4
112.99982	27.1
118.90933	2.8
119.04939	25.3
119.08542	17.0
121.10098	25.1
123.11678	7.3
131.08528	4.2
133.10081	19.4
135.11658	16.6
136.36232	3.5
137.09550	4.0
145.02803	6.3
145.10138	6.4
146.03101	5.3
147.04387	100.0
147.11655	6.3
148.04730	3.9
149.13260	4.5
151.11182	3.6
159.11639	4.5
161.13220	3.3
165.05453	12.1
169.02637	4.6
177.05434	6.8
178.05804	5.9
215.17975	4.9
233.18991	5.3
251.20041	30.4
298.44388	3.4
312.21039	4.1
335.25763	53.9
361.08929	3.2
450.74164	3.1
464.31790	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	464.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64737	0.6
53.03946	1.4
55.01869	1.2
56.96553	2.8
57.03429	57.4
59.04993	1.6
61.02916	16.7
65.03914	1.1
67.05505	1.6
67.59192	0.5
69.03415	55.8
69.07043	1.0
71.01336	6.3
71.04968	2.7
73.02900	100.0
79.05469	1.3
79.71056	0.7
81.03420	5.8
81.07036	2.6
83.05018	0.6
84.96030	0.6
85.02891	61.8
85.06522	1.1
87.04452	5.3
91.03935	1.2
91.05476	0.9
92.09299	1.4
93.07023	2.6
95.04969	1.6
95.08591	2.6
97.02869	75.8
97.06512	0.7
98.97551	0.8
99.04431	3.1
105.07006	2.7
107.08603	2.7
109.02867	4.5
109.06487	0.9
109.10201	2.2
111.08094	0.8
115.03915	41.1
116.98595	1.4
117.07010	1.0
119.08561	1.3
121.02845	92.0
121.06450	0.8
121.10159	1.2
123.11685	1.1
127.03907	12.4
129.05464	1.1
131.08571	1.0
133.04942	12.1
133.10135	0.8
135.08017	1.3
137.05945	11.2
143.08548	1.3
145.02855	3.6
145.04929	10.7
145.10120	2.9
146.03171	1.6
147.04420	1.0
147.11728	0.7
151.11127	0.8
153.05449	84.0
157.10138	1.3
159.08061	0.8
159.11708	1.5
163.05997	3.0
166.08543	0.7
167.06984	1.4
169.12201	6.4
170.12529	3.1
171.11674	0.9
177.05441	4.1
178.05843	2.8
186.99182	1.0
187.11227	1.1
203.14174	0.7
219.01654	0.9
223.05930	1.6
241.07072	3.8
249.14809	1.4
259.08124	2.6
267.15848	2.7
316.07916	0.8
402.48792	0.8
463.21286	2.8
464.21945	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	464.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01862	0.4
55.05510	1.8
55.57422	0.2
56.17693	0.2
57.03423	1.1
59.04993	2.1
61.02913	0.3
61.79901	0.2
65.70798	0.2
69.03412	3.1
70.11420	0.2
71.04976	0.3
73.02887	0.2
78.04693	1.5
79.05466	1.2
81.03404	2.5
81.07030	0.3
83.04974	3.0
85.02889	4.2
87.04449	0.3
91.05467	2.0
91.65041	0.2
93.07030	0.3
95.04936	0.8
97.02874	5.8
99.04436	0.4
101.05965	0.8
103.05409	0.5
105.03369	0.4
105.07013	3.0
106.04165	1.7
107.04950	1.4
108.04458	0.3
108.69952	0.2
109.02887	2.0
109.06490	0.8
110.06001	0.2
115.05445	0.3
119.04930	3.0
121.06493	1.2
122.03662	0.2
123.04411	6.0
123.08101	0.3
124.05198	2.7
127.03907	1.8
130.83908	0.2
133.06479	3.0
134.03587	1.0
135.04375	0.4
135.07993	0.2
136.05148	0.4
137.05917	0.9
140.04681	1.1
140.07179	0.2
142.08675	0.3
145.04974	1.5
146.03593	0.2
147.04381	1.1
147.61955	0.2
149.05937	1.8
151.03920	1.2
151.07532	2.5
152.04645	2.6
152.10675	0.5
153.05440	6.9
161.05956	4.3
162.05447	1.9
167.07011	100.0
168.07784	9.0
170.11720	2.2
177.05476	0.3
178.06235	1.9
179.06978	1.0
181.08549	0.4
193.08571	4.0
196.07281	8.1
196.09004	0.4
209.07996	0.5
211.09637	6.1
241.12050	0.2
261.12164	0.2
267.12268	0.3
285.13254	4.9
303.13351	0.3
332.17010	0.2
339.95682	0.2
356.43936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01855	0.7
56.58894	0.4
56.93015	0.4
57.03418	2.2
59.04974	0.5
61.02909	1.0
66.02517	0.4
69.03411	12.1
70.36499	0.5
71.04969	25.3
73.02870	1.1
73.97417	0.4
79.05478	0.8
81.03388	10.9
81.06992	0.5
83.04951	2.0
85.02881	16.9
87.04435	0.9
89.06004	100.0
91.05448	1.9
95.04938	1.0
97.02862	39.3
97.58139	0.5
98.97564	0.6
99.04408	6.3
103.03944	1.8
105.03357	6.2
105.07025	2.2
107.04958	0.6
108.04464	0.8
109.02851	11.1
109.06508	0.7
111.04439	2.0
115.24817	0.5
117.03327	0.8
117.05476	0.5
119.04912	2.2
123.04418	1.1
126.05479	0.5
127.03880	14.9
131.04901	0.6
133.06464	2.7
135.04402	3.4
135.06482	13.7
135.08083	0.9
137.05931	1.0
145.02849	1.9
145.04918	10.3
145.33150	0.5
146.03174	0.6
146.06090	0.5
146.07419	0.4
147.04408	2.5
148.04816	0.9
151.07521	6.9
161.05936	0.7
162.05498	2.5
165.05507	0.7
165.09050	1.1
165.50444	0.4
167.07008	4.3
175.06090	0.5
175.07428	1.5
177.05446	2.0
178.05940	0.6
179.06989	0.5
181.08574	0.5
189.09048	0.6
193.08632	2.3
197.08119	2.1
199.07526	0.7
215.09044	1.0
217.08650	0.9
219.08578	0.9
235.09526	3.2
243.08627	1.9
259.09589	3.9
261.09616	4.6
267.08578	2.1
277.10651	5.8
279.10602	2.7
303.13370	0.7
343.51093	0.5
393.15402	0.7
411.16382	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	464.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.2
53.03926	0.9
53.45164	0.2
54.51876	0.2
54.82055	0.2
55.01852	0.2
55.05487	0.2
56.96557	0.3
57.03424	0.9
64.45087	0.2
65.03910	1.0
67.05473	0.5
69.03413	4.5
69.07039	0.4
71.04978	0.9
73.02910	0.3
79.05476	0.4
80.47535	0.2
81.03394	8.9
81.07043	1.1
83.04934	0.3
85.02889	4.0
87.04437	0.3
91.05438	0.8
93.07019	1.0
95.04935	6.5
95.08591	1.0
97.02866	6.9
99.04415	1.3
99.08054	0.3
105.07005	1.1
107.08593	0.4
109.02863	4.0
109.10170	0.3
111.04437	1.8
112.88330	0.2
115.03931	0.3
119.04942	0.4
119.08537	0.3
121.02837	100.0
121.10088	0.2
122.03152	0.3
127.03884	2.7
133.04953	0.3
133.10101	1.1
134.10542	0.3
135.11650	1.3
136.07527	0.3
137.05939	1.0
139.03882	16.1
145.04973	0.4
145.10051	0.3
146.05984	2.6
147.04366	2.6
147.11671	0.3
223.06334	0.3
229.67284	0.2
230.25056	0.2
242.08124	1.3
265.06989	9.7
283.08044	9.7
286.06973	0.3
304.08029	0.5
411.15244	1.0
445.56097	0.3
463.32108	0.3
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
53.03925	1.0
53.93976	0.7
55.01861	0.7
56.05031	5.5
57.03431	3.3
60.04513	0.8
60.38748	0.5
60.74208	0.6
61.01133	4.1
61.02910	3.2
65.03922	1.0
67.05485	1.3
69.03423	9.2
69.07056	3.9
79.05473	17.7
81.03393	3.9
81.07036	41.9
82.06557	7.2
83.04974	1.8
84.08113	1.0
85.02892	16.0
86.09685	18.4
87.04440	1.3
87.05576	6.2
89.03854	0.7
91.05447	0.8
92.08821	1.2
92.09312	0.8
94.85387	0.9
95.04948	3.3
96.08105	12.0
97.02856	7.8
97.06501	13.0
98.80576	0.6
98.97579	0.7
104.05309	11.0
105.03366	14.2
105.07018	0.8
106.06574	1.7
107.04959	7.1
109.02876	1.4
109.06496	10.6
113.05988	4.2
121.02859	4.9
124.07564	50.6
125.05964	10.5
127.03896	4.7
133.06052	7.1
135.04398	3.4
139.03946	0.8
140.07053	1.1
143.08144	7.3
145.02779	1.1
152.07039	100.0
153.05452	18.3
159.08035	2.5
161.05969	1.2
163.03859	6.3
167.07051	1.0
170.08087	67.2
173.12808	1.3
187.07538	1.1
191.06947	0.7
191.08473	1.8
201.12355	2.9
204.07901	1.1
214.24532	0.7
249.11084	5.7
264.10147	5.0
267.08545	1.3
275.29251	0.9
283.08014	0.7
284.11139	1.1
314.12088	5.2
314.15463	1.0
332.13376	6.7
351.13254	1.2
463.17871	0.9
487.12595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.93984	1.0
55.01860	1.2
55.05488	0.8
56.05027	8.4
57.03412	3.3
57.12207	0.6
61.01114	3.4
61.02906	1.6
67.05474	1.5
68.05004	0.9
69.03413	11.0
69.07037	3.2
70.06581	0.9
71.04966	0.9
79.05476	17.3
81.03388	3.7
81.07037	45.3
82.06562	6.1
83.04948	1.1
85.02885	18.0
86.09687	18.8
87.04453	2.8
87.05574	3.9
91.05431	0.8
94.06612	1.0
95.04939	1.3
96.08103	12.8
97.02866	7.6
97.06509	10.7
98.97569	1.0
99.04434	0.9
104.05306	13.7
105.03372	15.4
105.06998	1.3
106.06524	4.1
107.04921	4.8
109.02866	3.0
109.06496	12.4
111.04454	1.0
113.05970	3.4
116.98615	1.4
121.02824	4.4
121.06468	1.0
123.04361	1.1
124.07562	50.7
125.05966	8.9
127.03912	3.7
129.06868	0.7
131.08560	1.0
133.06050	7.5
134.05974	3.0
135.04367	3.1
137.05984	1.0
140.07036	0.8
143.08113	8.2
145.04913	1.0
152.07043	100.0
153.05449	17.1
159.07953	1.2
161.01167	0.9
161.05898	1.1
163.03856	7.8
166.08623	1.1
169.73509	0.8
170.08089	63.2
178.64063	0.8
187.07545	1.1
191.08478	2.8
201.09071	0.8
201.12267	1.3
249.11136	7.7
264.10083	7.2
267.08640	1.6
275.87955	0.8
284.11115	1.9
312.33032	0.9
314.12076	3.9
314.15436	1.5
321.82135	0.8
332.13275	9.2
351.12845	1.2
353.49469	0.8
383.24768	0.8
464.17789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
51.89710	1.2
55.05508	18.6
57.07067	7.5
59.04988	5.6
67.05502	15.4
69.03437	1.5
69.07063	29.3
71.04977	2.2
76.54655	1.1
78.48370	1.4
79.05489	9.7
81.07048	33.2
83.08609	18.1
85.06538	3.1
91.05462	8.0
91.73441	1.4
92.09338	1.6
93.07024	29.5
95.04945	1.9
95.08597	61.1
97.06526	6.0
97.10155	18.1
100.31005	1.3
105.07025	19.4
107.08585	45.5
109.09475	2.6
109.10152	34.4
110.68636	1.3
111.08080	3.0
111.11747	1.8
113.09721	1.2
117.07014	2.4
119.08567	29.3
121.10123	36.2
123.08062	2.5
123.11684	12.4
125.09635	6.5
131.08549	9.1
133.10120	24.6
135.11684	31.1
137.13252	8.0
142.80461	1.4
143.08577	2.6
145.10133	20.8
147.11668	21.5
149.13266	14.0
151.77589	1.3
157.10136	7.1
159.11662	26.0
161.13263	11.5
163.14900	9.7
171.11691	5.6
173.13242	14.3
175.14780	2.3
177.16383	3.1
181.15860	5.6
185.13264	5.6
186.14041	2.7
187.14783	17.4
189.16377	1.7
191.17966	7.6
195.17519	2.9
199.14862	3.0
201.16393	33.4
203.17946	16.8
213.16383	6.1
214.16985	2.1
215.16212	4.4
215.17981	8.4
223.20628	1.9
227.17857	2.4
229.19540	10.3
231.21031	2.8
237.18576	2.8
241.19516	1.8
265.21646	2.0
371.29541	1.6
409.34570	8.8
427.35638	100.0
445.31180	1.8
445.36765	27.9
463.31744	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	463.378
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05484	32.8
57.07064	36.9
58.36750	3.8
63.56613	4.5
67.02068	4.4
67.05471	9.6
69.07058	44.3
71.08609	39.0
79.05447	18.9
81.07021	51.0
83.08623	36.3
85.10144	8.0
91.05453	12.3
92.08653	6.2
92.09157	16.8
93.07018	47.5
95.08564	63.7
97.10139	18.9
99.10583	5.2
105.06983	53.9
106.54226	5.0
107.08563	51.4
109.10148	45.0
111.11705	6.3
119.08541	33.7
121.10102	36.7
123.08047	5.1
123.11657	7.6
131.08563	39.3
133.10107	48.2
133.81996	5.4
135.11671	22.1
137.05946	12.6
139.07539	8.0
145.10101	30.5
147.11667	23.5
149.13292	16.8
155.16006	4.7
157.10069	7.1
159.11656	30.2
161.09433	6.1
161.13208	12.5
163.14731	6.2
165.09090	6.5
173.13249	9.5
175.14819	7.3
179.10681	5.8
187.14731	9.0
191.10690	11.0
218.42244	5.8
233.15311	7.8
343.33740	12.3
427.35556	51.4
445.36694	100.0
446.36987	6.3
463.38608	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	463.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	30.4
57.07059	16.9
57.07296	2.1
60.19995	2.4
67.05498	9.6
69.07050	42.0
71.08603	3.8
78.42927	2.4
81.07034	16.7
83.08599	26.5
93.07033	12.9
95.08576	12.9
97.10137	14.1
105.07002	2.7
107.08586	6.1
109.10128	11.8
111.11687	4.2
119.08522	4.4
121.10137	9.8
131.08615	2.5
133.10126	4.0
135.08017	4.6
136.89532	3.0
137.09581	14.3
149.09583	28.3
154.12337	2.7
161.13306	2.7
163.11172	3.8
165.09061	100.0
173.09578	3.6
175.11168	6.4
176.08290	3.0
177.09045	12.2
187.11221	3.7
189.09036	3.3
191.10643	10.6
202.09921	3.3
203.10626	5.1
203.14320	4.9
205.12268	24.3
216.11482	3.6
219.13857	4.6
231.13734	5.4
257.35593	2.9
409.33923	3.2
427.35605	31.5
463.32141	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3776
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01859	1.5
55.05503	16.5
57.03432	1.1
57.07069	37.9
67.05492	7.2
69.06708	1.5
69.07056	27.1
69.69411	0.8
71.08620	25.1
71.64272	0.8
79.05476	5.3
81.07044	16.6
82.94982	0.8
83.04984	1.3
83.08601	14.4
85.09666	1.2
85.10168	11.1
91.05447	4.4
92.08694	1.8
93.07014	7.5
95.04951	1.7
95.08587	15.4
97.02893	1.1
97.06506	3.4
97.10160	12.0
99.04441	3.9
105.03800	0.9
105.07014	7.7
107.04941	1.3
107.08615	6.9
109.06510	11.5
109.10147	9.0
111.08061	1.7
111.11715	5.6
113.37514	0.8
119.08560	4.7
121.06522	1.2
121.10136	5.1
123.08035	11.7
123.11681	2.2
125.05963	19.3
125.09592	1.2
126.06750	1.3
127.07529	23.1
130.56097	0.8
131.08551	2.0
133.10083	2.1
135.08041	2.2
135.11646	2.1
137.05965	7.4
137.09618	3.9
139.07520	100.0
145.10130	1.5
147.07962	1.2
147.11755	1.4
149.05930	4.2
149.09615	1.8
151.07512	8.1
153.09065	1.3
161.13234	1.7
163.07481	1.6
165.09088	4.6
165.12769	1.0
167.06976	1.6
169.08592	1.4
170.25523	0.9
177.09032	8.6
189.12675	1.4
191.10654	1.2
193.12114	1.6
203.14290	1.3
207.13792	1.7
221.15408	1.2
301.28955	4.1
319.29877	6.9
347.32947	7.1
385.34088	1.2
399.36047	2.0
403.35956	1.6
404.28418	1.2
414.53430	1.0
417.37119	9.8
427.35461	1.7
445.36697	49.4
463.37772	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	463.3779
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
50.24570	0.8
52.00449	0.9
53.00310	2.1
55.05306	1.0
55.05509	17.3
56.68122	0.9
57.07067	35.3
57.07334	2.4
63.04766	0.9
67.05489	7.0
69.07056	24.9
71.04958	1.4
71.08614	26.0
79.05462	4.8
81.07040	18.7
83.08604	16.1
85.10162	12.6
90.32623	1.0
91.05460	4.6
93.07037	8.5
95.08584	18.2
97.06528	1.7
97.10147	7.8
99.04439	5.3
105.07016	6.5
107.04945	1.6
107.08588	6.9
109.06504	17.6
109.10161	9.6
111.08048	1.4
111.11692	5.0
119.08553	5.4
121.10147	5.5
123.08051	11.3
125.05978	16.5
125.09641	1.1
127.07518	25.2
128.73973	1.1
131.08488	1.7
133.10118	1.7
135.08073	1.2
137.05949	5.5
137.09654	4.4
139.07520	100.0
145.10115	1.8
147.11667	2.0
149.05992	5.3
149.09593	2.5
149.13336	1.0
151.07524	7.2
151.11342	1.3
153.08995	1.2
161.13307	1.9
163.07468	1.9
165.09091	2.4
166.76974	1.0
167.07031	1.6
169.08525	1.8
177.09061	12.4
179.10634	1.8
246.43639	1.1
271.68253	1.2
319.29944	6.5
347.32986	12.0
373.30933	2.7
399.36182	2.2
417.37201	12.9
445.36734	44.0
446.36658	1.4
463.37762	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3777
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
53.51547	4.1
55.05502	22.2
63.98676	3.3
64.33928	4.7
67.05482	6.6
69.07042	23.8
73.51253	3.5
79.05524	4.3
80.68991	3.9
81.07034	7.9
83.04958	51.3
83.08591	9.6
83.94164	4.4
87.42258	3.6
91.05464	4.9
93.07040	17.6
95.04945	4.2
95.08592	18.5
96.48270	3.4
97.10155	5.3
99.08038	4.1
107.08594	5.7
111.08080	3.9
121.06434	27.6
121.10159	4.3
125.06033	4.6
126.42868	3.7
127.07507	8.1
132.55992	5.0
135.08044	8.9
137.09589	5.9
139.07506	77.5
151.07573	5.6
153.09074	6.4
156.37137	4.0
163.07533	20.0
163.11185	4.3
181.08659	5.5
225.04106	4.4
254.19191	4.3
305.25198	4.3
445.36813	52.8
463.31638	14.1
463.37692	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	463.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81526	1.8
55.05499	3.1
67.05495	1.9
69.07033	2.4
81.07035	3.8
92.08647	3.0
95.08607	3.9
105.07024	2.2
107.08561	3.2
109.10165	2.4
111.04182	3.7
119.08556	2.1
127.03647	4.2
133.10138	1.9
142.69000	1.7
164.11511	2.3
205.52693	1.7
215.08936	2.4
307.02673	1.7
337.16089	2.2
338.98477	2.0
342.86740	1.7
356.33893	1.9
463.29755	74.3
463.33917	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	463.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32413	1.4
57.79504	1.5
59.24460	1.3
67.05521	2.5
69.07054	1.7
79.05469	1.8
81.07041	2.1
83.08628	2.7
95.08604	3.5
119.08554	1.6
121.10122	1.8
122.10442	1.7
133.10155	1.6
134.17712	1.6
210.19479	1.7
415.23181	2.0
462.42300	2.0
463.33911	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	463.305
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.05502	16.6
57.07071	4.4
59.04974	0.5
61.74454	0.5
67.05196	0.7
67.05494	11.8
69.07050	24.1
71.08628	1.8
71.95005	0.4
79.05476	3.7
81.07037	18.6
83.04955	0.6
83.08599	18.2
84.26208	0.5
85.06479	0.9
85.10173	0.7
91.05460	14.1
93.07016	7.3
95.08587	19.0
97.06499	2.7
97.10146	16.2
99.08034	0.7
99.23013	0.5
102.38461	0.5
103.61079	0.5
105.07001	5.3
107.08595	6.7
109.09460	0.9
109.10135	10.9
109.56500	0.5
111.08067	2.1
111.11706	4.7
115.04886	0.5
119.04919	31.4
119.05824	1.0
119.07953	0.4
119.08561	5.9
121.10111	7.4
123.04396	0.7
123.08063	0.6
123.11682	3.3
125.09616	1.1
125.13248	1.1
133.10104	5.0
135.11655	3.6
137.09592	2.0
137.13269	0.8
141.42220	0.5
147.04387	100.0
147.11658	4.0
149.13234	2.7
151.11157	0.9
161.13202	2.9
163.14787	2.1
165.05444	4.9
165.12698	1.1
175.14796	2.7
177.16209	0.5
179.14369	1.0
189.16357	2.2
221.22533	0.5
245.22606	4.3
263.23663	10.7
281.24695	11.8
284.13934	0.5
299.25650	0.8
319.71405	0.6
356.76855	0.6
463.30899	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82071	0.4
55.05502	10.8
57.03413	0.6
57.07067	3.2
57.29304	0.3
65.03928	0.5
65.52834	0.3
67.05489	8.8
69.07052	15.2
69.94961	0.3
71.04961	0.7
71.08609	1.3
71.19883	0.3
79.05466	3.4
81.07040	13.2
83.04964	0.7
83.08114	0.5
83.08603	12.1
85.06519	0.6
85.10163	0.4
88.22553	0.3
91.05456	8.3
92.09361	0.6
93.07024	6.1
94.33855	0.3
95.04941	0.5
95.08582	12.1
97.06506	2.5
97.10148	9.4
105.07012	3.5
107.08572	5.0
109.06478	0.5
109.10145	6.4
111.08078	0.7
111.11698	3.2
117.03372	0.6
119.04916	23.6
119.08542	2.9
120.76295	0.3
121.10101	4.7
123.04359	0.8
123.08086	0.6
123.11673	2.6
123.12452	0.4
124.44351	0.3
125.09605	0.6
125.13240	0.7
133.10101	3.8
135.11694	3.0
135.73195	0.4
137.09583	0.7
137.13214	0.7
139.11134	0.4
145.02815	2.4
147.04385	100.0
147.11652	2.8
149.13289	2.7
151.11157	0.5
159.11679	0.4
161.13191	2.2
163.14778	1.8
165.05424	12.5
165.12669	0.5
165.16359	0.5
167.14284	0.5
175.14790	0.8
177.05447	3.4
179.14290	0.7
181.15735	0.4
185.15524	0.4
189.16304	0.7
193.15691	0.7
195.06427	0.4
221.22580	0.4
243.89241	0.4
245.22604	4.0
263.23602	6.3
281.24701	7.4
463.31036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03722	1.1
51.36629	1.2
57.03421	2.8
65.98215	1.1
69.03410	10.4
72.89000	1.4
85.02903	12.6
87.04436	8.5
97.02869	3.5
97.44330	1.7
115.03868	6.1
121.06484	1.5
133.04930	8.9
137.05923	1.8
213.33554	1.6
247.93175	1.5
331.13229	1.8
339.45920	1.6
405.13507	3.5
421.86844	1.8
462.16339	6.9
463.11865	100.0
463.17587	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2685
Annotation	Incisagenin
Peak:m/z	Relative Intensity
55.05484	3.5
59.26367	0.4
67.05143	0.8
67.05487	17.1
69.07040	2.4
71.04958	0.6
79.05462	3.4
81.07033	18.3
83.04953	0.5
83.08601	2.5
89.03879	6.3
91.05455	2.7
92.08845	2.6
93.07002	6.0
95.08574	17.8
97.06470	0.6
97.10144	1.0
99.44260	0.6
105.06986	2.1
107.08569	3.5
109.10143	7.4
117.03354	20.7
119.08542	2.1
121.06458	0.5
121.10112	3.5
123.11667	3.2
133.10092	4.4
134.03606	2.6
135.04390	3.2
135.11664	2.8
137.09604	0.8
145.02817	66.9
145.09952	0.6
147.11646	0.6
149.05939	12.1
149.13242	1.3
151.11163	1.2
159.11607	0.8
163.03883	4.8
177.05421	100.0
186.05441	0.6
189.06639	0.7
195.06461	15.7
206.92027	0.5
215.17932	3.9
233.18980	2.2
251.19971	5.7
382.91287	0.6
463.31500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.00309	1.3
54.81469	1.3
55.01849	1.2
55.05503	1.4
57.03423	3.1
57.07062	8.6
64.54335	1.0
67.05519	1.8
69.05341	1.0
69.07047	25.5
71.29988	1.0
71.30392	1.1
79.05486	1.9
81.07035	8.0
81.72220	1.4
83.01331	2.2
91.05482	1.4
92.09060	1.2
93.07013	3.1
95.08571	2.8
105.07011	2.1
107.08567	8.6
109.06516	1.7
109.10143	1.6
114.06619	1.1
119.08570	2.4
121.10124	1.9
123.11676	16.8
131.41426	1.2
133.10129	1.7
135.08037	6.1
135.11700	6.7
137.06018	2.4
145.10109	2.9
150.81743	1.4
151.06352	1.2
153.05421	7.6
155.08539	1.5
163.07500	8.9
163.11217	1.5
165.05438	100.0
165.09045	2.1
176.08266	2.2
177.05371	1.5
177.09071	15.4
191.10617	8.5
201.09059	7.2
217.08632	1.4
219.10130	81.5
221.11685	41.5
237.11168	80.8
269.06174	1.5
287.16354	19.7
305.17432	18.4
341.20694	1.5
343.22543	7.9
359.22046	20.5
371.22244	4.8
372.99319	1.4
377.23035	10.1
427.28308	5.6
463.31699	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	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01877	0.2
55.05492	0.2
57.03421	0.8
63.02343	0.2
64.84079	0.2
67.05476	0.2
69.03418	3.2
69.18417	0.2
71.04965	0.4
81.03393	4.5
81.07049	0.2
83.04999	0.2
85.02884	3.5
86.09687	0.3
87.04446	0.8
89.03893	3.9
89.06007	0.8
91.05466	1.0
93.07028	0.2
97.02875	1.9
98.03169	0.3
99.04410	0.5
103.05446	0.4
105.03336	0.2
105.06991	0.3
107.08549	0.2
109.02854	2.2
115.03898	0.7
117.03349	18.1
119.04897	0.8
120.48784	0.2
121.06470	0.3
125.05878	0.2
127.03912	0.8
131.04903	1.3
133.04930	0.8
134.03586	1.0
135.04379	1.5
145.02818	66.1
146.03133	0.3
147.04395	1.0
148.04668	0.3
149.05951	8.0
150.90012	0.2
153.05449	0.4
162.03082	0.4
163.03920	0.8
167.07057	0.3
177.05421	100.0
178.05739	0.3
186.05284	0.2
193.04930	3.0
195.06584	1.5
208.54282	0.2
321.09528	3.1
339.10657	7.1
396.90619	0.2
461.19717	2.4
462.20078	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	462.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.4
57.07059	8.3
57.56732	4.8
60.28611	4.7
60.79094	5.1
67.05501	34.4
69.03413	8.9
69.07054	38.5
75.17919	5.6
79.05463	41.4
80.48284	6.3
81.07040	57.5
82.44192	5.7
85.06540	7.3
90.74382	5.4
91.05473	26.9
92.08883	29.6
92.09416	5.4
93.07023	86.1
95.08578	99.9
97.10181	7.6
97.69489	5.3
101.78774	5.9
105.07007	52.0
107.08569	100.0
109.06508	10.7
109.10151	52.7
111.08097	7.3
117.07042	6.6
119.04929	8.7
119.08545	44.1
119.10530	5.7
121.10115	77.3
123.11697	12.3
125.09608	9.7
131.08571	7.1
133.10115	43.6
135.11653	77.7
139.75374	7.4
145.10106	28.3
147.04436	25.5
147.11681	25.3
149.13271	12.5
157.81248	7.7
159.11694	29.8
161.13266	27.1
163.14787	37.1
171.11700	12.8
173.13242	12.8
175.14824	7.7
185.13373	7.5
187.14853	25.2
189.16270	6.9
191.17923	10.4
201.16393	37.7
203.17941	24.9
219.17426	23.0
227.18132	10.1
237.18384	50.3
253.07603	5.8
255.21124	13.3
281.22589	10.9
295.24078	7.6
330.92947	6.4
391.33521	7.2
409.34583	50.0
427.35767	71.4
445.36502	32.8
463.30667	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	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00342	0.1
53.03934	0.1
55.01884	0.1
55.05504	0.2
57.03419	0.5
65.03920	0.4
69.03416	0.8
69.07031	0.1
69.71870	0.1
81.03391	0.8
83.04963	0.5
85.02896	0.9
87.04463	0.1
91.05457	6.6
92.08971	0.5
97.02856	0.5
101.06005	1.0
105.50304	0.1
109.02866	0.2
115.03883	0.2
117.03356	0.6
119.04916	26.0
127.03894	0.2
133.04898	0.2
145.02841	2.1
147.04385	100.0
148.04738	0.7
149.05911	0.2
151.03896	0.1
151.07533	0.9
164.22574	0.1
165.05431	1.5
169.84016	0.1
177.03937	0.1
177.05431	2.8
193.04959	0.2
216.48154	0.1
265.10486	0.1
276.89957	0.1
283.11612	0.6
291.08615	0.5
309.09598	2.7
461.19479	0.4
462.19839	0.6
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
53.00302	1.5
53.03936	1.2
54.49483	0.7
55.01873	1.6
55.05485	1.2
57.03428	38.0
59.04997	9.9
60.04508	4.8
61.02921	2.0
65.81063	0.8
68.36462	0.8
69.03414	100.0
73.02885	3.2
75.04456	4.2
79.25934	0.8
81.03408	5.3
83.04980	1.2
85.02889	77.2
86.09708	1.0
87.04450	58.8
88.16135	0.9
91.03944	1.1
91.05460	13.6
97.02866	63.2
99.04461	1.3
100.11253	4.2
103.05450	3.6
107.97993	0.9
109.02846	3.7
110.07153	1.0
115.03906	62.2
119.04913	18.2
127.03906	5.6
131.04893	14.0
133.04935	55.0
137.05974	7.0
143.04942	0.9
144.06557	1.0
145.04976	4.8
150.07588	6.8
151.06287	2.1
151.07516	64.4
159.06461	1.4
159.08026	0.8
159.46138	1.0
161.06047	1.3
163.07428	0.9
175.07509	2.1
177.09006	1.0
179.10672	1.7
180.08611	1.2
187.07559	1.5
187.93999	0.9
188.49617	0.9
259.08142	1.3
277.09106	1.3
282.23090	1.0
293.10187	1.0
295.10205	1.2
357.44659	1.1
418.50107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36240	2.4
53.96371	3.3
54.79546	2.7
54.82014	2.7
55.05504	36.5
56.88971	2.7
57.07065	24.8
65.46765	3.1
67.05483	14.8
69.07054	71.5
71.04974	36.6
71.08607	8.4
79.05466	13.8
81.07029	56.2
83.08604	33.0
91.05511	3.3
92.08649	13.0
92.09270	23.6
93.07005	6.1
95.08592	54.2
97.10155	19.8
99.04451	22.5
105.07002	8.1
107.08603	5.5
109.06502	8.2
109.10136	29.7
111.04436	5.4
111.11691	14.7
119.08604	4.3
121.10130	13.2
123.11684	13.9
125.05965	100.0
127.03896	45.1
135.11659	4.6
137.05956	78.5
137.13150	4.5
145.10138	4.5
145.23653	3.3
149.13275	6.1
151.07507	5.1
157.10208	3.6
159.11670	4.2
161.13168	3.7
165.09035	5.2
167.06961	29.3
177.09102	4.4
179.06886	6.0
182.04504	3.2
186.51572	3.2
205.12192	5.4
324.75711	3.9
425.33978	4.3
443.35098	7.5
461.36252	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	32.7
55.30450	14.4
57.07064	25.8
60.39063	14.6
67.05461	24.8
69.07045	83.4
73.61604	17.0
76.56676	19.0
79.36332	21.9
81.07030	100.0
83.08615	22.7
92.08689	27.9
93.07058	19.0
93.44050	17.9
93.76736	22.8
95.08580	27.4
137.05956	24.9
151.07541	45.6
169.42938	17.7
205.12163	22.1
286.66418	18.2
336.46365	23.5
380.51855	21.6
383.33401	19.7
408.58026	20.4
417.76468	20.1
443.35181	35.4
461.36215	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3623
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
54.64172	2.0
55.01849	2.1
55.05492	16.9
58.80294	1.6
62.12050	1.7
63.37565	1.8
67.05491	19.6
68.84074	2.1
69.03416	3.0
69.07056	20.8
71.29874	1.9
77.29839	2.0
79.05482	15.3
81.07034	33.2
83.04945	7.7
83.08609	9.7
91.05440	16.0
92.08607	3.4
93.07024	50.3
95.04966	4.7
95.08582	59.6
97.06522	3.2
98.43028	2.2
105.07021	35.3
105.55216	1.8
107.08571	70.8
109.06515	11.2
109.10136	46.3
111.08096	3.7
117.07026	2.6
119.08551	71.2
121.10119	50.1
123.08047	9.1
123.11700	9.1
125.09656	4.1
127.07539	2.0
131.08574	13.2
133.10118	37.7
135.08066	3.0
135.11659	38.3
137.09586	10.7
137.13231	3.1
139.11130	2.4
143.08540	12.8
145.10088	27.2
147.11696	23.5
149.09567	3.3
149.13200	11.2
151.11139	17.1
157.10144	12.6
159.11671	33.4
161.09573	2.7
161.13242	44.7
163.14807	9.7
169.09996	3.8
171.11690	13.2
173.13197	21.9
175.11147	3.7
175.14758	21.5
179.14250	34.0
185.13231	10.9
187.14818	21.1
189.12723	3.9
189.16385	8.9
191.17918	4.7
197.15395	8.4
199.14850	12.5
201.16356	36.0
203.17909	31.8
207.13795	2.3
213.16339	8.7
215.17924	8.9
217.15823	16.9
227.17889	12.7
229.19464	4.2
235.16913	8.7
241.19498	3.7
245.18944	2.2
253.17744	15.1
283.24109	3.6
316.28058	2.4
389.31812	8.1
407.32794	8.3
425.34171	100.0
443.35434	26.5
461.36124	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3622
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
50.90405	1.1
51.14237	1.1
55.01868	2.9
55.05504	19.7
55.76120	1.3
57.07063	8.2
58.30160	1.2
67.05491	6.6
69.07045	30.6
71.08620	2.6
71.22353	1.2
79.05482	7.5
81.07028	22.7
83.04961	3.2
83.08602	14.6
86.71923	1.5
87.95617	1.4
89.73072	1.3
91.05456	8.9
92.08610	2.8
92.64210	1.4
93.07015	13.4
95.08577	20.6
97.06479	2.0
97.10149	5.8
104.99229	1.8
105.06996	17.1
107.08575	13.3
109.06501	16.5
109.10130	10.4
113.85110	1.5
119.08540	6.4
121.10118	5.5
123.08035	10.0
123.11700	5.8
125.05968	35.7
131.08566	2.0
133.06445	25.9
133.10045	3.1
135.08044	8.7
135.11707	2.2
137.05949	96.1
139.07509	5.8
147.11711	2.7
149.13203	2.5
151.07510	37.0
159.11623	1.7
161.05966	20.8
161.09575	1.7
165.09038	2.8
167.06976	3.6
175.11092	2.1
179.06987	100.0
184.15730	1.7
187.11229	1.9
195.13873	1.4
203.14314	2.7
216.72067	1.7
277.10458	1.9
343.34338	1.6
397.34753	2.6
415.35510	9.3
425.33932	2.5
433.36725	7.1
443.35098	57.5
461.36261	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	461.3617
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03941	1.6
55.01866	5.8
55.05499	14.8
57.03423	1.8
57.07059	2.8
59.04967	1.0
63.80555	1.0
64.07475	1.1
64.32789	1.0
67.05494	16.7
69.03419	2.6
69.07054	21.7
71.04997	1.2
71.08617	1.3
79.05479	13.9
81.07038	32.9
83.04963	5.3
83.08608	8.0
85.06545	5.4
85.41482	1.1
91.05455	12.6
91.41072	1.2
93.02237	1.2
93.07027	39.2
95.04935	2.7
95.08585	53.7
97.06487	10.1
97.10139	19.8
101.06004	1.8
105.07010	31.1
107.08580	58.5
109.06496	17.6
109.10139	28.1
111.08076	7.7
117.06998	5.0
117.55831	1.1
119.08563	51.1
120.08848	1.9
121.06496	1.5
121.10123	39.1
123.08048	20.5
123.11688	14.5
125.09571	5.4
129.06966	2.0
131.08531	9.8
133.10107	39.0
135.08058	1.7
135.11668	36.1
136.11926	1.4
137.09589	6.0
137.13213	1.5
139.11153	6.3
143.08563	9.4
144.09274	1.5
145.10117	18.9
147.11667	28.3
149.09589	2.5
149.13260	9.2
151.11195	13.3
153.12723	1.5
156.09264	2.1
157.10103	13.8
159.11673	19.8
160.12044	1.2
161.09602	5.7
161.13226	31.0
163.14777	45.0
165.12718	1.4
170.10785	2.1
171.11664	14.1
173.13220	17.3
175.11174	2.2
175.14798	10.9
177.12712	7.1
177.16354	2.0
179.14259	21.1
181.15875	2.6
183.11562	1.6
185.13159	9.0
187.14786	9.6
189.12697	2.9
189.16394	7.4
191.17883	4.7
195.12152	1.5
195.13799	16.4
197.13408	1.3
197.15327	2.2
199.14836	13.0
201.16365	14.2
203.14304	2.6
203.17896	18.4
205.15855	2.5
207.13725	1.5
207.17383	4.6
211.14847	1.7
213.16359	8.5
215.17964	6.7
217.15849	31.8
217.19368	1.2
219.17403	1.2
221.18898	1.4
223.16870	4.4
226.17017	1.5
227.17844	13.7
229.19476	2.2
235.16884	100.0
239.17950	2.0
241.19427	1.9
245.18974	2.7
255.21002	5.4
267.21014	2.5
269.22568	2.8
281.22601	5.0
287.23196	1.4
311.23663	2.5
389.31671	5.1
397.30710	1.3
398.31091	2.2
407.32904	15.9
408.33081	5.2
425.34103	53.2
426.34146	5.8
443.35147	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	461.3626
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
51.64032	7.4
55.05503	51.7
57.07055	50.2
58.47547	5.7
67.05479	45.5
69.07047	75.3
70.61169	6.5
71.08611	18.1
79.05453	10.8
81.07031	100.0
83.01314	16.7
83.08585	50.2
91.05441	14.0
93.07009	30.3
95.08588	77.9
97.02817	8.4
97.10149	33.3
105.07009	14.8
107.08582	32.9
109.06470	15.3
109.10150	55.0
119.08561	14.8
121.06503	9.8
121.10143	13.0
123.08069	11.1
123.11690	30.6
131.08501	53.8
133.06462	9.8
133.10091	13.0
134.96149	7.3
135.08022	12.0
135.11674	15.1
137.05913	46.5
137.13245	12.6
145.10074	17.1
149.05951	14.9
151.07544	81.6
157.10101	8.5
159.07930	12.3
163.07341	8.0
165.09068	32.6
170.49782	7.9
175.07530	10.1
175.11107	9.6
177.09082	61.0
191.10612	17.0
203.10695	8.3
205.12140	9.7
213.24657	7.1
225.85236	7.1
244.18365	7.4
263.27280	14.2
275.20041	7.9
290.42310	8.2
401.34232	16.1
425.33905	7.7
443.34970	86.2
461.36337	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46263	0.3
55.05493	1.7
55.22817	0.4
65.88149	0.4
67.05476	2.2
69.07040	2.5
79.05463	0.9
81.07030	2.6
82.07349	0.4
83.08634	0.5
83.86993	0.4
87.96222	0.6
91.05457	0.8
93.06999	2.8
94.07349	0.5
95.08588	5.2
96.08935	0.7
105.06999	3.4
106.07346	0.4
107.08585	4.1
109.06482	0.8
109.10149	2.1
119.08574	3.4
121.09377	0.4
121.10136	3.6
123.08003	0.4
123.11746	0.6
129.06905	0.5
131.08528	1.0
133.10074	2.6
135.08029	0.5
135.11653	2.3
137.09546	0.5
145.10117	1.7
147.11630	0.8
159.11717	0.9
161.13240	0.7
163.14746	0.7
173.13214	0.7
185.13310	0.5
187.14864	0.7
189.16420	0.7
191.17845	0.5
201.16335	1.7
207.17484	0.7
217.16005	0.5
278.35611	0.4
443.31125	1.6
461.30157	100.0
462.30280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.9
57.07057	4.9
59.54158	2.6
60.28923	2.3
61.58507	3.1
62.94962	2.4
67.05483	4.6
69.07040	7.1
79.05476	3.7
81.07018	18.1
83.08600	4.3
91.05399	3.9
93.07047	4.2
94.60765	2.5
95.08563	12.3
97.10148	4.0
104.99227	4.1
105.07005	3.6
107.08537	6.5
109.10125	4.2
119.08559	4.4
121.10098	5.4
133.01303	2.9
135.07996	3.5
135.11726	3.9
137.05904	13.2
139.07520	4.5
142.81584	3.0
145.10077	2.9
151.07507	4.6
165.09061	5.6
179.06953	6.5
351.22989	2.9
443.34750	6.0
461.32098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3257
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
50.92086	0.5
55.05490	0.9
57.03427	4.2
57.07067	6.8
59.04988	17.8
64.33746	0.7
65.03900	1.0
67.05490	28.2
69.03410	11.8
69.07059	1.5
71.04980	21.0
71.63042	0.6
72.27805	0.7
79.05475	8.3
81.07036	11.3
83.04949	2.7
83.08576	1.2
83.59818	0.7
85.06526	33.0
87.04444	8.5
91.05477	4.8
93.07037	7.3
95.04945	38.5
95.08579	10.1
97.06480	0.8
101.05988	2.9
105.07018	6.4
107.08568	19.6
109.10132	3.0
113.05984	100.0
117.06981	1.5
119.08566	7.0
121.10115	4.5
131.08533	5.8
133.10095	5.5
135.11658	3.8
137.91626	0.7
143.08551	3.2
145.08574	25.1
145.10089	14.7
147.11642	6.9
149.13171	1.1
157.10118	4.3
159.11633	6.3
161.13217	4.5
165.12718	3.0
169.10059	1.2
171.11687	2.8
173.13251	3.3
175.14813	0.8
185.13211	2.5
187.14743	5.2
197.13190	2.9
199.14790	4.7
199.68594	0.7
201.16299	1.0
205.15883	2.4
211.14737	1.3
225.16327	3.1
235.87433	0.8
253.19405	14.2
255.21001	1.0
271.20474	1.4
281.22580	32.2
299.23648	17.0
317.24716	4.5
337.99823	0.8
415.28250	4.5
443.31323	2.9
461.30029	1.1
475.44260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.6
59.09349	1.2
67.05482	5.9
69.07047	2.7
79.05463	2.1
81.07028	4.6
83.08591	1.3
91.05452	2.2
93.07000	8.0
95.04900	1.8
95.08586	7.6
105.07018	6.1
107.08607	7.9
109.10135	6.3
119.08548	8.3
121.10121	5.7
123.11699	1.9
131.08531	2.7
133.10117	6.0
135.11633	5.3
143.08554	1.5
145.10121	4.0
147.11713	1.3
157.10141	1.6
159.11679	2.2
161.05983	1.2
161.13213	4.5
173.13239	2.0
189.16374	1.3
203.17831	1.2
213.16377	1.3
225.16269	1.3
226.09505	2.2
239.10312	14.8
292.14197	1.2
367.42947	1.2
372.80792	1.1
388.49640	1.2
431.25668	9.2
445.27194	1.2
446.27829	34.9
461.30170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99763	0.1
55.05508	1.6
55.64939	0.1
57.07077	0.2
58.82513	0.1
59.05023	0.2
65.03928	0.7
67.05495	2.5
67.43252	0.1
69.07057	2.1
79.05478	1.1
81.07037	3.5
83.08603	0.3
85.06532	0.4
87.55814	0.1
88.29955	0.1
88.97856	0.2
91.05463	12.7
91.92739	0.2
93.07036	1.2
95.08594	3.4
97.10159	0.6
98.24203	0.2
105.06986	0.4
106.67992	0.2
107.04980	0.2
107.08579	1.4
109.06487	0.2
109.10142	2.4
119.04924	35.0
119.08546	1.1
120.08748	0.2
121.10128	1.1
121.67815	0.2
123.11691	0.4
126.71682	0.2
131.08533	0.3
133.10109	0.4
135.08051	0.3
135.11644	0.3
137.09560	1.0
145.10112	0.2
147.04395	100.0
148.04727	0.4
149.09595	0.8
149.13306	0.3
159.11694	0.3
161.13277	0.2
163.11142	0.3
163.14735	0.2
165.05450	0.8
165.09085	6.4
173.13205	0.2
175.11145	0.2
177.09084	0.2
189.09145	0.2
191.10652	0.8
203.10640	0.3
205.12204	0.8
215.72565	0.2
229.11978	0.2
279.23154	0.7
297.24060	0.2
324.17572	0.2
352.95352	0.2
443.34991	0.7
461.28510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
54.78731	0.2
55.05510	2.1
57.07058	0.6
57.45922	0.2
65.03922	1.1
67.05492	3.4
69.07056	2.5
71.04984	0.3
79.05501	1.8
81.07043	7.2
82.07355	0.3
83.08597	1.3
85.06526	0.3
89.33236	0.3
91.05463	15.1
93.07030	5.4
95.04943	0.3
95.08591	8.8
96.06003	0.2
96.08916	0.5
97.06502	0.4
97.10127	1.0
105.07030	3.2
106.07342	0.3
107.08582	5.8
108.08940	0.6
109.06502	0.6
109.10133	4.1
111.08062	0.4
117.07028	0.3
119.04926	37.5
119.08558	4.1
120.08857	0.3
121.10133	4.9
122.10456	0.4
123.08083	0.4
123.11722	2.2
125.09589	0.5
131.08542	1.0
133.06433	0.4
133.10117	3.3
134.07384	0.2
134.10445	0.5
135.07945	0.3
135.11678	4.2
136.12033	0.4
137.09575	0.3
137.13223	1.2
139.11119	0.3
145.10117	1.2
147.04395	100.0
147.11595	2.4
148.04729	0.5
148.11964	0.4
149.13245	2.0
151.11163	0.3
159.04425	0.3
159.11667	1.5
160.12053	0.4
161.13257	2.0
163.14809	1.6
164.15190	0.3
165.09119	0.2
173.13220	0.5
175.14771	1.2
179.14268	0.4
185.13155	1.2
187.14832	1.3
189.16342	2.7
190.16663	1.1
191.18005	1.0
192.14577	0.3
201.16386	0.4
203.14363	1.7
203.17917	0.5
207.17358	2.0
213.16380	0.3
217.19540	0.5
279.23065	0.6
371.33008	0.9
401.34131	0.4
407.33127	0.4
408.33212	0.4
414.34348	2.6
415.34488	1.8
425.26898	0.4
425.33884	1.8
426.34348	1.0
443.27887	0.5
443.34857	1.6
444.35492	1.2
450.19659	0.3
460.35071	0.3
461.29065	1.5
461.39645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13024	0.3
54.81657	0.4
55.01859	0.5
55.05262	0.5
55.05505	7.6
57.03401	0.3
57.07052	0.7
65.03885	0.4
65.68181	0.3
67.05138	0.8
67.05487	18.9
69.07056	9.1
71.04589	0.4
71.04971	1.5
79.05474	7.3
81.07037	24.6
83.08606	8.4
85.06522	0.5
91.03969	0.4
91.05460	12.5
92.05791	0.4
93.07026	13.0
94.07322	0.4
95.04943	1.5
95.08580	24.3
96.08923	0.9
97.06514	2.4
97.10147	2.3
100.04853	0.4
105.07008	5.1
107.08567	11.0
108.08884	0.4
109.06501	1.8
109.10141	11.7
110.10496	0.9
111.08048	2.3
111.11697	0.5
118.61587	0.4
119.04914	25.8
119.08555	8.3
120.08868	0.5
121.06494	0.6
121.10120	15.1
122.10433	0.4
123.07998	0.7
123.11652	4.7
125.09660	0.6
131.08556	1.8
132.08974	0.5
133.10091	5.7
134.10410	0.7
135.08089	0.4
135.11661	8.7
137.09604	0.9
137.13242	3.3
139.11137	0.5
145.10072	2.9
147.04387	100.0
147.11690	5.0
149.13211	2.7
151.14790	0.4
159.11665	2.0
161.13199	3.2
162.13570	0.6
163.14772	2.2
165.05444	14.3
165.09065	0.7
165.12727	1.8
171.11719	0.6
173.13173	0.8
175.14804	1.7
178.43648	0.5
179.14299	1.7
185.13150	0.6
189.16402	2.1
191.17883	0.5
197.13348	0.4
201.16312	0.9
203.14294	0.8
203.17932	0.8
205.15865	0.7
207.17390	2.4
213.16348	0.6
217.19492	0.5
223.16852	0.7
243.20976	1.9
245.05284	0.5
261.22073	3.7
268.70404	0.5
279.23132	15.1
280.23596	0.9
338.80347	0.4
389.30472	0.5
407.32275	1.7
408.31934	0.7
425.33777	1.9
426.34375	0.7
443.34937	2.7
461.28873	0.9
461.36218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81567	0.2
53.03923	0.4
55.01842	0.2
57.03434	0.2
65.03922	0.3
66.14637	0.2
69.03409	2.0
81.03406	3.1
82.20050	0.2
85.02880	2.0
86.09690	0.3
91.05465	6.8
92.08907	0.2
97.02868	0.6
99.04411	0.3
109.02866	0.9
119.04916	25.7
127.03872	0.4
130.54993	0.2
135.04390	0.8
145.02832	0.7
147.04390	100.0
148.04716	0.8
157.50372	0.2
159.08069	0.2
163.03870	4.2
164.17322	0.2
165.05426	2.3
167.07033	0.2
174.99905	0.2
181.04967	0.2
184.95531	0.2
240.86630	0.2
259.55624	0.2
291.08530	1.6
309.09631	3.1
342.10245	0.2
461.20084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.4
55.05497	5.1
57.03425	5.1
67.05495	8.6
69.03400	6.3
69.07063	4.9
71.67532	1.3
79.05477	3.0
81.07041	23.9
83.04939	2.0
83.08593	1.3
85.02881	7.0
87.04432	2.8
88.49249	1.2
91.05467	8.5
91.86990	1.3
92.08967	1.6
93.07030	9.3
94.94982	1.2
95.04948	1.8
95.08597	11.7
96.75473	1.2
97.02880	5.7
97.06507	6.6
100.11256	1.3
105.07001	17.5
107.04963	2.4
107.08605	9.3
108.09003	1.2
109.06516	2.6
109.10125	12.2
115.05453	1.4
117.07010	4.9
118.06452	1.2
119.08555	20.6
121.06499	2.4
121.10136	5.5
123.08041	1.8
123.11706	2.3
131.08530	20.2
133.06508	1.3
133.10095	20.5
135.08028	22.7
135.11639	2.8
137.09550	10.4
139.70482	1.3
142.00856	1.2
143.08549	13.8
145.06404	2.0
145.10088	11.3
147.08044	5.4
147.11668	14.5
151.11125	1.3
155.08551	7.4
157.10052	10.3
159.08003	17.6
159.11710	3.1
161.09589	15.9
165.09058	6.5
167.08496	3.1
169.10158	9.9
171.07994	7.4
171.11679	7.1
173.09593	20.5
175.11122	7.2
179.08473	2.2
180.09232	1.8
181.10121	6.6
183.11670	6.6
185.09561	2.8
187.11111	4.9
193.10146	4.5
194.10954	1.8
195.11717	8.5
197.09601	2.6
197.13185	2.6
199.11154	3.1
205.10135	2.9
207.11600	5.2
209.09697	2.1
209.13228	6.6
211.11131	5.7
211.14780	2.3
213.12654	2.7
219.11662	38.6
219.13655	2.3
221.13252	2.3
223.11119	5.6
223.14795	8.4
225.12737	7.2
225.16275	1.7
227.10710	1.4
229.12244	2.4
231.11639	1.7
232.12439	1.8
233.13174	2.5
235.14761	3.2
237.12711	9.7
239.14259	1.8
241.12329	1.6
245.13235	1.7
246.13936	1.7
249.12660	6.3
249.16362	2.5
251.17885	5.7
253.15900	5.8
260.15491	6.2
264.15128	3.0
265.15744	1.5
265.19449	4.8
267.17401	5.5
269.18875	2.7
275.17850	13.9
278.16663	18.6
293.15451	1.7
293.15973	1.5
293.18906	99.6
311.19955	100.0
329.21021	82.7
425.22946	1.7
443.24384	1.7
461.25079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10722	0.3
51.16925	0.3
58.35111	0.3
60.04536	0.3
60.26810	0.3
62.34862	0.3
63.02370	0.4
69.03431	2.0
70.06583	2.5
72.08131	0.5
81.03403	4.8
81.28922	0.3
82.26749	0.3
85.02882	2.8
86.09699	2.1
89.03886	6.2
91.04950	0.3
91.05479	0.4
97.02885	0.7
103.37748	0.4
104.54243	0.3
109.02849	1.6
114.38085	0.4
117.03362	26.1
119.04915	0.6
127.03904	0.4
133.06541	0.4
134.03621	2.4
135.04401	2.1
141.12383	0.4
145.02831	74.5
146.05989	0.8
147.04398	3.5
149.05957	12.0
163.03873	0.8
171.81638	0.5
173.13031	0.5
177.05434	100.0
178.05814	0.8
195.06644	0.7
294.31247	0.3
312.44766	0.4
321.09564	4.3
339.10828	3.4
461.19461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	5.3
55.05496	27.5
57.07062	9.8
67.05489	52.4
68.94427	4.7
69.07049	58.2
76.72787	5.2
79.05465	24.8
81.07047	90.1
83.08604	12.1
91.05467	26.3
92.09141	25.6
93.07035	82.1
93.30117	6.2
95.08576	100.0
105.06998	45.0
107.08572	91.7
109.10151	81.6
119.08553	30.9
121.10123	44.9
123.11665	10.9
133.10088	22.6
135.11646	49.9
137.13266	7.6
145.10109	9.7
149.13283	6.2
153.12749	5.5
159.11623	6.5
161.13281	11.4
191.17896	9.3
203.17828	6.7
209.68593	6.4
230.92056	7.1
253.99072	5.6
333.82910	6.2
349.84888	6.2
401.88745	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	461.1627
Annotation	N-(2-phenylethyl)-Indomethacin amide
Peak:m/z	Relative Intensity
54.81636	0.3
57.03419	0.3
69.03416	0.6
72.83156	0.3
85.02898	0.4
97.02908	0.6
115.63045	0.3
137.05972	0.4
145.02795	0.5
167.06979	0.5
175.69957	0.3
177.05406	0.4
258.58221	0.3
275.07397	1.7
317.08389	0.7
329.12210	1.5
335.09460	16.7
417.17325	0.4
461.16226	100.0
462.16837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1627
Annotation	N-(2-phenylethyl)-Indomethacin amide
Peak:m/z	Relative Intensity
57.28536	0.3
69.03413	0.4
91.11058	0.3
92.08835	0.8
105.89568	0.3
137.05952	5.6
141.83023	0.3
178.55052	0.4
284.25354	0.3
317.08389	1.6
329.12097	2.4
331.23199	0.4
335.09622	0.6
363.93124	0.4
390.24594	0.4
461.16211	100.0
462.16434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.3
55.33544	2.8
57.03418	3.7
57.07069	6.2
59.04971	3.7
64.14037	2.7
67.05498	99.9
69.03393	3.1
69.07056	39.5
79.05478	25.4
81.07043	74.3
83.04959	3.9
83.08588	30.9
85.06535	5.2
91.05447	31.7
91.78564	3.0
92.09267	4.0
93.07024	64.1
93.07564	4.3
95.08001	5.1
95.08585	100.0
96.08921	5.3
97.06501	16.9
97.10143	6.4
105.07015	37.8
106.07357	3.4
107.08595	75.3
108.08946	6.6
109.06541	4.4
109.10151	95.6
111.08056	7.0
113.09637	3.2
119.08566	78.4
120.08929	4.3
121.10129	67.1
123.08044	23.3
123.11688	23.4
125.09571	4.5
131.08556	13.5
133.10118	41.6
134.10449	3.9
135.08081	4.3
135.11679	53.6
137.09554	10.3
139.11111	4.5
143.08566	7.2
145.10075	22.8
147.04448	15.9
147.11691	43.4
149.09615	5.8
149.13231	17.2
151.11127	3.9
157.10118	15.5
159.11653	16.9
161.13258	27.3
163.11285	4.6
163.14796	12.3
163.85478	3.0
171.11633	5.5
173.10303	2.8
173.11720	22.5
173.13229	16.8
175.14731	21.0
177.12721	4.6
177.16408	5.0
185.13242	17.5
187.14816	20.4
189.12659	6.3
189.16362	18.3
191.14368	5.3
191.17952	22.2
192.18327	3.4
199.14810	6.8
201.16460	4.0
203.14284	14.6
203.17947	5.6
207.17439	6.2
217.15903	5.7
217.19621	3.1
227.17767	4.2
231.21080	3.8
235.20459	5.2
240.60191	3.1
249.18492	3.2
253.08864	3.3
313.25229	7.2
389.30603	5.8
407.31778	55.1
425.34250	55.8
443.35226	32.9
460.35303	14.5
461.36929	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	460.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	18.5
57.03416	2.5
57.07069	5.2
59.58698	2.6
66.21618	2.6
67.05498	39.6
68.05840	2.7
69.07054	33.3
71.04964	4.5
72.91557	2.6
79.05464	24.4
81.07045	65.9
83.08600	21.0
85.06512	6.0
91.05454	26.3
92.08614	5.5
93.07027	52.6
93.88245	2.7
94.07343	3.4
95.08591	100.0
96.08926	5.9
97.06487	11.2
97.10115	11.1
98.35651	3.2
105.07008	52.0
107.08575	81.2
109.06498	5.7
109.10155	56.3
111.08075	17.8
117.06987	6.2
119.04868	9.6
119.08569	97.0
121.10127	63.0
122.10444	4.9
123.08060	5.4
123.11711	25.6
129.06989	4.2
131.08553	19.0
133.10114	67.8
135.07982	4.4
135.11667	45.7
137.09633	4.6
137.13235	3.7
139.11197	4.9
143.08530	14.6
145.10101	31.1
147.04395	41.6
147.08060	3.8
147.11658	49.9
149.13281	17.8
151.11168	4.9
157.10110	13.9
159.11688	29.7
161.09647	3.5
161.13289	25.4
163.14804	17.8
165.12682	3.7
171.11659	12.2
173.13219	17.1
175.11174	3.9
175.14784	23.6
176.15172	3.8
177.12758	4.8
177.16357	4.4
185.13246	25.2
187.14789	24.5
189.12677	4.0
189.16336	40.4
191.14249	4.6
191.17915	14.4
197.13205	3.9
199.14870	6.5
201.16376	5.5
203.14278	27.9
203.17929	26.5
204.18271	3.6
205.15814	31.2
207.17383	42.2
213.16307	5.0
215.17833	4.7
217.15788	16.0
227.17801	4.0
245.18704	3.3
389.31625	14.6
407.33099	43.2
425.34305	60.9
442.33215	3.4
460.34528	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	460.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.0
55.51483	1.8
57.07064	9.6
67.05491	25.1
69.07056	40.6
72.00004	2.0
73.78625	2.0
79.05481	13.8
80.33781	2.1
81.07028	37.9
82.07362	2.2
83.04960	2.1
83.08607	11.5
85.06544	3.8
91.05435	16.5
92.09296	2.3
93.07013	42.5
95.04919	2.7
95.08589	69.9
97.06517	12.8
97.10138	9.0
105.07011	47.8
106.07339	2.2
107.08577	66.7
109.06516	2.6
109.10146	42.3
111.08066	11.1
117.07024	9.0
119.08560	72.2
120.08909	2.3
121.06497	2.7
121.10127	46.6
123.08053	3.4
123.11678	21.7
131.08549	22.4
133.06468	4.9
133.10114	66.2
134.10472	2.4
134.29926	2.2
135.08076	3.1
135.11670	60.1
137.09593	4.0
137.13219	2.3
143.08549	11.6
145.10101	32.5
147.08060	14.7
147.11668	44.1
149.09605	3.7
149.13255	15.4
151.11095	3.2
153.12793	2.4
155.08521	2.2
157.10124	12.0
159.11658	26.8
161.09628	4.8
161.13199	27.8
163.11171	3.3
163.14781	21.3
165.12717	2.3
171.11688	9.9
173.13138	15.4
175.11232	3.1
175.14809	22.9
177.16385	9.0
185.13264	10.9
187.14798	17.8
189.12740	4.9
189.16362	46.1
191.14313	8.4
191.17957	13.6
197.13135	3.2
199.14851	8.6
201.16325	17.0
203.14307	33.1
203.17990	19.6
205.15833	25.8
207.17410	42.4
213.16364	7.6
215.17882	3.6
217.15862	18.7
220.41341	2.0
223.14836	2.4
227.17813	2.5
229.15750	2.7
231.17485	3.6
243.17505	3.6
243.20955	2.8
245.18842	3.8
253.19414	2.7
255.21016	2.7
271.20578	13.9
273.22183	2.6
311.23773	2.2
343.66440	2.2
389.31970	10.6
407.33020	100.0
425.34137	64.8
460.34543	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	460.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.5
55.05502	18.5
57.07067	2.3
64.48040	1.6
67.05489	20.3
69.07045	26.3
71.04967	2.4
79.05461	21.8
81.07037	60.8
83.04967	3.0
83.08595	15.2
85.06519	2.3
91.05454	19.9
92.08672	8.0
93.07021	45.1
95.04947	3.9
95.08586	78.1
95.09195	3.8
97.06534	3.7
97.10126	15.7
99.04403	2.5
105.07011	73.4
107.04951	3.2
107.08573	80.5
108.08913	2.0
109.06506	15.6
109.10133	39.6
111.08054	9.6
117.07025	1.7
119.04909	11.6
119.07700	3.5
119.08556	99.3
120.08894	2.1
121.06503	2.3
121.10121	52.5
122.10400	3.2
123.08077	4.4
123.11662	16.8
125.05944	2.2
125.09558	2.2
131.08553	14.4
133.06485	4.7
133.10103	67.8
135.08025	7.1
135.11662	81.9
137.09624	7.5
137.13248	3.3
139.07593	1.9
139.11073	2.1
143.08528	9.2
145.10097	25.8
147.04391	21.1
147.08040	11.2
147.11642	51.1
149.09601	9.0
149.13219	23.0
151.11179	7.6
153.12700	2.7
157.10124	18.4
159.11656	23.0
161.09579	8.0
161.13245	27.2
163.11168	4.3
163.14816	14.6
165.12701	4.1
169.10136	3.6
170.10916	2.2
171.11685	11.4
173.13191	15.7
175.11148	7.8
175.14801	40.3
177.16325	4.3
179.14278	2.4
183.11685	4.6
185.13188	31.1
187.14804	21.6
189.16336	81.1
191.17899	9.6
193.38147	1.8
197.13211	3.0
199.14842	8.9
201.16359	3.6
203.14272	100.0
203.16107	3.6
204.73633	2.3
205.15804	3.6
207.17401	79.8
208.26518	1.9
211.14888	2.6
213.16402	7.4
215.17966	13.4
217.15936	2.9
219.17311	2.1
221.15277	15.2
227.17928	8.6
229.19287	2.4
231.17404	2.4
239.17816	2.2
241.19351	3.0
245.19067	2.7
249.18436	2.3
253.19388	7.3
267.21024	2.8
267.58133	2.0
271.20520	2.5
282.76691	2.0
285.22055	3.6
350.76007	2.1
389.31845	3.4
407.32971	27.5
425.34079	87.0
443.35132	96.9
443.41290	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	460.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.8
56.64893	1.5
57.07063	6.9
67.05492	18.5
69.07053	41.4
69.84724	1.5
72.26183	1.6
76.84212	1.4
79.05473	11.7
79.11389	1.5
80.12225	1.6
81.07036	39.1
83.08604	8.9
90.57181	1.7
91.02821	1.7
91.05450	13.4
92.08616	1.7
92.46722	1.7
93.07030	34.9
93.79545	1.7
94.07367	2.4
95.08586	72.4
96.12048	1.8
97.06501	7.5
97.10138	7.9
100.75791	1.9
105.07023	42.2
107.08578	59.0
108.08920	2.6
109.06552	3.2
109.10146	30.8
111.08070	7.7
113.09564	2.0
117.07017	2.5
119.08553	69.4
120.08904	2.5
121.06459	1.8
121.10128	45.2
122.10416	1.9
123.08043	3.4
123.11669	16.4
125.09568	2.0
127.76028	1.7
129.07001	2.5
131.08556	11.8
133.06482	7.3
133.10110	52.5
135.08041	7.2
135.11674	47.8
137.13234	2.0
143.08563	8.6
145.10103	20.3
145.91734	2.0
147.08028	12.5
147.11650	36.4
149.09608	2.9
149.13228	17.2
151.11179	3.9
157.10103	12.6
159.11638	22.5
161.09610	4.2
161.13214	24.4
163.14752	19.5
165.12689	1.9
169.10216	1.8
171.11646	3.2
173.13205	15.1
175.11186	2.2
175.14775	22.2
177.12732	7.1
177.16353	4.0
183.11555	3.0
185.13260	7.6
187.14742	13.5
189.12831	2.7
189.16347	51.3
191.14279	3.9
191.17899	19.4
192.18321	2.0
197.13223	3.9
199.14758	9.2
201.16403	16.5
203.14233	29.2
203.17862	18.3
205.15833	22.1
207.17418	49.0
211.14726	2.1
213.16408	5.8
215.17992	10.5
217.15843	25.7
217.19458	3.1
219.17305	2.1
227.17906	3.9
231.17445	3.2
243.17380	2.7
245.18953	4.1
253.19426	2.7
271.20566	11.9
282.97629	2.2
285.21964	1.9
304.69894	2.2
389.31882	9.8
407.33014	100.0
425.28326	3.4
425.34061	76.9
443.34952	3.4
460.34091	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	460.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.95542	0.9
55.05502	12.1
57.03421	13.7
57.07068	7.3
59.04988	27.3
60.76892	0.9
61.02900	4.9
62.25347	0.7
67.05492	12.5
67.09460	0.8
69.03416	36.8
69.07030	1.2
71.04977	14.6
71.63412	0.8
72.08130	1.1
73.02895	3.5
75.04444	3.5
81.03386	6.2
83.04960	19.9
85.02885	36.0
85.06525	28.4
85.35294	0.8
87.04454	14.8
89.05984	1.2
95.04939	19.9
97.02262	1.3
97.02867	32.7
99.04440	5.1
101.06000	8.7
102.20616	1.0
103.07558	100.0
105.05468	1.7
109.02895	7.7
113.05988	35.3
115.03901	12.4
119.07056	1.1
127.03892	21.1
131.07011	64.9
131.08003	2.1
133.04947	6.9
145.04922	13.3
145.07622	1.1
149.08066	77.1
152.05675	0.9
166.07164	9.7
166.11537	0.9
169.38962	0.9
187.05975	3.6
205.07039	1.8
209.07953	1.0
227.09129	2.2
245.10187	15.8
249.09882	1.0
263.11090	9.1
287.61990	0.9
293.12219	1.3
429.01785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76099	0.9
53.03931	6.0
54.76564	1.0
55.01857	6.4
55.05505	44.7
57.03431	11.5
59.04990	65.5
61.02916	9.8
66.59011	1.1
69.03417	60.0
71.04973	7.6
71.05341	0.9
73.02905	2.5
73.13116	1.0
74.06067	1.1
81.03403	32.1
83.04465	2.7
83.04966	74.0
85.02890	100.0
87.04456	4.2
95.04932	1.4
97.02871	69.2
97.06493	1.2
98.05465	1.1
99.04437	14.9
101.02344	1.8
101.06001	64.0
103.07574	4.8
109.02860	33.5
111.04417	1.1
115.03909	2.7
117.05459	4.8
119.07026	27.2
127.03892	67.8
131.06987	2.0
133.04988	1.5
145.04947	45.5
149.08093	2.5
187.06007	4.5
204.20110	1.2
205.07063	4.7
227.09091	19.3
238.92876	1.1
245.10150	63.2
251.71452	1.1
263.11194	50.6
281.12253	2.6
288.65726	1.3
429.74890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.3
54.34594	0.3
55.05503	0.3
55.26277	0.2
57.03433	11.7
59.04993	19.7
61.02911	0.4
64.23847	0.3
67.92886	0.3
68.86055	0.3
69.03419	31.9
71.01338	0.6
73.02897	0.7
73.06541	100.0
75.04476	1.3
81.03413	1.4
85.02894	21.8
87.04455	19.7
95.04935	0.5
97.02875	23.7
99.04437	0.5
110.15185	0.3
110.80785	0.3
114.37871	0.3
115.03912	20.3
117.09091	2.6
120.08047	0.4
127.03912	2.7
131.04901	2.7
131.10658	6.6
133.04947	15.5
135.05765	0.4
138.06793	0.4
139.03883	0.5
140.41045	0.3
145.04985	2.0
148.07535	3.8
149.05965	4.3
149.11720	39.4
163.03783	0.3
169.05032	0.5
181.04881	0.4
241.06915	0.4
259.08145	1.4
277.09421	0.5
295.10458	0.7
347.78943	0.4
376.43109	0.4
382.77118	0.4
394.86859	0.4
395.04013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55813	1.7
55.05494	15.3
57.07055	10.9
58.27446	2.1
67.05486	32.1
69.07049	23.2
69.08717	1.9
71.08613	3.9
79.05466	22.7
81.07027	77.5
82.07354	2.6
83.04957	3.0
83.08605	11.6
85.06491	4.5
91.05444	19.5
93.07011	77.8
95.08577	100.0
96.08911	3.8
97.06506	10.3
97.10127	4.6
97.92421	2.1
99.08102	3.1
105.07004	69.4
107.08566	96.6
108.08836	2.5
109.10131	58.0
110.10530	3.4
111.08045	5.4
117.06997	3.8
119.08543	90.7
120.08867	3.7
121.06483	2.7
121.10104	73.2
122.10471	3.3
123.08054	10.1
123.11681	32.0
125.09588	2.8
129.06963	2.6
131.08521	20.6
133.10080	65.6
133.11006	3.0
135.11639	63.1
136.11900	3.0
137.09572	4.5
137.13187	10.2
142.07770	2.4
143.08519	12.8
145.10107	48.1
147.04399	12.7
147.11650	49.5
149.09584	3.0
149.13232	25.1
151.11171	5.4
157.10069	28.7
159.11653	54.5
161.13200	58.9
163.14790	21.9
171.11641	20.1
173.13191	38.4
175.14778	40.6
176.15030	2.7
177.12680	5.4
177.16319	9.7
179.14278	10.6
183.11610	3.0
185.13176	18.2
187.14726	22.6
189.12738	3.3
189.16335	25.4
191.14294	10.5
191.17894	31.3
197.13231	2.7
199.11035	2.8
199.14778	12.5
201.12674	10.8
201.16289	15.3
202.16632	2.9
203.14198	5.6
203.17918	28.6
205.15834	2.4
205.19595	2.6
207.17401	15.0
211.14709	2.6
213.16289	8.7
215.14267	9.1
215.17857	18.0
217.15828	21.6
217.19453	9.9
225.16286	2.4
225.81432	2.4
227.17865	9.5
229.19489	4.3
231.17491	4.5
273.21887	3.3
285.21912	3.1
363.30832	3.0
383.29794	5.7
383.32977	33.7
407.33096	48.9
414.34055	3.1
418.21109	2.7
425.34055	60.7
439.47336	2.7
442.38583	3.2
443.29520	3.7
443.35132	71.1
460.36139	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	460.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
53.03937	0.7
54.10504	0.3
55.01883	0.4
55.05495	0.6
55.91439	0.4
56.20037	0.4
57.03431	8.4
58.21178	0.4
59.04980	2.2
61.02903	1.1
69.03416	26.3
69.07050	0.9
70.06577	5.5
71.04955	1.2
72.08134	1.1
73.02893	2.8
75.04455	2.7
81.03401	5.4
84.08164	0.7
85.02890	22.9
86.09683	3.9
87.04449	10.2
87.10011	0.4
91.05475	4.2
92.08736	0.6
92.99546	0.5
93.06998	0.7
97.02870	16.4
99.04443	3.1
105.07026	0.5
109.02866	2.3
111.08107	0.5
111.11704	0.6
115.03909	8.0
117.03335	0.5
118.06549	0.4
119.04915	13.7
124.07551	0.6
125.05947	0.8
127.03883	3.1
130.13135	0.5
133.04967	5.5
145.02820	0.9
145.04942	2.5
146.06035	0.7
147.03203	1.3
147.04393	74.5
148.02141	100.0
149.06039	0.5
151.03899	2.3
163.03780	0.6
165.05437	2.5
166.03192	93.6
167.06940	0.6
177.05484	1.1
179.06973	0.6
181.04929	0.5
197.08067	1.0
268.59848	0.6
289.16351	0.6
291.08594	1.9
309.09521	4.0
328.08386	14.3
459.16644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.0
54.81525	1.6
55.01863	2.1
55.05503	14.3
57.03426	4.8
59.04990	84.8
61.02906	7.9
65.61474	1.1
67.05491	1.9
69.03413	44.3
69.07053	2.0
70.06582	9.5
71.04977	7.1
72.52480	1.1
73.02893	8.0
75.97636	1.0
79.05470	1.4
81.03402	40.6
81.07038	3.0
83.04967	25.0
85.02892	88.2
86.09706	2.2
87.04453	80.0
89.03889	2.3
91.03954	1.4
91.05475	4.8
92.08974	7.6
93.07030	2.9
95.04957	2.3
95.08576	1.4
97.02870	100.0
99.04425	12.2
101.06030	8.8
103.03908	1.9
103.05533	1.2
105.03366	8.3
105.05490	38.7
105.07003	2.2
107.04944	1.6
107.08613	1.9
108.04443	1.1
109.02865	29.8
109.10178	1.5
113.05973	1.4
115.03932	2.2
117.03371	12.4
117.05482	1.9
119.07024	2.5
119.08543	2.2
124.07514	1.7
127.02956	2.6
127.03890	62.8
131.04913	6.9
131.08495	1.7
133.10138	2.0
135.04399	6.1
136.07567	5.5
137.07906	1.9
141.05417	1.8
145.02840	36.2
145.04912	34.7
147.04399	7.1
149.05980	2.8
157.10112	2.2
159.11630	1.8
162.05525	1.3
163.03882	26.1
163.05954	1.6
170.08031	1.2
177.05438	60.7
187.05977	1.6
192.37863	1.2
193.04892	2.4
195.06516	8.2
219.82135	1.2
227.09135	5.2
231.08601	20.4
245.10161	11.5
249.09683	14.1
271.98553	1.3
335.18951	1.4
459.21994	2.6
460.22565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
53.29933	1.3
55.05505	18.7
55.29153	1.2
57.03426	2.0
57.07066	2.8
65.03953	1.7
66.26266	1.4
67.05494	41.0
69.07056	26.9
72.12400	1.3
79.05466	23.2
81.07036	58.6
83.04955	3.1
83.08590	11.1
85.06528	2.1
91.05456	21.2
93.07022	59.1
95.04928	3.6
95.08585	100.0
97.06516	6.1
97.10138	3.2
99.08057	6.3
105.07018	48.5
105.84102	1.4
107.08578	89.0
109.06478	9.3
109.10145	52.8
111.08002	2.8
111.11753	1.8
116.98383	1.4
117.07001	7.8
119.08559	62.8
121.06511	2.5
121.09250	2.4
121.10120	59.6
123.08047	6.3
123.11681	24.9
125.08727	1.5
125.09659	2.1
128.06152	2.0
129.06996	2.9
131.08524	22.9
133.10098	43.6
135.08061	3.0
135.11673	53.7
137.13217	10.1
143.08540	7.8
145.10086	34.7
147.11667	36.5
149.09636	1.7
149.13242	23.4
156.09337	2.1
157.10120	13.4
158.10834	3.1
159.08058	2.4
159.11667	34.0
161.13214	28.7
163.11159	1.5
163.14774	12.4
169.10078	2.2
171.11653	12.9
173.13214	16.1
175.14809	11.9
177.12688	2.3
177.16270	2.9
183.11639	2.2
185.13249	3.7
187.14761	12.4
189.12784	2.6
189.16336	24.6
191.14256	2.2
191.17899	40.8
199.14781	8.3
201.16388	17.2
203.14148	2.0
203.17900	8.6
205.15817	2.1
205.19530	2.8
207.17419	13.7
211.14632	2.2
213.16353	9.1
213.19688	1.5
215.14291	1.8
215.17900	9.7
217.15862	2.5
217.19510	6.1
218.12535	3.1
227.17758	1.8
229.19383	2.3
231.17522	2.0
238.50885	1.6
241.19353	2.0
255.20877	1.6
257.22598	2.0
405.35507	2.2
423.36777	19.4
441.32764	17.5
459.28192	2.3
459.34256	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	459.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84396	1.8
53.03942	1.6
55.01863	16.6
55.05509	16.8
55.05740	2.1
57.03434	2.5
57.07067	3.3
59.04989	18.9
60.15902	1.4
65.03912	2.4
67.05492	37.0
69.03416	2.7
69.07056	30.8
71.04994	1.6
71.08588	1.7
79.05471	19.1
81.07037	69.1
83.04965	3.7
83.08618	15.9
85.02879	2.5
85.06516	3.8
87.04453	7.2
91.05452	25.5
93.07027	66.8
95.04964	3.5
95.08585	100.0
97.06501	27.6
97.10163	7.2
99.08051	2.8
105.07014	43.6
107.08580	97.7
109.06495	3.7
109.10140	49.2
111.08085	4.4
113.05985	9.3
115.07550	16.7
117.07026	2.9
119.08550	71.9
121.06541	2.9
121.10121	81.7
121.10979	3.8
123.08054	3.6
123.11677	36.6
125.09603	4.4
131.08548	20.6
133.10107	50.2
135.11668	81.5
135.12660	3.5
136.12022	2.6
137.09584	2.8
137.13254	8.5
143.08478	7.1
143.10658	7.5
144.09401	2.4
145.10091	33.9
145.85168	1.8
147.11653	37.7
149.09642	2.7
149.13242	38.8
151.11168	2.0
153.46579	1.9
155.08505	2.3
156.09323	1.8
157.10112	10.5
158.10878	2.9
159.11658	51.7
161.09663	2.1
161.13206	31.1
163.11081	2.2
163.14807	17.2
169.10207	2.7
171.11662	8.0
173.13213	29.3
175.11165	1.9
175.14815	19.7
177.12744	2.4
177.16353	4.3
183.11697	2.8
185.13193	7.7
187.14745	14.5
189.16312	30.1
191.14349	2.3
191.17908	81.4
197.13177	3.1
199.14766	3.5
201.12724	7.9
201.16409	10.2
203.14444	2.3
203.17955	14.7
205.15855	3.5
205.19540	1.9
207.17400	15.9
211.43353	1.9
213.16318	3.9
215.14232	2.2
215.17926	14.7
217.15921	8.2
217.19437	13.1
219.13800	3.5
219.17465	7.6
231.17435	3.0
233.19012	10.1
237.18520	2.2
249.18457	8.4
251.20097	2.4
329.68771	2.2
355.48480	2.1
405.30411	4.2
423.31461	3.6
423.36807	15.4
441.32065	37.9
441.37473	41.2
459.34750	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
54.61018	1.1
55.01866	5.9
55.04757	1.1
55.05502	15.4
57.03407	1.1
57.07050	5.2
59.04988	5.5
64.53632	1.1
67.05488	26.8
67.94485	1.1
69.03416	2.0
69.07050	27.7
71.04977	2.5
71.08583	1.4
71.14476	1.4
79.05476	19.0
81.07034	63.8
82.07382	2.1
83.02277	1.2
83.04961	3.4
83.08591	13.2
85.06527	6.8
87.04453	1.8
91.05447	20.0
93.07022	47.7
94.07380	2.5
95.04929	3.3
95.08580	100.0
96.08916	5.6
97.06496	11.7
97.10162	7.3
105.03539	1.6
105.07003	54.0
106.07349	5.0
107.04946	1.7
107.08572	83.4
108.08887	2.8
109.06500	9.2
109.10133	49.0
110.10476	1.7
111.08076	6.2
113.09625	2.1
115.07555	6.7
117.06986	3.4
119.08554	68.0
120.08903	8.3
121.06459	2.3
121.10117	69.2
122.10471	3.1
123.08040	6.1
123.11687	27.4
125.09615	3.5
131.08536	21.0
133.06490	1.7
133.10100	48.1
134.10448	3.1
135.08026	5.8
135.11668	57.6
136.11981	3.3
137.09644	2.8
137.13235	8.5
139.11179	2.1
143.08549	7.9
143.10632	1.8
145.10092	30.0
146.10397	1.3
147.07961	2.9
147.11658	33.9
148.11980	2.2
149.09590	3.4
149.12132	2.8
149.13228	33.0
151.07523	1.9
151.11151	3.1
153.09177	2.1
157.10121	14.0
158.10735	1.9
159.07999	2.0
159.11656	31.8
160.12337	1.4
161.09587	3.0
161.13232	29.5
162.13579	1.8
163.14784	18.9
169.10129	2.0
171.11691	8.7
172.84550	1.3
173.13245	22.8
175.11090	2.7
175.14786	24.9
176.11444	1.8
176.15147	3.1
177.12733	5.3
177.16359	8.9
179.10823	1.4
179.14328	2.6
183.11714	3.4
185.13206	8.4
187.11168	1.6
187.14818	19.4
189.12755	2.2
189.16368	27.4
190.12860	1.6
190.16718	2.6
191.14313	2.3
191.17900	54.0
193.15811	2.5
194.91826	1.9
199.14839	6.6
201.12639	1.7
201.16364	8.7
203.14342	10.6
203.17888	15.4
204.14621	13.4
205.15929	2.9
207.17375	10.5
208.17699	2.0
211.14777	1.7
213.16414	3.0
215.14267	2.0
215.17947	9.6
217.15887	2.1
217.19481	7.1
219.17453	8.8
221.18921	2.9
225.16402	2.6
227.17957	2.3
229.19489	2.7
231.17325	1.9
233.15311	9.6
233.18890	10.8
239.17906	2.3
241.15756	1.7
241.19417	2.3
243.20999	1.8
249.18465	1.7
255.21051	2.3
395.32678	5.6
405.31393	1.9
411.32370	5.4
412.32776	16.2
413.33334	49.3
423.32401	8.7
423.36850	3.2
441.32394	35.0
441.37820	13.5
458.37100	6.0
459.33841	13.3
459.38147	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	459.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01864	13.6
55.05502	19.0
57.03420	2.3
57.07066	8.2
59.04992	20.1
65.03910	1.8
65.23832	1.5
67.05493	35.0
68.80965	1.2
69.03403	2.0
69.07050	33.4
70.42469	1.3
71.04982	3.3
79.05470	29.2
81.07035	75.4
83.04957	6.6
83.08595	15.2
85.02869	1.8
85.06532	2.5
87.04453	6.4
91.05455	22.9
93.07018	76.6
95.04945	5.9
95.08580	100.0
97.06506	28.8
97.10146	7.8
99.08050	3.4
105.06396	1.5
105.07010	52.7
107.08577	92.3
109.06477	3.6
109.09399	2.3
109.10135	60.2
109.10847	2.9
111.08081	7.5
111.28484	1.6
113.05991	9.7
113.09641	2.2
114.87900	1.5
115.07515	14.1
117.06995	6.3
119.08554	78.2
119.35928	1.4
121.06499	2.3
121.10117	85.8
123.08052	8.9
123.11678	26.1
125.09615	8.2
131.08525	19.8
133.06570	1.7
133.10107	55.6
135.08029	3.0
135.11670	69.7
137.09659	10.4
137.13214	13.6
139.11148	3.4
141.09094	2.4
143.08522	7.1
143.10666	2.6
144.09259	2.9
145.10124	33.9
147.11662	38.1
149.09673	1.6
149.13222	34.6
151.11179	2.1
152.82230	1.4
157.10121	9.9
159.11659	44.9
161.13202	32.8
163.14828	9.0
170.26074	1.5
171.11720	6.0
173.09727	1.8
173.13193	27.8
175.11087	1.5
175.14761	17.9
177.12732	2.3
177.16287	3.3
183.11803	1.4
185.13229	6.8
187.14789	15.2
189.12697	2.7
189.16327	22.2
191.14293	6.3
191.17908	77.6
193.15707	2.0
195.11855	2.0
199.14799	6.5
201.12749	5.8
201.16344	13.8
203.14342	2.0
203.17932	10.9
205.12309	1.7
205.15807	1.8
207.17397	10.8
213.16350	7.8
215.17830	10.7
217.15947	2.9
217.19464	11.8
219.13733	6.4
219.17426	7.9
227.17966	2.2
229.19597	1.6
230.74161	1.8
231.17340	7.8
233.18971	14.4
243.21034	3.1
249.18469	13.7
317.21307	1.9
376.00998	1.5
387.28946	3.4
405.29916	14.7
413.33948	2.4
419.95792	1.5
423.31488	7.0
423.36063	9.3
438.57019	1.5
441.32709	18.3
441.37137	40.3
459.34317	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	459.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22519	1.2
53.00296	1.8
53.03929	1.1
55.01859	10.8
55.05500	16.9
57.03419	1.3
57.07058	3.5
59.04998	12.7
62.88290	1.2
64.66547	1.4
67.05486	28.3
69.07047	30.2
71.04961	1.9
79.05479	17.7
81.07036	53.3
81.13425	1.5
83.04933	2.6
83.08606	15.5
85.06532	2.8
87.04426	7.4
91.05450	15.8
93.07021	64.9
95.04914	2.8
95.08577	100.0
96.08944	3.3
97.06483	21.7
97.10137	3.4
99.04417	2.0
105.07011	46.5
107.08571	85.5
108.08925	2.0
109.06482	3.0
109.10141	57.8
111.08059	8.3
111.11701	1.6
115.07522	14.4
117.07014	2.5
119.08554	68.1
120.08904	2.4
121.06459	2.5
121.10117	70.4
122.10414	2.0
123.08053	6.3
123.11668	25.5
125.09604	9.8
129.06985	1.6
131.08534	17.3
133.10091	44.4
133.11028	2.5
135.08046	2.4
135.11659	61.5
137.09612	3.3
137.13219	6.6
139.07541	1.7
139.11212	2.0
143.08533	7.2
143.10681	3.5
145.10094	28.6
147.08101	1.7
147.11664	39.0
149.09560	3.0
149.12120	2.9
149.13208	36.8
151.07513	2.2
151.11191	2.7
154.28050	1.5
157.10100	8.3
158.10985	1.4
159.11652	37.1
160.12114	2.0
161.13197	29.7
163.11125	2.4
163.14767	17.1
165.12691	1.8
169.10114	1.8
170.10785	2.0
171.11656	9.0
172.12341	1.8
173.13222	23.4
175.11159	1.4
175.14767	15.0
177.12662	1.6
177.16373	9.3
183.11690	2.6
183.27646	1.5
185.13200	7.4
187.11234	2.7
187.14809	11.9
189.12701	2.6
189.16341	33.0
191.17911	69.7
197.13254	2.3
199.14729	3.3
201.12749	3.4
201.16348	12.4
203.17911	13.8
205.15790	3.3
205.19586	1.8
207.17348	9.5
211.14890	1.7
213.16289	6.7
214.84244	1.6
215.14371	2.0
215.17921	8.1
217.15833	3.2
217.19429	9.3
219.13721	5.1
219.17416	9.9
223.16666	1.5
227.17946	2.5
229.19432	2.9
231.17377	2.0
233.15402	2.4
233.18983	10.3
235.16771	1.9
243.21153	2.3
251.19965	1.8
297.21921	2.2
297.54291	1.6
335.74603	1.9
377.28546	1.7
395.32684	6.6
405.31357	3.2
413.33963	12.7
423.31238	10.7
423.36197	10.2
424.32587	2.0
441.31873	5.0
441.38007	35.0
458.33368	1.8
459.34143	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	459.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
54.61018	1.1
55.01866	5.9
55.04757	1.1
55.05502	15.4
57.03407	1.1
57.07050	5.2
59.04988	5.5
64.53632	1.1
67.05488	26.8
67.94485	1.1
69.03416	2.0
69.07050	27.7
71.04977	2.5
71.08583	1.4
71.14476	1.4
79.05476	19.0
81.07034	63.8
82.07382	2.1
83.02277	1.2
83.04961	3.4
83.08591	13.2
85.06527	6.8
87.04453	1.8
91.05447	20.0
93.07022	47.7
94.07380	2.5
95.04929	3.3
95.08580	100.0
96.08916	5.6
97.06496	11.7
97.10162	7.3
105.03539	1.6
105.07003	54.0
106.07349	5.0
107.04946	1.7
107.08572	83.4
108.08887	2.8
109.06500	9.2
109.10133	49.0
110.10476	1.7
111.08076	6.2
113.09625	2.1
115.07555	6.7
117.06986	3.4
119.08554	68.0
120.08903	8.3
121.06459	2.3
121.10117	69.2
122.10471	3.1
123.08040	6.1
123.11687	27.4
125.09615	3.5
131.08536	21.0
133.06490	1.7
133.10100	48.1
134.10448	3.1
135.08026	5.8
135.11668	57.6
136.11981	3.3
137.09644	2.8
137.13235	8.5
139.11179	2.1
143.08549	7.9
143.10632	1.8
145.10092	30.0
146.10397	1.3
147.07961	2.9
147.11658	33.9
148.11980	2.2
149.09590	3.4
149.12132	2.8
149.13228	33.0
151.07523	1.9
151.11151	3.1
153.09177	2.1
157.10121	14.0
158.10735	1.9
159.07999	2.0
159.11656	31.8
160.12337	1.4
161.09587	3.0
161.13232	29.5
162.13579	1.8
163.14784	18.9
169.10129	2.0
171.11691	8.7
172.84550	1.3
173.13245	22.8
175.11090	2.7
175.14786	24.9
176.11444	1.8
176.15147	3.1
177.12733	5.3
177.16359	8.9
179.10823	1.4
179.14328	2.6
183.11714	3.4
185.13206	8.4
187.11168	1.6
187.14818	19.4
189.12755	2.2
189.16368	27.4
190.12860	1.6
190.16718	2.6
191.14313	2.3
191.17900	54.0
193.15811	2.5
194.91826	1.9
199.14839	6.6
201.12639	1.7
201.16364	8.7
203.14342	10.6
203.17888	15.4
204.14621	13.4
205.15929	2.9
207.17375	10.5
208.17699	2.0
211.14777	1.7
213.16414	3.0
215.14267	2.0
215.17947	9.6
217.15887	2.1
217.19481	7.1
219.17453	8.8
221.18921	2.9
225.16402	2.6
227.17957	2.3
229.19489	2.7
231.17325	1.9
233.15311	9.6
233.18890	10.8
239.17906	2.3
241.15756	1.7
241.19417	2.3
243.20999	1.8
249.18465	1.7
255.21051	2.3
395.32678	5.6
405.31393	1.9
411.32370	5.4
412.32776	16.2
413.33334	49.3
423.32401	8.7
423.36850	3.2
441.32394	35.0
441.37820	13.5
458.37100	6.0
459.33841	13.3
459.38147	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	459.3466
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
50.24055	3.3
55.05492	26.9
57.07060	4.9
58.10957	3.1
67.05485	31.8
69.07045	31.3
79.05457	29.1
81.06667	4.2
81.07040	73.7
83.04947	4.7
83.08593	16.4
87.92786	3.6
91.05443	32.0
93.07026	65.3
95.04915	8.2
95.08584	99.5
97.06529	7.1
97.10137	5.1
105.07014	62.0
107.08571	99.4
109.06502	20.0
109.10132	57.3
111.08077	8.1
112.08447	3.6
117.06983	8.9
119.08567	98.7
121.06469	7.8
121.10114	65.7
123.08015	7.7
123.11662	22.9
125.09589	6.2
129.06932	5.8
131.08516	26.4
133.10103	88.3
135.07990	14.9
135.11656	49.8
137.09531	6.5
143.08513	8.0
145.10115	45.1
147.08005	5.3
147.11667	50.8
149.13255	31.2
151.11110	6.5
157.10060	23.5
159.08076	6.3
159.11661	29.6
161.09492	6.6
161.13184	22.4
163.14774	18.5
169.10112	4.9
171.11670	17.9
173.09601	4.2
173.13231	25.7
175.11267	5.9
175.14780	51.7
177.16296	8.7
183.11606	8.2
185.09372	3.7
185.13177	8.5
187.14748	23.5
189.16331	34.0
191.17923	6.0
193.15819	24.4
195.13806	4.8
197.13220	6.2
201.12669	7.7
201.16408	6.0
203.14256	18.0
203.17865	8.5
207.17351	8.1
214.21831	4.4
215.14243	6.9
215.17958	5.7
217.15822	5.2
231.17465	7.4
233.15335	17.5
236.29417	4.5
241.19308	4.5
253.19583	5.1
312.15271	5.0
313.16675	4.3
387.30463	7.8
405.31293	18.1
414.43979	4.7
423.32669	71.8
441.33618	100.0
442.33826	5.0
459.35071	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01857	12.2
55.05503	17.5
57.03418	1.9
57.07061	8.6
59.04984	13.2
63.36951	1.5
67.05489	33.9
68.77722	1.5
69.03442	1.9
69.07054	34.9
71.04994	2.0
79.05468	19.3
81.07039	65.5
83.08592	15.4
85.06525	4.3
87.04427	4.2
91.05465	21.5
93.07027	62.2
95.04951	7.5
95.08592	100.0
95.09199	4.5
95.97778	1.7
97.06519	24.9
97.10141	9.3
99.08080	3.0
105.07014	54.5
107.08581	96.1
108.26443	1.9
109.06486	4.0
109.09401	2.0
109.10143	57.9
111.08093	2.6
115.07578	17.2
115.08245	1.9
117.07012	4.1
119.08560	84.4
120.08870	2.2
120.58510	2.0
121.06490	4.3
121.10130	78.9
123.08063	9.6
123.11657	29.8
125.09602	7.3
129.06905	2.1
131.08511	23.4
133.10121	50.2
135.08051	4.6
135.11678	73.0
137.09583	3.9
137.13229	11.3
143.08540	10.5
143.10655	2.8
144.09219	2.2
145.10127	33.8
147.08029	2.9
147.11670	41.7
149.13249	39.7
151.11104	2.0
157.10075	15.5
158.10837	2.4
159.11664	51.7
161.13217	30.4
163.11176	2.8
163.14780	26.6
165.12778	2.6
171.11618	13.9
173.09608	1.9
173.13225	35.0
175.11171	2.1
175.14781	26.4
177.12726	2.3
177.16403	7.1
183.11633	3.3
185.13173	8.2
187.11142	2.9
187.14799	20.3
189.16325	22.2
191.17917	70.6
193.15869	3.0
197.13252	3.0
199.14822	7.5
201.16316	16.2
203.14249	2.3
203.17934	16.7
205.15956	2.7
205.19559	1.9
207.17426	12.4
211.14851	2.5
213.16359	4.1
215.14326	2.4
215.17879	14.3
217.15936	3.5
217.19533	4.4
219.17397	7.7
227.17926	3.2
229.19330	2.4
231.17342	3.6
233.15300	3.2
233.18930	11.5
257.22556	3.9
344.94815	1.9
405.31177	2.3
423.32144	10.2
423.36206	10.4
441.38028	37.3
459.34592	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85223	1.6
55.05501	13.7
57.03431	2.1
57.07064	11.0
59.04982	3.5
61.88235	1.5
64.07171	1.6
67.05492	17.0
69.07047	19.9
71.08609	2.0
79.05470	12.2
81.07039	48.4
83.08613	10.8
85.06554	1.9
89.05997	1.7
91.05476	8.1
93.07032	27.2
95.08583	60.6
97.06510	8.9
97.10155	2.8
105.07016	32.5
107.08586	51.6
107.82850	1.5
109.06552	2.5
109.10140	34.8
111.08011	2.7
119.08562	52.0
121.06506	3.0
121.10118	35.2
123.08052	3.6
123.11703	19.4
125.09602	2.0
127.11145	3.3
131.08574	8.1
133.10103	39.8
135.11667	32.4
137.13223	4.3
145.10112	9.8
147.11673	35.2
149.09633	2.4
149.13245	15.8
151.11221	3.5
157.10101	2.8
159.04240	2.0
159.11687	11.5
161.13237	17.8
163.14793	20.3
165.09013	2.3
173.13263	10.9
175.11285	2.1
175.14787	40.6
177.16345	3.5
187.14796	3.8
189.16350	4.1
191.14308	7.5
191.17966	17.5
193.15923	12.4
203.17897	27.8
205.15851	7.1
215.17908	2.0
217.16000	1.7
217.19534	4.2
219.14069	2.7
219.17264	2.4
221.18864	2.8
235.16702	1.8
279.23264	3.4
298.11670	1.9
395.33102	2.3
423.36578	3.0
441.37741	13.1
459.34656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03938	2.8
55.01857	5.3
55.05508	26.5
57.07059	12.8
59.04977	3.9
64.36969	3.0
64.42534	2.8
66.12029	2.5
67.05485	40.9
69.03404	15.5
69.07063	40.3
71.04961	12.6
73.72955	3.0
76.81140	2.6
79.05471	28.2
81.07037	76.6
82.07368	4.1
82.84718	2.9
83.04933	3.7
83.08601	21.3
85.06532	4.2
91.05453	26.1
93.07016	62.7
95.04947	85.8
95.08584	100.0
96.08914	4.9
97.06499	12.7
97.10168	5.9
99.08071	3.7
105.07001	49.5
107.08579	99.1
108.08939	5.2
109.06492	17.9
109.10149	63.5
111.08060	6.2
117.07001	5.5
119.08544	79.1
120.08910	4.5
121.06445	4.4
121.10114	78.6
122.10439	5.0
123.08051	13.3
123.11701	33.3
125.09602	7.3
131.08537	23.5
133.10104	70.2
135.08061	4.7
135.11668	73.7
137.09633	6.1
137.13281	4.8
143.08565	6.2
145.10078	33.3
147.04384	5.9
147.11688	43.5
149.09607	5.9
149.13223	25.4
151.11165	7.2
157.10101	7.1
158.10677	3.4
159.11678	36.3
161.09560	4.6
161.12068	3.2
161.13176	28.1
163.14787	18.2
165.12682	6.3
169.10054	6.6
171.11603	16.1
173.13252	26.9
174.13455	3.7
175.11172	6.1
175.14813	22.1
177.16345	3.6
178.21114	3.4
187.14738	21.8
189.12758	4.7
189.16356	33.1
190.16716	3.8
191.17982	34.1
195.55537	3.2
197.13194	5.5
199.14787	13.5
201.12680	12.6
201.16356	13.4
203.17989	13.0
207.17398	12.9
211.14786	4.5
213.16470	12.6
215.14369	4.4
215.17928	11.4
219.13817	7.7
227.17992	4.2
233.15392	7.3
235.16841	12.5
283.20712	4.0
299.23456	3.5
311.88763	3.6
337.28775	4.0
355.29880	20.4
373.30975	13.3
395.32758	5.2
423.32550	22.2
424.32922	24.9
441.33395	72.1
459.35049	96.3
480.97754	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3468
Annotation	Fruticoside B
Peak:m/z	Relative Intensity
53.03947	0.5
55.01846	0.6
55.05501	7.1
55.68513	0.5
57.03419	0.7
57.07067	1.3
57.67058	0.6
67.05490	11.1
68.05830	0.7
69.03407	1.4
69.06754	0.6
69.07060	9.0
79.05470	8.4
80.05794	0.7
81.07039	27.1
83.04968	2.9
83.08589	5.8
84.84662	0.5
85.06535	1.1
85.52798	0.5
91.05451	8.2
93.07020	22.0
95.04936	2.9
95.08582	39.8
96.08932	1.2
97.06510	3.6
97.10148	2.9
99.08080	0.7
105.07009	19.2
107.08575	34.2
108.08943	0.9
109.06501	3.9
109.10143	22.4
109.10853	1.1
111.08038	2.3
113.09618	0.7
117.06982	1.4
119.08554	29.9
119.82862	0.6
120.08865	1.1
121.06474	1.1
121.10120	23.3
121.45309	0.6
122.10419	0.9
123.08091	4.3
123.11677	10.0
125.09637	1.1
126.79588	0.6
129.06982	2.6
131.08546	9.4
133.10109	20.2
135.07997	4.2
135.11668	27.8
136.12033	0.9
137.09599	2.9
137.13226	2.8
139.07581	0.5
143.08568	3.0
145.10080	10.3
146.10533	0.6
147.11662	15.1
148.11971	0.6
149.09630	1.4
149.13232	13.8
151.11145	2.3
157.10139	6.0
159.11626	10.5
161.09563	1.1
161.13223	11.5
163.11160	1.0
163.14799	12.9
169.10098	1.0
171.11662	6.6
173.13211	14.3
175.11139	1.3
175.14772	15.8
177.12714	1.5
177.16428	5.7
179.14474	0.9
185.13252	3.5
187.14787	9.1
189.12845	1.0
189.16342	21.7
190.16739	1.0
191.14268	19.9
191.17915	4.0
197.13307	1.1
199.14787	4.3
201.16348	8.0
203.14326	2.6
203.17914	4.4
205.15871	3.5
207.17410	14.2
211.14732	1.1
213.12883	0.7
213.16364	2.6
215.17976	6.6
217.15894	2.3
217.19307	0.6
219.17505	0.7
225.16423	1.2
227.17921	3.7
229.19524	1.3
231.17387	2.9
233.15546	0.6
239.17796	1.0
241.19466	10.5
243.20956	1.0
245.18782	0.7
253.19385	1.0
255.20930	4.4
259.20538	1.2
269.22607	0.8
271.20444	0.7
273.22235	1.0
281.22589	1.0
299.23926	0.8
317.24796	8.4
339.26843	0.7
377.32034	5.6
395.33093	10.5
397.12070	0.6
405.31525	0.7
413.34055	100.0
413.89359	0.8
423.32297	2.7
441.33191	12.9
458.37079	5.2
459.34027	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	459.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	14.7
57.07064	3.0
59.04976	18.0
67.05492	38.6
69.03400	6.0
69.07043	15.7
71.04958	18.2
77.57815	2.6
79.05462	22.1
81.07040	85.7
83.04976	3.9
83.08617	3.0
85.06512	40.4
87.04410	5.3
91.05441	23.6
93.07023	40.4
95.04952	31.2
95.08586	60.4
98.98147	3.6
105.07020	40.0
107.08563	52.2
109.06467	5.3
109.10132	35.8
111.04408	3.1
113.05985	58.9
117.06980	11.8
119.08544	41.7
121.10127	38.3
123.11677	14.1
129.06985	11.2
131.08536	27.9
133.10114	26.3
135.08020	4.1
135.11659	29.6
137.13258	5.7
143.08519	15.0
145.08554	15.0
145.10091	36.9
147.11644	24.3
149.09550	6.5
149.13182	9.6
155.08514	18.2
157.10109	31.2
159.11682	48.3
161.13213	17.9
169.10114	4.4
171.11633	16.2
173.09636	3.1
173.13202	19.3
175.11101	3.1
175.14723	4.7
183.11644	21.9
185.13152	6.6
187.14781	11.0
189.12775	3.4
189.16327	10.7
191.14281	3.6
191.17941	10.7
194.10823	3.9
195.11667	19.1
197.13202	14.3
199.14796	5.5
201.12730	4.8
201.16319	6.0
209.13229	30.4
211.79875	2.8
213.16309	3.5
215.14294	6.6
223.14749	14.6
227.17924	3.5
238.86623	3.0
239.17827	3.9
251.17911	21.3
253.19522	4.7
279.18823	2.7
279.21030	45.3
297.22086	100.0
297.25406	5.0
353.91760	4.3
392.04941	3.0
423.32938	4.1
441.34116	9.2
459.30075	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	459.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.6
53.03924	2.3
55.01854	10.4
55.05503	89.4
57.03430	2.9
57.07055	9.2
57.51545	1.3
59.04985	6.6
64.33855	1.7
65.03940	1.8
67.05490	52.1
69.03410	13.0
69.07053	46.7
71.04987	5.3
71.08621	1.7
79.05470	43.2
81.07036	80.5
82.07373	2.0
83.04961	8.2
83.08601	68.1
84.08910	1.3
85.06541	6.2
86.84778	1.3
91.05447	21.3
92.09083	1.8
93.07023	54.2
95.04906	2.8
95.08580	74.4
96.08910	1.6
97.06498	12.2
97.10141	100.0
98.11549	1.7
105.07013	32.4
107.08568	74.6
108.08942	1.7
109.06481	3.8
109.10134	47.0
111.08063	10.3
111.11694	1.7
115.07538	2.6
117.06999	10.1
119.08566	39.2
121.09253	3.3
121.10110	55.5
123.08034	6.8
123.11689	20.0
125.09598	67.7
131.08524	14.9
133.10098	37.8
135.08000	16.8
135.11670	45.2
136.12035	2.3
137.08583	1.5
137.09552	5.0
137.13225	6.6
143.08549	3.9
143.10637	3.4
145.10106	20.0
145.70934	1.5
146.10423	1.8
147.11662	21.7
149.09599	2.1
149.13234	16.7
151.11176	2.4
153.09074	9.1
157.10107	9.2
158.10736	2.2
159.11641	21.7
161.13216	19.7
163.04019	1.6
163.14775	7.7
165.12646	1.9
171.10228	2.0
171.11662	3.6
173.13235	13.8
174.13579	2.1
175.14774	12.1
177.12724	1.9
177.16342	2.0
180.51828	1.6
183.11690	3.5
185.13235	2.4
187.14827	9.1
188.15274	1.6
189.11179	65.8
189.12624	3.9
189.16295	11.3
191.17914	20.9
199.14807	5.7
201.12830	1.7
201.16295	12.8
203.14409	2.2
203.17902	10.2
207.17540	2.4
208.17668	1.6
211.14775	1.7
213.16397	2.5
215.17909	6.4
217.16000	1.7
217.19482	10.7
229.19434	1.7
233.15263	2.3
233.18871	2.6
235.20488	9.9
253.21619	3.3
275.19977	2.9
323.44739	1.8
369.27847	8.6
387.28885	22.8
405.29950	73.0
408.96597	1.6
423.31052	31.4
423.36420	2.0
441.32751	17.8
458.26685	1.5
459.34622	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	458.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81672	1.5
55.01865	2.7
55.05264	1.7
55.05503	30.4
55.73488	1.0
57.03416	2.0
57.07061	5.5
59.04981	1.9
64.40429	1.1
65.03930	1.6
67.05489	88.0
67.05848	2.9
69.03400	1.3
69.07049	41.2
71.04967	12.6
71.08636	1.7
76.00944	1.2
79.05046	1.9
79.05476	31.9
81.07034	96.5
83.04952	1.4
83.08595	23.2
85.06519	8.1
91.05460	17.2
93.07019	45.5
94.07374	2.2
95.04955	2.4
95.08582	92.3
96.08901	3.1
97.06521	10.5
97.10143	9.0
99.08049	1.7
101.06036	1.6
105.07008	24.7
107.08575	34.3
108.08921	3.2
109.06447	4.6
109.10139	100.0
110.10442	1.9
111.08060	3.2
111.11671	1.6
117.06981	7.0
119.08549	28.8
120.08903	3.1
121.06472	2.2
121.10098	29.4
123.08035	2.3
123.11676	18.5
125.09605	2.1
127.11160	36.6
129.06972	1.5
131.08511	12.7
133.10091	18.8
134.10396	1.8
135.08025	2.3
135.11667	20.4
137.09613	3.1
137.13216	6.4
139.11168	2.1
143.08534	2.5
145.10092	12.8
145.12247	8.3
147.11641	13.4
149.09534	2.5
149.13211	8.3
150.13603	1.8
151.11197	2.3
153.12691	1.6
157.10071	2.7
159.11678	11.0
161.13191	11.2
163.11092	1.7
163.14766	2.6
165.12700	2.2
171.11653	2.2
173.11690	4.8
173.13203	11.0
175.14767	5.1
177.12743	2.4
179.14305	2.6
183.11606	2.2
184.59354	1.3
185.13295	2.0
187.14792	8.0
189.16428	2.0
191.17957	2.7
192.18286	1.8
193.70583	1.3
199.14922	1.2
201.16266	1.9
203.14362	1.7
203.17883	2.6
213.16356	2.0
216.18352	1.5
229.19432	1.5
243.21060	7.0
261.22083	16.3
279.23151	50.7
297.24188	17.3
297.42337	1.6
299.22012	1.6
405.32761	1.7
423.34106	2.4
441.33505	8.0
458.32904	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86299	4.7
54.10653	3.5
54.81694	4.0
55.05498	26.5
57.03433	3.9
57.07066	100.0
67.05492	71.1
68.79618	3.4
69.07055	34.8
71.04980	4.7
77.20326	3.9
79.05469	23.9
81.07038	93.5
83.08617	16.7
91.05446	15.5
92.08730	8.3
92.64156	4.2
93.07023	42.2
95.08595	71.4
97.06488	4.0
102.38945	4.4
105.07034	19.1
107.08582	24.1
109.10154	43.4
119.08562	8.6
121.10126	19.7
127.11156	20.3
131.08546	6.5
133.10143	9.5
135.11682	9.9
145.10167	5.0
145.12140	4.6
147.11673	8.0
149.13278	5.4
163.14774	5.8
184.21893	4.3
221.46309	4.2
243.20912	4.7
261.22131	8.5
279.23056	32.3
291.71625	4.3
294.90863	4.3
297.24249	20.8
390.22980	4.2
405.33453	17.9
458.35281	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	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.3
54.81937	2.0
55.01868	4.6
55.05506	36.2
57.03425	9.2
57.07068	8.6
58.79046	2.1
59.04995	2.5
61.02909	3.2
67.05498	89.6
69.03416	33.7
69.07061	36.1
70.07369	2.6
71.04980	10.8
73.02911	4.1
74.01465	2.2
79.05478	69.4
81.03403	61.7
81.07041	98.4
82.07391	3.8
83.04963	10.9
83.08617	19.4
85.02894	35.9
85.06519	4.0
91.05466	54.0
93.07027	100.0
94.07355	5.0
95.04945	13.5
95.08584	93.3
96.08924	15.2
97.02895	30.1
97.06507	8.8
97.10125	5.1
99.04456	7.0
103.05399	2.3
105.07011	67.9
105.07661	4.0
106.07371	3.2
107.08576	78.7
108.04456	4.5
108.08941	12.6
109.02885	16.9
109.06497	8.9
109.10145	51.5
110.10465	8.4
111.04382	3.1
111.08074	9.0
112.83854	2.3
117.07009	17.9
119.08562	73.8
120.08909	14.9
121.06489	4.4
121.10123	55.3
122.10468	10.5
123.08067	5.1
123.11682	21.9
125.09587	2.5
127.03906	13.2
127.13770	2.3
128.06181	2.9
128.83754	2.2
129.07007	13.3
131.08548	35.9
133.06456	3.0
133.10114	52.2
134.10454	4.7
135.08032	9.5
135.11684	42.5
136.12033	4.5
137.09564	4.5
137.13248	4.8
141.06992	3.5
143.08530	15.7
145.04919	4.2
145.10115	38.6
146.92676	2.1
147.07997	4.5
147.11694	32.1
148.11986	5.5
149.09634	3.9
149.13266	17.0
150.13516	3.6
151.07549	2.8
151.11206	4.8
155.08534	9.2
157.10123	18.5
159.11702	27.1
160.12074	4.0
161.09526	3.0
161.13272	24.6
162.13541	5.2
163.11143	4.2
163.14803	11.4
169.10136	9.4
171.11635	8.2
173.09650	2.4
173.13226	20.8
174.13509	2.6
175.14836	11.4
176.15216	2.8
183.11716	10.7
185.13234	10.7
187.14780	11.3
189.12762	2.6
189.16309	17.6
190.16672	3.5
191.14281	3.8
191.18024	3.8
197.13191	5.1
199.14812	8.7
201.16379	3.3
203.14345	3.9
203.17947	4.3
204.18149	3.4
211.14867	3.2
213.16342	2.7
215.17870	4.2
217.15898	2.5
229.19475	3.6
231.17314	2.3
235.16884	15.3
236.17323	4.6
241.19327	3.0
242.19711	2.6
243.21039	2.2
249.14626	2.8
259.20697	2.8
261.22198	11.7
277.21454	2.5
303.23401	7.1
315.23273	2.9
338.27570	3.4
351.23224	3.3
369.24191	15.3
387.25165	14.1
394.31937	2.4
405.26071	17.3
412.32663	4.9
422.35208	4.3
423.27448	3.1
423.32596	4.2
440.31860	3.6
441.33755	4.1
457.31903	3.3
457.36877	10.1
458.23541	4.0
458.33313	37.9
458.37622	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	458.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91780	0.4
53.03924	0.8
55.01851	2.5
57.03427	6.5
61.02915	10.3
61.81039	0.4
67.05495	0.6
69.03416	20.8
69.07039	2.7
70.59345	0.4
71.01330	0.5
71.04969	2.4
73.02901	3.9
75.46024	0.4
81.03408	7.7
83.01282	0.4
84.80437	0.4
85.02887	100.0
86.09677	0.5
87.04450	2.7
91.03943	4.6
95.05000	0.4
97.02869	23.8
97.06540	0.6
98.03165	0.4
99.04430	3.8
99.63522	0.4
103.03912	0.8
105.07014	0.6
108.45970	0.4
109.02856	10.7
114.09166	0.4
115.03899	1.7
115.07626	0.6
115.93736	0.4
119.04909	0.5
123.58411	0.5
125.47558	0.4
127.03890	23.1
131.04942	1.6
136.07542	1.0
145.04935	28.9
147.04433	0.5
163.05978	14.3
173.29437	0.4
177.05429	0.4
213.70993	0.5
224.02672	0.5
279.18027	0.6
325.11258	0.8
389.94281	0.5
412.28143	3.0
429.64960	0.4
457.20724	0.5
458.28500	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	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.3
54.81937	2.0
55.01868	4.6
55.05506	36.2
57.03425	9.2
57.07068	8.6
58.79046	2.1
59.04995	2.5
61.02909	3.2
67.05498	89.6
69.03416	33.7
69.07061	36.1
70.07369	2.6
71.04980	10.8
73.02911	4.1
74.01465	2.2
79.05478	69.4
81.03403	61.7
81.07041	98.4
82.07391	3.8
83.04963	10.9
83.08617	19.4
85.02894	35.9
85.06519	4.0
91.05466	54.0
93.07027	100.0
94.07355	5.0
95.04945	13.5
95.08584	93.3
96.08924	15.2
97.02895	30.1
97.06507	8.8
97.10125	5.1
99.04456	7.0
103.05399	2.3
105.07011	67.9
105.07661	4.0
106.07371	3.2
107.08576	78.7
108.04456	4.5
108.08941	12.6
109.02885	16.9
109.06497	8.9
109.10145	51.5
110.10465	8.4
111.04382	3.1
111.08074	9.0
112.83854	2.3
117.07009	17.9
119.08562	73.8
120.08909	14.9
121.06489	4.4
121.10123	55.3
122.10468	10.5
123.08067	5.1
123.11682	21.9
125.09587	2.5
127.03906	13.2
127.13770	2.3
128.06181	2.9
128.83754	2.2
129.07007	13.3
131.08548	35.9
133.06456	3.0
133.10114	52.2
134.10454	4.7
135.08032	9.5
135.11684	42.5
136.12033	4.5
137.09564	4.5
137.13248	4.8
141.06992	3.5
143.08530	15.7
145.04919	4.2
145.10115	38.6
146.92676	2.1
147.07997	4.5
147.11694	32.1
148.11986	5.5
149.09634	3.9
149.13266	17.0
150.13516	3.6
151.07549	2.8
151.11206	4.8
155.08534	9.2
157.10123	18.5
159.11702	27.1
160.12074	4.0
161.09526	3.0
161.13272	24.6
162.13541	5.2
163.11143	4.2
163.14803	11.4
169.10136	9.4
171.11635	8.2
173.09650	2.4
173.13226	20.8
174.13509	2.6
175.14836	11.4
176.15216	2.8
183.11716	10.7
185.13234	10.7
187.14780	11.3
189.12762	2.6
189.16309	17.6
190.16672	3.5
191.14281	3.8
191.18024	3.8
197.13191	5.1
199.14812	8.7
201.16379	3.3
203.14345	3.9
203.17947	4.3
204.18149	3.4
211.14867	3.2
213.16342	2.7
215.17870	4.2
217.15898	2.5
229.19475	3.6
231.17314	2.3
235.16884	15.3
236.17323	4.6
241.19327	3.0
242.19711	2.6
243.21039	2.2
249.14626	2.8
259.20697	2.8
261.22198	11.7
277.21454	2.5
303.23401	7.1
315.23273	2.9
338.27570	3.4
351.23224	3.3
369.24191	15.3
387.25165	14.1
394.31937	2.4
405.26071	17.3
412.32663	4.9
422.35208	4.3
423.27448	3.1
423.32596	4.2
440.31860	3.6
441.33755	4.1
457.31903	3.3
457.36877	10.1
458.23541	4.0
458.33313	37.9
458.37622	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	458.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.1
53.03952	0.3
54.38389	0.2
55.01852	0.5
55.05500	7.7
57.03425	8.5
57.07064	1.6
59.04984	1.4
61.02912	0.6
67.05489	1.4
69.03413	26.8
69.07051	100.0
70.06572	0.4
71.04987	2.1
72.08160	0.4
73.02899	1.4
75.04467	1.3
81.03395	2.0
83.04961	0.4
83.08599	2.5
85.02885	23.2
86.09683	0.3
87.04446	14.3
91.03964	0.3
92.08891	1.0
92.09389	0.3
95.04999	0.3
97.02866	18.5
97.06509	0.3
99.04374	0.3
109.02877	1.3
109.10153	0.4
111.04408	0.4
111.11696	29.7
115.03906	13.4
116.39578	0.3
119.04887	0.5
127.03892	3.4
127.11169	2.9
128.11520	0.5
129.12724	30.7
133.02858	0.7
133.04936	10.5
137.05969	0.4
145.04985	2.1
145.12265	0.4
147.04422	1.8
147.10158	0.4
147.13774	28.2
150.07611	0.6
152.07005	0.3
153.42110	0.3
162.03111	0.5
165.05418	0.3
169.04974	0.3
177.05495	1.4
184.24852	0.3
193.04921	7.0
246.15012	0.3
295.10318	0.6
309.19183	0.6
410.74472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95766	0.5
53.00287	0.6
55.01858	3.3
55.05256	0.8
55.05503	9.2
57.03172	0.8
57.03429	14.0
57.07057	3.1
59.04981	3.3
61.02903	0.6
66.29498	0.4
67.05490	1.1
69.03417	43.3
69.06712	0.7
69.07056	15.2
70.06570	0.7
71.04981	2.3
73.02908	1.2
75.04456	1.1
81.03397	2.6
83.04982	1.1
83.08607	39.4
84.04492	0.6
85.02892	32.5
85.06545	0.6
87.03938	0.9
87.04451	23.5
87.08076	7.3
91.05449	0.5
91.34816	0.5
93.07021	0.8
97.02873	65.0
99.04411	1.0
103.07511	0.5
105.05453	0.6
105.07033	0.7
107.08563	0.8
109.02843	1.1
109.10140	1.1
111.04438	0.9
111.08066	29.0
115.03909	30.8
119.08537	0.7
123.07998	0.5
127.03877	3.3
127.11077	0.5
129.09097	100.0
133.04942	20.1
136.07585	0.5
137.05975	0.7
145.04962	2.4
147.04454	0.9
147.10135	8.5
155.54420	0.5
163.03903	0.9
169.04916	0.8
207.10155	0.9
221.53430	0.5
225.11180	0.9
241.07153	0.6
243.12265	2.6
247.11780	1.0
261.13199	0.8
277.54462	0.5
290.06400	0.6
452.77017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.3
53.03930	0.2
54.81729	0.2
55.01869	0.3
55.05506	7.2
56.86130	0.1
57.03431	9.9
57.07064	1.1
59.04988	1.7
60.04512	0.9
60.81388	0.2
61.02918	0.9
63.45047	0.2
67.05488	0.4
69.03418	26.9
69.07056	100.0
70.03723	0.1
70.06580	0.7
70.07405	0.2
71.04975	1.1
72.05299	0.2
73.02901	1.0
75.04459	1.4
81.03410	1.0
83.04970	0.2
83.08613	1.9
85.02892	21.0
86.09687	0.3
87.04453	16.1
87.08125	0.2
95.04945	0.3
97.02875	18.4
99.04450	0.8
103.03890	0.3
109.02861	0.9
109.10134	0.2
111.04460	0.3
111.11702	27.8
115.03913	14.6
123.04405	0.2
125.09662	0.2
127.03874	2.2
127.11147	0.8
129.12732	13.5
131.81619	0.2
133.04950	11.8
136.07538	0.2
137.05965	0.2
145.04959	1.6
147.04344	0.2
147.13785	45.5
148.14113	0.2
150.07616	1.2
152.56291	0.2
157.04929	0.2
163.05942	0.2
169.04921	0.3
177.05402	0.3
193.04924	1.0
210.92928	0.2
212.35246	0.2
220.73950	0.2
241.07201	0.2
259.07974	0.4
279.17944	0.3
288.54706	0.2
295.10153	0.7
309.19037	1.3
377.44363	0.2
402.51395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26599	0.4
50.81509	0.5
55.01859	3.3
55.05502	6.9
57.03427	13.9
59.04988	3.3
60.04519	0.6
61.02896	0.9
62.53254	0.4
69.03414	41.5
69.07050	15.3
75.04466	0.8
81.03394	1.0
83.08601	38.1
85.02885	24.7
86.72681	0.5
87.04446	22.9
87.08073	7.6
91.03947	0.5
95.04942	1.0
97.02866	46.3
99.04422	0.7
109.10175	0.7
111.08055	24.6
115.03905	29.3
123.04395	1.2
127.03887	2.0
129.09088	100.0
133.04938	22.2
145.04939	2.9
147.10130	7.6
150.07605	0.7
182.50134	0.5
273.01266	0.5
295.10236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
62.46412	0.6
73.20553	0.6
76.36606	0.6
81.07034	0.9
85.02905	0.7
91.05472	5.8
92.09184	3.2
92.60825	0.6
103.05428	3.1
105.07003	1.2
107.04920	1.4
115.05443	7.5
117.03324	1.1
117.07030	1.1
119.04922	1.5
119.08584	1.1
122.03609	1.1
123.04425	0.8
129.06953	2.9
130.04111	1.5
131.04889	4.1
132.05704	1.2
133.06454	1.0
136.07564	3.0
137.05943	18.3
141.06912	0.8
143.04900	2.7
144.05669	1.0
146.03647	3.6
147.04411	5.5
147.08049	3.9
149.06000	1.1
151.03864	0.9
159.04404	0.9
160.05144	0.9
161.05931	10.5
162.06743	6.0
163.07454	1.3
165.06961	1.2
173.05925	0.9
175.03830	0.7
175.07552	4.2
177.05447	1.4
178.07773	4.6
179.08490	0.9
181.06490	0.7
187.07442	2.5
189.06949	5.1
190.07712	2.8
191.08589	4.2
194.07103	0.9
195.08130	1.2
202.07748	10.6
203.08577	3.0
204.09352	1.0
205.06407	5.7
205.10088	2.3
206.07185	8.3
207.06441	0.9
207.08160	1.3
209.09682	0.6
215.08559	2.8
216.09341	1.0
216.43616	0.7
217.06551	5.2
217.10060	9.7
218.07268	6.1
219.08041	6.7
220.08820	0.9
221.06013	1.4
221.09622	2.9
222.06688	1.5
223.07494	3.4
227.08485	0.7
230.07219	0.8
231.08015	4.7
232.08813	3.1
233.05946	5.3
233.09665	6.5
234.06728	16.9
234.10382	3.1
235.07539	4.7
237.09109	4.0
238.09798	0.9
244.08734	1.5
245.05859	6.4
245.09532	12.0
246.06703	2.3
247.07500	9.8
248.08211	4.5
249.09026	10.1
250.06187	3.5
251.06934	6.3
251.10687	1.1
255.08052	1.0
258.06802	1.2
259.07385	1.4
260.08316	1.3
261.05450	2.5
261.09064	7.7
262.06265	9.6
262.09647	8.4
263.07056	2.7
263.10696	1.5
264.07846	1.3
265.08563	6.3
266.09360	2.5
267.06586	0.8
273.05853	1.0
273.09088	5.8
274.09937	1.1
275.07022	4.2
275.10532	1.1
276.07806	8.3
277.08560	19.6
277.12180	5.9
278.05823	1.4
278.09311	2.5
279.06537	4.3
279.09836	2.3
281.08191	1.1
289.08554	2.9
290.05600	2.6
290.09354	6.5
291.10172	8.7
292.07202	2.5
293.08032	4.7
294.08829	8.9
295.05978	0.8
295.09512	1.1
303.10178	1.4
305.08066	4.6
305.11719	4.0
306.08829	1.4
306.12289	1.2
307.06216	1.3
307.09622	6.2
309.11130	14.0
320.10339	0.9
321.07562	1.4
321.11124	1.4
322.08392	0.7
337.10672	2.7
349.10663	6.2
350.11456	0.9
354.10892	2.6
366.10919	12.8
369.09729	0.8
369.13248	33.8
381.13245	87.1
399.14282	100.0
458.21646	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78606	2.5
54.44167	2.3
55.05505	34.8
57.07068	11.0
64.33752	2.7
65.92233	2.1
67.05495	63.8
69.03418	2.9
69.07047	61.4
71.04966	10.5
79.05474	27.7
81.07035	100.0
81.07476	5.2
83.04922	3.2
83.08597	29.8
85.06533	3.2
91.05447	24.9
91.40387	2.4
93.07023	49.6
95.08575	90.6
97.06489	3.6
97.10149	6.5
105.07022	34.1
107.08569	47.9
109.06533	2.9
109.10135	53.2
117.06982	4.6
119.08560	30.8
121.10123	52.4
121.16688	2.6
123.08059	4.4
123.11681	32.3
125.09548	2.6
129.06891	3.2
131.08542	16.0
131.89389	2.5
132.37892	2.9
133.06500	2.7
133.10117	34.7
134.10506	3.0
135.08020	4.9
135.11658	38.6
137.09618	4.2
137.13271	11.3
143.08549	6.2
145.10121	21.2
147.11684	24.3
149.09636	4.8
149.13243	12.2
157.10135	10.4
159.11685	18.0
161.13251	18.7
163.14792	4.8
171.11696	6.2
173.13240	17.5
175.14787	10.4
179.14227	3.3
185.13240	4.2
187.14728	11.7
189.16400	11.8
191.17982	10.6
193.15779	3.5
201.16388	5.8
203.17966	5.9
243.21085	3.5
261.22171	4.7
279.23163	39.4
295.17139	2.7
297.24139	5.4
302.49670	3.0
315.17999	4.9
399.41714	2.7
401.03439	3.2
411.32611	6.5
439.31598	5.4
439.37366	4.1
457.33188	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	457.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	23.3
57.03403	1.8
57.07066	8.2
59.04990	2.2
62.90467	1.8
67.05496	26.1
69.07056	33.0
71.04978	2.6
71.92021	1.8
79.05477	19.3
81.07030	65.3
83.04921	2.8
83.08591	17.7
85.06513	2.0
91.05453	19.1
92.67416	1.9
93.07020	55.9
93.69473	1.8
95.04945	3.8
95.08582	100.0
97.06488	2.8
97.10139	3.0
99.08138	2.1
105.06345	3.7
105.07011	52.2
107.08569	66.5
109.06520	7.5
109.10139	52.5
109.10836	2.5
111.08055	4.2
117.06985	9.2
119.08556	62.9
121.06513	2.7
121.10110	53.4
123.08076	4.8
123.11663	27.8
125.09660	2.0
129.06998	2.2
131.08492	14.9
133.10107	51.7
135.08075	8.3
135.11670	48.9
135.12660	2.2
137.09581	4.8
137.13216	14.8
139.11180	2.9
143.08540	13.5
143.38290	2.0
145.10077	28.8
147.08002	4.3
147.11653	35.5
149.05861	2.4
149.09573	10.2
149.13277	15.3
151.11191	2.7
155.08578	3.0
156.09392	1.9
157.10074	12.1
159.08112	2.6
159.11658	23.5
160.10791	2.4
161.09628	3.5
161.13214	18.2
163.11104	2.6
163.14775	10.4
169.10178	2.6
171.11632	18.1
173.13199	18.3
175.11253	3.4
175.14781	20.5
177.12788	2.3
177.16400	3.9
179.14265	2.5
179.17973	2.7
183.11696	3.0
185.13185	7.9
187.14804	15.8
189.12730	4.2
189.16341	45.4
191.17940	12.4
195.11626	2.6
197.13243	2.6
199.14821	4.8
201.16411	14.6
203.14310	3.2
203.17937	8.6
203.96457	2.3
205.15726	2.1
207.17429	23.4
211.14879	2.5
213.16449	9.5
215.17871	14.9
217.10257	2.6
217.12202	73.8
217.15756	3.0
217.19368	6.9
229.19429	2.9
235.16905	18.0
241.19466	3.0
247.16843	2.2
255.20972	2.4
259.16888	2.8
269.22485	2.3
393.31488	3.7
411.32184	4.2
421.30746	7.7
439.31268	19.4
443.82465	2.2
457.32825	46.3
457.37308	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	457.3677
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
52.94075	1.0
53.03938	2.0
54.41924	0.8
55.05505	17.1
57.03419	4.3
57.07064	7.8
59.04972	0.9
65.03938	1.3
67.05486	24.5
69.03407	2.1
69.07051	27.5
71.04963	4.6
79.05469	18.9
81.07037	59.6
83.04967	5.4
83.08598	12.7
85.06503	2.6
91.05459	26.2
93.07022	62.8
95.04934	5.0
95.08584	100.0
97.06516	2.7
97.10138	5.4
99.08071	1.3
105.07010	54.1
106.07422	1.2
107.08577	89.4
109.06478	8.1
109.09392	2.0
109.10138	57.4
111.08092	6.1
113.09630	1.6
117.07008	7.6
119.08556	90.9
119.21230	1.1
121.06494	2.2
121.09246	2.6
121.10118	70.4
123.08043	11.1
123.11678	27.6
128.98680	1.2
129.06990	5.2
131.08545	26.4
133.10106	56.0
135.08023	8.8
135.11670	53.8
137.09607	4.6
137.13223	6.6
141.06961	2.1
141.09042	1.3
142.07762	2.5
143.08545	12.4
144.09352	2.4
145.10095	35.3
147.08061	5.7
147.11661	50.0
149.09625	6.8
149.13239	24.3
149.79158	1.1
151.11142	2.8
155.08568	2.0
156.09315	6.3
157.10107	19.6
159.08063	2.4
159.11662	37.9
160.12459	1.4
161.09563	5.1
161.13229	31.0
163.11143	5.9
163.14786	20.4
165.12685	2.0
167.10611	1.7
169.10120	4.9
170.10779	3.3
171.11646	19.0
173.09685	1.4
173.13214	30.4
175.11191	5.8
175.14798	25.9
177.12718	7.0
177.16371	8.9
179.10707	1.6
179.14297	2.3
181.10094	1.4
182.10692	1.8
183.11636	4.5
184.12408	2.4
185.13225	12.7
187.11116	1.7
187.14767	22.7
189.12730	6.3
189.16356	32.0
191.14265	6.9
191.17900	38.5
197.13249	2.0
199.14740	11.4
201.12564	4.0
201.16345	16.1
203.14343	8.3
203.17931	24.9
205.12354	1.2
205.15833	4.8
207.13736	2.5
207.17403	8.0
211.14864	2.2
213.16412	13.5
215.14368	1.6
215.17766	7.9
217.12202	4.8
217.15810	8.8
217.19359	8.4
219.17406	1.5
221.15347	2.3
223.14908	1.7
225.16357	2.0
227.17917	4.2
229.15866	2.6
229.19493	2.1
231.13858	1.2
231.17477	8.4
231.21107	1.7
235.16866	2.5
241.19426	1.4
243.21021	1.9
245.18773	1.3
247.16914	2.0
249.14825	2.6
249.18352	8.2
253.19447	1.2
255.21104	2.6
257.18842	1.7
259.20554	1.8
267.21155	1.4
299.23569	1.9
375.30655	1.3
397.34915	1.8
399.32745	1.6
403.33670	2.2
411.36237	5.0
421.35068	13.1
439.36111	50.5
457.37576	35.6
462.30496	1.3
468.67645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
50.20577	1.2
53.03935	1.3
54.95961	1.3
55.05308	1.0
55.05504	18.0
57.03428	2.1
57.07053	8.0
59.04971	1.2
59.21690	1.1
59.69952	1.2
63.65356	1.1
67.05505	27.0
69.03398	2.2
69.07053	29.4
71.04976	2.7
71.08613	1.2
76.56494	1.8
79.05471	21.1
81.07038	59.7
83.04947	5.5
83.08607	13.1
85.06529	3.0
88.49178	1.1
91.05447	22.9
93.07021	61.5
95.04916	5.0
95.08580	100.0
97.06487	2.6
97.10150	5.2
99.08034	1.3
105.07015	59.5
107.08574	84.1
109.06484	7.9
109.10141	55.5
111.08054	10.6
117.06964	9.3
119.08556	98.4
121.06480	2.2
121.09248	2.8
121.10114	72.2
123.08063	11.1
123.08813	1.3
123.11681	25.5
125.09592	3.0
127.07574	1.4
129.06981	5.8
131.08539	28.7
133.06377	1.6
133.10100	66.3
135.07979	3.3
135.11667	50.1
137.09560	2.6
137.13222	6.5
142.07761	3.2
142.75426	1.3
143.08522	11.6
144.09373	1.6
145.10091	44.7
147.07988	3.3
147.10605	2.1
147.11667	40.6
149.09578	8.4
149.13220	20.1
151.11122	1.9
151.14803	2.0
153.12698	1.8
156.09352	2.2
157.10109	20.8
158.10931	2.4
159.08107	2.3
159.11658	38.5
161.09602	6.4
161.13217	36.8
163.11125	2.9
163.14760	21.1
169.10069	2.8
170.10857	2.4
171.11668	17.6
173.09558	1.9
173.13234	32.0
175.11078	6.0
175.14807	26.4
177.12740	2.9
177.16348	10.3
179.14246	2.0
183.11641	5.4
185.13168	7.6
187.14764	23.1
189.12688	3.0
189.16345	32.6
191.14209	4.9
191.17880	41.6
195.11508	1.3
197.13229	3.3
199.14781	8.9
201.12674	2.2
201.16357	12.3
203.14272	6.0
203.17928	22.6
205.15831	2.9
205.19492	1.6
207.13690	2.3
207.17419	9.9
211.14836	2.7
213.16389	12.0
215.17915	7.7
217.12167	6.5
217.15784	6.3
217.19482	10.2
221.15475	1.7
227.17911	1.6
231.17314	9.8
241.19432	2.1
243.21049	1.5
249.18413	8.3
255.21039	3.0
271.24103	1.5
393.35187	1.8
395.33029	2.5
397.34747	2.6
411.36392	2.8
421.34830	15.8
439.35812	56.0
457.37170	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
54.81747	0.6
55.05494	6.2
57.07065	1.3
64.92506	0.7
67.05496	9.1
69.03419	0.9
69.07052	9.4
71.05005	0.8
73.37204	0.6
79.05473	5.9
80.33962	0.7
81.07038	20.0
83.04542	0.8
83.04951	7.5
83.08609	3.4
85.06563	1.3
85.89331	0.6
91.04903	0.7
91.05449	5.1
93.07029	16.4
95.04954	3.3
95.08588	26.8
97.06500	2.8
97.10098	0.9
99.08075	1.1
105.07008	16.5
105.07655	1.0
107.08581	27.5
108.09734	0.7
109.06493	1.6
109.10139	17.0
109.33853	0.8
111.08091	2.9
111.11816	0.7
117.07012	0.9
119.08557	21.5
121.06493	3.2
121.10112	18.6
123.08063	2.8
123.11678	6.7
125.09625	1.3
129.06993	1.0
131.08543	5.5
133.06487	0.8
133.10103	17.9
135.08052	4.5
135.11662	19.2
137.09627	1.0
137.13268	1.3
139.11200	0.7
143.08589	3.8
145.10103	9.1
147.08034	1.2
147.11684	10.4
149.09590	5.8
149.13245	5.4
151.11208	1.0
155.08585	1.1
157.10117	4.8
159.11630	6.4
161.09598	5.2
161.13222	7.6
163.11208	1.2
163.14812	4.4
169.10114	1.1
171.11688	5.3
173.09653	0.8
173.13205	5.8
175.11258	1.5
175.14801	14.2
177.16342	9.6
179.14281	1.1
183.11719	1.6
185.13284	4.2
187.14745	5.4
189.12700	1.2
189.16344	14.9
191.14345	1.2
191.17984	3.6
193.15851	1.1
199.14783	3.7
201.16394	4.3
203.14301	1.6
203.17923	8.2
205.15912	0.7
207.17519	4.3
211.14833	1.4
213.16330	1.6
215.17888	3.2
221.18994	1.4
227.17903	1.1
229.19534	1.2
231.17456	1.4
235.16953	1.5
239.17848	0.7
241.19522	1.2
243.17357	0.7
249.18518	4.3
257.22610	0.9
259.20453	1.0
267.21069	1.2
273.22089	5.1
285.21994	2.6
303.23138	3.2
393.31583	0.9
406.36383	0.8
411.32507	3.0
421.34872	1.1
439.32007	7.1
439.36411	4.5
457.36798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	27-Desoxyphillyrigenin
Peak:m/z	Relative Intensity
55.05500	13.0
55.38868	1.1
57.03428	2.0
57.07074	3.9
67.05492	24.5
69.03436	3.2
69.07056	18.3
69.13301	1.4
78.70972	2.0
79.05495	9.7
81.07040	34.1
83.08634	7.6
91.05448	12.5
92.08665	3.0
93.07018	36.7
93.07558	1.7
95.04977	3.2
95.08588	53.4
97.06529	8.7
97.10184	3.2
98.19967	1.5
105.07015	36.3
107.08574	57.5
109.06536	8.8
109.10149	60.3
109.10841	2.5
111.08084	6.5
117.07030	3.4
119.08554	51.2
121.06543	6.3
121.10131	48.3
123.08080	8.3
123.11673	16.1
129.06079	1.9
129.06966	2.6
131.07727	1.5
131.08504	11.7
133.10115	35.1
133.10995	1.6
135.08035	72.0
135.11678	29.0
135.12500	1.7
137.09657	3.2
137.13278	3.2
143.08594	10.4
145.10110	21.8
147.08047	12.9
147.11662	22.5
149.09662	7.9
149.13315	10.6
156.09322	2.5
157.10114	17.3
159.11655	20.9
161.09602	19.5
161.13220	19.7
163.11256	2.1
163.14818	12.1
163.66483	1.7
170.10847	1.8
171.11629	14.0
173.13208	16.1
175.11218	7.9
175.14799	22.7
177.16386	6.0
177.49098	1.5
184.12508	2.2
185.13376	8.6
187.14806	19.4
189.16368	19.2
191.14336	2.9
191.17882	21.8
199.14786	17.5
201.16353	12.5
203.14400	9.5
203.18002	11.0
205.15854	16.6
207.17575	3.5
213.16512	3.2
215.14326	2.0
215.17982	2.8
217.15839	42.1
217.19453	3.1
221.15463	2.1
222.96410	1.8
225.16458	1.7
227.18103	2.8
229.19629	3.5
231.17470	6.6
231.67274	1.7
235.16879	41.0
243.17390	1.7
249.18591	7.9
421.34888	6.8
427.35867	6.4
438.45828	1.8
439.35941	32.4
457.36969	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	457.3675
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.29581	5.2
50.60764	5.7
55.05491	23.2
57.03419	6.6
57.07029	9.5
57.38322	5.8
67.05483	32.8
69.07039	35.6
79.05470	15.3
81.07030	46.8
83.08615	9.1
91.05463	15.4
92.09195	12.4
93.07021	52.5
95.08592	100.0
103.23439	7.0
105.06994	41.0
105.19536	5.6
107.08578	71.8
109.06473	10.0
109.10128	54.0
119.08563	45.0
121.09343	5.3
121.10120	57.5
123.11687	15.2
133.10149	27.0
135.11656	39.2
144.68394	6.1
145.10088	27.9
147.11638	38.1
149.13214	14.9
156.73611	6.7
157.10034	7.4
159.11700	10.7
161.13248	7.6
163.14745	12.8
175.14774	12.1
176.47527	6.4
187.14792	7.4
189.16295	38.1
191.17926	23.7
203.17915	32.1
207.17503	7.7
217.15640	7.2
217.19421	6.7
338.45993	7.4
411.36166	9.0
439.35315	30.5
457.32385	6.3
457.36243	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	457.3672
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05500	21.2
55.28818	4.2
57.07056	5.9
67.05489	28.3
69.07059	39.9
77.94124	4.7
79.05463	25.3
81.07034	100.0
83.04959	5.3
83.08585	11.1
91.05462	10.9
93.07024	68.1
95.04955	7.4
95.08586	85.4
95.73203	4.1
99.37270	4.1
105.07025	42.0
107.08549	70.5
108.68484	4.7
109.06455	8.4
109.10128	51.4
119.08569	55.2
121.10136	45.9
123.08022	6.2
123.11668	11.4
131.08513	19.7
133.10117	36.6
135.11691	25.8
143.08510	9.2
145.10086	26.6
147.11679	29.9
149.13210	10.9
157.10092	17.0
159.11617	33.4
161.13214	21.5
171.11676	5.8
173.13284	10.4
175.14815	9.7
186.35217	4.6
187.14757	11.7
201.16226	6.8
213.16370	6.7
229.19461	5.4
230.91310	4.7
263.57837	4.8
268.55081	5.0
325.28897	6.4
439.35739	6.7
457.37122	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
50.07679	1.6
51.54865	1.4
53.03895	1.5
53.77925	1.7
55.05507	18.5
57.03432	2.1
57.07075	4.9
61.43627	1.8
63.46233	1.7
67.05186	2.2
67.05498	34.5
69.03422	2.9
69.07059	36.2
77.63189	1.8
79.05489	27.3
81.06598	2.8
81.07043	54.6
83.04991	2.9
83.08599	13.3
85.06550	2.7
91.05447	21.5
93.07027	59.5
95.04954	3.2
95.08588	82.7
97.06508	44.1
99.08003	2.1
105.07010	46.5
107.08579	91.8
109.06548	7.2
109.09478	3.8
109.10147	67.1
111.08073	9.1
113.09633	3.0
119.08567	67.3
121.06475	2.5
121.10127	71.7
123.08045	9.4
123.11691	23.6
125.06026	2.1
125.09594	2.2
127.10957	1.9
129.40341	2.4
131.08546	19.4
133.06462	4.9
133.10114	60.0
135.08023	7.6
135.11668	56.4
137.09613	15.7
137.13234	8.3
139.11186	3.5
142.07770	2.3
143.08543	10.3
145.10097	30.2
147.08009	3.0
147.11668	41.2
149.13252	22.8
151.11168	2.5
157.10071	17.3
159.11691	26.2
161.09595	11.2
161.13211	28.8
163.11139	8.2
163.14812	18.9
169.10103	2.5
171.11633	10.3
173.09500	2.7
173.13266	19.8
175.11119	10.3
175.14801	13.4
177.16356	8.8
183.11714	3.2
184.12421	2.3
185.13232	12.9
187.14822	20.6
189.12677	9.2
189.16356	31.2
191.14285	3.2
191.17938	20.1
197.13220	3.9
199.14761	12.9
201.12787	3.8
201.16432	15.8
203.14275	12.2
203.17888	23.9
205.15904	3.4
205.19434	2.7
207.17430	4.0
211.14897	3.6
213.16371	7.9
215.17982	4.7
217.15837	8.1
217.19438	3.4
219.13712	8.0
219.17448	4.4
227.17810	2.6
229.15791	8.9
229.19501	3.5
231.17401	12.9
245.18893	3.6
249.18506	2.7
254.94170	2.1
259.20618	8.8
261.21976	2.6
267.21082	2.4
271.20264	2.5
273.22137	4.3
285.22064	2.2
325.25183	3.9
352.46234	2.1
386.30264	2.3
403.33649	2.2
404.07095	2.9
421.34604	100.0
439.30502	3.6
439.35751	80.9
457.31848	8.5
457.36548	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	457.3672
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.81747	1.4
55.05505	16.0
55.88787	1.4
62.80813	1.7
66.52123	1.5
67.05505	17.0
69.07048	18.3
71.19005	1.5
79.05486	14.4
81.07044	45.1
83.08606	9.7
91.05452	8.3
92.08601	6.6
93.07023	42.7
95.08582	99.3
97.10166	6.8
101.60417	1.4
105.07005	28.0
107.08575	85.0
109.10142	53.1
113.09537	1.7
119.08557	51.3
121.10125	59.4
121.10979	2.8
123.11697	15.9
131.08476	2.3
133.10103	37.4
135.11668	38.8
137.13214	2.8
145.10117	8.9
147.11661	34.7
149.09686	1.8
149.13242	23.8
151.14816	1.8
153.09071	3.1
159.11723	8.6
161.13235	24.4
163.14775	46.6
173.13211	6.8
175.14822	16.0
177.16360	16.3
179.14293	2.9
184.99884	1.6
187.14830	12.7
189.16356	36.9
191.17921	38.0
198.76343	1.5
201.16447	7.6
203.17926	37.4
205.19525	11.3
207.17447	2.1
215.17928	7.5
217.19557	7.7
221.18755	2.2
229.19434	2.7
231.21104	9.3
235.16927	2.0
241.19379	2.2
247.16974	2.2
249.18550	6.5
297.25839	8.9
315.26740	2.5
393.35095	11.2
411.36157	100.0
439.35770	13.5
457.36288	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
52.32701	1.4
53.03934	1.8
53.73882	1.3
54.65691	1.2
54.81598	1.4
55.05503	25.0
55.97749	1.3
56.19183	1.3
57.03422	2.7
57.07070	3.5
67.05491	33.8
69.03432	2.0
69.07050	20.2
69.51807	1.6
71.04972	2.1
71.81275	1.6
72.79494	1.5
79.05478	18.8
81.07034	57.1
82.43777	1.4
83.04968	7.4
83.08618	14.4
84.74919	1.7
85.06535	2.3
91.05456	17.6
92.08974	8.8
93.07023	42.4
95.04949	3.6
95.08575	72.5
97.06519	8.8
97.10154	6.8
105.07009	41.7
107.04879	1.5
107.08579	74.9
107.38470	1.8
109.06505	7.0
109.10145	54.1
111.08027	6.5
117.07027	3.3
119.08557	57.6
121.06473	6.9
121.10126	53.8
123.08054	9.0
123.11677	15.6
125.09645	6.6
128.01628	1.7
129.06956	2.4
131.08528	16.8
133.06444	2.0
133.10104	40.1
135.08032	59.3
135.09062	2.0
135.11655	39.8
137.09586	6.6
137.13249	6.3
139.11220	2.8
143.08569	9.3
145.06403	2.2
145.10071	22.8
147.07979	2.7
147.11655	25.7
149.09583	21.4
149.13211	17.5
151.11093	2.1
153.09143	1.6
155.08548	1.8
157.10085	13.5
159.11662	18.6
161.09546	7.3
161.13228	23.4
163.11130	2.9
163.14766	17.0
165.12700	1.9
169.10077	3.7
171.11620	11.3
173.09532	2.4
173.13220	15.6
175.11133	6.7
175.14760	24.8
177.12733	2.2
177.16394	9.1
177.77760	1.7
183.11697	6.7
185.13269	9.9
187.14786	19.6
189.12741	6.6
189.16356	26.8
191.14278	2.2
191.17900	8.3
195.11739	2.1
197.13136	2.0
199.14821	8.0
201.12662	1.9
201.16405	7.7
203.14290	16.5
203.17940	11.4
205.15854	3.8
207.17421	2.3
209.13187	2.7
211.14697	2.2
213.16386	7.4
215.14281	2.1
215.17918	6.7
217.15874	7.3
217.19666	1.8
221.15248	2.0
221.19040	1.8
223.14845	1.8
225.16331	2.5
227.17885	7.2
229.15962	1.8
229.19507	3.7
231.17340	1.8
235.16890	2.8
237.16348	2.7
239.17850	5.7
243.17380	2.2
243.21060	3.0
245.18913	1.8
249.14789	10.4
253.19339	2.7
255.21118	2.1
257.18945	2.2
261.22180	1.6
271.20239	1.7
273.22037	41.5
276.22519	1.7
279.23282	7.2
285.22177	2.7
289.17889	2.7
312.30557	1.7
318.40375	1.5
339.69119	1.9
343.73083	1.7
375.30380	2.7
393.31342	8.6
403.31979	2.3
411.32294	7.3
421.30429	2.6
421.35059	2.0
439.32303	21.4
457.23325	3.4
457.33011	100.0
457.37573	32.9
475.46616	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	457.331
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
51.80611	1.3
53.03923	1.6
55.05494	10.6
56.80217	1.6
67.05479	10.4
69.07039	11.8
71.75434	1.7
79.05460	7.8
81.07034	28.4
83.08595	3.4
84.04287	1.6
85.06520	1.8
88.39806	1.5
91.05455	12.6
93.07024	29.5
95.08579	52.6
105.07011	42.8
107.08574	45.3
108.08925	2.5
109.06506	2.7
109.10136	26.6
111.08054	3.3
117.07011	2.7
119.08562	56.9
119.17917	1.5
119.93951	1.7
121.10131	29.1
123.08048	3.4
123.11648	12.2
129.06958	11.5
131.08531	20.7
133.10094	41.1
134.10452	2.0
135.11670	50.9
137.09552	2.0
137.13268	2.7
138.96877	1.7
141.07021	2.4
142.07788	1.7
143.08542	24.4
145.10081	15.4
147.11658	31.7
149.13240	15.2
151.11220	6.5
155.08501	3.5
157.10124	9.7
159.11612	11.9
161.13205	13.4
163.14786	12.9
165.12669	2.3
169.10078	11.1
171.11662	8.9
173.13210	42.8
174.13626	3.0
175.14760	11.3
177.16371	2.3
179.14197	1.5
183.11732	3.6
185.13255	2.0
187.14784	11.0
189.12692	7.2
189.16339	100.0
197.13046	2.2
199.14806	4.1
201.16365	4.1
204.18132	1.8
205.15741	2.2
207.17413	90.9
213.16344	15.0
215.17967	11.7
223.14784	1.9
225.16261	5.9
227.17963	3.1
231.17245	1.8
239.17865	8.5
251.17683	3.3
253.19498	2.6
256.00201	1.9
305.22635	2.5
375.30362	33.3
393.31503	13.6
411.32330	7.7
427.35123	2.5
439.31793	3.4
457.33008	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	457.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
57.03430	0.6
57.07073	0.4
59.04982	0.4
67.05473	2.3
69.07049	3.4
79.05466	2.3
81.07038	6.8
83.04926	0.4
83.08570	1.6
84.56865	0.3
85.06504	0.4
89.05856	0.3
91.05450	3.3
93.07026	7.4
95.08592	10.3
96.09000	0.3
97.06511	0.4
97.10126	0.4
105.07011	11.7
107.08575	14.6
109.06502	1.3
109.10139	6.3
111.08038	0.8
117.07010	0.9
119.07707	0.6
119.08560	16.2
121.06461	0.7
121.10114	7.3
123.08034	0.7
123.11708	2.8
125.09635	0.5
128.61504	0.4
129.06966	0.6
131.08539	5.8
133.10106	14.1
135.08102	0.4
135.11671	19.3
136.04982	0.5
137.09557	0.8
137.13234	0.6
142.07718	0.3
143.08559	5.1
144.74817	0.4
145.10118	5.0
147.08049	1.5
147.10588	0.6
147.11671	10.5
149.13229	2.2
151.11151	2.4
155.08513	0.6
156.09326	3.0
157.10114	3.6
159.08044	1.9
159.11688	2.7
161.09604	0.8
161.13196	6.3
163.14786	4.1
165.12698	0.5
169.10097	0.8
170.10760	0.4
171.08102	0.5
171.11659	13.9
173.09586	1.5
173.13237	4.1
174.10382	0.5
175.11142	2.4
175.14746	1.7
179.14191	0.4
182.10982	0.4
183.11636	0.8
185.13257	1.8
187.14813	1.7
189.12714	4.3
189.16342	27.0
191.14317	0.9
191.17946	0.6
195.11642	0.5
197.13206	1.5
198.10374	0.5
199.11130	3.7
199.14816	1.6
201.12756	0.6
201.16371	0.6
202.09798	2.5
203.14305	3.2
203.17882	0.4
207.17407	34.3
209.13063	0.5
213.12717	9.8
215.14297	1.4
217.12204	100.0
217.19518	1.7
217.57327	0.4
218.12659	1.7
227.14259	1.3
227.17937	0.7
231.13763	7.0
231.17253	0.5
233.15414	1.9
234.13980	0.6
235.13190	0.7
245.15294	1.5
249.14751	2.9
249.18594	0.5
269.19077	0.5
299.19901	0.7
312.16721	0.4
403.29630	0.5
421.30688	3.6
431.39178	0.4
439.31824	22.4
440.32187	0.6
452.84137	0.4
452.91376	0.4
457.32745	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	457.3309
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
55.05494	2.5
55.29746	0.3
56.17466	0.4
57.03425	0.5
67.05486	3.0
68.72703	0.4
69.03369	0.7
69.07056	3.9
71.05000	0.4
79.05461	3.0
81.07034	9.1
83.04934	0.6
83.08587	0.9
91.05470	3.9
92.08962	1.4
93.07027	8.5
95.04906	0.4
95.08584	11.0
97.06492	0.5
105.07008	10.7
107.08587	11.4
109.06508	4.9
109.10139	4.2
111.08039	0.6
117.06948	0.9
119.08554	19.6
121.06468	2.0
121.10117	7.8
123.08037	2.1
123.11680	0.9
131.08517	3.9
133.06480	1.1
133.10110	10.4
135.08046	2.5
135.11676	6.4
137.09555	0.7
143.08527	2.6
145.10158	5.0
147.08034	2.2
147.11649	5.8
148.62988	0.5
149.09613	2.2
149.13203	3.5
157.08965	0.4
157.10114	3.4
159.08002	1.1
159.11632	3.3
161.09572	5.0
161.13223	3.6
163.11108	2.3
163.14824	2.0
165.12791	0.7
169.10065	0.8
170.10869	0.5
171.11650	2.1
173.09552	1.1
173.13248	3.3
175.11147	3.4
175.14781	16.7
183.11696	1.0
185.13239	5.2
187.11154	2.7
187.14771	3.0
189.12718	2.4
189.16328	3.9
191.14282	0.6
193.15895	1.8
197.13235	1.0
199.14806	0.8
201.12711	2.2
201.16261	0.7
203.14291	38.7
205.15900	3.0
207.17348	1.0
209.13295	0.7
213.12614	0.7
215.14349	0.6
219.17464	0.9
225.16455	0.5
227.14369	0.7
227.17940	0.7
239.17908	2.8
241.19478	0.7
255.17398	0.8
257.18851	0.7
269.19110	0.9
271.20541	0.9
297.22147	5.0
315.23349	0.6
323.23636	1.7
341.24759	1.0
355.26379	0.7
375.30283	1.1
393.31647	4.4
411.32483	100.0
412.32678	0.6
421.30936	0.9
439.31580	3.3
457.32907	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3311
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03930	0.7
55.05267	0.8
55.05499	10.1
57.07052	1.2
65.45626	0.8
67.05489	9.0
69.07048	9.6
71.04960	1.1
71.95437	0.9
79.05475	7.8
79.42856	0.9
81.07034	20.4
81.63772	0.9
83.04964	1.4
83.08591	7.2
85.06516	0.9
89.98335	1.1
91.05441	8.0
92.09203	3.8
93.07026	22.8
95.04935	2.2
95.08588	30.4
97.06477	1.8
97.10126	1.1
102.65881	1.1
105.07013	17.5
107.08575	28.6
109.02857	4.1
109.06488	2.1
109.10130	19.6
111.08082	3.7
117.06975	3.7
119.08556	30.4
121.06450	1.9
121.10115	22.1
123.08013	4.1
123.11652	8.5
129.06981	1.2
129.09099	1.8
131.08545	7.8
133.06470	2.0
133.10112	21.8
134.65303	0.9
135.08014	3.4
135.11656	21.8
137.09581	1.6
137.13234	1.2
143.08519	5.5
145.10091	13.7
147.08005	2.3
147.11656	14.3
149.09564	1.6
149.13203	5.6
151.11096	1.1
155.08478	0.9
157.10069	7.1
159.07993	2.1
159.11650	11.9
161.09621	2.1
161.13206	18.3
163.11133	1.0
163.14738	4.7
163.44785	0.9
165.09096	1.0
168.09294	1.1
169.10121	6.6
171.11673	7.7
173.09592	3.9
173.13193	7.7
175.11172	1.3
175.14821	9.2
175.16132	1.2
177.12677	1.9
177.16351	3.7
183.11626	5.5
185.13153	5.4
187.11107	3.8
187.14748	10.7
189.12694	5.9
189.16344	8.9
191.14250	2.0
191.17897	4.9
195.11441	1.1
197.13210	1.4
199.11081	1.8
199.14813	1.9
201.12808	3.6
201.16322	4.3
203.14291	10.3
203.17894	5.0
205.15819	1.1
207.17393	4.2
209.13028	1.4
213.12697	1.6
213.16434	2.2
215.14259	1.7
215.17912	3.3
217.12303	1.3
217.15837	1.9
221.15277	1.6
225.16383	1.4
227.17966	1.9
229.15828	2.0
229.19438	5.0
231.17386	2.1
239.17874	4.0
241.19452	1.3
243.17320	1.4
249.14780	14.0
249.18648	1.8
255.21124	1.0
257.18951	4.1
271.20346	1.6
305.22888	1.2
375.30243	2.0
393.31073	3.5
411.32297	4.8
421.30621	4.7
439.31656	9.2
457.32874	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	457.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05736	1.9
54.14684	2.1
55.01858	2.0
55.05501	24.4
57.03421	3.4
57.07072	4.2
67.05486	27.4
67.05779	3.1
69.03399	2.4
69.07047	39.1
71.04967	3.8
77.37032	2.4
79.05470	29.1
81.07036	67.1
83.04948	4.3
83.08596	10.0
85.06527	3.6
91.05456	26.5
93.07021	66.1
95.04932	5.6
95.08582	95.0
96.08906	2.9
97.06493	4.8
97.10145	3.1
105.07013	69.2
106.07317	4.0
107.08574	100.0
108.08884	11.1
109.06494	5.1
109.10137	61.3
110.10510	3.4
111.08020	3.3
116.04919	2.4
117.06979	13.2
119.08561	90.9
120.08873	5.9
120.83705	2.5
121.06489	6.0
121.10127	65.9
122.10470	3.8
123.08051	10.4
123.11662	16.8
129.06958	5.5
131.08528	32.5
132.08830	2.9
133.06462	4.5
133.10109	57.9
134.10451	3.1
135.08002	13.5
135.11670	61.2
136.12051	3.6
137.09570	11.3
137.13245	10.2
142.07761	3.1
143.08521	15.8
145.06488	2.8
145.10110	48.5
146.10437	5.6
147.07967	3.1
147.11668	45.8
148.12064	3.2
149.09496	3.6
149.13214	19.2
151.11150	5.4
153.09116	2.3
155.08496	5.4
156.09349	8.8
157.10052	22.6
159.11646	35.0
161.09587	6.1
161.13239	38.5
163.11116	3.4
163.14780	19.8
164.15077	5.2
169.10060	13.0
171.11638	30.7
172.12125	2.8
173.09602	9.7
173.13196	30.5
174.13504	2.9
175.11160	12.6
175.14789	22.1
177.12689	5.0
177.16333	4.8
183.11682	3.8
185.13203	19.3
187.11115	4.7
187.14778	27.6
189.12700	16.7
189.16321	40.0
191.14268	3.5
191.17868	12.4
197.13202	3.3
199.11128	4.4
199.14746	10.7
201.12781	3.2
201.16385	20.8
202.16681	3.5
203.14243	10.4
203.17952	11.4
205.15942	3.2
207.11484	2.8
207.17403	23.6
209.13132	4.5
211.14862	5.8
213.12794	5.3
213.16331	11.2
214.16881	2.9
215.17909	14.6
216.18266	5.2
217.12158	52.7
217.15863	3.0
217.19472	2.8
220.38855	3.0
225.16298	4.8
227.14197	2.9
227.17897	5.0
229.19475	12.0
231.13692	10.9
231.17319	3.5
239.17906	9.8
241.19394	3.9
243.17342	5.2
249.14767	12.6
259.16727	3.2
269.22333	2.6
271.20517	2.9
285.18246	3.5
393.31177	5.8
403.29715	5.0
411.32382	16.0
421.30804	23.4
427.32376	3.9
438.34186	4.4
439.31528	44.7
456.34979	3.2
457.25385	21.4
457.32925	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43729	1.3
51.92986	1.1
55.05505	19.3
57.07079	13.0
59.04973	1.5
64.06114	1.3
66.51146	1.7
67.05499	17.7
69.07050	26.6
71.04952	2.6
71.08642	2.1
76.55767	1.9
77.30276	1.5
79.05481	11.8
81.07043	39.7
82.69598	1.4
83.08601	13.5
85.06522	3.9
91.05450	22.9
92.08676	6.2
92.09303	6.0
93.07022	42.7
95.04945	2.2
95.08592	85.3
95.42976	1.6
97.06474	2.8
105.07019	44.3
107.08583	100.0
109.06470	3.6
109.10148	48.2
111.08051	3.7
117.07009	7.1
119.08566	94.6
121.06457	2.0
121.10126	87.7
123.08018	3.2
123.11696	24.5
125.09594	3.4
129.06927	7.1
130.07750	2.0
131.08553	63.8
133.10117	50.5
135.08047	3.2
135.11688	34.0
137.13260	14.1
139.07541	2.5
143.08517	12.9
144.09389	2.4
145.10109	73.0
147.11664	26.5
149.09604	6.7
149.13260	17.8
151.07509	2.2
151.14766	3.0
153.09084	14.9
156.09331	1.8
157.10106	18.4
158.10925	2.5
159.11674	42.9
159.58597	1.8
161.13203	19.3
163.07489	2.2
163.11171	3.6
163.14786	26.2
167.10632	8.1
169.10068	2.2
171.11647	18.0
172.12444	2.4
173.13190	26.7
175.11153	2.0
175.14738	16.1
177.08986	3.1
177.16341	8.8
181.10152	1.8
181.12170	3.8
183.11639	2.5
185.13271	14.2
187.11217	1.9
187.14801	96.9
189.16383	25.0
191.17900	7.7
195.11722	1.9
199.14763	9.3
201.12738	3.3
201.16345	47.0
203.14250	3.2
203.17953	15.4
205.15800	3.3
209.15355	2.6
211.14778	2.7
213.16383	11.4
215.17990	13.0
217.15848	3.4
217.19339	2.2
219.17361	7.6
223.16916	7.2
227.17908	10.0
228.18633	2.9
229.19423	9.6
235.16830	3.7
237.16393	2.3
241.19479	7.6
243.20877	2.5
245.15268	2.2
247.16815	2.9
255.21057	11.9
269.22479	3.0
305.22421	2.3
309.25900	1.9
323.23868	2.0
351.30447	7.0
375.30289	6.4
393.31485	30.4
397.30856	7.0
411.32480	86.0
421.30579	6.4
439.31421	3.1
457.32269	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	457.3308
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
55.05502	4.1
57.07068	1.2
58.61176	0.9
66.85926	1.1
67.05479	9.7
69.07050	7.7
71.04996	1.3
72.99534	1.1
79.05479	5.9
81.07034	21.0
83.08604	4.0
91.05460	5.2
92.08636	1.1
93.07031	17.0
95.04942	1.6
95.08579	23.5
97.06509	1.9
97.10112	1.1
105.07021	14.4
107.08573	24.9
109.10134	15.5
111.08092	1.5
119.08564	25.2
121.06464	1.3
121.10126	17.9
123.08051	2.4
123.11692	8.4
129.07007	1.9
131.08569	6.0
133.06514	1.7
133.10114	13.6
135.08046	1.3
135.11679	11.5
143.08559	6.7
145.06502	1.3
145.10152	10.8
147.08035	1.9
147.11685	10.7
149.13268	4.9
157.10133	8.1
159.08046	1.8
159.11653	9.3
161.09630	2.0
161.13216	21.8
163.14801	2.4
169.10080	8.0
171.11696	4.7
173.09502	1.7
173.13237	8.3
175.11188	1.2
175.14870	7.2
177.12766	1.3
177.16364	1.7
183.11678	4.4
185.13214	4.2
187.14821	5.3
189.12732	1.9
189.16411	4.9
191.17946	4.1
195.11740	1.2
197.13229	2.1
201.16423	2.1
203.14264	9.7
203.18004	4.0
205.15849	1.5
207.17451	1.6
211.14827	1.9
213.16364	2.0
215.14313	2.1
215.18001	4.3
221.15329	2.2
225.16336	1.4
227.17926	1.3
229.15889	4.6
229.19499	2.5
231.17393	1.9
239.17915	2.5
241.19481	1.5
243.17387	1.4
249.14790	15.3
253.19534	1.5
257.18961	5.9
271.20728	1.4
375.30472	1.7
380.92142	1.1
393.05511	1.2
393.31375	5.9
411.32718	4.2
421.31094	1.2
439.31998	2.4
451.54172	1.0
457.33063	100.0
458.33426	2.5
479.59518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3308
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
55.05487	8.3
57.07061	2.3
58.80049	1.6
59.04965	1.6
67.05481	11.6
69.07057	17.4
71.15981	1.7
76.71648	1.6
78.05547	1.5
79.02846	1.7
79.05470	11.1
81.07033	19.5
83.04967	2.5
83.08583	3.6
91.05437	21.6
92.09359	4.3
93.07014	29.2
95.04943	2.4
95.08572	36.2
105.06345	3.2
105.07009	42.4
107.08567	45.2
109.10139	19.4
117.06967	4.5
119.08547	56.9
121.06457	2.5
121.10105	29.6
123.11658	12.2
125.05908	1.8
125.09604	2.3
125.34116	1.6
129.07002	3.8
131.08534	25.1
131.61975	1.9
133.06551	2.4
133.10094	44.8
135.08049	4.1
135.11664	31.1
136.63269	1.9
143.08560	12.0
145.10078	23.5
147.08058	3.2
147.11644	26.1
149.13206	4.0
155.08574	3.3
156.09305	8.0
157.10112	10.7
159.08003	8.8
159.11650	15.7
161.05956	3.2
161.09598	7.2
161.13179	7.1
163.07504	4.4
163.14668	2.3
169.10098	2.7
171.11664	22.4
173.09587	3.3
173.13261	11.2
175.07513	3.4
175.11177	3.7
175.14806	7.6
177.09077	3.3
183.11638	2.9
185.13251	9.1
187.11124	2.3
187.14764	10.9
189.09148	3.2
189.12744	8.8
189.16335	100.0
191.17899	37.8
192.12508	1.9
193.12135	2.4
199.11145	7.2
199.14821	2.9
201.12746	2.6
201.16373	8.1
203.17885	2.1
207.17442	17.5
211.14728	2.3
213.16309	3.5
215.14421	2.0
215.17735	3.4
217.12212	33.3
229.12201	2.3
231.13692	7.8
241.15881	2.2
375.30478	2.0
389.26572	7.2
403.29718	10.5
411.32666	2.5
421.31018	56.8
439.31937	90.7
457.33621	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	457.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51243	0.3
53.00301	0.6
53.03936	0.5
55.05307	0.4
55.05505	6.6
56.05821	0.6
57.03429	4.4
59.04989	0.7
61.02905	0.7
67.05489	9.9
69.03067	0.8
69.03412	14.5
69.07047	0.6
70.03719	0.6
70.70073	0.4
71.04974	39.1
73.02902	0.4
73.65237	0.3
73.67181	0.4
79.05442	0.6
81.03410	0.6
81.07035	4.9
82.07373	1.0
83.04943	0.5
83.08609	7.1
84.08928	0.7
85.02892	9.2
85.06533	3.4
87.04448	6.3
92.09304	0.6
92.30292	0.4
94.01608	0.4
94.06544	0.5
97.02867	8.9
97.06519	0.5
99.08076	10.2
100.08395	2.7
100.67235	0.5
100.85226	0.4
101.09650	0.7
109.02892	0.8
109.06495	1.0
109.10137	10.3
110.06038	0.6
111.04369	0.4
115.03908	6.0
115.07532	0.5
122.05989	5.7
127.03889	0.5
127.07526	19.4
127.11165	100.0
128.07854	9.4
128.11533	0.5
133.04912	3.3
145.05019	0.6
145.08556	11.7
145.12218	27.6
146.08926	4.8
149.16232	0.4
150.05467	2.2
163.03883	0.9
163.13246	12.2
183.90541	0.4
259.10675	0.5
269.52621	0.4
307.13892	0.7
308.14218	0.9
429.95529	0.5
439.11343	3.3
457.12381	4.0
463.25775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10990	0.4
52.61695	0.4
54.07738	0.4
55.05492	1.9
57.07068	0.6
67.05492	3.4
69.07044	3.7
79.05460	2.9
81.07033	5.4
83.08610	1.0
85.06513	0.4
91.05442	3.5
93.07006	6.7
95.08586	9.1
96.08892	1.0
97.10139	0.7
105.06996	6.1
106.07317	0.6
107.08560	7.9
108.08900	1.0
109.06487	0.9
109.10142	4.1
110.10441	0.7
112.26734	0.5
117.06985	1.8
119.08546	7.1
120.08858	0.6
121.06479	0.7
121.10126	5.7
122.10447	0.8
123.08056	1.9
123.11698	2.4
131.08522	3.1
132.08830	0.5
133.10088	5.9
135.11668	4.5
136.12001	1.0
137.09550	0.7
141.82375	0.5
143.08493	2.2
145.10115	3.5
146.10428	0.5
147.11674	3.4
149.13225	1.1
150.13538	0.6
151.07628	0.5
157.10069	2.3
158.10573	0.6
159.11674	3.0
161.13205	2.6
163.14781	1.0
169.10167	0.5
170.63499	0.5
171.11662	1.1
173.13211	2.1
175.11180	0.8
175.14806	0.7
176.15121	0.7
183.11620	0.8
185.13150	1.2
187.03586	7.4
187.14781	2.5
189.12807	0.6
189.16405	1.1
190.16745	0.6
197.13298	1.9
199.14795	0.9
201.16367	1.1
207.17397	0.6
211.14708	0.5
213.16356	0.8
215.17955	2.1
216.18210	1.0
230.19783	1.0
239.17918	0.7
239.81723	0.5
253.19498	0.7
293.20834	11.9
301.21585	0.6
311.20804	0.7
329.21680	0.9
410.34967	0.6
421.30728	0.7
438.34497	0.6
439.31906	2.6
456.35745	0.9
457.25497	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	456.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
53.04916	1.7
55.01867	9.1
55.05263	3.7
55.05504	56.8
57.07066	5.1
60.07544	1.9
60.19438	1.8
65.03913	2.6
67.05489	83.5
67.57578	2.3
69.03384	2.5
69.07052	42.3
71.08615	2.3
79.05473	75.9
81.07037	100.0
83.04964	4.2
83.08591	30.0
90.67661	2.4
91.05470	21.0
93.07024	36.0
95.08583	72.0
97.06522	4.1
97.10149	34.7
104.82633	3.1
105.07019	15.3
107.08571	38.8
109.06477	2.8
109.10134	33.5
111.08056	5.8
117.06982	3.4
119.08563	16.6
121.10102	25.2
123.08060	4.3
123.11703	9.6
125.09608	32.4
131.08533	11.1
133.10132	13.7
135.11671	12.8
137.13206	3.7
143.10670	4.9
145.10117	10.5
147.11665	10.7
149.02361	3.7
149.13303	5.4
159.11708	5.2
160.93114	3.0
161.13255	2.7
163.14809	2.9
173.13228	4.2
175.14861	4.0
187.14825	3.0
243.20988	9.8
261.22031	23.5
279.23206	30.8
297.24109	9.9
385.30862	21.7
403.32019	33.5
421.32901	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	457.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.7
55.05500	5.8
56.05824	1.0
57.03439	4.0
57.07069	0.5
59.04974	0.9
67.05488	7.2
69.03414	10.1
69.07043	0.4
71.04976	38.1
79.05453	0.5
81.03412	0.8
81.07036	4.5
83.08597	5.6
84.08944	0.6
85.02893	11.0
85.06535	3.8
87.04453	6.3
97.02869	8.0
99.07473	0.6
99.08077	9.9
100.08403	2.0
109.06487	1.9
109.10142	9.9
110.06036	0.6
111.02604	0.6
115.03905	5.8
122.05994	4.1
127.03883	1.0
127.07523	16.0
127.11169	100.0
128.07866	7.5
133.04944	5.7
137.41243	0.5
145.04828	0.6
145.08563	10.2
145.12221	26.0
146.08881	4.8
150.05511	0.7
153.76529	0.4
163.03886	3.7
163.13263	12.0
164.90228	0.6
174.01299	0.4
186.87006	0.5
232.36661	0.5
249.37514	0.4
317.25870	0.5
387.22980	0.5
439.11646	2.8
457.12616	4.5
466.49924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
54.81907	0.4
55.01846	0.7
55.05489	2.3
57.03428	8.2
58.94863	0.4
59.04979	2.2
60.04486	0.5
61.02905	2.7
69.03412	17.4
69.07072	0.5
71.04961	1.0
71.08614	5.4
73.02873	0.8
79.05468	3.6
81.03381	1.8
81.07033	22.7
83.08594	0.8
83.47073	0.4
85.02885	33.0
85.06518	3.8
87.04448	8.0
91.03931	0.6
92.08779	0.6
94.09573	0.4
97.02262	0.7
97.02864	14.5
99.04400	0.7
99.08064	10.6
109.02872	1.8
109.06500	33.7
115.03905	6.7
127.03920	4.6
127.07524	48.1
133.04926	4.5
145.04956	4.4
145.08571	100.0
150.07651	0.8
163.05965	2.4
163.09734	0.5
193.11664	0.4
223.01845	0.5
226.56883	0.5
230.06311	0.4
283.17880	0.5
283.81314	0.5
307.13812	8.3
323.35403	0.5
415.76239	0.5
441.25372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61272	0.5
53.00309	0.6
54.28496	0.5
54.37467	0.4
54.79796	0.4
55.01864	0.7
55.05503	6.3
56.47701	0.4
57.03430	22.8
57.07066	3.8
58.99459	0.4
59.04988	3.8
65.03941	0.4
67.05497	5.0
68.38084	0.5
69.03416	43.2
69.07061	4.9
71.04979	20.0
73.02907	0.7
73.06552	2.3
75.04459	2.0
75.69816	0.4
77.07822	0.6
81.03409	1.2
81.07041	2.3
83.08606	10.8
85.02890	32.6
85.06528	5.3
85.10135	0.4
87.04451	27.8
87.08067	0.7
92.64023	0.6
93.07143	0.5
97.02872	31.1
97.10152	2.6
99.04436	1.0
109.02886	0.9
109.10143	20.5
115.03918	27.9
127.03902	2.8
127.11169	100.0
133.04941	23.5
133.05923	0.9
145.04926	2.5
145.12221	95.2
146.12555	0.5
181.04936	5.7
182.05270	4.1
188.09364	0.5
259.08112	1.0
277.16565	0.8
295.10318	0.8
307.17593	0.8
391.60736	0.6
456.13315	0.9
467.47800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.9
53.50838	0.6
54.81613	0.8
55.01859	1.0
57.03431	34.5
57.07065	2.9
58.47417	0.6
59.04996	6.7
59.35975	0.6
59.73933	0.6
60.04517	1.3
61.02897	1.6
67.05490	1.0
69.03416	100.0
70.84418	0.8
71.01330	0.7
71.05030	0.7
71.14379	0.6
73.02901	3.9
75.04452	4.7
75.41330	0.7
81.03398	4.5
81.07018	1.1
85.02893	81.9
87.04454	65.9
91.03951	1.5
91.14677	0.7
92.08960	3.6
92.90496	0.7
97.02874	75.2
99.04415	1.6
101.02378	0.8
109.02850	3.1
109.10172	6.1
115.03913	74.0
127.03902	9.1
127.11164	3.0
133.04950	69.3
139.03979	0.8
144.06587	0.9
145.04944	11.1
150.07558	5.6
162.07561	1.0
163.05946	3.0
168.57648	0.9
241.07024	1.3
259.08035	3.6
259.15564	1.4
277.09332	1.2
289.16364	4.3
295.10025	1.8
309.70615	0.9
316.05099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
53.03940	0.6
55.01858	0.9
55.05493	1.0
56.00771	0.5
57.03429	37.7
57.07066	12.0
59.04992	7.7
60.01276	0.5
60.04504	2.5
61.02906	2.8
65.05721	0.6
69.03417	100.0
69.07051	0.9
71.04960	0.6
73.02900	3.6
75.04465	5.6
76.56050	0.6
81.03393	3.3
83.04963	1.0
85.02891	79.1
87.04453	65.0
91.03955	0.9
92.08849	5.9
93.07005	0.8
95.08571	1.5
97.02872	74.6
98.85413	0.6
99.04415	2.5
99.11722	1.0
100.07063	0.6
100.11256	0.8
101.32738	0.7
103.03896	0.8
107.08579	0.9
109.02845	2.5
109.10141	3.1
115.03912	65.7
117.04695	0.7
117.58871	0.6
121.10129	1.3
127.03910	9.3
127.11165	1.4
133.04939	60.9
139.03911	0.8
144.06523	1.4
145.04944	11.0
145.12213	6.4
150.07597	4.9
162.07582	0.7
163.05885	1.4
169.04871	1.5
180.08624	1.2
259.08304	2.1
259.15485	1.1
277.09088	1.0
289.16385	6.5
295.10287	0.9
307.17514	0.7
312.12775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05498	14.9
57.07080	5.3
67.05490	34.2
69.07056	33.5
79.05481	22.2
81.07036	60.8
83.08591	7.8
91.05450	31.8
93.07013	62.2
95.08590	96.8
95.90305	3.8
97.10113	4.2
99.08022	3.7
105.07033	48.4
107.08579	95.6
109.06514	7.2
109.09455	3.9
109.10155	45.8
111.08062	4.3
117.06996	8.6
119.08566	100.0
121.10120	63.3
123.08020	4.6
123.11678	23.7
124.91371	3.7
131.08549	34.3
133.10103	49.0
135.07999	6.3
135.11655	48.9
137.09663	4.2
137.13223	7.5
143.08534	19.2
145.10097	46.4
147.11674	45.4
149.09618	4.3
149.13217	26.2
154.76254	3.7
155.08533	5.6
157.10112	18.2
159.11696	40.3
161.09589	6.3
161.13214	31.1
163.11208	4.0
163.14778	27.1
169.10059	5.6
171.11661	24.1
173.13251	22.1
175.14807	27.7
177.16353	8.3
183.11591	12.8
185.13229	18.0
187.11179	6.1
187.14827	25.0
189.16331	43.4
191.17911	16.4
197.13220	16.6
199.14853	7.0
201.12573	4.1
201.16364	24.2
203.17944	19.5
206.89297	4.1
207.17429	13.0
213.16373	15.2
215.17915	18.3
225.16327	6.5
227.17963	4.6
229.15843	4.8
229.19484	13.4
231.17456	4.3
239.17865	5.3
241.19420	4.4
267.20779	4.0
287.20004	4.5
312.18695	4.2
391.33463	13.4
395.22748	13.6
409.34747	26.8
437.34552	42.3
449.84378	4.2
455.35773	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	45.1
66.37027	0.2
69.03416	1.9
69.07048	0.7
79.05452	2.2
81.07040	18.3
83.60715	0.3
84.08250	0.3
84.79474	0.2
85.02905	3.7
85.06529	26.2
87.04456	0.3
97.02860	2.3
97.06498	1.3
98.14427	0.3
99.08066	0.6
103.30711	0.3
109.06503	23.2
109.76644	0.3
115.03851	0.4
115.07533	4.1
119.50674	0.4
127.07531	100.0
130.24202	0.3
137.39717	0.3
139.87625	0.4
145.08583	62.1
307.13806	7.5
356.42377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05506	14.4
55.59471	1.5
57.07059	7.5
61.36996	1.3
63.81589	1.7
64.32978	1.8
65.90306	1.6
67.05497	17.9
69.07054	25.2
69.86922	1.5
74.98129	1.5
77.46827	1.5
79.05483	16.3
81.07036	43.8
83.08596	9.7
88.15163	1.7
91.05468	20.8
92.30872	1.8
93.07023	37.5
95.05006	2.0
95.08589	76.4
97.10144	4.2
105.07020	50.1
106.39564	1.7
107.08582	79.2
108.98673	1.7
109.06539	1.6
109.10152	37.6
111.02539	1.7
111.08037	6.9
113.36252	1.6
117.07033	8.0
119.08565	100.0
120.18508	1.7
121.09262	2.7
121.10123	48.8
123.07993	2.1
123.11674	17.0
131.08563	22.8
133.10117	89.1
135.11661	34.2
137.13281	2.7
143.08601	2.6
145.10117	42.5
147.11671	62.6
149.13246	16.4
151.11171	6.6
157.10100	3.5
159.11665	37.4
161.13239	35.2
163.07469	2.2
163.14830	17.7
171.11700	9.0
173.13242	23.9
175.14757	23.5
177.09143	7.5
177.16364	11.6
179.14299	9.2
185.13263	6.6
187.14792	20.6
189.16364	65.0
191.17958	17.0
199.14796	3.9
201.16364	60.9
203.17938	71.2
207.17415	11.0
213.16344	2.9
215.17935	20.0
217.19525	7.1
219.17320	3.0
221.18921	8.9
227.17874	3.2
229.15968	2.2
229.19362	20.7
231.20976	3.7
235.16969	8.2
241.19481	6.6
243.21040	10.2
247.16939	30.4
255.21069	10.8
261.18546	2.4
269.22653	2.5
275.20044	2.6
287.20163	2.9
301.21533	2.2
326.83038	2.0
391.33459	10.4
409.34515	19.6
419.33344	2.3
437.34091	51.1
455.35410	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	19.1
57.07063	3.7
67.05495	24.6
69.07052	26.9
70.37374	1.3
79.05465	16.7
81.07037	59.3
83.08608	9.1
91.05460	13.7
93.07014	46.1
95.04982	1.6
95.08582	100.0
97.10132	5.3
105.06348	3.0
105.07007	45.0
107.07858	3.0
107.08571	75.6
109.06472	3.3
109.09398	1.4
109.10141	48.8
111.08067	54.7
117.06971	6.3
119.08557	65.8
121.10114	51.3
123.08018	1.7
123.11686	21.2
129.06963	2.9
130.07690	1.5
131.08530	18.3
133.10103	47.9
135.11650	29.2
137.13220	7.3
139.11104	3.6
143.08511	10.2
145.10104	28.6
147.11668	36.8
149.13223	29.3
151.11234	2.0
157.10106	10.0
159.08028	1.7
159.11644	26.6
160.12419	2.7
161.13210	31.0
163.14781	34.2
171.11687	8.4
173.13205	18.9
175.14792	20.3
177.16367	20.4
185.13214	2.6
187.14761	15.1
189.16342	43.3
191.17860	9.8
197.13205	1.6
199.11238	2.0
199.14824	7.6
201.16342	31.3
203.17937	31.7
205.15804	3.5
205.19449	1.7
207.17444	5.1
213.16339	10.1
215.17949	19.6
219.17372	5.8
221.18959	3.6
227.17934	3.5
231.17532	2.8
243.21048	7.1
247.16901	2.7
255.20949	2.1
259.17087	1.6
261.18524	3.2
295.23944	1.7
391.33862	2.5
397.30743	2.0
409.34735	24.2
412.24948	1.6
425.34183	7.0
437.34320	21.5
455.35001	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	455.3517
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03940	1.4
55.05499	14.9
57.07058	6.9
67.05491	20.2
69.07053	21.6
73.53522	1.5
79.05463	12.6
81.07040	47.6
83.08601	13.9
87.10287	1.8
91.05451	11.4
91.85710	1.7
92.09188	7.3
93.07027	30.9
95.08007	3.0
95.08586	79.3
97.10158	3.4
105.07008	29.4
107.08574	62.5
109.10150	40.9
111.08033	2.5
111.11797	1.9
112.74615	1.7
117.06995	3.7
119.08557	100.0
119.75776	1.7
121.10119	39.1
123.11702	19.2
131.08521	15.7
133.10104	29.8
134.89198	1.7
135.11679	25.1
137.13229	10.0
143.08517	3.7
145.10101	47.0
147.11693	20.2
149.13249	14.4
151.07574	1.9
157.10110	7.9
159.07986	2.7
159.11662	30.0
161.13235	19.8
163.07484	15.4
163.14751	14.6
169.10083	2.2
170.10893	1.7
171.11626	9.5
173.13193	23.9
175.14775	13.6
177.09064	1.7
177.16373	3.4
185.13203	8.6
187.14772	43.4
189.16339	15.0
191.17926	32.6
197.13266	3.3
199.14769	7.5
201.16335	32.4
202.22487	2.0
203.17937	21.0
205.19394	2.8
205.96700	1.9
213.16386	9.6
215.17989	3.1
217.19411	1.9
229.15775	2.4
229.19493	7.3
230.71986	2.0
233.15483	3.0
247.16864	10.2
259.16788	2.8
269.22482	2.3
320.84354	1.8
335.26550	1.8
354.30627	2.2
391.33609	8.1
409.34674	19.6
437.34161	30.8
455.35568	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	455.3517
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03943	2.2
55.05500	15.6
57.07057	8.9
67.05499	24.9
69.07053	30.1
69.33147	1.9
71.08612	1.8
79.05461	22.5
81.06588	3.7
81.07036	61.6
82.88374	1.8
83.08602	11.3
91.05475	19.5
93.07021	60.9
95.08582	92.9
95.09195	3.3
97.06512	2.0
97.10143	3.2
105.07011	51.5
107.08578	100.0
109.10152	49.7
111.08078	2.3
117.06981	8.7
118.16602	2.2
119.08560	91.8
121.10122	60.9
123.11686	21.7
125.05915	2.0
129.06976	4.5
131.08551	32.2
133.10106	62.0
135.11668	53.4
137.13200	10.7
141.50220	2.0
143.08562	10.1
145.10104	47.0
147.11674	37.4
149.13251	26.3
151.14822	2.1
157.10110	12.8
159.11664	47.0
161.13248	42.2
163.14777	49.3
169.10103	4.1
171.11623	22.5
173.13232	33.0
175.14798	29.9
177.12611	2.8
177.16330	11.4
179.14270	2.6
183.11601	3.8
185.13206	17.9
186.13756	2.3
187.14757	25.5
189.16299	20.3
191.17937	9.2
197.13277	3.2
199.14784	12.3
201.16353	25.8
203.17940	17.8
211.14757	4.0
213.16354	8.4
215.17903	55.0
217.19415	3.8
221.43457	1.9
225.16273	2.5
227.17897	10.7
229.19467	35.6
233.15292	3.2
239.17871	16.5
241.19479	27.8
243.21025	10.6
247.16858	4.6
253.19514	3.7
255.21016	17.7
261.18497	18.1
267.21002	5.0
269.22556	11.7
275.19873	7.6
285.18207	2.7
287.19965	12.6
289.21829	2.5
295.23959	2.5
301.21616	7.3
313.21597	8.4
314.27798	4.5
315.23007	8.4
391.33612	15.7
409.34741	40.2
419.32706	10.0
422.31775	3.8
437.28528	4.4
437.34113	69.9
455.35229	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	455.3518
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
51.82464	1.2
52.72416	1.4
53.59570	1.2
53.60867	1.3
55.05507	7.8
58.51154	1.3
60.12344	1.4
67.05505	9.7
69.07035	13.0
73.11758	1.5
79.05495	11.2
81.07034	23.5
83.08631	7.2
91.05495	8.6
92.09333	4.2
93.07042	20.7
95.04976	3.2
95.08591	32.0
97.06518	2.0
97.10201	1.8
105.07003	21.3
105.07542	1.4
107.08583	29.9
107.09203	2.3
109.10150	23.6
117.06989	2.3
119.08565	36.0
121.10142	17.4
123.08060	2.7
123.11744	8.8
125.05995	10.2
131.08592	7.5
133.10104	31.6
135.08087	2.7
135.11681	30.9
137.09674	1.6
139.07555	2.8
143.08612	6.1
145.10095	17.0
147.11664	20.3
149.09691	1.5
149.13277	2.4
157.10117	3.3
159.08092	2.4
159.11653	13.0
161.09647	2.6
161.13257	10.9
163.14835	8.3
169.10240	1.7
171.11728	3.3
173.09528	12.3
173.13287	6.8
175.11237	5.8
175.14850	3.6
177.09155	7.2
185.13309	6.0
187.11127	12.4
187.14804	17.4
189.12750	1.7
189.16353	43.9
189.17905	2.4
191.10715	6.7
197.13278	6.6
201.16414	1.9
203.17989	3.2
205.15918	3.5
207.17426	48.9
207.19351	1.8
211.14850	3.0
213.16350	2.3
215.14302	17.2
215.17914	3.5
229.15855	76.5
229.19392	3.2
231.17365	11.2
233.15370	25.7
241.19565	2.3
243.17384	5.7
247.16931	30.2
248.43053	1.8
257.19217	2.2
269.19165	1.9
283.20557	2.2
315.23358	1.9
391.33820	2.2
419.32925	3.0
437.34427	26.5
455.35300	100.0
477.40878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.31091	2.6
55.05496	14.9
67.05489	17.1
69.07054	30.8
73.57877	2.7
79.05480	24.9
81.07036	47.6
83.08598	10.5
91.05457	14.8
93.07012	49.0
95.08593	77.2
105.07003	42.9
107.08573	100.0
109.10144	47.6
111.11685	3.0
112.50765	3.1
117.06973	5.7
119.08552	78.8
121.10118	61.9
123.07983	3.3
123.11700	20.5
123.67760	3.0
129.07016	3.3
131.08586	22.5
133.10114	53.1
135.11681	42.1
137.13246	3.4
143.08556	4.3
145.10083	41.0
147.11684	35.2
149.13246	25.6
153.09077	3.9
157.10118	16.4
159.11661	38.4
161.13235	38.6
163.11098	15.8
163.14818	29.2
169.10149	4.2
171.11635	22.2
173.13211	31.4
175.14809	25.6
177.16354	17.4
179.14320	4.1
185.13190	12.6
187.14777	26.3
189.16327	24.1
199.14848	11.9
200.14677	2.9
201.16391	23.7
203.17917	24.8
205.15852	36.5
209.16032	2.7
213.16341	4.9
215.17929	52.6
227.17848	9.8
229.19524	20.7
233.15132	3.2
239.17886	15.2
241.19521	23.1
243.21016	4.6
247.16884	3.4
253.19856	2.7
255.20950	13.0
257.22296	3.1
261.18408	10.2
267.20898	3.6
275.20105	3.5
287.19983	11.3
295.24130	5.4
301.21591	4.1
313.21640	3.4
391.33493	13.6
409.34567	45.6
437.34406	54.2
455.35504	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
51.74442	1.6
53.69193	1.4
54.64688	1.6
55.05500	15.5
57.03409	2.0
57.07056	2.7
63.90581	1.5
67.05495	17.2
69.07050	23.0
79.05465	21.3
81.06604	2.5
81.07038	49.8
83.08597	12.7
91.05463	18.7
92.08714	2.3
93.07027	49.8
95.08584	70.9
95.09196	2.8
97.10162	2.1
105.07002	38.4
107.08574	100.0
109.10143	46.0
117.06975	7.1
119.08559	66.4
121.10119	53.1
123.08049	3.5
123.11702	24.8
129.07011	4.0
131.08502	19.7
133.10098	49.5
135.11668	42.2
137.13203	8.7
143.08537	12.2
144.09430	2.1
145.10107	37.7
147.11653	32.5
149.13249	20.3
153.09077	2.7
157.10094	16.4
159.11667	35.0
161.13231	24.8
163.13429	2.1
163.14780	47.1
169.09995	2.5
171.11652	20.1
173.13194	26.9
175.14813	20.5
177.16338	3.1
183.11681	3.6
185.13176	15.1
187.14732	17.9
189.16318	11.0
191.17897	4.5
197.13174	2.8
199.14751	11.7
201.16319	20.8
203.17946	9.4
207.64343	2.4
211.14723	2.1
213.16299	9.7
215.17924	55.9
217.19518	3.0
225.16321	7.0
227.17906	12.5
229.19434	25.2
239.17899	9.3
241.19415	21.4
243.21098	12.2
253.19402	3.8
255.21069	11.7
261.18472	17.3
267.21222	2.0
269.22540	9.0
275.20038	4.1
287.19977	11.4
295.24194	7.4
299.20068	3.3
301.21713	4.1
313.00110	2.1
313.21579	3.0
315.23062	3.4
341.24817	2.5
381.72772	1.9
391.33487	10.9
398.64859	1.9
409.34726	31.4
419.32996	2.9
437.33981	49.1
455.35110	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
52.79945	1.6
53.03932	2.1
54.81733	2.1
55.05497	18.5
57.07056	4.4
63.15376	1.6
66.94774	1.7
66.95148	1.7
67.05480	19.7
69.07057	28.4
79.05472	22.2
81.06597	3.3
81.07043	67.4
83.08591	11.1
91.05455	21.1
93.07024	57.5
95.08002	4.1
95.08582	81.8
97.10157	2.6
105.07019	45.9
107.08580	100.0
109.10135	46.9
111.08051	2.0
114.72860	2.2
117.06966	10.6
119.08561	76.2
121.10120	65.3
123.11647	24.2
125.09605	2.8
129.06902	4.2
131.08562	28.2
133.10100	54.0
134.08147	2.1
135.11676	44.0
137.13237	10.1
143.08546	10.7
145.10100	44.4
147.11665	37.3
149.13219	20.4
151.07480	2.6
153.09106	3.8
155.08507	2.3
157.10126	19.2
159.11656	49.3
161.13219	32.4
163.14778	56.6
169.10054	3.8
171.11636	25.5
173.13234	32.7
175.14740	24.8
177.16371	4.3
183.11684	4.6
185.13246	17.1
187.14835	21.4
189.16350	13.2
191.17938	4.1
197.13245	4.8
199.14725	16.0
201.16425	23.1
203.17911	15.0
211.14761	4.0
213.16328	11.6
215.17915	59.8
217.19405	2.1
218.37444	2.7
225.16428	2.0
227.17929	13.5
229.19452	27.3
239.17879	11.5
241.19518	17.6
243.21068	9.2
247.16891	2.7
247.20677	2.4
253.19545	4.8
255.20964	13.2
261.18448	18.3
267.21057	3.0
269.22562	10.5
275.19888	9.1
281.22781	3.1
287.20007	11.6
295.24094	4.4
299.19870	2.2
301.21582	3.8
313.21735	2.9
315.23114	7.9
341.24460	2.5
391.33438	12.2
409.34622	40.7
419.33160	4.0
437.28394	3.5
437.34067	55.1
455.35193	64.5
464.46091	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30115	0.9
55.05499	13.0
55.68200	1.0
55.70174	1.0
57.07066	2.5
67.05492	13.2
69.07051	19.1
79.05460	11.0
81.07034	26.1
83.08608	7.8
91.05460	12.2
92.09125	2.0
93.07030	29.7
95.08582	50.1
97.06563	1.7
97.10152	1.9
105.07016	31.2
107.08574	52.2
109.06506	1.4
109.10146	28.6
117.07068	1.8
119.08563	57.5
119.09389	2.6
121.10120	32.6
121.10966	1.5
123.08059	1.3
123.11681	9.8
129.07013	1.8
131.08556	16.6
133.10092	36.5
133.11018	1.8
135.11674	21.7
137.09630	1.4
137.13245	4.8
143.08554	6.2
144.09319	2.3
145.10086	24.0
147.11659	33.1
149.06091	1.4
149.13274	10.5
153.09148	2.2
155.08524	1.5
157.10098	9.1
159.11679	23.0
161.13211	20.9
163.14786	14.9
169.10112	1.7
171.11662	8.8
173.13210	17.0
175.14774	14.2
177.16391	5.7
179.14316	2.4
183.11736	2.7
185.13263	6.9
187.03654	2.8
187.14764	14.3
189.16319	26.4
191.17957	6.7
199.14803	6.0
201.16316	29.8
203.17909	18.6
205.15901	1.4
207.17465	6.1
213.16441	7.3
215.17870	13.6
217.19490	2.1
219.13844	1.6
227.18013	5.5
229.19498	18.4
231.21060	2.0
241.19467	12.1
243.20982	2.4
247.16946	5.4
255.21068	7.8
261.18509	4.3
275.20096	2.5
287.20090	9.2
291.19354	12.1
299.19989	1.3
301.21634	2.9
326.94104	1.4
335.25784	1.6
391.33627	6.0
409.34860	11.8
437.34119	22.3
455.23993	100.0
455.34900	14.7
456.24628	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61399	1.9
55.05509	21.2
57.07055	9.4
63.32304	1.8
67.05490	23.9
69.07051	22.6
69.26875	1.9
79.05467	20.6
81.07036	45.7
82.65449	2.0
83.08600	17.3
84.61927	2.3
91.05450	18.4
93.07011	45.2
95.04930	3.4
95.08576	87.4
96.69537	2.0
97.10129	3.8
105.07005	54.2
107.08571	96.7
109.06511	2.7
109.10138	47.9
111.08040	10.1
117.06995	4.4
119.08546	100.0
119.63570	2.4
121.10119	50.4
123.08012	5.0
123.11688	15.9
130.07716	2.2
130.57097	1.9
131.08534	26.3
133.10097	86.4
135.11656	41.0
137.13219	5.2
139.07550	2.1
143.08513	5.1
145.10083	48.2
147.10587	3.6
147.11667	67.0
149.13232	20.1
151.11174	5.0
153.09113	4.5
157.10085	12.6
159.11644	45.1
161.13206	46.4
163.07524	2.8
163.14752	25.3
165.09061	2.8
171.11621	10.8
172.12207	2.3
173.13216	29.6
175.14775	21.9
177.09088	9.2
177.16302	11.5
179.14253	8.6
185.13226	4.7
187.14749	18.9
189.16360	59.9
191.17874	12.3
193.15788	2.3
201.12730	5.3
201.16338	48.3
203.17912	60.6
207.17419	22.1
213.16327	9.7
215.17957	21.4
217.19467	2.9
219.17366	3.9
221.18954	10.2
227.17957	2.9
229.15883	7.0
229.19455	13.7
235.16936	4.5
241.19453	4.3
243.21002	13.0
247.16850	41.4
249.18405	4.6
255.21074	4.2
257.22369	2.4
261.18539	3.2
275.19885	4.8
289.21396	2.9
295.24188	3.6
391.33429	8.5
401.31482	2.5
409.34418	11.0
437.34113	32.1
455.24399	4.4
455.35916	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
51.02375	1.4
53.03919	2.8
55.05486	15.4
57.07058	3.6
57.77406	1.3
67.05491	21.0
69.07053	24.9
71.24960	1.4
79.05477	24.2
81.06590	3.1
81.07039	56.7
83.08595	16.2
91.05447	21.8
93.07021	56.0
95.04942	2.0
95.08578	91.2
97.06514	2.1
97.10159	4.2
97.88640	1.6
105.07000	41.5
107.08572	100.0
109.06538	3.1
109.10136	55.0
111.08073	2.0
117.07015	10.1
119.08553	72.8
121.10116	69.9
123.11678	22.4
129.07004	6.9
131.08531	27.4
133.10101	49.4
135.11658	48.7
137.13217	9.7
143.08524	15.5
145.10091	43.2
147.11665	33.3
149.13225	22.4
153.09117	2.4
155.08514	1.9
157.10097	19.7
159.11656	43.9
161.13208	30.1
163.07533	1.8
163.14772	48.8
169.10173	3.6
171.11684	26.9
173.13203	33.5
175.14786	19.1
177.16437	6.6
179.14291	2.4
183.11705	8.1
185.13272	15.2
187.11104	2.0
187.14796	23.5
189.16335	15.1
191.17899	4.2
197.13274	2.7
198.14096	2.1
199.14787	14.8
201.16328	27.1
203.17947	13.0
205.12260	1.6
211.14767	3.4
213.16393	10.0
215.17902	55.3
217.19444	2.8
225.16370	6.7
227.17900	15.6
229.19472	27.3
231.21028	3.2
239.17947	11.4
241.19437	19.3
243.21065	9.4
247.16891	4.0
247.20671	2.7
253.19461	2.9
255.21039	19.3
257.22577	2.1
261.18500	23.4
267.21045	3.3
269.22653	7.3
275.19940	3.6
281.22580	2.3
285.18631	3.9
287.20081	15.1
289.21436	2.0
291.19186	4.1
295.24277	3.3
297.22214	2.4
299.20035	2.7
301.21552	8.4
313.21567	6.5
315.23270	1.8
391.33560	13.8
401.31882	2.7
409.34698	39.9
419.33185	3.9
437.28491	2.5
437.34158	56.4
455.24014	89.0
455.35126	53.1
456.24002	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
50.83596	1.6
52.76492	1.5
55.05499	14.0
57.07060	8.9
57.21127	1.7
61.39182	1.6
66.10887	1.6
67.05493	27.0
69.07053	25.6
69.43928	1.7
75.28079	1.8
79.05473	20.8
81.07036	82.3
83.08606	9.5
91.05429	14.2
92.08615	3.3
92.09193	9.0
93.07027	40.6
95.08579	100.0
97.10139	3.5
105.07009	29.1
107.08572	55.0
109.06541	1.9
109.10136	57.2
111.11707	2.7
117.07004	4.9
119.08556	84.2
121.10120	44.2
123.11674	35.3
129.06999	3.5
131.08530	18.4
133.10094	41.7
134.76157	2.2
135.08034	2.4
135.11665	31.9
137.13235	25.1
143.08543	4.9
145.10081	41.5
145.58290	1.8
147.11662	29.2
149.13205	12.1
151.07478	2.4
151.14807	2.2
151.19669	2.2
155.08563	3.5
157.10190	15.3
159.11681	28.4
161.13182	22.5
163.07472	4.1
163.14760	24.2
169.10013	2.7
171.11652	15.9
173.13211	26.1
175.14746	11.7
177.16408	6.9
183.11649	4.5
185.13196	9.6
187.14775	34.6
189.16304	18.2
191.17931	27.8
197.13179	2.9
199.14839	13.9
201.16386	24.8
203.17975	16.2
211.14815	4.4
213.16298	18.8
215.17937	18.6
215.97606	2.3
217.19530	3.2
219.17436	2.7
221.00133	2.5
227.17905	3.8
229.15788	12.5
229.19420	9.2
233.15117	3.0
241.19476	8.1
243.21056	4.6
247.16870	9.0
255.21062	4.3
257.15216	4.9
261.18491	2.9
267.20792	2.6
269.22366	3.9
275.16354	8.7
287.19931	2.1
391.33481	11.1
409.34711	23.3
437.34021	35.4
455.35242	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	455.3518
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05502	3.3
57.07066	1.3
58.38459	0.5
62.49999	0.5
67.05494	6.4
69.03411	1.0
69.07051	6.5
79.05462	5.0
81.07037	13.0
81.93118	0.5
83.04966	7.1
83.08595	3.0
85.06564	0.7
87.96291	0.4
91.05453	4.6
93.07022	13.7
95.04943	2.7
95.08587	20.6
97.06500	1.3
97.10120	1.0
100.75784	0.5
105.07012	13.8
107.08576	20.1
107.09296	0.9
109.06505	1.3
109.10142	11.7
111.08043	1.0
115.52709	0.6
117.06998	1.2
119.08552	15.4
121.06492	1.3
121.10121	13.6
123.08080	1.1
123.11674	5.6
125.09650	0.9
129.06982	0.6
131.08519	4.4
133.10101	11.4
135.08055	3.2
135.11662	12.6
137.09572	0.9
137.13249	3.2
141.74376	0.5
143.08501	4.1
145.10107	7.6
147.11670	5.1
149.09584	4.4
149.13205	5.2
151.11240	0.8
155.08475	0.7
157.10052	4.3
159.11691	5.5
161.09615	3.3
161.13191	5.1
163.11172	0.6
163.14798	3.4
165.12733	0.6
169.10132	2.3
171.11659	2.4
173.09616	0.7
173.13202	4.9
175.11185	2.2
175.14766	8.7
177.12701	2.1
177.16325	6.0
183.11644	0.7
185.09552	1.1
185.13219	2.5
187.11127	0.6
187.14806	4.9
189.16348	7.8
191.14290	2.3
191.17902	3.9
197.13153	0.7
199.11078	0.6
199.14847	3.1
201.16357	7.4
203.14294	1.2
203.17941	2.3
209.13165	0.6
211.14854	0.9
213.16376	1.2
215.17993	0.7
217.15910	2.9
219.13753	0.8
219.17412	1.2
227.17894	0.7
229.15889	2.1
229.19579	0.6
235.16930	2.3
239.17805	0.7
241.19540	1.3
243.17427	2.1
243.21017	0.5
247.16911	2.1
255.21133	2.1
273.22052	1.0
275.20151	0.7
283.20486	0.8
301.21667	2.9
391.34299	0.8
409.34637	2.2
419.33206	2.0
437.34348	4.5
455.24100	6.6
455.35129	100.0
456.35757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
57.03430	2.0
62.40339	1.2
69.03416	5.1
69.07047	6.9
71.04973	1.9
81.03395	1.9
81.07027	2.4
83.04959	2.2
83.08596	1.6
85.02892	3.0
87.04487	1.4
89.03888	9.2
93.07014	1.9
94.09680	1.1
95.04983	1.4
95.08585	1.6
97.02859	7.2
99.04430	1.9
103.63015	1.2
105.07027	1.9
115.03907	2.7
117.03363	30.7
119.08617	1.4
124.14403	1.2
125.09584	1.7
134.03572	1.3
145.01677	2.4
145.02826	76.8
149.05963	12.4
177.05428	85.7
181.04845	1.7
205.85776	1.3
339.10803	1.5
376.74991	1.3
455.13037	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	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20715	0.9
55.05504	9.0
55.05727	1.0
57.07062	1.4
57.28362	1.0
67.05493	8.6
68.62653	1.0
69.07048	15.7
69.63116	0.9
70.71653	0.9
75.77943	1.0
79.05479	10.3
81.07046	22.9
83.08611	8.4
91.05464	7.3
92.08904	6.6
93.07024	21.1
95.08587	42.8
105.07018	24.4
107.08579	44.6
108.32185	1.1
109.06512	2.0
109.10133	22.0
117.07005	7.5
119.08559	61.1
119.09387	2.4
121.10121	31.5
123.11712	7.9
125.09615	1.4
131.08536	16.2
133.10110	51.1
135.11668	20.1
137.13272	1.9
143.08539	6.8
144.09297	1.8
145.10112	32.7
147.11665	39.8
149.09647	1.3
149.13225	8.3
153.09125	2.5
157.10139	6.1
158.10898	1.5
159.08051	2.2
159.11653	36.1
161.09537	1.1
161.13229	15.6
163.14767	18.8
165.12735	4.1
169.10147	4.5
171.11661	10.4
173.13242	19.6
175.14792	45.5
177.12863	1.2
177.16406	6.9
179.14258	1.8
183.11684	2.0
185.09589	2.1
185.13200	4.2
185.43369	1.1
187.14777	24.8
189.16356	58.0
191.18024	2.1
193.15819	12.6
195.11807	1.5
199.14751	4.9
201.16353	37.0
203.17920	16.8
203.76395	1.1
205.15834	1.7
207.17410	2.0
213.16389	5.2
215.17902	12.2
217.19681	1.2
219.17451	1.6
223.14737	1.1
225.16338	2.0
227.17967	6.0
229.19466	12.0
231.20999	1.4
239.17926	1.7
241.19507	1.8
243.21053	1.2
247.20541	4.3
255.17453	11.1
255.20987	6.1
261.18402	1.3
267.21088	1.4
291.19168	8.4
295.24503	1.5
301.17960	2.0
349.28992	2.0
391.33432	5.6
395.29568	4.2
409.34842	13.1
437.34225	45.2
455.23990	100.0
455.35657	12.8
456.24265	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	455.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29166	0.8
52.44220	0.9
62.65054	1.2
62.78042	1.1
74.22771	1.1
86.00707	1.1
92.08743	1.6
112.89538	2.2
179.49550	1.3
229.03151	2.0
231.08258	8.5
247.05965	75.0
292.01416	1.2
377.95331	1.3
436.92273	1.6
455.11548	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	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.81314	0.7
55.05499	6.5
57.03431	7.3
57.07065	38.4
59.14460	0.7
62.06073	22.2
67.05491	9.6
69.07048	7.4
69.91948	0.7
71.08612	21.8
79.05475	3.0
79.46540	0.6
79.80690	0.8
81.07034	13.0
83.08581	5.7
85.06507	0.7
85.10164	10.8
86.83195	0.8
89.05987	0.8
93.07004	5.7
95.08577	22.1
96.08936	0.7
97.10156	3.2
98.98438	9.0
105.06993	3.9
107.08556	6.2
108.08889	0.9
109.10120	8.7
119.08561	8.4
120.08868	1.1
121.10093	6.9
123.11683	2.9
124.01560	0.9
125.05940	0.9
131.08476	1.5
133.10072	4.8
135.11703	1.5
137.05983	1.4
137.13171	1.1
143.08493	1.3
145.10123	4.6
146.10379	1.0
147.11633	1.6
148.11971	0.9
149.13232	1.6
155.01039	4.1
157.10071	1.8
159.11647	3.4
161.13284	1.6
171.11545	1.2
173.02119	1.0
173.13176	1.3
175.14772	4.6
187.14737	1.4
188.15114	1.3
189.16335	0.9
191.99162	0.8
193.15782	0.7
199.14766	1.7
201.16367	1.5
202.16722	0.9
213.16368	3.4
216.06291	1.2
226.16833	0.8
227.17787	0.8
239.23845	1.0
241.19328	0.8
282.27820	14.1
313.27292	100.0
314.27631	1.0
335.18875	0.8
393.23926	7.6
435.32669	1.0
436.27960	4.0
436.32953	3.9
453.33499	1.5
454.33820	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	454.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55172	0.7
53.03410	0.6
55.05503	8.7
57.03409	1.5
57.07064	56.5
67.05486	4.1
69.07058	9.6
71.08611	35.3
73.06532	5.9
79.05468	1.7
81.07027	6.7
83.08598	6.2
85.10163	20.0
87.04462	1.6
89.06008	100.0
92.08604	1.6
93.07018	4.9
95.08574	6.5
97.06516	0.8
97.10148	6.9
98.98456	9.2
99.11711	1.8
105.06989	1.7
107.07034	3.2
107.08567	3.8
109.10155	4.1
113.13262	1.4
117.09102	1.8
119.08580	1.4
119.59782	0.9
121.10101	1.8
122.72643	0.8
123.11675	0.9
128.81459	0.8
131.08554	1.4
133.08572	30.8
135.11676	1.5
145.10046	1.5
155.01048	3.3
155.17920	1.4
159.11954	0.8
161.13286	0.7
163.14845	0.9
173.13235	1.0
177.11191	13.3
199.20551	1.6
209.16545	0.8
221.13998	0.9
234.33698	0.9
239.14841	1.3
243.23141	8.5
265.25293	1.1
283.17444	12.2
287.25772	3.1
339.28851	15.0
377.31708	1.1
393.32040	1.4
413.26688	1.1
437.28558	1.5
437.34592	34.7
454.33087	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	454.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
54.81581	1.7
55.01851	4.6
55.05504	30.0
57.03433	18.5
57.07053	10.1
59.04977	3.0
61.02907	2.6
67.05490	41.4
69.03417	33.3
69.07050	36.9
70.06570	2.5
71.01309	1.7
71.04984	14.3
71.08607	3.1
73.02890	4.4
75.29273	1.9
76.78418	1.7
78.04684	2.4
79.05477	35.8
80.05785	1.6
81.03397	29.6
81.07036	69.0
83.04960	14.4
83.08598	22.2
85.02892	41.7
85.06505	10.2
87.04448	15.1
90.88146	1.9
91.05450	31.0
92.08762	3.9
92.09257	2.0
93.07026	36.9
95.04929	16.4
95.08582	65.4
97.02869	24.0
97.06502	12.3
97.10154	9.9
98.97549	1.9
99.04431	8.0
99.08054	2.4
100.07519	2.1
100.11224	19.5
101.11582	2.3
102.66718	1.8
103.05452	2.6
105.07016	36.7
107.04937	19.3
107.08566	16.8
109.02861	4.2
109.06509	12.1
109.10137	20.0
111.04404	4.0
111.08051	3.5
113.02379	2.3
115.03901	12.6
115.05445	8.7
117.06985	10.8
119.08563	47.3
121.06480	2.3
121.10091	9.2
121.50675	1.7
123.04405	9.0
123.08025	12.6
123.11683	2.6
124.05161	3.3
124.07557	17.3
125.04201	9.0
125.05962	3.0
125.09591	14.8
127.03907	9.0
128.06166	2.5
128.07024	2.1
129.06967	9.7
131.08525	11.8
133.04967	4.5
133.06471	3.3
133.10101	25.2
135.11664	41.1
136.07581	3.1
137.05942	4.3
137.09573	8.8
137.13261	18.6
139.07498	3.1
139.11136	3.2
143.08513	3.6
143.10620	16.4
144.05646	8.4
145.02872	2.4
145.04938	10.2
145.06441	11.9
145.10078	1.9
146.05858	1.9
147.08020	4.1
147.11650	8.1
149.05937	2.1
149.13216	3.6
151.07532	10.0
151.14799	7.2
152.04657	2.6
153.12740	11.3
155.07007	4.4
156.05679	15.5
157.06407	2.6
159.08035	16.8
159.11668	3.5
161.05930	4.7
161.09595	2.8
161.13231	77.9
165.09122	3.5
167.07005	74.1
173.05974	18.3
175.14804	17.3
177.05426	2.9
179.14265	65.0
179.97951	1.8
182.15292	2.9
183.06499	1.9
184.05273	2.1
185.13237	3.0
187.07542	13.9
190.06149	9.0
193.15817	15.2
197.15271	16.2
202.06079	4.4
203.14304	15.1
205.08614	13.3
209.16490	2.6
210.14870	3.1
215.07013	2.8
217.08565	38.3
219.07991	6.8
219.10095	3.3
221.15366	32.7
232.02534	2.0
239.16373	63.5
247.07404	3.7
247.09657	3.9
249.09061	2.4
251.06911	2.4
257.17429	100.0
264.07693	3.3
265.08319	2.6
269.08099	2.1
275.18469	44.1
291.10132	2.6
292.15378	4.4
295.09698	3.0
312.09384	1.8
315.08578	2.8
315.12091	2.1
326.11432	2.9
327.12238	10.1
330.11041	3.9
353.09937	2.2
358.01266	2.0
371.14819	6.9
383.14810	19.1
401.16037	14.7
419.16617	2.8
436.33514	3.2
453.34167	7.1
454.19470	2.4
454.34430	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	454.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	0.6
53.03921	0.6
54.15541	0.5
55.01857	2.7
55.05503	8.2
56.49264	0.6
57.03426	36.5
59.04987	7.2
60.04500	2.9
60.12547	0.6
61.02906	1.3
67.05461	1.2
67.57619	0.7
69.03413	100.0
69.07032	2.5
70.06530	0.6
71.01334	0.6
71.04962	1.2
73.02893	2.6
75.04449	5.8
78.11488	0.6
81.03378	4.0
81.03802	0.6
81.07021	2.8
82.06574	0.7
83.04959	0.9
83.08108	1.2
83.08599	29.8
84.04495	1.3
85.02886	72.6
87.04447	60.8
91.03924	1.2
92.09331	1.4
93.07011	1.4
95.04922	1.4
95.08571	2.6
97.02866	77.0
97.10139	14.1
98.06060	1.1
99.04414	2.9
100.11218	3.6
103.03892	0.8
105.07020	1.1
107.08588	2.5
109.02863	1.5
109.10084	0.9
111.04398	0.9
115.03902	68.0
119.08521	1.3
121.06506	0.8
121.10128	1.0
123.08005	1.0
125.09592	6.6
127.03878	6.0
133.04939	52.8
138.18225	0.7
139.92401	0.6
143.10651	22.3
144.06474	1.5
145.04919	6.2
150.06450	0.8
150.07570	5.5
150.68423	0.7
156.13913	0.7
162.07597	1.2
163.05931	1.2
166.24347	0.7
169.04849	0.8
173.65265	0.6
181.64464	0.7
182.15341	0.9
210.14786	0.9
222.82590	0.7
239.12794	0.9
240.41719	0.7
241.07004	0.9
257.13718	1.2
259.08090	1.4
277.09238	0.9
292.13062	0.7
295.10172	3.3
309.22247	0.7
312.12564	0.8
443.80447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
55.82182	0.5
57.03139	0.6
57.03423	14.6
59.04985	4.6
60.04502	1.3
61.02913	0.9
65.03934	0.7
67.05492	7.3
69.03415	42.1
71.04973	0.6
72.77271	0.5
75.04443	1.2
76.00895	0.5
79.05479	7.7
81.03418	0.7
81.07035	14.9
83.04971	7.4
83.08593	4.1
85.02890	26.8
85.06532	10.8
87.03928	1.2
87.04446	23.5
91.05444	1.2
95.08586	1.2
97.02866	25.0
97.06516	0.8
97.10129	2.7
105.06999	1.4
107.08574	49.1
109.06480	1.0
113.09597	1.3
115.03911	21.1
123.04392	0.6
125.09603	100.0
127.03873	1.1
133.04941	16.0
140.02589	0.6
143.10652	60.7
145.04906	0.9
150.07573	3.3
305.16071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85438	0.4
55.01872	0.6
55.05500	2.5
57.03429	16.9
59.04986	1.4
60.04517	1.0
61.02910	0.7
67.05485	2.3
69.03415	44.0
69.07035	2.0
70.06566	0.5
71.04984	0.8
73.02912	0.9
75.04458	1.3
79.05048	1.1
79.05479	20.9
81.03407	2.1
81.07044	7.1
83.04969	7.7
83.08601	2.8
85.02890	29.5
87.04455	25.6
90.60198	0.5
91.05444	4.1
92.08590	0.7
95.04953	1.2
95.08604	2.4
96.08860	0.6
97.02873	26.5
97.10163	0.8
99.04442	1.1
105.07018	2.9
107.08581	69.7
109.02859	0.6
109.06515	1.4
111.78573	0.5
115.03910	21.9
116.12624	0.6
116.87189	0.6
118.06516	2.1
123.08116	0.6
125.09605	100.0
127.03925	2.9
129.06955	0.8
130.06523	2.9
132.08017	0.8
133.04945	17.9
136.07571	0.7
141.09140	1.1
141.11028	0.5
143.10646	4.0
144.08086	4.7
145.04893	1.0
147.04396	0.8
150.07600	2.3
156.08047	4.1
158.05971	0.9
160.07533	6.0
184.07581	2.6
202.08629	3.0
211.64362	0.6
237.00761	2.0
237.02817	0.6
238.01059	0.9
238.08801	0.6
259.08237	0.7
309.34512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.6
53.03926	0.4
55.01858	0.7
55.05505	5.6
57.03179	0.4
57.03435	8.7
57.07050	0.8
57.54030	0.4
59.04977	3.0
61.02903	0.6
63.70478	0.4
66.78020	0.4
67.05474	2.3
69.03419	30.7
69.03799	1.0
69.07050	3.0
70.06579	0.6
71.04971	3.3
73.02899	1.2
73.06535	0.5
79.05479	9.8
81.03403	2.0
81.07039	31.0
83.04958	3.1
83.08600	0.8
85.02892	20.3
85.06517	2.1
87.04448	13.5
91.05440	0.7
93.06995	1.6
95.04936	0.9
95.08586	2.2
97.02872	15.8
97.06482	0.7
97.10152	12.4
99.04433	1.8
105.07032	0.7
107.04920	0.6
107.08577	12.1
109.02851	0.8
109.06483	0.8
109.10118	0.4
111.04398	0.6
115.03907	13.3
118.03783	0.5
119.08527	0.7
121.10143	0.8
123.04343	0.6
123.08048	0.6
123.11627	0.5
125.09608	100.0
125.36227	0.4
127.03899	2.6
127.11189	3.8
133.04945	10.9
133.10075	0.8
135.25526	0.4
137.09666	0.5
143.10661	15.7
145.05008	1.0
150.07607	3.9
151.07503	0.9
160.07440	0.5
165.09119	0.8
167.07008	1.0
175.14737	0.6
203.05138	0.7
204.05882	1.8
221.15269	0.5
227.12775	0.6
239.12642	0.5
245.52155	0.5
246.06927	2.2
257.13849	2.1
257.17209	0.6
259.08041	0.8
269.13708	1.1
287.14847	7.0
292.07422	4.0
295.10260	2.0
299.60632	0.5
305.15961	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	454.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65413	1.2
52.93214	1.1
53.03925	1.2
53.95662	1.1
55.01859	2.1
55.05499	2.4
57.03429	12.3
59.04979	6.6
67.05487	8.2
68.13969	1.4
69.03420	23.4
69.07054	6.9
70.06561	1.5
71.04970	2.4
78.04704	2.1
79.05479	16.9
81.03403	7.0
81.07040	15.9
83.04962	7.1
85.02894	25.1
87.04458	20.4
91.05463	10.5
93.07024	6.2
95.04955	8.5
95.08601	2.9
97.02858	17.3
103.05499	1.5
105.07015	8.0
107.04945	32.3
107.08580	13.5
109.06511	2.0
109.10150	9.0
111.08059	2.3
115.03932	13.6
115.05430	8.3
116.06242	2.1
117.07003	9.8
121.10155	2.3
123.04414	10.1
123.08134	1.6
123.11639	1.7
124.05178	8.9
125.05963	2.3
125.09605	27.0
127.03903	2.2
127.11191	2.8
128.06238	3.2
129.06982	11.3
130.04080	2.0
131.04927	1.5
131.08546	12.4
133.04929	9.7
133.06485	6.1
133.10114	3.5
135.08066	1.7
137.06000	2.8
137.09633	2.6
140.04637	1.8
141.06963	10.1
143.10632	15.2
144.05667	14.6
145.04947	1.9
145.05382	2.1
145.06458	24.1
147.11697	2.4
149.09564	1.6
152.04660	6.0
153.05443	2.1
155.05998	2.8
155.07101	2.7
156.05646	22.9
157.06499	3.4
159.08009	26.8
160.07472	1.7
161.05962	9.3
167.07008	100.0
169.06387	2.4
169.07689	2.9
172.35817	1.7
173.05963	23.4
175.07520	2.3
176.04701	1.6
177.05534	3.0
183.06534	2.4
184.05257	5.4
186.03600	1.5
187.07532	20.3
190.06262	16.3
190.07809	2.6
191.07072	2.2
193.08588	2.1
202.06241	9.7
203.06897	1.7
205.08554	20.8
205.10132	2.0
207.06543	1.7
208.08896	1.8
217.08575	64.9
218.07364	2.0
219.07980	6.2
219.10133	9.5
229.08395	1.8
231.08037	2.5
233.09528	2.2
235.09605	6.6
247.07422	6.4
247.09610	13.6
248.08298	3.3
249.05499	1.5
249.08856	1.7
251.10745	2.6
254.05774	2.0
257.13712	2.3
261.09091	2.3
262.09897	2.6
263.10788	2.5
264.07721	3.7
265.08401	2.3
265.10797	6.2
275.06888	3.1
276.07468	2.1
279.10199	6.5
281.07846	2.5
291.10144	5.3
292.07178	2.2
293.08163	5.7
305.15939	8.0
307.09659	3.0
308.10309	2.8
315.08572	7.0
322.08374	1.5
322.12009	2.3
323.12857	2.9
330.10901	7.2
336.09604	2.7
339.12268	1.8
351.12131	9.6
353.10114	2.4
368.12469	8.0
371.14664	11.7
383.14777	45.9
401.15921	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	454.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.8
56.05861	0.6
56.54189	0.4
57.03435	8.7
59.04990	0.9
67.05504	0.7
68.40446	0.5
69.03419	15.5
69.07054	2.4
71.04977	1.1
75.04488	0.6
75.05695	0.4
79.05476	5.2
81.03422	1.1
81.07039	3.1
83.04982	6.6
83.08627	2.9
84.05302	0.7
85.02885	10.4
87.04445	8.4
91.05447	0.9
92.08714	0.6
93.07001	0.7
95.08598	3.7
96.08910	1.1
97.02869	12.1
97.06540	0.8
97.10166	2.1
99.04456	0.8
105.07013	2.0
107.08580	61.4
109.06523	0.8
113.09626	1.0
115.03910	6.7
125.09607	100.0
127.03828	0.6
133.04958	6.5
141.09099	6.0
142.09447	3.4
143.10658	9.6
145.05025	0.7
159.10150	4.2
160.10562	2.0
171.55797	0.6
246.27863	0.5
257.02148	0.7
277.64008	0.5
363.85226	0.6
411.85217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05496	19.5
57.07064	3.2
59.86087	1.7
67.05488	11.0
68.31930	1.8
69.07050	30.3
79.05479	11.6
81.07035	42.4
83.08607	11.4
91.05453	13.5
93.07031	35.7
95.04942	3.5
95.08585	53.6
97.06519	2.3
97.10104	3.0
102.34968	2.3
103.85647	1.9
105.07014	46.8
105.69846	1.7
107.08578	55.4
109.06509	2.5
109.10146	34.8
111.08069	2.5
117.06985	3.8
119.08558	82.4
121.10102	47.0
123.08109	3.3
123.11700	16.8
129.06973	7.0
131.08542	30.4
133.10112	54.1
135.08026	2.2
135.11673	25.2
137.09550	2.2
137.13252	2.7
139.07550	2.0
139.11157	2.3
141.06924	2.1
143.08531	19.2
144.09383	2.3
145.10098	58.0
147.11665	33.1
149.09662	2.4
149.13232	14.3
153.09117	3.6
155.08536	3.9
156.09387	2.6
157.10104	32.7
158.10892	3.3
159.11659	42.9
161.13234	27.6
163.14774	17.1
169.10106	8.0
170.10802	2.3
171.11615	22.7
173.13251	23.2
175.11325	2.0
175.14801	56.8
177.09111	2.9
177.16420	11.1
183.11743	12.5
185.13231	13.4
187.14789	43.8
189.16353	42.3
195.11623	3.4
197.13326	8.7
199.14767	24.7
201.16331	56.1
203.17970	4.2
205.15981	3.3
207.17532	2.6
211.14857	7.2
213.16278	15.1
215.17978	17.2
217.15851	8.8
221.15353	2.4
223.14801	4.7
225.16446	9.7
227.17935	10.5
229.16000	2.4
231.17476	4.1
233.19044	11.3
237.16447	2.3
239.18008	3.6
241.19418	6.8
253.19554	4.6
255.21239	2.3
281.22614	3.8
293.22751	2.2
321.25809	9.0
347.27075	3.1
367.26550	3.4
389.32111	23.6
407.33081	28.4
435.32538	69.7
453.33646	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	454.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01852	3.7
55.05502	1.7
57.03427	10.3
57.07064	1.7
61.02908	10.9
67.05135	1.0
67.05486	18.9
69.03413	48.1
69.07040	4.0
71.04970	8.7
73.02897	2.9
75.63396	0.7
76.59166	0.7
79.05462	5.2
81.03396	10.8
81.07027	3.0
83.01331	1.0
83.04951	4.7
85.02886	82.1
85.06515	4.3
86.06037	1.1
87.04448	4.0
87.41381	0.7
88.66090	0.6
91.03931	4.4
91.05454	1.4
93.07024	1.4
95.04939	41.1
95.08545	2.2
97.02863	27.0
97.06507	15.4
99.04422	4.4
100.11226	3.0
105.06988	1.5
107.08580	1.2
109.02235	0.7
109.02858	7.6
109.06480	0.8
111.04408	4.8
111.62987	0.7
113.05982	100.0
115.03917	0.8
117.12566	0.6
119.08513	1.2
127.03894	12.8
128.04181	0.8
131.08598	0.7
133.06500	0.7
145.04944	14.1
147.11543	0.9
163.06027	3.8
164.23759	0.8
182.15356	1.9
189.07545	1.1
239.09227	1.0
257.10187	5.2
454.18945	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14600	0.6
53.03927	2.7
55.01867	5.9
55.05492	1.2
57.03228	0.6
57.03433	10.1
57.07065	0.9
61.02909	12.9
65.03917	0.8
67.05490	11.1
69.03413	37.4
69.07066	1.7
70.97072	0.7
71.04972	7.7
73.02911	4.8
78.67933	0.7
79.05486	7.0
81.03403	12.7
81.07013	1.0
83.04956	2.8
85.02888	100.0
85.06503	2.6
86.06050	0.7
87.04436	3.4
91.03918	4.9
91.05439	1.1
91.67983	0.7
92.08689	1.4
92.64111	0.7
93.07001	1.1
95.04947	29.7
95.08623	0.8
97.02865	31.5
97.06512	33.7
98.84795	0.6
99.04426	6.0
100.11253	1.3
105.06968	0.9
109.02862	9.0
109.06497	3.9
111.04413	3.7
113.05989	74.8
114.33102	0.7
119.08580	1.3
123.08073	1.2
127.03896	17.9
128.43411	0.7
137.05908	1.4
143.70378	0.6
145.04936	23.4
149.05994	1.0
155.07014	0.9
163.05977	1.6
175.10973	0.8
182.15318	1.7
182.26666	0.8
189.07567	3.5
209.36964	0.6
210.14862	1.1
239.09166	1.4
257.10114	4.4
275.11212	1.3
292.13861	0.8
454.18622	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.01905	3.7
55.05491	21.9
57.07067	6.4
66.64534	3.1
67.05502	31.8
69.07053	38.5
71.06269	3.3
73.10720	3.7
79.05469	22.9
81.07029	49.9
83.08616	8.5
91.05453	22.9
93.07032	64.4
95.08584	100.0
97.10155	7.0
102.02389	3.9
105.07008	50.3
105.88406	3.4
107.08562	83.7
109.10141	47.9
111.08076	7.0
113.44931	3.6
116.91525	4.0
117.06927	4.2
119.08545	65.4
121.10110	58.2
123.11658	20.0
129.06985	17.7
131.08571	46.5
133.10081	40.7
135.11655	38.7
142.07719	3.5
143.08530	23.8
145.10112	45.0
147.04411	6.0
147.11610	33.9
148.04683	7.2
149.13232	22.8
151.14806	6.7
155.08539	30.6
157.10075	37.2
159.11617	31.5
161.13155	30.8
163.14764	16.4
167.08490	4.3
169.10117	35.1
171.11703	33.3
173.13223	21.4
175.11171	4.2
175.14790	21.5
177.16330	4.8
181.10033	6.2
183.11635	27.8
185.13242	21.7
187.14810	8.4
189.16360	8.6
195.11678	8.2
197.13226	18.4
199.14772	16.6
201.16330	6.5
209.13220	5.7
211.14809	8.0
213.16319	14.5
215.17868	16.3
223.14815	29.6
225.16365	26.8
227.17900	16.5
237.16287	5.7
239.17909	8.2
241.19455	7.7
251.17769	7.0
253.19391	28.5
255.21037	17.0
265.19318	14.4
267.21039	6.5
271.16913	6.1
293.22540	23.3
297.18649	5.4
299.20038	24.5
301.21594	15.7
311.19986	22.6
319.24200	7.9
339.23224	6.6
383.37659	4.0
389.32028	50.3
407.33194	30.7
435.32672	46.6
438.11597	4.1
453.33725	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.87091	1.1
53.03934	1.4
55.05505	15.9
57.07061	6.8
60.47743	1.2
61.65184	1.3
62.16739	1.2
67.05485	18.1
69.07053	25.3
69.07406	2.3
71.56857	1.3
79.05475	12.2
81.07035	44.2
82.31206	1.6
83.08615	14.8
91.05463	14.7
93.07021	46.8
95.08581	72.2
95.09193	2.8
97.06531	2.2
97.10162	5.9
105.07008	41.7
105.07667	3.0
107.07867	2.9
107.08573	68.0
109.06517	3.3
109.10143	36.4
117.07034	5.9
118.77777	1.6
119.08554	62.5
119.09380	2.6
119.93319	1.7
121.10110	48.7
123.08057	2.5
123.11673	13.9
129.06982	13.8
131.08536	31.3
133.10100	45.9
135.08058	1.7
135.11650	31.8
137.09624	1.9
137.13274	6.5
141.06966	2.9
142.07756	3.1
143.08539	16.6
145.10100	50.1
147.11647	25.4
149.13235	19.5
151.14813	8.5
153.09109	2.3
155.08545	17.1
156.09373	2.2
157.10098	34.5
158.10825	2.1
159.11655	44.8
159.12924	2.2
161.13216	31.3
163.07544	1.8
163.14833	16.6
167.08594	2.6
169.10078	22.0
170.10870	2.9
171.11642	23.0
173.13248	17.1
175.14777	27.1
177.09091	2.3
177.16377	11.7
179.14307	3.3
181.10114	7.4
183.11650	19.4
185.13240	13.8
187.14749	29.4
189.16354	26.9
191.17874	1.9
193.16031	2.3
195.11719	10.6
197.13245	12.6
199.14745	18.6
201.16364	36.1
203.18018	3.3
205.15904	2.6
209.13237	7.4
211.14838	10.6
213.16298	11.5
215.17937	10.7
217.15889	3.8
219.17461	3.7
221.13264	2.3
223.14742	21.0
225.16335	29.9
227.17900	11.3
229.19412	2.1
233.19014	3.1
237.16412	9.0
239.17944	8.3
241.19580	6.2
243.43654	1.8
247.16864	3.7
249.16339	2.2
251.18002	8.6
253.19463	20.1
255.21091	7.3
265.19489	10.7
267.21082	8.9
271.16974	2.8
279.20990	2.2
281.22571	2.4
285.18729	1.6
293.22586	15.5
299.20050	8.4
301.21457	2.7
311.20047	16.4
311.23401	3.0
319.24362	6.5
321.25769	3.5
334.51309	1.9
337.25049	2.5
339.23038	6.8
367.26373	5.9
389.31998	38.4
407.33051	23.7
435.32520	48.2
453.33597	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.63612	1.1
53.03945	2.2
55.05501	19.3
57.07067	7.8
57.33071	1.1
60.31226	1.4
67.05481	19.9
69.03427	1.3
69.07053	30.8
75.47636	1.6
79.05472	17.6
81.07035	44.9
83.08597	13.4
91.05459	16.5
93.07032	43.4
95.04959	3.4
95.08577	72.3
97.06516	2.5
97.10154	3.6
105.06303	1.9
105.07001	39.9
107.08573	72.5
109.06490	2.9
109.10134	37.4
111.08077	2.6
111.11714	1.6
117.07017	11.2
119.07719	2.6
119.08560	66.0
119.09377	3.1
121.10114	51.2
123.08053	3.1
123.11693	12.9
129.06961	10.1
131.08525	33.8
133.10103	45.9
135.08070	2.5
135.11681	28.4
137.13263	2.9
141.06975	5.9
142.07776	2.7
143.08517	18.5
144.09303	1.9
145.10101	48.9
145.11197	2.5
147.11668	28.4
149.09550	1.6
149.13275	16.6
151.14809	7.8
151.53180	1.5
153.09044	1.9
155.08559	22.5
156.09337	5.9
157.10085	33.3
157.11159	1.8
158.10811	2.7
159.11674	36.9
161.13228	30.9
163.07544	1.8
163.14774	13.9
163.82310	1.5
167.08574	3.6
169.10088	25.5
170.10909	3.1
171.11646	26.0
173.09648	2.2
173.13216	19.5
175.14790	26.2
177.09145	2.7
177.16319	13.4
179.14328	7.4
181.10159	7.9
182.10907	1.8
183.11674	19.2
184.12509	2.2
185.13213	18.6
187.14772	31.4
189.16319	25.1
191.10599	1.8
191.17986	2.3
193.10112	2.4
193.15875	2.0
195.11725	9.3
196.12253	1.5
197.13197	15.0
199.14798	15.1
201.16344	30.1
203.17996	2.3
205.15895	2.0
207.11659	2.1
209.13257	8.3
211.14854	8.0
213.16368	14.7
215.17871	12.4
217.15851	3.3
219.17535	7.0
221.13303	1.7
223.14842	16.0
225.16388	16.4
227.17963	8.7
229.19507	2.5
231.17497	2.1
233.19112	2.6
235.14938	1.5
237.16396	7.3
239.17957	8.0
241.19582	7.4
247.17017	5.9
249.16306	2.3
251.17871	8.9
253.19537	18.2
255.21066	6.3
265.19489	8.0
267.21066	8.2
271.17151	2.4
277.19510	2.4
281.22849	1.7
293.22513	14.7
297.18637	2.1
299.20129	8.2
301.21786	9.9
311.20096	16.1
311.23407	3.3
313.21713	3.3
319.24234	6.4
321.25705	3.5
327.23300	1.5
339.22955	4.9
351.22827	1.7
367.26605	3.4
389.31949	35.3
407.33090	23.9
435.32553	50.8
453.33685	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.4
57.07066	4.1
61.19106	2.7
62.05738	2.5
64.33379	3.6
67.05482	14.3
69.07052	33.0
76.63639	2.7
79.05462	15.3
81.07038	40.4
83.08616	14.7
91.05464	17.8
93.07023	45.2
95.08591	66.8
97.10150	3.7
105.07008	60.8
107.08575	97.7
109.10143	29.4
117.06985	13.4
117.72881	3.5
119.08562	100.0
121.10128	71.6
123.11657	11.9
131.08517	27.9
133.10088	51.9
134.34001	3.6
135.11674	27.1
142.07782	3.3
143.08505	14.4
145.10109	50.5
146.83035	3.1
147.04362	3.4
147.11671	33.7
149.13220	19.1
157.10071	32.1
158.10857	3.1
159.11658	33.8
161.13245	35.3
163.14801	23.0
169.10114	5.5
171.11647	24.6
173.13258	32.1
175.14777	70.7
177.16367	29.7
179.14320	3.6
185.13237	13.4
187.14766	18.9
189.16322	22.8
197.13220	6.2
199.14774	19.8
201.16389	33.1
203.17969	4.7
209.13173	3.9
213.16330	38.0
215.17944	15.6
223.14740	3.9
227.17931	17.5
229.19411	3.9
239.17867	3.7
241.19563	6.9
253.19463	12.8
259.16757	21.3
273.18423	13.3
310.97864	3.4
313.21567	3.6
389.31961	13.2
407.33102	26.3
435.32602	54.4
453.16635	79.8
453.33493	40.8
454.16693	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.47472	2.4
55.05499	18.5
56.13800	2.7
57.07058	5.1
63.67146	2.5
67.05498	24.2
69.07045	18.7
71.04985	3.0
79.05480	6.4
81.07045	59.3
83.04964	12.5
83.08586	7.5
83.54567	3.1
89.16772	2.9
91.05457	24.9
92.08752	3.1
93.07028	51.7
94.22485	3.5
95.04921	5.1
95.08587	81.3
97.10153	4.5
98.21977	2.9
100.70094	2.9
105.07009	69.7
107.08594	79.7
109.10139	36.8
111.08061	5.6
117.06991	14.7
119.08564	100.0
121.10135	63.4
123.11690	29.2
125.09606	7.2
129.06947	5.3
131.08546	37.7
133.10115	70.2
135.11652	33.7
137.09578	4.1
143.08557	21.8
145.10103	68.5
147.11690	41.7
149.13240	21.4
157.10121	15.9
159.11673	48.6
161.13211	20.9
163.14786	16.5
171.11694	17.4
173.13258	29.9
175.14812	31.6
177.16367	4.2
185.13243	13.6
187.14806	35.4
189.16423	35.8
191.17905	6.5
197.13202	12.5
199.14799	19.1
201.16371	47.1
203.17992	4.5
205.15910	32.0
213.16370	21.7
215.17918	28.9
217.15913	6.4
219.17421	26.0
225.16231	3.5
227.17918	5.3
229.15912	3.7
229.19478	5.5
235.16888	7.2
243.20993	4.8
247.16972	7.6
253.19586	6.3
255.20978	3.8
267.21024	6.1
389.31897	7.3
407.33209	42.1
419.57645	3.7
435.32553	26.7
453.34274	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.25831	1.7
54.81792	2.3
55.05494	19.8
57.07059	5.4
67.05478	22.7
69.03419	2.2
69.07063	23.2
79.05483	26.0
79.08926	2.5
81.07039	57.3
83.04975	3.2
83.08599	14.6
85.62358	1.8
91.05459	25.4
93.07027	71.7
93.67014	2.2
95.04927	8.8
95.08582	84.6
97.10146	3.6
105.06360	3.2
105.07011	59.1
107.08575	100.0
109.06508	4.6
109.10145	40.7
111.08035	4.4
117.06976	8.9
119.08555	76.3
121.10121	79.2
123.08033	3.1
123.11691	23.8
125.09600	3.0
125.92679	2.5
128.06194	2.2
129.06966	8.4
131.08542	35.5
133.10106	46.7
135.11667	44.6
137.13237	10.6
142.07767	2.8
143.08546	13.6
144.09450	2.2
145.10095	53.1
147.11655	26.3
149.13226	28.8
153.93822	3.2
155.08530	8.5
156.09294	4.0
157.10120	35.8
159.11713	31.7
161.13248	24.4
163.14772	18.9
169.10080	20.1
170.10904	2.1
171.11633	30.8
172.12439	2.4
173.09680	2.7
173.13257	20.3
175.14752	31.1
177.16339	13.0
179.14301	2.7
181.10141	4.8
183.11676	26.4
185.13234	18.7
187.14803	22.0
189.12747	2.8
189.16348	18.2
191.14197	3.7
191.17833	5.0
195.11667	11.1
197.13214	14.7
198.13950	3.0
199.14775	18.5
201.16394	22.3
203.17986	9.6
209.13277	5.0
211.14769	9.0
211.39810	2.1
213.16290	23.1
214.17046	8.4
215.17899	22.4
223.14786	11.9
225.16335	13.2
227.17868	18.7
229.19533	8.8
237.16251	4.6
239.17860	12.2
241.19508	14.7
251.17863	3.4
253.19434	24.6
255.21054	14.3
261.18317	3.2
263.17856	2.8
265.19568	4.1
267.21051	8.4
273.18503	4.0
281.22733	6.7
285.18439	11.9
287.20056	15.3
293.22681	17.3
299.19904	19.9
301.21680	17.6
311.23584	2.5
313.21628	3.8
319.24124	3.7
377.32141	2.7
389.32153	12.0
407.33069	55.1
411.28796	3.0
413.21558	10.5
423.32480	58.6
425.34033	7.7
431.22693	11.9
435.32605	29.5
453.33969	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.0
54.75697	2.2
55.05490	12.7
57.07059	3.0
58.01173	2.0
61.73547	1.7
64.33872	1.9
67.05483	15.0
69.03419	2.4
69.07063	16.0
71.39719	1.9
79.05467	15.2
81.07041	53.8
83.04958	13.2
83.08578	10.4
86.93617	2.1
91.05461	21.8
93.07027	52.9
95.04916	3.8
95.08586	76.4
97.06526	2.6
97.10165	2.9
105.07011	68.4
105.35850	2.5
107.08572	71.9
109.06511	5.0
109.10140	36.3
111.08054	10.5
117.06980	9.6
119.08555	100.0
121.10126	58.7
123.08056	4.4
123.11673	26.1
125.09585	5.2
129.06966	4.5
131.08551	44.9
133.10109	63.0
135.07986	2.5
135.11690	22.6
139.59024	2.0
143.08542	18.3
144.09386	2.4
145.10098	66.9
147.11659	32.7
149.09607	2.5
149.13216	11.4
157.10089	10.5
158.10869	3.1
159.11668	51.2
161.13219	24.8
163.11159	2.1
163.14798	9.9
169.10100	3.9
171.11644	10.9
173.13187	28.9
175.14761	34.6
177.16341	4.9
183.11664	3.8
185.13193	9.5
187.14771	49.6
189.16353	33.3
191.17961	11.3
197.13216	2.5
199.14827	11.4
201.16330	48.4
203.14455	2.2
203.17917	15.4
205.15837	43.9
209.13350	2.7
210.18571	2.8
212.55952	2.3
213.16396	26.2
215.17940	27.6
217.15819	2.9
217.19461	3.3
219.17415	21.9
220.99471	2.3
229.19521	2.4
233.18953	2.6
235.16862	7.9
237.16301	2.7
239.18007	2.6
241.19308	3.3
247.16931	8.4
255.20995	4.9
261.18378	3.1
267.21060	3.4
269.22433	2.3
389.32080	4.4
407.32925	40.5
435.32483	8.1
453.33597	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03922	3.0
55.05502	19.2
57.03408	1.9
57.07042	4.2
58.67368	1.9
62.14784	1.9
62.86949	2.4
67.05489	25.9
68.75780	1.8
69.07049	26.8
79.05463	23.5
81.06593	3.4
81.07029	45.2
83.04967	4.1
83.08587	12.6
85.02913	2.5
88.39561	2.0
91.05445	21.5
93.07011	79.1
95.04907	5.0
95.08575	81.8
97.10112	4.2
105.06348	4.0
105.07004	60.3
106.40804	2.1
107.08569	100.0
109.06468	3.3
109.10135	34.1
111.08063	2.3
111.11713	3.2
117.06969	5.7
118.59504	2.6
119.08549	78.5
121.10106	67.1
123.11631	17.1
129.06952	12.6
131.08549	40.2
133.10098	50.9
135.11658	38.1
137.13216	10.3
142.07732	5.0
142.86409	2.7
143.08521	28.5
145.10092	56.4
147.11673	33.4
149.13225	38.3
151.07541	2.9
151.14856	3.2
155.08528	14.4
156.09351	3.8
157.10092	45.9
158.10818	2.7
159.11639	39.0
161.13235	31.6
163.14786	14.1
169.10094	16.8
171.11624	33.9
172.11839	2.7
173.13217	23.5
175.14737	25.9
177.16339	9.4
179.14243	2.7
181.10074	3.9
183.11636	31.9
185.13185	25.3
187.14751	16.0
189.16325	11.7
195.11673	4.5
196.12524	2.6
197.13269	21.5
199.14847	12.2
201.16304	13.3
209.13249	3.8
211.14781	11.1
213.12589	2.4
213.16415	8.6
215.17970	5.2
223.14708	12.5
225.16292	5.0
227.17879	18.5
229.19389	5.1
237.16307	5.3
238.17046	2.6
239.17830	11.6
241.19371	5.2
245.15367	3.1
251.17918	3.3
253.19473	26.8
255.21007	18.0
265.19498	3.9
267.20990	15.2
276.41965	2.4
277.19470	2.7
285.18307	3.1
293.22540	13.6
299.20001	27.6
301.21555	27.1
311.19992	7.9
313.21494	10.7
319.24036	2.8
362.00940	2.8
389.32126	17.6
407.33301	19.8
435.32675	44.8
453.28607	6.8
453.33618	82.7
458.96674	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	453.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05485	0.8
55.73203	0.4
56.96548	0.4
57.03420	0.5
59.04977	2.2
59.93608	0.3
61.02896	0.5
67.05472	2.3
69.03412	3.2
69.07050	49.3
71.04961	0.6
73.06523	5.9
78.11988	0.4
79.05457	0.7
81.03373	0.9
81.07034	7.6
83.04990	0.7
85.02879	6.1
87.04447	0.7
93.07027	0.6
95.04924	0.6
95.08002	0.7
95.08580	13.7
97.02879	3.2
97.06502	50.0
98.49352	0.4
99.04431	0.8
99.08055	2.7
105.07011	0.6
112.09909	0.4
115.07541	100.0
121.02829	8.5
122.03172	3.8
123.08037	8.3
125.05962	0.6
127.03844	0.7
129.05464	0.7
133.08542	0.5
139.03894	0.9
140.04248	0.4
141.09081	11.1
143.00070	0.4
159.10130	33.7
167.59158	0.4
172.98087	0.4
184.48140	0.4
193.12099	0.4
204.34711	0.4
255.01488	0.4
284.08273	0.8
304.54004	0.5
440.92050	0.4
453.14053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41740	0.6
53.00288	1.0
53.03928	1.3
54.81957	0.8
55.01870	1.7
55.05505	6.3
56.96551	1.0
57.03432	11.5
58.06610	0.8
59.04986	1.8
60.04508	5.5
61.02904	5.1
67.05495	4.8
69.03069	1.4
69.03419	30.6
69.03800	1.2
69.07054	37.8
71.04967	1.8
71.08614	19.6
72.08121	0.9
73.02901	3.2
75.04459	1.1
77.24430	0.7
79.05473	4.2
80.47399	0.7
81.03396	7.6
81.07027	11.3
83.04977	9.7
83.08606	10.2
84.04504	1.8
85.02892	63.5
86.02438	5.6
86.09706	1.3
87.04443	10.2
89.28928	0.8
91.05465	1.1
93.07034	1.6
95.04935	1.7
95.08587	31.1
96.05440	0.7
96.08108	1.5
97.02872	40.5
97.06505	10.0
97.10117	0.9
98.97560	5.1
99.04411	4.3
99.08070	8.2
103.03916	3.4
105.06980	1.2
107.08600	1.4
109.02872	9.7
109.10102	1.1
111.08036	3.4
113.09655	1.0
114.09149	22.0
115.03928	5.7
115.37533	0.9
116.98628	1.3
121.06471	0.9
123.04412	1.6
123.08047	13.3
124.03890	0.9
125.09607	1.3
127.03902	11.6
129.09097	9.5
133.04947	5.5
133.10103	1.0
137.05975	1.3
137.46771	0.8
138.09151	1.9
141.09084	33.0
142.08618	100.0
145.04964	9.1
150.07616	1.5
152.10654	0.8
156.10271	3.0
159.10136	29.9
159.11440	1.5
163.03931	1.5
180.10194	1.0
184.09654	58.0
191.76967	0.8
203.41428	0.7
208.09676	13.1
219.01732	1.0
220.09607	1.6
229.31831	1.1
237.02777	1.0
238.10564	1.3
250.10588	6.4
268.11725	1.4
283.12363	1.1
286.12732	1.6
304.13852	64.3
453.18509	1.6
458.46243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
55.05484	4.3
56.63022	0.9
56.96560	1.2
57.03432	5.3
59.04974	4.3
61.02911	1.8
64.96812	1.0
67.05492	8.4
69.03419	8.4
69.07051	47.9
71.08610	1.8
73.02894	4.9
73.06528	5.0
75.34318	1.0
79.05458	2.4
81.03410	2.3
81.07043	20.1
83.04964	2.4
83.08616	1.0
85.02885	17.1
85.65844	1.1
86.00219	1.0
87.04448	2.2
93.07035	2.3
95.08587	85.5
97.02883	10.6
97.06506	42.2
99.08067	27.4
109.02838	2.3
113.09622	17.8
114.09116	1.5
115.07548	92.4
121.06458	1.5
123.08047	57.1
127.03874	1.4
138.58600	1.3
141.09081	92.9
142.08598	10.5
145.04898	1.5
151.03864	1.2
159.10141	100.0
163.03822	2.1
184.09706	4.9
208.09589	1.2
255.01735	1.8
273.02646	1.6
285.71008	1.1
304.13956	4.3
420.44028	1.3
421.66071	1.3
429.06732	1.7
453.13553	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	453.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14835	0.6
54.81778	0.8
55.01857	1.0
55.05502	5.3
56.27187	0.7
56.96558	4.0
57.03423	1.6
57.95179	0.7
59.04981	3.7
61.02917	1.2
64.33601	0.9
66.90051	0.8
67.05490	8.7
69.03417	5.9
69.07054	38.3
69.23573	0.8
71.04940	0.8
71.08611	1.5
73.02900	4.3
73.06538	3.8
79.05462	1.2
81.03389	1.4
81.07036	16.0
83.04980	1.6
83.08589	0.9
85.02893	16.5
87.04502	1.3
93.07017	1.2
95.04916	0.9
95.08586	83.1
97.02884	9.9
97.06509	36.8
98.97579	0.9
99.08076	22.6
105.07018	1.0
109.02899	1.0
112.94698	0.9
113.09632	19.2
114.09171	1.6
115.03925	1.7
115.07551	75.3
115.39832	0.7
116.98618	0.9
117.03349	1.0
123.08047	57.4
127.03898	1.7
129.09114	1.0
129.82816	0.8
131.76183	0.8
135.04404	1.1
141.09082	88.4
142.08624	9.2
145.04965	0.9
151.03886	1.8
159.10147	100.0
163.03891	5.2
166.17403	1.0
167.61414	0.9
184.09673	4.5
188.35170	0.9
199.09595	0.9
237.00630	1.5
255.01700	4.7
273.02759	4.0
304.13754	7.9
321.15402	1.1
429.06976	3.4
453.13376	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	453.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.6
53.03938	2.0
53.07909	1.2
54.24190	1.0
54.81199	0.9
55.01865	1.6
55.05508	9.1
56.87013	1.1
57.03432	10.4
59.04992	1.7
60.04507	7.2
61.02914	2.9
66.87193	1.0
67.05489	6.8
69.03412	32.2
69.03761	2.0
69.07054	59.7
71.04965	4.6
71.08617	18.9
72.67017	1.1
73.02900	1.9
73.06564	2.1
79.05473	2.9
81.03407	4.6
81.07045	24.2
83.04960	15.6
83.08608	17.4
84.04517	1.4
85.02888	64.8
86.02420	2.0
87.04430	12.1
87.08115	2.0
91.05460	2.3
92.08921	6.5
93.07012	3.0
95.04959	12.5
95.08582	59.3
96.08113	1.8
97.02872	40.1
97.06510	31.0
98.74233	1.2
99.04424	1.7
99.08073	15.8
103.03909	2.6
106.04161	2.8
109.02856	9.2
109.16570	1.4
111.08065	7.9
114.09140	21.6
115.03913	6.1
115.07542	47.7
121.06484	5.3
123.04412	6.6
123.08041	32.0
125.05984	1.7
127.03901	10.2
127.07542	1.3
129.09100	15.6
133.04979	4.7
135.04399	1.4
137.05899	1.4
138.09122	1.6
140.04646	1.5
141.09079	62.3
141.63829	1.2
142.08615	100.0
143.07089	1.4
145.04964	8.1
149.05983	2.7
150.07654	1.2
155.07065	1.3
156.10274	1.2
159.10143	73.2
167.06978	1.5
180.10158	1.8
183.06531	2.7
184.09653	57.7
208.09674	14.6
209.08000	1.3
246.48416	1.1
250.10667	6.0
286.12799	2.4
304.13864	62.0
342.19241	1.2
390.60425	1.2
460.75269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01868	0.4
56.96559	9.6
57.03430	9.9
59.04991	0.4
61.02912	2.0
64.33463	0.4
69.03416	5.2
69.07059	0.9
71.04950	0.5
72.31133	0.3
74.19901	0.4
76.94247	0.4
81.03397	1.0
83.04971	4.1
84.96025	2.6
85.02893	12.2
87.04459	2.2
87.76234	0.4
89.03896	0.7
91.03917	0.6
91.30878	0.4
92.08831	0.4
95.08591	0.4
97.02876	5.0
97.06472	0.7
98.06113	0.4
98.97562	13.9
101.05997	11.0
105.07063	0.5
109.02835	0.5
110.97535	2.0
111.04427	3.2
114.73730	0.4
115.03897	0.5
115.07544	0.9
116.98598	9.3
117.03380	0.6
120.05621	0.4
127.03896	2.3
128.98593	4.6
129.05457	100.0
131.00162	0.8
134.99640	4.8
135.04395	2.5
140.98566	0.7
141.09140	0.4
143.00148	3.1
145.02826	0.8
145.04941	2.1
146.99611	3.3
149.01266	0.6
151.07542	0.7
152.98578	2.1
157.01694	0.4
158.99608	2.9
159.03293	2.0
159.10107	0.4
161.01225	5.0
163.02647	0.6
163.03877	6.4
170.99585	3.4
177.00731	3.4
185.01228	0.8
187.02696	0.7
189.00673	3.4
203.02206	0.7
209.01248	0.7
211.02791	2.0
213.00745	0.9
218.99783	0.6
219.01744	4.3
228.08659	0.4
231.01671	0.8
237.00629	3.4
237.02802	11.0
238.07153	0.5
249.02716	0.9
255.01639	5.9
255.03853	1.2
261.06406	1.5
273.02771	9.4
279.07468	19.9
291.04028	0.5
291.10596	0.7
297.08517	6.5
393.05457	1.2
393.10565	18.4
411.06342	0.9
411.11685	3.8
429.07047	1.7
453.07016	0.7
453.12851	2.0
453.18509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	9.4
57.03428	8.0
59.04948	0.5
59.70879	0.5
61.02901	2.1
63.11140	0.4
63.35339	0.4
66.57009	0.4
69.03412	5.9
69.07034	0.7
77.30336	0.4
79.05465	0.7
81.03379	1.1
82.19868	0.5
83.04976	3.8
84.95992	4.4
85.02888	14.2
87.04459	3.4
94.70319	0.5
97.02870	6.7
97.06518	0.7
98.97560	32.3
98.98341	1.0
98.98452	1.0
99.04419	0.8
101.06001	10.0
102.97041	0.6
105.07015	0.9
109.02888	1.1
110.97546	6.8
111.04409	2.5
112.99113	0.4
115.03894	1.2
115.07536	1.1
116.98594	22.9
127.03863	1.1
128.98578	10.5
129.05452	100.0
134.99631	8.4
135.04411	0.6
140.98552	1.1
143.00151	6.0
144.98059	1.9
145.04955	2.1
146.99635	8.0
149.01184	2.0
151.07526	3.1
152.98590	4.6
158.99620	7.7
159.03291	0.6
159.10112	0.6
161.01180	8.0
162.99120	3.0
163.03885	2.4
165.00731	1.0
170.99629	9.0
173.01183	1.1
174.97731	0.4
177.00671	9.9
177.04115	0.5
179.02248	0.8
181.00266	0.6
181.08588	0.4
182.00661	0.5
185.01176	0.9
189.00655	8.7
191.02090	0.5
195.01730	0.6
201.00787	0.8
203.02200	0.5
207.01772	2.2
219.01738	12.0
231.01735	2.4
237.00710	1.1
237.02759	30.8
255.01656	1.6
255.03897	2.9
259.21454	0.5
261.06494	3.0
273.02777	2.5
279.07446	56.9
280.08005	0.6
291.10703	2.0
297.08484	15.8
302.09158	0.5
340.74512	0.4
393.10593	48.2
411.06213	0.9
411.11456	8.8
429.07181	0.6
453.12766	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	452.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.25666	0.1
57.07059	0.2
65.03926	0.6
65.63596	0.1
67.05486	1.0
69.07060	1.4
72.08109	0.1
74.62711	0.1
79.05482	0.5
81.07043	1.4
83.08616	1.0
91.05461	7.9
92.09438	0.2
93.07007	0.7
95.08593	1.6
96.08914	0.1
97.06523	0.3
97.10142	0.9
105.07017	0.6
107.08554	0.2
109.10156	0.5
111.11714	0.3
113.09646	0.1
115.07562	0.2
119.04922	30.9
119.08577	0.8
120.05283	0.2
121.10100	0.6
123.11721	0.2
133.10094	0.3
135.11670	0.5
147.04393	100.0
147.11612	0.4
148.04698	1.1
161.13283	0.2
165.05426	0.9
175.14882	0.1
217.19421	0.5
235.20438	1.0
253.21683	1.5
271.22568	0.5
417.26031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81442	0.4
55.05496	0.6
56.05037	0.6
57.09793	0.4
58.06587	0.6
60.08149	16.9
63.56120	0.4
67.05499	0.7
71.07357	4.4
77.80943	0.4
81.07041	0.8
86.09689	43.2
91.05476	0.6
93.06995	0.5
95.08631	0.6
98.98448	4.8
101.75510	0.5
104.10722	100.0
119.08499	0.8
121.10105	0.7
124.99977	35.6
143.01003	0.6
184.07300	29.5
188.56949	0.5
239.14961	0.6
302.11212	0.5
452.34940	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	452.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75396	1.9
53.03977	1.5
55.05502	33.5
57.03426	25.3
57.07060	4.6
63.56601	1.8
65.03915	2.2
67.05491	81.9
69.06720	2.3
69.07053	44.7
70.49423	1.8
79.05478	25.2
81.07034	95.3
82.07360	3.2
83.08587	18.5
85.06525	2.5
85.10067	2.3
91.05465	23.9
91.29607	2.0
93.07024	39.0
94.07311	2.3
95.04934	2.4
95.08002	4.2
95.08585	94.9
96.08907	4.1
97.06474	3.3
97.10146	8.6
98.98441	83.8
99.08089	2.8
105.07013	31.4
107.08581	35.0
108.08963	2.6
109.10141	31.0
113.91540	1.9
116.99488	2.6
119.08561	32.2
120.08892	4.5
121.10123	17.2
122.10406	3.1
123.07986	2.3
123.11709	14.3
131.08536	13.2
132.08830	2.0
133.10103	22.9
135.11693	9.6
137.13237	3.9
143.08519	3.3
145.10074	10.7
147.11731	14.5
148.11896	2.3
149.13196	8.2
155.01016	34.9
157.10094	4.8
159.11633	7.2
161.13239	8.8
163.14792	11.2
171.11635	3.2
173.02094	10.4
173.13191	7.7
175.14796	13.4
176.15129	4.1
185.13264	2.6
187.14775	7.5
189.16389	3.5
195.11682	3.0
201.16321	4.7
202.16599	2.1
211.14748	3.4
217.15848	2.5
220.42542	1.9
236.34796	1.9
245.22543	11.8
263.23651	27.3
337.27316	100.0
345.47183	2.1
350.66751	2.1
406.31412	8.6
430.41809	1.9
434.37076	8.8
435.37140	2.2
436.10077	2.2
451.31808	11.7
452.32324	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	452.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.4
53.03939	0.5
55.01865	1.2
56.96563	0.8
57.03430	24.8
59.04990	4.7
60.04526	1.1
60.06040	0.6
61.02911	1.4
62.02765	0.6
67.05476	0.6
69.03417	61.3
73.02890	3.1
73.03273	0.7
75.04469	3.4
81.03384	1.6
85.02895	40.8
87.04453	37.4
92.08598	0.8
95.04919	0.9
97.02870	35.3
103.05492	0.9
105.03399	1.2
105.75341	0.7
109.02864	21.3
115.03912	37.1
115.04732	1.2
115.55323	0.8
119.04940	1.3
123.04410	100.0
127.03923	1.6
133.02827	10.6
133.04947	37.0
137.05968	3.9
141.05443	12.2
145.04941	2.6
147.04388	1.3
150.07570	5.2
151.07516	1.0
153.05438	1.3
163.07410	0.7
165.05424	13.3
177.05444	8.4
207.06526	1.6
219.06488	5.6
237.07552	6.4
246.17574	0.7
259.08112	3.0
267.08582	2.6
277.09338	1.2
295.10318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16105	0.2
53.03933	0.5
55.01856	0.2
56.96556	2.2
57.03421	1.0
58.66544	0.2
61.00341	0.2
61.02903	0.4
62.02438	0.2
65.03918	0.9
69.03414	3.7
71.04964	0.4
73.02895	0.3
81.03399	6.8
83.43686	0.2
85.02886	6.4
91.05476	0.3
92.08968	0.5
93.03345	0.3
95.04327	0.3
95.04947	7.0
97.02863	4.6
98.97578	0.5
99.04446	1.0
105.07003	2.2
109.02856	2.9
109.06517	0.9
111.04430	2.1
115.04002	0.2
116.98600	0.9
119.04835	0.4
121.02842	100.0
122.03178	0.2
123.04404	1.4
127.03865	1.7
133.06461	2.5
134.99626	0.3
137.02322	1.3
137.05972	1.2
139.03886	17.5
140.04259	0.4
140.07019	0.3
141.05455	1.3
143.00128	0.4
145.04933	0.3
147.04413	0.8
151.07539	3.4
157.01778	0.3
157.05016	0.7
158.05238	0.4
159.03261	0.3
161.01208	1.0
163.03903	0.4
167.06978	0.3
187.02727	0.3
203.02251	0.3
209.01103	0.4
211.02811	0.3
229.03668	0.2
231.01566	0.3
237.00731	0.4
243.01698	0.3
244.02180	0.3
255.01678	0.5
265.07004	6.4
268.16675	0.2
273.02707	1.2
283.08063	14.2
331.30698	0.2
410.05072	0.2
411.05783	0.3
419.47098	0.2
451.17584	0.3
451.23959	0.2
452.18314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3203
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.49570	1.5
55.05502	30.9
57.03426	3.6
57.07063	3.8
58.71633	1.7
67.05492	25.8
69.07056	24.5
71.04982	3.1
79.05468	15.0
81.07031	35.5
83.04963	1.9
83.08589	18.5
91.05456	21.7
93.07021	40.7
95.04939	3.2
95.08577	64.3
97.06518	2.4
97.10174	3.7
97.75631	1.8
105.06998	43.3
107.08566	67.6
108.42635	1.9
109.06499	40.3
109.10128	47.8
111.08050	18.9
113.09672	3.0
117.07021	11.4
119.08548	67.5
121.10106	53.7
123.08094	2.3
123.11685	11.2
125.09591	3.0
129.06985	7.7
131.08551	25.8
133.10106	39.8
135.04413	2.4
135.08043	9.0
135.11650	25.2
137.09610	3.9
137.13150	2.0
142.07738	4.0
143.08536	17.8
144.09402	2.2
145.10107	48.1
147.11659	28.8
149.09618	2.7
149.13225	8.5
155.08551	9.8
156.09329	9.9
157.10092	41.3
159.08092	2.3
159.11662	38.7
161.09634	2.8
161.13187	23.9
163.03908	7.0
163.14813	9.7
167.08553	3.6
168.09277	4.1
169.10110	19.3
170.10922	3.4
171.11629	34.6
172.12517	3.0
173.09616	2.1
173.13181	25.7
175.11145	7.8
175.14746	23.9
178.12244	2.9
179.08467	2.1
179.14333	3.3
181.10149	10.4
182.10835	4.1
183.11647	25.0
184.12491	3.1
185.13205	21.5
187.11180	3.4
187.14777	21.0
189.12685	3.8
189.16389	8.0
191.14317	2.4
193.10143	8.7
193.15912	3.7
194.10959	2.6
195.11597	18.2
196.12440	8.7
197.13206	36.4
199.14813	20.5
200.15263	2.1
201.16376	12.6
203.17888	7.7
207.11653	11.9
207.13617	2.0
208.12497	2.6
209.13203	20.6
211.14717	15.8
213.12721	3.2
213.16399	7.9
215.14322	2.0
215.17886	4.2
217.15875	3.7
221.13199	13.0
223.14723	19.0
225.16364	10.8
227.14035	2.3
227.17915	9.5
229.19562	3.7
231.17361	2.1
233.13222	4.4
234.14021	2.6
235.14714	13.4
236.15457	2.4
237.16280	13.2
239.14252	2.8
239.17845	8.2
241.19441	2.6
249.16328	10.4
251.17856	13.7
253.19444	9.1
255.17442	2.8
255.20981	2.5
261.16388	3.9
263.17926	9.5
265.19455	12.4
269.18958	2.6
277.19501	9.3
279.20947	4.6
280.58813	2.2
281.22400	2.1
283.20605	10.8
291.20844	3.2
293.22549	4.0
297.18524	4.1
297.22037	7.5
299.20120	4.6
303.21219	3.3
307.24319	2.2
317.22601	3.8
319.24066	21.6
321.22278	3.8
323.19949	3.2
325.21558	3.4
331.24472	2.6
335.23715	3.2
339.23285	4.0
343.22592	33.2
345.25519	2.7
349.21481	2.3
353.25089	2.7
363.23154	2.4
365.24753	25.6
387.30219	17.0
405.31454	63.6
415.30447	2.6
423.32623	3.8
433.30881	37.4
451.31992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	27.7
57.07069	3.9
66.85604	2.9
67.05503	27.5
69.07062	30.6
70.46802	2.4
71.08615	3.4
71.69196	2.7
79.05464	16.5
81.06595	4.1
81.07040	77.4
83.04960	14.1
83.08605	18.1
85.06570	2.9
91.05464	31.4
92.09258	4.4
93.07034	56.7
95.04932	4.7
95.08603	64.2
97.06512	6.6
97.10137	13.7
105.07018	68.6
107.08587	84.8
109.06494	13.8
109.10155	37.7
111.08045	4.9
111.11726	3.3
117.07007	14.6
119.08570	100.0
121.10130	57.0
123.08038	4.3
123.11712	20.5
125.09635	5.5
127.07530	2.9
128.06213	3.4
129.06990	19.1
131.08537	48.3
133.10115	50.8
135.04372	6.1
135.11697	27.1
142.07745	6.0
143.08549	26.1
145.02844	5.3
145.10120	59.0
147.11681	25.6
149.13234	5.7
151.11217	5.6
155.08539	3.4
156.09332	4.5
157.10077	25.6
158.10846	4.7
159.11678	47.8
161.13242	27.2
163.03876	52.2
169.10098	13.4
171.11659	29.0
172.12337	3.3
173.13190	23.5
175.14777	15.7
179.08585	3.7
181.10092	4.9
183.11633	12.0
185.13206	31.2
187.14778	26.8
191.14215	4.5
191.18013	3.6
195.11581	6.0
197.13286	20.4
199.14780	21.7
201.16400	28.0
209.13261	5.2
211.14870	17.3
213.16345	36.0
215.17926	6.4
217.19452	4.7
219.17433	18.7
223.14775	2.9
229.19501	5.7
235.20419	2.9
239.17903	6.8
241.19395	5.5
251.17802	3.4
253.19473	15.1
255.21095	3.7
343.01651	3.9
387.30368	4.0
405.31454	39.9
433.31024	25.9
451.32336	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.05507	21.9
57.07057	5.2
58.84667	2.4
59.24368	2.3
59.49097	2.1
60.06356	2.0
61.24473	1.8
64.34582	2.4
67.05489	27.7
68.15401	2.0
69.07048	19.1
73.59151	2.3
79.05472	29.4
80.57244	2.1
81.07037	69.6
83.04960	20.0
83.08598	9.7
89.95093	2.6
91.05457	35.8
93.07018	54.2
95.04925	9.3
95.08578	49.2
97.06524	2.4
97.10159	2.9
105.06345	2.1
105.07007	81.9
107.08573	83.2
107.34083	2.3
109.06498	17.9
109.10143	36.5
111.08081	3.7
117.07004	16.5
119.08555	100.0
119.09381	4.1
121.10134	53.1
123.08047	4.1
123.11687	19.4
125.09617	11.6
127.07579	4.2
129.06996	15.7
130.07762	4.2
131.08539	49.6
133.10095	57.5
135.11691	21.1
141.06967	3.0
142.07707	4.7
143.08540	30.8
144.09360	3.8
145.02846	5.7
145.10095	64.6
147.11629	25.7
149.13206	10.2
151.11139	4.5
155.08549	13.3
156.09329	4.3
157.10123	33.1
158.10960	3.6
159.11661	59.6
161.13214	28.7
163.14787	4.0
169.10110	13.1
170.10873	4.5
171.11623	27.1
173.13196	26.4
175.14832	16.6
177.05461	5.3
177.16368	2.6
181.10147	3.7
183.11696	20.1
184.12378	3.9
185.13257	29.8
187.14728	32.2
189.16328	13.2
191.14272	3.9
191.17899	4.1
195.11691	11.8
197.13242	18.8
199.14772	32.2
201.16374	34.2
205.15938	3.7
209.13261	5.4
211.14809	15.3
213.16356	31.8
215.17928	8.4
219.17429	16.7
223.14803	2.6
225.16312	3.0
227.17953	4.5
237.16229	3.7
239.17920	9.9
241.19591	2.9
251.17926	5.0
253.19553	5.5
259.16998	2.5
267.21082	3.6
387.30487	3.1
405.31384	44.3
433.30927	16.4
451.26575	4.0
451.32108	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	451.32
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.48119	4.8
55.05493	7.8
57.97374	5.3
65.26936	4.8
67.05492	7.3
69.07040	6.8
79.05475	9.4
81.07018	33.6
82.54857	5.2
86.95167	5.3
91.05416	7.4
92.08965	38.5
93.07001	26.3
95.08577	46.0
105.07034	43.7
107.08559	25.1
109.10127	9.3
117.67841	5.5
119.08546	35.3
121.10113	7.2
123.08045	5.6
131.08519	8.5
133.10048	20.3
137.09645	7.4
143.08469	8.1
145.10063	40.0
147.11661	13.6
157.10077	11.9
159.11667	8.3
161.05652	6.7
161.13231	9.2
169.10057	9.4
171.11647	22.4
173.13237	9.7
175.14803	39.0
183.11649	7.1
185.13208	7.7
187.14786	5.7
197.13185	8.0
199.14688	9.2
199.38901	6.6
204.67162	6.1
209.38393	7.1
211.14771	8.9
213.16299	8.9
239.17770	5.9
293.22507	9.8
317.22354	7.7
339.23038	41.7
342.50424	6.3
348.94995	5.6
387.30328	24.2
405.31290	31.6
433.30719	35.8
451.32404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.4
53.03925	1.5
53.07153	0.8
55.01856	6.4
55.05493	5.3
57.03426	10.3
59.04976	1.3
61.02908	1.2
65.03916	4.3
67.05145	1.0
67.05488	23.9
68.99742	1.1
69.03408	25.2
69.07050	15.9
70.06199	1.3
70.06571	27.5
71.01315	5.0
71.04973	16.2
71.06895	1.2
79.05463	16.2
81.03409	1.9
81.07037	20.7
81.58860	1.1
82.41223	0.9
83.04956	13.2
83.08594	1.9
85.02412	1.5
85.02885	25.2
85.06514	2.3
86.09682	20.3
87.04443	6.1
87.04915	1.0
89.03896	1.2
91.05444	12.4
93.03363	2.4
93.07026	19.6
95.04943	28.3
95.08578	17.2
97.02868	16.3
97.06499	39.0
98.09676	4.4
99.04432	2.1
105.03345	1.3
105.06431	1.1
105.07018	13.5
107.04926	2.2
107.08578	16.5
109.02860	4.6
109.06477	4.3
109.10102	11.5
111.04413	7.2
111.08055	3.6
111.10716	0.9
115.03897	8.1
115.05413	11.5
117.03296	1.4
117.07044	6.9
119.04876	1.6
119.08547	13.1
120.08070	2.4
121.02856	2.2
121.06493	2.3
121.10120	35.9
123.04386	6.3
123.08073	4.1
123.11693	2.4
123.52310	0.9
125.09604	1.7
127.03844	1.3
127.08707	1.4
128.06142	4.0
129.05437	1.6
129.06995	5.6
131.04858	1.5
131.08504	9.8
133.02745	1.0
133.04930	6.6
133.06459	6.1
133.10100	21.3
135.04382	5.1
135.08020	5.2
135.11656	8.7
136.07529	1.3
137.05983	4.0
137.09586	16.8
138.09109	1.2
139.11156	19.7
141.06987	18.1
143.04984	1.8
143.08504	6.9
144.05681	1.4
145.02824	2.3
145.04918	1.9
145.06470	4.2
145.10083	5.6
147.04373	10.5
147.11633	6.2
149.05965	1.6
149.09587	2.0
149.13235	4.1
151.11174	8.5
152.06166	1.7
153.01735	1.4
153.12772	1.1
155.08452	1.1
157.06407	3.7
157.10138	2.1
159.04372	4.0
159.07994	4.6
159.11748	1.3
160.05161	35.8
161.02290	3.9
161.05943	91.7
163.03870	41.3
163.11115	1.7
165.05379	2.1
167.07115	2.5
167.08527	11.7
169.06488	9.5
169.10167	1.2
170.07204	1.1
171.04337	1.7
171.08022	7.4
171.11636	1.2
173.02289	6.0
173.05971	10.3
173.13304	2.1
174.06779	2.2
175.03831	5.0
175.07426	3.2
175.14833	1.2
177.05441	3.7
181.04897	4.8
181.12195	1.6
183.08031	1.8
184.05116	4.0
185.05960	2.1
185.09569	6.3
187.07501	9.5
189.01596	1.3
189.05408	5.4
189.09056	89.0
189.16444	1.2
191.14287	8.3
193.12126	1.2
195.08009	16.9
197.05948	4.1
197.09511	1.2
198.06717	2.0
199.07578	1.6
201.05463	5.7
201.08990	2.0
207.06464	1.5
209.04486	1.5
209.15346	3.9
213.09050	19.8
215.06975	88.1
216.23788	1.1
217.05098	1.6
217.08562	18.4
219.13490	1.2
223.07455	4.7
226.06242	1.8
229.15417	7.6
231.06639	1.2
231.10175	7.1
233.08183	1.1
235.16862	5.6
238.08658	2.1
241.08492	4.9
249.10973	1.4
253.17883	4.5
259.09592	100.0
271.18872	1.8
275.19846	1.7
277.10553	5.1
287.05478	2.4
288.05807	4.6
289.06055	7.4
306.14795	1.4
415.21152	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	451.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.4
53.03925	1.5
53.07153	0.8
55.01856	6.4
55.05493	5.3
57.03426	10.3
59.04976	1.3
61.02908	1.2
65.03916	4.3
67.05145	1.0
67.05488	23.9
68.99742	1.1
69.03408	25.2
69.07050	15.9
70.06199	1.3
70.06571	27.5
71.01315	5.0
71.04973	16.2
71.06895	1.2
79.05463	16.2
81.03409	1.9
81.07037	20.7
81.58860	1.1
82.41223	0.9
83.04956	13.2
83.08594	1.9
85.02412	1.5
85.02885	25.2
85.06514	2.3
86.09682	20.3
87.04443	6.1
87.04915	1.0
89.03896	1.2
91.05444	12.4
93.03363	2.4
93.07026	19.6
95.04943	28.3
95.08578	17.2
97.02868	16.3
97.06499	39.0
98.09676	4.4
99.04432	2.1
105.03345	1.3
105.06431	1.1
105.07018	13.5
107.04926	2.2
107.08578	16.5
109.02860	4.6
109.06477	4.3
109.10102	11.5
111.04413	7.2
111.08055	3.6
111.10716	0.9
115.03897	8.1
115.05413	11.5
117.03296	1.4
117.07044	6.9
119.04876	1.6
119.08547	13.1
120.08070	2.4
121.02856	2.2
121.06493	2.3
121.10120	35.9
123.04386	6.3
123.08073	4.1
123.11693	2.4
123.52310	0.9
125.09604	1.7
127.03844	1.3
127.08707	1.4
128.06142	4.0
129.05437	1.6
129.06995	5.6
131.04858	1.5
131.08504	9.8
133.02745	1.0
133.04930	6.6
133.06459	6.1
133.10100	21.3
135.04382	5.1
135.08020	5.2
135.11656	8.7
136.07529	1.3
137.05983	4.0
137.09586	16.8
138.09109	1.2
139.11156	19.7
141.06987	18.1
143.04984	1.8
143.08504	6.9
144.05681	1.4
145.02824	2.3
145.04918	1.9
145.06470	4.2
145.10083	5.6
147.04373	10.5
147.11633	6.2
149.05965	1.6
149.09587	2.0
149.13235	4.1
151.11174	8.5
152.06166	1.7
153.01735	1.4
153.12772	1.1
155.08452	1.1
157.06407	3.7
157.10138	2.1
159.04372	4.0
159.07994	4.6
159.11748	1.3
160.05161	35.8
161.02290	3.9
161.05943	91.7
163.03870	41.3
163.11115	1.7
165.05379	2.1
167.07115	2.5
167.08527	11.7
169.06488	9.5
169.10167	1.2
170.07204	1.1
171.04337	1.7
171.08022	7.4
171.11636	1.2
173.02289	6.0
173.05971	10.3
173.13304	2.1
174.06779	2.2
175.03831	5.0
175.07426	3.2
175.14833	1.2
177.05441	3.7
181.04897	4.8
181.12195	1.6
183.08031	1.8
184.05116	4.0
185.05960	2.1
185.09569	6.3
187.07501	9.5
189.01596	1.3
189.05408	5.4
189.09056	89.0
189.16444	1.2
191.14287	8.3
193.12126	1.2
195.08009	16.9
197.05948	4.1
197.09511	1.2
198.06717	2.0
199.07578	1.6
201.05463	5.7
201.08990	2.0
207.06464	1.5
209.04486	1.5
209.15346	3.9
213.09050	19.8
215.06975	88.1
216.23788	1.1
217.05098	1.6
217.08562	18.4
219.13490	1.2
223.07455	4.7
226.06242	1.8
229.15417	7.6
231.06639	1.2
231.10175	7.1
233.08183	1.1
235.16862	5.6
238.08658	2.1
241.08492	4.9
249.10973	1.4
253.17883	4.5
259.09592	100.0
271.18872	1.8
275.19846	1.7
277.10553	5.1
287.05478	2.4
288.05807	4.6
289.06055	7.4
306.14795	1.4
415.21152	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	451.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.5
53.03918	0.7
53.65455	0.4
55.01857	3.1
55.05492	2.5
56.71071	0.5
57.03414	2.6
59.04982	0.9
61.02901	0.5
67.05490	4.9
69.03402	2.8
69.06705	0.9
69.07051	14.6
71.04961	0.8
79.05050	0.8
79.05472	15.7
81.03397	0.8
81.07021	2.9
83.04965	1.3
85.02875	2.6
87.04463	1.0
89.03895	2.9
91.05468	2.1
91.55242	0.5
93.07018	2.7
95.04948	2.3
95.08566	2.5
97.02860	2.7
97.06506	100.0
98.33247	0.5
98.54116	0.5
98.97539	2.4
102.96823	0.7
105.07021	3.2
107.04936	1.0
107.08558	3.8
109.10159	0.9
111.04424	0.6
116.98615	1.1
117.03374	4.6
119.08534	2.2
120.23363	0.5
121.10124	0.7
127.03856	0.7
127.17596	0.5
131.08534	2.7
133.02844	2.3
133.10139	1.0
134.03638	1.1
135.04381	9.3
135.11658	0.6
141.06828	0.6
143.08553	1.0
145.02826	9.0
145.10083	3.2
147.04407	0.7
147.11688	0.8
157.10054	0.9
158.99631	0.6
159.04422	4.8
159.07938	0.7
159.11563	0.8
161.01141	0.9
161.02296	21.9
161.13165	0.7
163.03865	47.8
169.10188	0.6
171.04439	0.6
173.02309	38.5
173.09659	0.8
177.00635	1.0
179.38388	0.6
185.05905	2.1
186.03119	0.6
187.07455	0.7
191.03407	1.3
215.06990	41.2
219.01688	0.8
237.02745	2.0
241.02119	0.8
259.09592	78.9
293.05301	0.8
327.22467	0.9
337.21457	0.9
355.22461	1.0
373.23553	0.8
384.75360	0.5
450.19418	5.3
450.69455	2.6
451.18848	5.0
451.69101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19533	0.5
53.03926	1.3
53.30674	0.5
55.01862	4.6
55.05501	3.8
57.03412	3.3
57.03653	0.4
59.04977	2.9
60.62670	0.5
61.02913	1.0
65.03924	7.5
67.05498	7.2
69.03415	9.0
69.07059	4.1
71.04975	4.0
72.08129	0.7
77.03907	0.6
79.05473	13.5
81.03396	3.3
81.07029	6.8
82.04181	2.5
83.04962	7.7
84.04489	1.2
85.02882	11.5
86.03215	0.7
86.09679	2.9
87.04438	2.7
91.05466	6.6
93.03368	1.0
93.07019	5.5
93.90659	0.5
95.04945	10.1
95.08571	5.7
97.02874	13.7
97.06507	8.0
98.03202	2.8
99.04430	1.0
101.05984	0.9
103.05431	2.3
105.06998	10.4
107.04935	18.2
107.08595	5.1
108.02077	1.3
109.02835	2.7
109.06508	2.7
109.10120	3.5
110.03658	5.7
111.04418	4.6
111.08061	0.6
113.05975	0.8
115.03900	1.3
115.05437	3.4
117.03380	0.9
117.06972	0.9
119.04922	3.3
119.08554	3.9
120.08078	0.9
121.02840	5.0
121.06469	1.2
121.10120	4.2
123.04387	6.1
123.07948	1.1
123.11664	0.6
124.05205	3.2
125.05940	5.2
125.09623	0.8
127.03893	2.2
127.07530	0.9
127.11171	1.1
129.06961	1.0
131.04887	3.8
131.08551	5.0
132.05690	0.6
133.02826	1.4
133.04953	1.1
133.06453	10.7
133.10110	2.6
135.04414	1.2
135.11633	0.8
136.07471	0.5
137.02342	0.6
137.05954	8.2
137.09537	2.0
138.03110	2.8
139.03905	0.7
139.07512	0.8
139.11172	0.9
140.04643	1.2
141.06964	3.9
142.02551	3.7
143.04858	0.7
143.08534	0.9
144.05663	0.9
145.02783	0.9
145.04906	1.2
145.06525	1.3
145.10123	1.0
147.04352	3.4
147.11624	1.2
149.05960	1.1
149.09599	1.3
149.13240	1.2
151.03854	1.0
151.07553	2.6
152.04648	1.2
153.05397	1.8
155.07005	3.3
157.10121	1.0
157.12201	0.7
159.04372	1.3
159.07968	2.3
159.11691	1.3
160.05182	1.0
161.02356	1.2
161.05933	13.9
161.13222	0.6
162.06636	1.1
163.03854	3.1
163.11192	0.8
165.05408	4.6
167.07002	22.2
167.14261	2.7
169.06404	9.4
171.06497	10.8
171.07892	1.0
171.11560	0.6
173.02266	2.0
173.05901	3.1
173.13109	0.7
175.03850	4.2
175.11166	0.7
177.05548	0.9
178.06166	0.8
179.06975	2.5
180.07751	4.0
181.04910	100.0
183.06522	1.2
187.03860	0.5
187.07472	7.6
189.05472	2.6
189.09151	0.8
191.06993	1.2
193.08580	14.7
195.08003	0.9
197.04372	1.8
197.05969	6.5
198.06758	1.1
200.04651	10.2
206.05812	1.3
207.06456	1.2
215.06995	19.3
217.08635	0.8
217.15796	0.7
219.06355	0.6
221.08026	23.6
235.16833	1.3
249.07487	7.4
253.14249	1.0
259.09604	18.0
296.68790	0.6
315.08511	0.7
372.11826	0.6
373.12848	0.6
403.13760	46.2
433.14932	2.9
451.15530	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	450.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54785	3.7
55.05485	5.4
59.34416	3.8
59.60122	3.8
67.05485	19.4
69.07056	4.5
69.44093	3.5
78.48032	4.2
79.05457	16.9
81.07030	28.8
83.08584	4.5
91.05434	21.0
93.06999	22.4
95.08572	25.0
105.06992	27.2
107.08563	28.7
109.10129	8.7
116.24258	4.0
117.07020	8.5
119.08553	35.3
120.55024	4.2
121.10102	9.0
129.06932	6.0
131.08514	22.2
133.10080	19.3
135.11621	7.1
143.08559	9.7
145.10114	21.9
147.11670	20.3
155.08482	6.0
157.10060	17.1
159.11676	18.6
161.13220	17.2
169.10092	8.2
171.11618	5.2
173.13155	5.3
175.07483	17.0
183.11653	17.1
185.13145	5.3
195.11600	6.6
197.13142	4.9
199.14755	8.3
211.11084	4.9
227.10570	16.3
229.12181	16.7
291.20917	6.7
309.21918	6.9
337.21576	75.6
355.22699	63.2
373.23563	100.0
436.15942	5.2
440.74609	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	450.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65477	0.3
55.05281	0.4
55.05497	5.4
55.36801	0.4
57.03416	0.5
65.03905	0.8
67.05486	39.3
69.07048	6.5
71.04960	1.0
75.22175	0.4
79.05472	9.5
79.36993	0.4
81.07030	40.7
83.08599	5.2
85.06506	0.8
91.05452	13.5
93.06469	0.8
93.07017	11.9
95.04909	0.6
95.08575	41.5
97.06512	3.2
97.10140	2.3
98.98434	3.0
99.70879	0.4
105.06981	4.2
107.08569	6.6
109.10134	21.1
111.08031	0.9
119.04913	27.1
119.08553	4.0
120.65235	0.4
121.10120	8.1
123.11656	6.9
127.89712	0.4
131.08543	2.0
133.10089	10.2
135.11652	6.5
137.09563	2.4
137.13191	2.2
145.10077	2.0
147.04376	100.0
147.11652	2.0
148.04736	0.6
149.13232	3.8
151.11176	5.8
153.12717	0.4
155.10634	0.8
159.11647	2.9
160.28209	0.4
165.05426	8.5
169.12245	0.8
173.13275	2.2
187.14743	0.6
193.04979	0.7
195.13789	1.0
196.94205	0.4
203.73708	0.4
215.17885	9.7
233.18881	7.2
251.19984	27.3
251.22601	1.0
269.21124	1.7
335.25830	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	450.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09743	2.2
54.26503	2.1
55.01837	2.6
55.05488	4.2
57.58469	2.2
67.05486	15.1
69.07069	4.4
79.05468	14.5
80.54941	2.7
81.07030	24.9
83.08607	3.1
85.02895	3.9
91.05453	24.7
93.07034	29.1
95.08598	12.6
95.48495	2.6
97.06516	3.7
97.10155	3.1
105.07014	29.9
107.08565	28.5
109.10136	6.2
117.06989	14.6
119.08570	25.5
121.06429	3.7
121.10126	13.7
125.05940	3.7
129.06989	11.3
131.08524	22.9
133.06506	2.8
133.10126	15.0
135.11655	10.0
137.06047	2.8
143.08533	18.2
145.10118	23.5
147.08009	3.7
147.11681	21.5
149.13213	4.0
155.08519	16.8
157.06540	2.8
157.10098	12.8
159.11681	24.4
161.13216	25.3
163.07533	3.5
169.10089	10.8
171.08060	3.1
171.11635	11.2
173.13249	6.7
175.07542	17.9
181.10115	6.6
183.11655	14.5
185.13235	12.2
187.07480	3.4
187.87074	3.1
189.09113	3.6
190.75288	3.5
195.11700	3.9
197.13338	9.2
199.14758	4.7
203.10628	5.3
209.09592	3.2
209.13208	4.2
211.11169	4.8
211.14755	4.4
215.10738	3.2
215.17888	4.7
227.10635	11.7
229.12222	18.9
234.10585	3.2
241.12100	4.6
243.13741	4.3
253.19464	3.8
291.21072	5.1
309.21893	3.9
314.67807	3.0
319.20569	14.2
337.21564	94.5
337.25565	4.6
355.22589	83.7
373.23624	100.0
395.08517	3.2
433.25699	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	450.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53704	0.9
53.03938	1.0
55.05505	2.7
58.92583	1.2
67.05493	14.1
69.03413	1.6
69.07050	4.8
69.32527	1.1
77.00336	1.1
79.05477	16.4
81.07034	21.8
83.08600	5.8
84.69282	1.2
85.02920	1.9
91.05460	24.9
93.07022	25.1
95.04955	5.0
95.08579	17.4
100.73385	1.3
105.07009	33.9
107.08589	27.2
109.06512	2.4
109.10136	14.3
111.04470	1.1
115.05402	1.4
115.79997	1.3
116.06285	1.3
116.72253	1.2
117.06995	10.5
118.50010	1.2
119.08563	24.0
121.06445	1.5
121.10122	12.0
127.18032	1.2
128.06194	5.2
129.06978	14.2
130.07835	1.2
130.91122	1.3
131.08528	25.7
133.06520	1.7
133.10109	19.0
135.11690	9.0
141.05429	1.4
141.06976	7.0
142.07808	2.2
143.08545	22.6
144.09320	1.6
145.10100	23.1
147.08006	5.3
147.11673	24.5
149.05922	1.9
149.13226	6.5
154.07777	1.5
155.08554	11.0
157.06482	2.6
157.10104	16.1
159.08017	2.0
159.11676	23.8
161.09584	1.3
161.13245	21.0
163.07538	5.5
165.06943	2.0
166.07669	1.5
167.08490	4.8
168.09320	2.9
169.10071	12.8
171.07950	1.6
171.11629	9.6
173.09578	1.6
173.13268	8.6
175.07526	22.5
175.11169	1.3
175.14807	1.5
177.09091	2.5
179.08545	1.6
181.10078	6.8
183.11653	18.8
185.09581	2.2
185.13237	7.3
187.07487	2.8
187.14818	4.9
189.09038	5.9
190.63634	1.1
193.08533	1.7
195.11716	8.4
196.12526	1.7
197.09518	1.4
197.13245	7.2
199.11087	2.4
199.14813	8.4
201.12712	2.3
201.16281	1.5
203.10635	2.9
207.11687	2.0
209.09570	3.0
209.13152	8.8
211.11182	5.0
211.14799	5.4
213.09070	2.8
213.16393	2.5
215.10658	2.5
215.17931	5.5
217.12199	1.6
221.13268	2.3
223.14813	2.1
225.12657	1.3
225.16330	1.7
227.10623	14.6
229.12160	17.8
235.14862	4.6
237.16234	1.8
241.12199	7.4
243.13757	6.3
249.16321	2.8
251.17857	1.9
253.19484	5.5
255.13853	9.4
263.17990	1.6
270.61905	1.3
277.19495	5.0
281.15350	2.1
291.20984	7.6
309.22012	6.6
319.20432	11.0
337.21561	99.2
355.22592	91.5
373.23651	100.0
397.23703	1.3
433.26123	8.5
462.48444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24018	1.0
53.03952	1.2
53.73409	0.9
55.05502	2.3
60.61943	1.0
67.05493	13.0
69.03416	1.7
69.07043	2.1
73.99107	1.2
79.05464	21.7
81.07030	19.1
83.04953	1.4
83.08586	2.5
91.05448	27.5
93.07027	25.5
95.04950	5.4
95.08591	18.8
97.06541	1.4
103.05501	1.2
105.07007	32.0
107.08584	29.1
109.06489	2.7
109.10139	6.8
117.06979	7.9
119.08547	22.5
121.06455	2.8
121.10116	14.3
123.04384	4.9
123.11633	1.4
123.53704	1.3
125.05914	2.2
128.06177	2.8
129.06996	9.7
131.08528	22.5
133.06480	1.5
133.10100	14.4
135.08006	1.5
135.11693	6.7
137.05887	1.2
139.03923	1.6
139.07468	1.8
141.05486	2.5
141.06976	5.3
143.08571	17.4
145.06471	1.6
145.10115	20.5
147.07990	4.5
147.11646	17.4
149.13237	2.6
151.07567	1.8
155.08540	14.1
156.09332	1.8
157.06479	1.4
157.10089	17.2
159.08012	1.8
159.11661	20.0
161.09662	1.8
161.13223	11.0
163.07520	5.0
167.08563	2.6
168.09288	5.8
169.10106	11.7
170.10762	1.8
171.08093	2.4
171.11656	7.7
173.09622	2.2
173.13226	7.2
175.07497	19.5
176.08336	1.9
177.08994	2.0
179.08356	1.6
180.09019	1.4
181.10101	7.6
183.11624	13.8
185.09615	1.3
185.13159	9.9
187.07489	1.8
187.11186	1.8
187.14833	5.4
189.09061	6.0
194.10895	1.5
195.11652	8.9
197.13280	9.9
199.11166	2.1
199.14790	7.8
201.12772	1.4
201.16345	2.0
203.10669	2.5
207.11705	2.2
209.13187	5.0
211.11162	7.1
211.14613	3.3
213.09143	1.9
213.12747	2.0
213.16327	2.4
215.10779	1.7
215.17908	5.2
217.12178	1.4
221.13196	5.1
223.11188	1.6
223.14787	2.0
225.12755	6.3
225.16156	1.4
227.10710	4.4
229.12212	13.1
231.13821	6.1
235.14769	3.0
241.12206	6.5
242.16989	1.3
243.13719	19.4
249.16306	2.2
251.18008	1.9
255.13675	5.3
277.19366	1.7
291.20966	5.7
309.21701	4.1
319.20651	5.4
337.17700	2.4
337.21536	42.6
354.20590	2.0
355.22607	90.5
372.21176	1.6
373.23657	100.0
409.18527	4.5
427.19476	15.6
433.25653	6.3
445.20496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04858	1.1
55.01865	2.7
55.05508	11.8
57.03433	1.7
57.69259	1.2
58.99564	2.6
67.05492	47.1
68.77499	1.2
69.03393	1.4
69.07037	8.8
70.06573	2.0
71.04972	12.7
73.02877	1.7
74.00645	35.2
76.02204	6.7
77.38917	1.2
79.05048	2.3
79.05474	49.6
79.98860	1.1
81.03423	2.0
81.07037	58.9
83.04967	3.3
83.08595	3.1
85.01077	1.2
85.02892	5.8
85.06522	10.1
87.02670	2.1
87.28997	1.3
87.39590	1.4
88.03973	13.2
91.05448	26.4
92.01648	2.1
93.07021	40.9
95.04926	8.7
95.08012	1.6
95.08586	44.3
97.01118	1.7
97.02872	2.9
97.06499	9.4
99.02680	1.3
105.00057	2.2
105.06355	2.2
105.07008	38.2
107.04951	1.7
107.08575	30.4
109.06479	7.4
109.10142	21.0
111.02654	2.4
111.08073	2.3
113.05976	1.3
113.09640	2.6
117.06996	9.9
119.08557	30.8
120.00315	2.1
120.01148	47.4
121.02837	1.9
121.06452	5.0
121.10116	51.1
122.02689	6.2
123.08041	42.1
123.11687	1.5
124.07576	2.1
127.10930	1.4
129.06989	2.1
129.12845	1.3
131.08557	14.2
133.10091	23.3
134.33969	1.5
135.07980	5.9
135.11658	23.8
137.09589	6.3
139.07590	2.6
141.07088	1.3
141.09103	2.7
143.08531	2.3
144.51512	1.5
145.10103	19.5
147.04379	1.6
147.11639	12.2
149.09584	5.2
149.13229	3.2
151.07516	8.3
151.11113	5.3
153.12683	1.6
157.10118	2.7
159.11682	6.1
161.09595	6.7
161.13142	3.4
163.03860	2.3
163.11142	15.5
171.11676	3.2
173.13242	9.7
175.11232	2.3
177.31631	1.4
179.09023	1.6
179.10614	6.1
181.12257	9.3
191.14241	2.8
193.12083	1.8
198.14880	1.7
206.04419	1.9
213.09157	1.7
215.06964	1.9
219.08223	1.6
239.17882	2.2
257.18915	2.5
259.09625	5.9
275.19937	9.2
285.11441	1.8
286.10745	2.1
287.05328	6.0
288.05865	16.1
293.21011	7.9
295.22571	1.9
302.14230	6.4
310.23618	3.2
311.22009	19.2
336.06985	1.4
368.22449	8.5
386.23419	1.9
397.20319	2.0
414.22974	28.4
432.24075	100.0
450.14359	7.1
450.25034	22.8
470.65402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12173	0.8
53.00298	1.4
53.03938	1.3
53.27749	0.7
53.45680	0.7
54.21170	0.7
54.81648	1.1
55.01855	1.3
55.05494	1.7
57.03428	33.6
59.04977	6.1
60.04512	2.2
61.02912	2.1
63.99999	0.8
65.03884	0.8
67.05481	5.5
69.03416	100.0
70.06554	2.0
71.04967	4.1
71.72767	0.8
73.02895	5.1
74.00636	1.0
75.04455	5.7
79.05470	11.5
81.03386	4.6
81.07021	5.7
83.04950	1.4
85.02892	73.2
85.06525	1.7
86.09703	1.7
86.50574	0.9
87.03941	1.9
87.04452	52.9
90.35376	0.9
91.05445	5.1
92.08894	3.3
93.07037	7.7
95.04953	4.3
95.08576	4.5
97.02872	64.0
97.06499	4.0
98.97575	1.1
99.04448	4.0
105.07011	4.4
107.04942	43.0
107.08565	4.8
109.02869	3.7
109.06521	1.1
109.10098	1.3
115.03911	54.6
117.07021	1.7
119.08559	5.0
121.06441	5.0
121.10136	1.5
123.04396	1.1
123.08020	1.3
125.05956	2.2
127.03876	6.5
129.06880	1.5
131.08530	2.3
133.04944	53.6
133.10109	1.7
135.08022	4.7
137.05956	1.2
137.09608	1.7
139.07520	37.8
140.04663	1.8
145.04935	5.2
145.10109	1.2
147.11710	1.6
149.05922	1.3
149.09569	1.4
150.07588	2.2
151.07538	4.0
155.10667	1.5
163.07491	4.1
171.06587	1.0
173.05869	1.2
175.07463	2.1
181.04926	24.3
189.09047	1.3
199.05974	1.2
200.04800	0.9
205.08505	1.7
217.08621	1.5
217.12086	1.2
237.02559	1.0
239.70799	1.0
248.45488	1.0
253.14288	2.1
259.07922	3.8
279.06378	1.0
300.09491	1.2
301.01874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42044	0.4
53.03928	0.9
55.01856	2.4
55.05509	1.0
57.03428	15.1
59.04982	3.6
60.04503	0.7
61.02908	1.0
66.83723	0.4
67.05479	0.6
69.03414	41.6
70.45603	0.5
71.04961	2.2
73.02903	0.8
75.04456	2.5
79.05494	0.8
81.03387	2.4
81.07030	0.9
83.04963	1.2
85.02887	31.3
85.06577	0.4
87.03936	1.2
87.04449	25.7
91.05462	3.6
92.08992	3.0
93.07030	4.5
95.04958	0.6
97.02867	33.1
97.06504	0.9
99.04391	1.8
103.03910	0.7
103.05434	2.4
105.07001	1.0
107.04915	1.0
107.08591	0.6
109.02827	0.9
109.06489	0.7
109.10173	1.0
111.04426	0.7
115.03908	24.1
117.06971	4.8
119.04927	1.1
120.05271	0.6
121.02840	8.6
121.06478	100.0
127.03864	4.0
131.08517	2.7
133.04947	20.7
133.06442	6.3
133.10146	0.5
137.39410	0.5
139.03894	3.1
139.07509	11.2
141.06949	1.2
145.04945	3.7
145.06456	11.4
147.04375	4.8
148.04742	2.9
150.07607	2.9
151.07515	3.1
151.61818	0.6
155.10632	1.2
157.06470	0.7
159.08031	2.8
163.03842	0.8
163.07507	11.8
167.07025	3.1
169.06398	0.6
171.07941	0.7
181.04991	0.8
187.07507	17.2
205.08528	11.1
217.08617	5.9
235.09587	2.6
259.07913	1.0
261.19370	0.6
271.11765	0.7
283.08017	2.2
295.10184	0.9
328.17181	0.6
358.63620	0.5
458.45309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.8
54.94859	0.8
55.01852	2.7
55.05496	1.9
57.03177	1.5
57.03427	31.9
59.04978	6.8
60.04499	1.8
60.26574	0.9
61.02915	2.2
64.73119	0.9
67.05479	5.6
69.03414	100.0
69.07047	1.3
70.06563	1.3
71.04960	4.5
73.02894	4.3
75.04443	8.0
79.05462	12.1
81.03381	5.5
81.07025	7.0
83.04958	1.7
84.04486	1.2
85.02885	70.2
85.06482	1.3
86.09697	1.7
87.04448	52.9
91.05442	6.4
92.08979	6.8
93.07012	9.7
95.04945	4.5
95.08568	5.0
97.02863	64.9
97.03493	2.2
98.97564	1.4
99.04436	1.9
100.11135	1.1
105.06992	6.5
107.04939	43.7
107.08561	6.7
109.02888	1.8
109.10146	1.1
111.04358	1.2
115.03909	58.2
117.06961	2.4
119.08531	4.6
121.06480	4.4
121.10095	2.5
123.08057	1.3
125.05965	2.0
127.03914	4.5
129.07021	1.5
131.08533	2.5
133.04935	60.5
133.10114	2.0
135.08026	5.0
135.11647	1.2
137.09564	1.5
139.07518	38.0
140.04579	1.6
144.06599	1.5
145.04924	7.0
145.06396	1.4
150.07607	5.7
151.07553	2.3
157.10165	1.3
158.07922	1.1
159.11658	1.4
163.07520	4.4
169.05008	1.2
171.06506	1.7
175.07448	4.3
181.04915	24.6
181.08601	2.7
189.16301	1.2
199.06067	1.9
205.08585	2.3
217.08603	1.4
217.12186	1.5
233.53809	1.3
235.13217	1.5
235.16916	1.4
237.02916	1.3
241.06888	1.1
253.14279	1.7
259.07941	1.5
295.10214	1.4
301.57446	1.1
309.28879	1.1
338.48856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2895
Annotation	Xenortide B
Peak:m/z	Relative Intensity
51.15889	1.2
54.81812	1.5
55.05486	1.5
56.49798	1.2
67.05475	2.8
69.07050	29.7
81.07018	3.0
82.89259	1.4
83.01331	3.3
86.64165	1.7
91.05466	1.7
92.08805	10.9
93.07008	3.6
95.08583	3.5
104.43220	1.5
107.08552	7.1
107.82257	1.9
109.06510	2.2
109.10146	6.8
119.08522	2.0
121.06474	2.8
121.10146	2.4
123.11682	22.7
131.08574	1.7
135.08022	3.5
135.11662	7.2
137.05858	2.0
147.04376	1.9
149.09598	6.5
151.07480	2.9
153.05409	6.7
159.08026	8.6
162.06737	3.0
163.07532	14.1
165.04131	3.7
165.05455	86.2
177.09059	22.7
187.07547	2.6
205.08569	82.6
214.78120	1.7
221.11670	35.3
223.09607	100.0
255.08569	1.6
287.16403	21.6
291.15906	8.1
305.17432	3.4
343.22586	2.4
345.20660	21.0
357.20276	3.3
363.21463	7.5
413.26642	3.2
449.29846	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2532
Annotation	Ugaferin
Peak:m/z	Relative Intensity
55.01863	1.5
55.05492	6.9
56.35048	1.2
57.26896	1.0
67.05491	25.1
69.03419	1.0
69.07060	9.2
72.69676	0.9
79.05479	29.2
81.03420	1.0
81.07038	27.4
82.07462	1.0
83.08598	12.4
85.06541	2.2
91.05459	25.9
92.09268	2.2
93.07020	36.2
95.04948	1.7
95.08585	23.6
97.06480	2.5
97.10121	2.0
99.08069	2.1
101.51489	1.0
105.07027	10.2
107.08583	26.7
109.06499	1.3
109.10143	10.5
111.08049	6.3
117.03385	1.6
117.06984	4.1
119.04922	35.2
119.05701	2.0
119.08549	15.0
121.10130	36.6
123.08031	3.9
123.11643	1.9
125.09664	1.4
126.51346	0.9
131.08548	7.2
133.06485	5.9
133.10089	15.6
135.04378	6.3
135.08041	4.4
135.11679	13.1
137.09624	9.9
143.08586	1.3
145.02831	5.0
145.10120	2.2
147.04388	100.0
147.11681	8.3
149.09615	4.5
149.13200	1.3
150.87006	1.1
151.11153	6.2
153.09093	5.0
157.10138	1.9
163.03839	22.2
165.05428	2.3
171.11607	2.5
173.13231	1.6
181.04918	2.2
185.75710	1.2
197.09691	0.9
203.17795	1.4
213.16264	7.7
231.17441	8.7
249.18433	79.5
251.20074	4.5
267.19452	15.4
285.20471	1.8
286.95190	1.1
464.80164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01931	1.4
53.60087	1.7
55.01860	2.5
55.05511	26.1
55.28854	1.5
56.83749	1.8
57.03434	21.8
57.07059	7.6
60.73344	1.7
67.05494	54.8
67.24921	1.7
68.88007	1.6
69.07057	33.3
70.06590	1.9
79.05486	16.9
81.07039	58.5
81.87756	1.6
83.08588	13.1
83.35667	1.8
88.00729	1.7
88.07627	3.2
91.05453	13.2
93.07047	19.3
95.08581	47.8
97.06507	4.1
97.10153	7.2
105.07019	8.3
107.08584	13.4
109.10138	14.2
112.99999	100.0
116.01569	1.8
119.08551	8.5
121.10106	4.6
123.11713	7.7
131.08566	2.1
133.10089	8.2
135.11690	3.2
145.10101	1.9
147.04382	4.3
149.13258	2.4
161.13168	2.5
169.02591	34.8
171.47437	2.1
175.03835	4.7
187.03603	7.6
219.06480	9.5
245.22746	2.9
256.26321	2.9
263.23495	8.2
279.00223	2.0
337.27304	69.7
409.52890	2.2
449.31161	17.4
461.43466	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	449.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
55.05506	4.5
57.03435	0.5
63.84566	0.4
67.05493	11.5
69.07063	4.5
78.62688	0.4
79.05476	14.7
80.23454	0.4
81.07039	11.0
82.07909	0.4
83.08598	5.2
90.89800	0.4
91.04954	0.8
91.05466	16.2
93.07023	20.2
95.04921	1.0
95.08585	9.0
97.06501	2.4
97.10152	1.8
97.11910	0.4
98.97906	0.4
99.08047	2.1
99.93729	0.5
104.80889	0.5
105.04571	0.4
105.07016	5.2
107.08582	15.2
109.06450	1.6
109.10116	4.2
111.08065	2.5
117.06969	1.9
119.04923	26.7
119.08556	6.3
121.10120	22.0
123.04388	0.8
123.08047	3.1
123.11695	0.7
125.09619	1.0
131.08545	3.6
133.06444	0.7
133.10092	6.5
135.08044	1.9
135.11678	7.4
137.09601	7.5
139.11104	0.8
145.10063	1.9
147.04396	100.0
147.11684	4.3
149.08423	0.5
149.09563	4.1
149.13251	0.8
151.11177	3.2
153.09097	2.4
157.10147	0.9
161.13251	0.7
163.03882	1.1
165.05440	11.8
171.11604	1.0
185.13274	0.5
187.14824	0.5
189.16438	0.5
203.14258	0.6
203.17923	0.9
213.16310	5.3
231.17384	5.2
249.18451	54.7
252.31735	0.5
267.19507	9.1
285.20547	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	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.63578	0.1
53.03928	1.0
55.01856	0.7
57.03434	1.6
61.02666	0.1
61.02912	2.1
65.03887	0.2
67.05475	0.4
68.99758	1.0
69.03069	0.3
69.03416	5.4
69.07055	0.3
70.06564	0.2
71.04967	0.8
73.02896	0.7
79.05457	1.0
81.03397	2.9
81.07027	1.0
83.01323	0.3
83.04971	0.3
85.02890	12.2
85.06504	0.3
87.04414	0.3
91.03909	0.4
91.05459	0.3
93.07005	0.9
95.04934	0.2
95.08581	0.9
97.02865	3.9
97.06512	0.2
99.04428	0.3
105.03354	0.4
105.06994	0.4
107.04958	0.4
109.02886	1.8
109.10129	0.2
111.00783	1.2
119.08554	1.0
119.38032	0.2
120.08067	0.2
121.02839	4.4
121.10128	0.8
127.03879	1.7
129.06987	0.2
131.08524	0.4
133.02800	0.3
133.10069	0.2
135.08020	0.3
137.02306	1.5
137.06047	0.2
141.06935	0.3
144.74754	0.2
145.02788	0.2
145.04939	1.0
145.06535	0.2
145.10121	0.4
147.04384	1.0
147.11697	0.2
153.01799	6.5
157.06474	1.0
161.05997	0.2
165.01793	3.2
166.08521	0.2
167.08884	0.2
171.04230	0.2
183.02913	1.5
185.05951	1.0
213.05379	2.4
229.08304	0.2
231.06377	1.5
233.15297	0.3
241.04904	1.3
258.05176	2.1
259.05923	0.7
261.66147	0.2
287.05441	100.0
288.05704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81446	5.4
55.05505	13.0
57.33846	4.1
60.04506	7.9
60.49708	5.1
67.05482	39.0
69.03393	8.8
69.07041	5.1
79.05476	52.9
81.07037	48.1
83.08612	5.6
83.60712	5.6
91.05450	34.5
93.07011	57.3
95.04967	6.4
95.08594	48.8
105.07000	64.4
107.08567	58.5
107.60155	6.0
109.10146	11.1
117.06978	31.2
119.08539	29.0
121.10121	11.7
125.05955	11.2
129.06969	12.4
131.08510	48.8
133.10126	29.2
135.08014	6.6
141.06976	7.4
142.07761	7.0
143.08511	33.9
145.10129	46.7
147.11687	8.3
149.09720	8.4
155.08531	25.1
157.10121	26.5
159.11664	32.3
160.72379	5.7
161.13263	8.7
169.10092	10.5
171.11671	25.7
173.13284	24.4
175.14812	10.7
181.10020	19.2
183.11711	11.8
185.09564	7.5
185.13235	14.0
187.14807	6.2
189.09088	9.6
199.14682	6.4
201.75220	5.4
203.79463	5.8
221.13223	7.6
227.10748	7.0
227.17842	23.3
233.13232	9.5
307.20520	11.4
320.63553	6.0
335.20044	46.9
353.20990	100.0
371.22116	78.5
372.22330	8.4
386.88959	6.3
389.23380	11.1
431.24316	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35294	0.3
53.22229	0.3
54.81284	0.4
55.05501	4.9
57.04856	0.3
58.88473	0.3
65.03924	0.4
67.05145	0.9
67.05493	25.4
69.07055	3.6
79.05473	6.4
81.07039	30.5
83.04942	0.6
83.08593	4.7
83.72044	0.4
85.06532	0.7
89.03901	4.5
89.77979	0.4
91.05461	6.0
92.08590	0.4
93.07029	8.6
95.04954	0.9
95.08585	30.3
95.09203	1.0
97.06490	1.0
97.10163	1.0
105.07014	5.3
107.04923	2.8
107.08566	6.2
109.06509	0.5
109.10140	15.3
109.10858	0.9
109.89772	0.4
111.08104	0.7
117.03356	7.9
117.06956	0.6
119.08575	4.1
121.10107	7.2
123.08060	0.5
123.11682	4.9
125.09669	0.5
131.08519	2.0
133.10092	7.9
135.04391	22.2
135.11674	6.6
137.09572	1.6
137.13222	1.8
145.02829	18.0
145.10143	2.3
147.11642	2.9
149.13249	2.4
151.10072	0.4
151.11176	3.9
159.11658	2.4
161.13229	0.9
163.03870	100.0
163.11136	0.9
165.12784	0.5
173.13252	1.8
175.14796	0.7
177.12759	1.0
181.04887	9.9
181.12215	0.7
185.13177	0.5
187.14841	0.7
189.16344	1.9
207.17494	1.8
209.15285	0.5
215.17938	7.3
233.18950	4.0
251.20009	10.7
256.98508	0.4
402.20789	0.5
413.30389	0.6
431.31784	1.6
432.31647	1.9
440.51016	0.5
449.28629	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	448.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
57.42664	0.4
67.05489	2.4
79.05434	0.5
92.09216	0.6
93.01859	0.5
93.07009	1.7
95.60933	0.5
109.10143	3.8
119.08511	3.4
121.06476	13.7
122.07240	0.9
125.05997	0.6
135.08052	0.9
136.08820	17.2
137.09583	15.9
149.02272	0.5
149.05951	0.7
149.09557	1.9
152.08376	0.7
154.04037	0.5
164.02034	0.5
164.08295	29.7
165.09077	100.0
177.09019	0.8
190.09877	0.7
205.12210	6.1
228.16855	0.5
242.87874	0.5
276.81155	0.5
349.19623	0.6
413.18369	0.6
430.37994	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05731	0.1
53.03926	0.6
55.01846	0.8
55.05498	0.4
57.03434	1.5
59.04962	0.2
61.02908	1.9
63.82338	0.1
67.05486	1.3
68.99767	0.8
69.03067	0.2
69.03416	5.5
71.04966	1.1
73.02894	0.8
75.36324	0.1
77.94183	0.1
78.72010	0.1
79.05459	1.0
79.95251	0.1
81.03403	2.5
81.07045	1.3
83.01289	0.2
85.02889	11.8
86.09702	0.2
87.04434	1.2
91.03922	0.3
91.05463	1.2
93.07028	1.1
95.04931	0.3
95.08565	1.2
97.02876	4.2
97.06496	0.3
99.04424	0.7
105.03339	0.3
105.07017	0.9
107.04936	0.9
107.08553	0.6
109.02854	1.9
109.10157	0.3
111.00795	1.1
111.04408	0.2
115.03899	0.3
117.07020	0.7
119.08559	6.2
119.17050	0.2
120.08903	1.6
121.02843	4.8
121.03756	0.2
121.06509	0.2
121.10153	0.2
123.08056	0.2
127.03871	2.0
129.06963	0.3
131.08531	0.7
133.02859	0.6
133.04912	0.2
133.10162	0.7
135.11650	0.2
136.07494	0.2
137.02310	1.6
137.09654	0.2
141.56975	0.2
142.07748	0.2
145.04938	1.1
145.06404	0.4
145.10074	0.7
147.04401	0.8
147.11615	0.2
153.01813	6.2
157.06454	0.8
157.10083	0.2
159.11679	0.3
161.05988	0.2
164.07079	0.3
165.01779	2.7
171.04291	0.2
173.05807	0.2
183.02925	1.5
183.08104	0.2
185.05916	1.0
185.13390	0.2
207.11371	0.2
213.05418	2.6
229.08559	0.8
231.06548	1.1
241.04875	1.8
257.08170	0.2
258.05151	2.0
259.05975	0.8
269.04224	0.2
269.20966	0.2
279.23602	0.2
287.05438	100.0
288.05673	1.1
353.20898	0.4
382.95630	0.2
413.19983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	35.7
57.07062	9.6
58.53960	3.9
65.00530	4.4
67.05486	19.3
69.07060	31.1
70.01125	3.3
70.70772	4.8
71.04955	4.3
79.05495	7.5
81.07042	46.4
83.04984	5.8
83.08615	26.9
83.23779	3.9
85.06522	4.4
91.05453	6.8
92.08710	9.0
93.07028	36.4
95.08586	53.3
97.10149	27.9
99.04437	23.4
101.06000	7.0
102.17304	5.1
105.07014	26.6
107.08573	64.7
109.10133	47.3
111.08043	5.2
117.81849	5.7
119.08544	57.6
121.10143	45.7
123.11684	20.7
125.09578	5.7
133.10120	46.1
135.11671	40.7
137.09631	5.1
143.08577	6.3
145.10103	17.3
147.11673	32.7
148.38110	4.3
149.09602	8.3
149.13243	21.0
157.10066	4.4
159.11691	21.8
161.13260	10.9
163.11191	8.0
167.10635	7.2
173.13226	8.4
175.11206	5.8
175.14821	5.9
177.12633	7.8
181.12251	10.6
183.11644	6.4
185.13512	5.4
187.11200	5.5
189.12712	6.1
193.12140	5.9
195.13834	19.1
207.13817	5.5
211.14844	6.0
213.16576	4.9
218.60600	4.9
219.17491	9.0
225.16348	7.6
235.16905	6.8
237.18480	5.1
247.16998	6.3
261.18344	7.1
263.19977	8.9
275.20032	5.7
280.20691	5.1
395.29236	30.1
413.30432	64.9
431.31522	100.0
448.27252	25.2
448.33527	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	448.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	6.5
57.07056	4.7
67.05498	5.9
69.07065	11.9
81.07035	20.4
83.08614	8.0
91.05448	5.0
93.07027	23.0
95.08540	38.4
105.07027	28.8
107.08586	53.8
109.10170	24.8
114.98686	4.4
119.08593	52.2
121.10103	40.2
123.11692	10.4
131.08522	8.0
133.10110	31.7
135.11678	52.4
136.78484	5.1
145.10129	10.7
147.04382	8.5
147.11673	35.0
149.13274	19.3
153.12749	18.9
159.11684	6.8
161.13190	6.8
163.14812	33.2
187.14764	10.3
189.16357	57.8
199.14790	8.0
205.15848	6.0
207.17426	63.3
219.06508	6.6
269.22549	11.9
291.27133	4.9
354.54568	6.8
361.98828	6.4
395.33047	40.1
413.34012	26.9
431.35059	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	448.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.7
53.02882	0.6
53.03934	0.8
53.59607	0.5
55.01860	1.2
55.05508	4.7
57.03428	15.7
59.05003	0.7
61.02914	7.2
67.05486	0.9
69.03419	14.6
71.04978	50.2
73.02903	5.7
75.04471	6.0
79.05459	2.6
81.03410	7.0
81.07017	2.9
83.04974	9.9
83.08626	0.7
85.02892	100.0
85.06532	0.8
86.03216	0.6
86.09666	1.2
87.04458	7.1
91.03947	1.3
91.05460	11.6
92.05798	0.6
92.08654	0.9
92.09173	1.6
93.07019	2.4
95.04936	3.2
95.08579	2.4
97.02879	18.4
97.32505	0.6
99.04424	2.5
101.02334	0.7
101.05994	0.9
103.05497	0.6
105.03381	0.9
105.07008	8.1
107.08561	1.2
109.02859	3.9
109.06411	0.6
109.10184	0.7
110.13497	0.6
111.04443	7.2
111.05110	0.9
115.03915	5.4
117.06995	6.4
119.08562	90.9
120.07996	0.7
121.10141	0.8
127.03896	9.2
129.05464	17.5
131.08545	1.4
133.04936	5.8
133.06453	4.3
133.10092	1.2
137.05936	2.8
143.08492	0.6
145.02820	1.2
145.04927	12.2
145.10141	2.2
147.06508	3.5
147.11647	0.7
149.05942	0.7
149.09578	0.9
157.10153	1.4
159.08083	0.8
163.05997	4.4
164.09161	1.0
165.09093	5.9
170.84180	0.6
171.08086	0.7
174.05417	0.7
175.11143	0.9
177.05417	3.2
180.08717	0.6
193.12248	0.9
211.13243	1.0
215.14244	0.8
223.13210	0.7
251.12682	0.7
273.09686	2.5
279.10559	1.5
285.13504	1.2
285.16815	1.2
286.17227	1.5
295.10104	0.8
309.11807	2.7
318.09180	0.7
321.86444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93178	0.7
55.05503	1.8
57.07067	14.0
58.06585	1.9
67.05485	1.0
70.06575	23.4
71.08601	3.5
88.07607	27.5
91.05469	4.0
92.08910	4.7
93.07021	1.3
95.08583	1.6
102.09150	20.7
104.02596	3.4
107.08578	2.0
109.10094	1.2
118.27621	0.8
119.04881	3.4
119.08561	1.5
121.10133	0.8
132.02034	13.9
135.11722	1.2
136.01556	11.4
139.63193	1.0
140.38365	0.8
147.04388	46.3
147.11739	0.9
148.05164	5.1
149.02303	1.8
163.13098	0.9
175.03867	71.5
176.04602	4.3
176.15117	0.8
180.04163	15.6
191.06996	4.8
193.04933	1.6
212.23732	1.2
219.06483	100.0
238.35291	0.8
256.26276	53.8
448.30478	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	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14978	0.5
54.10463	0.4
55.01855	0.5
57.03165	0.7
57.03427	10.8
59.04979	3.0
69.03413	32.9
73.40481	0.5
75.04461	1.1
81.03410	4.5
85.02888	22.9
87.04450	21.5
91.05461	49.9
92.08860	2.4
97.02259	1.0
97.02867	20.6
106.99432	0.5
109.02853	1.1
115.03907	18.3
119.04916	92.3
127.03892	1.2
133.04944	14.7
137.05951	54.5
145.04893	0.9
147.04385	100.0
150.05405	0.7
153.05487	0.6
165.05447	3.3
180.75526	0.5
189.47078	0.5
197.00500	0.6
221.79703	0.5
259.08020	0.8
291.08630	2.4
294.33539	0.6
309.09705	5.4
400.26724	0.5
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
53.03939	0.3
55.05519	0.2
57.03432	1.8
57.03658	0.2
59.04993	0.4
61.02910	0.3
62.06076	0.5
67.05487	0.2
69.03411	4.0
73.02879	0.2
75.69331	0.2
79.64554	0.2
81.03403	1.4
83.04977	0.3
85.02885	3.9
86.09682	0.5
87.04465	2.7
88.48075	0.2
89.03890	3.2
90.13924	0.2
91.05466	1.4
95.04969	0.3
97.02866	4.4
99.04447	0.3
101.06037	0.3
105.03329	0.3
105.05541	0.2
105.07050	0.5
107.04955	0.3
109.02906	0.2
115.03907	2.7
117.03358	17.7
119.04958	1.0
119.78831	0.2
121.02885	0.2
121.06477	0.3
127.03897	1.0
131.08571	0.2
133.03993	0.3
133.04930	2.2
133.06436	0.5
134.03644	0.9
135.04396	1.8
137.05914	0.3
140.42331	0.2
145.02832	64.9
146.03140	0.3
147.11743	0.3
149.05972	7.1
161.05971	0.4
163.03841	1.1
167.07095	0.3
177.05440	100.0
178.05795	0.4
233.08379	0.2
233.11624	0.3
233.15199	0.2
321.10004	0.3
339.10703	9.5
346.08408	0.3
388.74173	0.2
450.69293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3831
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
51.69244	3.4
54.65456	3.0
55.05504	31.6
57.07056	42.7
62.21212	3.6
67.05472	7.5
69.07051	54.0
70.81776	3.5
71.08614	18.8
81.07050	32.9
83.04968	5.3
83.08599	34.2
85.10139	7.1
91.05428	5.3
93.07036	9.6
95.08578	39.7
97.10152	21.5
97.85161	4.1
102.52142	3.9
105.06997	7.6
107.08581	16.4
107.47958	4.3
109.06508	7.3
109.10147	21.4
111.11706	7.7
119.08524	9.8
121.06512	6.7
121.10154	16.8
123.08060	21.9
123.11736	4.5
125.05972	7.3
127.07533	9.4
133.10109	8.8
135.08043	28.5
135.11636	5.8
137.09576	17.5
139.07526	35.0
147.11632	5.6
149.09593	9.4
151.07573	21.2
153.09161	8.2
159.11681	15.6
161.09639	6.4
163.07530	8.6
163.11130	4.5
165.09105	26.0
169.08597	6.0
173.13249	8.9
175.11256	4.9
177.12659	5.4
181.08533	7.4
187.11232	6.6
233.15155	4.6
360.52277	5.4
387.36172	7.6
411.36203	5.5
429.37094	47.5
447.38266	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	448.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.4
55.01858	2.7
55.05505	41.3
55.34929	1.3
56.96536	1.1
57.03424	6.7
59.04718	2.3
59.04993	47.8
60.43926	1.2
61.02905	7.3
62.06068	1.3
67.05475	1.8
69.03072	2.0
69.03417	43.0
71.04964	9.6
72.08133	1.7
73.02866	1.8
79.05460	2.4
81.03402	36.2
81.07002	4.8
83.01341	1.6
83.04967	61.8
85.02888	51.2
85.03268	1.0
86.09690	5.8
87.04430	2.8
91.05457	10.1
92.47144	1.4
93.07032	2.8
95.04938	7.4
95.08577	1.5
97.02871	100.0
98.97562	2.0
99.04437	17.7
101.05999	34.5
105.03362	5.3
105.07000	2.7
107.04940	2.8
109.02860	35.6
109.06438	1.5
111.04417	1.9
115.03887	2.2
117.03360	2.0
117.06911	1.3
119.04923	8.4
119.07024	11.6
119.08490	1.5
121.02845	7.0
121.06454	1.3
123.04453	1.9
127.03883	43.6
131.08575	1.7
133.06454	1.6
135.04378	6.6
135.08025	2.1
137.05965	2.1
139.03867	1.3
141.05408	1.8
145.02847	8.3
145.04932	43.1
145.10078	1.7
147.04417	11.6
149.06003	1.5
159.11552	2.3
163.03857	25.2
167.07037	2.1
169.04930	1.7
177.05450	13.8
187.05963	5.4
193.04893	26.7
205.07118	1.5
209.08072	2.1
219.01749	1.4
227.09088	8.7
233.15196	1.7
245.10162	32.1
251.12807	1.3
263.11090	1.8
306.81870	1.4
351.94260	1.3
355.10254	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	447.3077
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
67.05479	0.7
68.93967	0.6
70.06536	0.6
70.20076	0.6
73.04726	0.9
81.07040	0.9
91.05801	6.0
167.05482	0.9
171.70889	0.6
172.01529	0.7
361.02570	0.9
447.30688	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	447.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09137	2.4
51.07771	2.6
55.05495	14.3
57.07058	15.2
69.07064	6.1
71.08630	11.1
73.01691	2.9
77.09743	3.3
81.07026	5.0
83.04951	41.6
83.08636	3.4
83.52171	2.7
87.14320	2.7
93.06998	12.6
95.08594	5.6
110.87484	3.0
111.08033	6.1
121.06503	27.4
127.07497	12.1
135.08040	12.8
137.09621	4.4
139.07506	76.8
151.07574	3.7
163.07524	13.2
181.08577	4.2
331.39133	3.2
340.98361	4.0
447.32333	5.0
447.38245	100.0
453.00311	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	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93367	4.5
55.05508	48.9
56.96550	4.8
57.03423	30.1
61.02912	6.7
65.09772	5.9
67.05487	36.6
69.03412	96.8
69.07044	34.4
71.04965	21.3
79.05479	33.7
81.07042	98.8
83.04958	12.5
83.08592	32.8
85.02885	59.7
85.06532	100.0
86.09689	7.5
87.04452	34.6
91.05438	43.7
92.64220	6.0
93.07040	48.0
95.04941	26.3
95.08577	58.7
97.02880	58.2
97.06490	12.2
98.97559	8.0
100.07561	9.3
100.11237	87.9
105.07026	63.5
107.08575	45.6
109.06480	9.4
109.10126	14.0
111.04412	33.9
112.07607	8.2
115.03925	9.9
115.05416	6.6
116.98636	6.5
117.06995	31.1
119.08556	49.7
121.06477	9.9
121.10086	22.9
123.04443	6.1
123.08054	5.3
125.05966	6.1
128.07066	9.5
129.06958	27.6
131.08553	74.5
133.04991	7.2
133.10120	33.1
135.11665	7.9
137.09618	10.4
139.90268	5.7
140.07039	5.8
141.06981	12.0
141.11444	7.9
142.07715	10.6
143.08560	67.1
145.10115	73.9
147.11682	14.2
153.30568	6.7
154.07848	6.2
155.08537	35.0
157.10098	83.6
159.11676	44.7
161.01141	6.3
161.13249	12.3
165.09071	6.2
167.08456	7.4
168.13808	27.2
169.10071	52.9
171.11681	48.7
173.09523	12.2
173.13243	25.3
177.00626	7.8
177.12549	6.5
179.08514	7.4
181.10042	40.4
182.15381	38.2
183.11617	44.7
183.15723	10.4
185.13196	28.6
185.35895	6.8
187.14720	9.7
192.09360	9.6
193.10081	9.8
195.11684	42.5
197.13252	36.9
199.14789	23.9
207.11717	13.6
209.09476	5.9
209.13257	47.2
209.16457	24.8
210.14851	22.8
211.14871	40.0
213.12695	7.6
213.16289	23.5
215.14316	23.0
219.11627	11.1
221.13261	23.8
223.14813	27.3
225.16249	12.6
227.14236	9.0
227.17728	7.2
233.13261	6.4
235.14757	7.7
237.02751	13.9
237.16417	11.9
239.14162	7.6
239.18018	11.3
241.15623	7.6
243.13866	5.8
249.16321	6.4
251.18098	19.5
253.19458	6.6
265.19403	11.3
269.18921	9.8
279.20938	28.0
283.20572	69.3
295.20456	44.9
297.22073	60.8
313.21646	12.0
315.23187	10.9
321.22089	21.9
339.23145	31.9
381.23724	8.7
393.24091	20.8
411.25214	23.2
429.26260	79.7
447.17020	7.7
447.22153	11.9
447.27393	12.0
447.67752	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	447.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.6
56.05030	9.5
56.96565	1.0
57.03418	1.8
57.05816	0.7
58.06578	5.2
61.02890	0.9
65.03922	0.9
67.05491	1.4
69.03415	8.5
69.07052	0.8
70.02930	0.9
70.06572	1.6
71.04977	0.7
72.08137	100.0
73.02895	1.3
74.06062	55.7
74.09706	1.0
79.05473	1.3
81.07027	1.6
82.06593	1.1
83.04966	1.8
84.04487	5.5
84.05222	0.8
84.08110	0.8
85.02885	9.7
85.06536	1.2
86.06051	1.2
86.09685	23.0
87.04436	3.2
88.03970	5.2
90.66827	0.7
91.05423	1.2
92.09034	0.9
97.02864	4.4
98.97548	1.1
100.07599	1.1
101.05998	1.1
101.07081	1.0
105.07018	0.9
108.08121	3.1
109.02870	1.2
109.06523	0.8
110.06003	1.1
111.04425	0.9
112.11218	1.2
115.03917	1.1
115.07554	1.0
116.98587	1.4
119.08562	0.8
121.02813	1.5
124.07581	3.6
124.11190	1.3
126.05463	6.3
127.03893	3.7
127.04893	0.9
127.08652	1.3
129.06561	1.1
132.10164	11.8
133.08557	1.1
135.04405	1.3
135.08041	1.6
135.09102	1.4
136.03902	6.5
136.07550	1.0
141.13843	1.7
142.07765	1.0
142.08653	9.8
143.08855	1.3
143.11740	1.5
144.06532	12.4
147.08014	1.1
153.10216	1.3
154.08543	8.3
158.11792	1.0
163.03879	1.5
169.09709	7.8
169.13336	3.4
171.07576	1.9
178.05037	0.8
187.10748	8.9
187.14375	5.3
189.08656	5.4
195.01132	11.0
196.01402	10.1
197.12914	4.0
215.10271	14.9
215.13850	15.6
217.08243	6.8
218.07480	1.1
233.14903	26.4
243.13358	1.8
284.16068	4.2
288.26968	0.8
315.14136	1.1
316.14865	7.1
317.58780	0.8
330.16556	9.8
335.09329	3.0
348.17828	1.2
411.22559	3.0
429.23450	13.3
447.18234	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01854	1.8
55.05493	8.5
58.41297	1.5
67.05492	31.2
69.03408	6.7
69.07040	6.8
70.30911	1.5
71.04981	1.7
73.77910	1.4
74.94247	1.3
79.05476	27.8
81.03382	7.8
81.07034	30.3
83.04940	3.5
83.08609	2.6
85.02885	2.4
91.05449	37.7
93.07021	50.2
95.04951	18.6
95.08591	26.2
103.05421	1.9
105.03380	5.8
105.07011	40.4
107.04947	6.9
107.08589	25.3
109.02872	6.6
109.06477	11.7
109.10139	15.5
115.05444	6.0
115.68811	1.4
117.07005	17.0
119.08549	23.9
121.02783	1.5
121.06467	14.5
121.10133	7.6
123.04407	7.1
123.08071	6.4
125.05949	10.9
127.03851	2.6
128.06206	10.4
129.06978	25.1
131.08554	34.7
133.06506	2.5
133.10109	17.4
135.08011	6.8
135.11650	7.3
137.05922	3.8
139.03859	2.7
141.06970	16.7
142.07744	10.1
143.08546	37.1
145.06473	9.2
145.10121	30.5
147.08018	7.4
147.11659	10.1
149.06007	2.5
151.07600	2.1
153.05409	3.0
153.06990	3.3
154.07771	13.3
155.08521	30.8
156.09300	7.0
157.06502	3.5
157.10117	28.2
159.08058	9.6
159.11664	19.5
161.02945	1.7
161.05945	2.0
161.09642	3.7
163.07507	2.0
163.11139	1.9
165.06976	18.0
166.07724	8.4
167.08501	16.9
168.09331	10.8
169.06352	2.7
169.10089	38.0
171.08037	9.7
171.11673	17.1
173.05943	2.6
173.09561	3.0
173.13281	11.2
175.07489	3.9
178.07736	9.6
179.08531	21.4
180.09300	7.3
181.10100	33.0
182.07233	2.8
182.10828	3.7
183.08034	8.1
183.11658	20.6
185.09624	6.6
185.13173	11.8
187.07474	3.3
187.11111	2.0
187.14781	3.8
189.09067	5.6
190.07784	2.3
191.08545	2.7
192.09303	3.0
193.10118	17.3
194.10716	2.9
195.07993	5.8
195.11713	17.8
197.09604	25.9
197.13173	11.0
199.07436	1.9
199.11156	11.5
199.14774	2.4
201.08960	2.9
201.12657	2.5
201.16307	2.3
203.08492	3.2
203.14307	1.9
204.09259	1.9
205.10094	10.6
206.10855	3.5
207.08055	2.9
207.11647	15.2
209.09554	8.9
209.13239	10.4
211.11186	11.7
211.14766	8.2
213.09048	7.3
213.12634	3.5
215.10645	6.5
217.10059	7.1
218.10818	2.4
219.08264	2.2
219.11659	13.7
220.12527	1.9
221.09581	8.3
221.13223	11.8
223.11186	3.4
223.14798	3.6
225.04285	1.9
225.09100	19.3
225.12651	1.9
225.16269	1.8
227.10616	9.2
227.14276	1.8
229.12218	3.1
229.15819	2.6
230.10957	2.2
231.11659	8.3
232.12411	5.7
233.13158	9.7
235.11133	2.2
235.14795	10.0
237.16267	7.1
239.10564	7.3
239.14281	2.0
241.12154	2.6
243.10048	11.5
245.13042	3.3
245.15291	2.6
246.16171	1.8
247.14723	6.3
248.11795	1.6
249.16200	2.3
251.10735	3.5
257.13361	2.0
259.14767	2.2
261.16309	2.7
263.13965	2.5
263.16321	2.7
265.12244	2.4
271.16925	6.2
272.15598	2.1
273.16403	3.7
273.64224	1.8
275.14221	6.4
277.12097	3.4
279.13751	2.5
279.17169	2.1
281.15378	3.8
285.18707	2.0
287.17841	7.8
291.13876	3.6
291.17416	6.9
293.15176	2.1
305.18747	16.7
307.16800	3.2
307.20404	3.3
309.18430	13.4
315.17316	7.5
323.19974	19.7
333.18436	40.8
341.21066	2.7
351.19473	88.8
369.20560	100.0
387.21573	46.7
411.21448	2.5
429.22635	14.3
447.23758	2.5
459.48883	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11981	2.5
55.05500	17.2
67.05496	41.0
69.07047	14.9
73.00108	3.4
79.05481	41.3
81.03405	4.7
81.07031	53.0
83.04974	5.1
83.08610	5.1
85.02907	3.4
91.05428	38.5
93.07016	34.5
95.04933	17.8
95.08586	93.4
97.06489	7.7
103.05443	4.5
105.03355	18.2
105.07027	58.2
107.04963	8.4
107.08572	28.0
109.06500	21.3
109.10166	7.9
111.04325	4.5
115.05416	3.9
117.06984	21.6
119.08582	35.2
121.06492	14.9
121.10123	14.8
123.04383	8.4
123.08041	50.1
125.05968	90.5
128.06178	5.4
129.07002	23.8
131.08546	43.6
133.10114	6.9
135.11678	3.6
141.06987	7.8
142.07788	6.4
143.08571	35.0
144.09354	3.3
145.06555	5.2
145.10088	40.8
147.08084	5.1
147.11694	7.3
149.05962	7.3
153.05484	32.3
153.06596	4.4
154.07736	4.5
155.07144	8.6
155.08527	38.1
156.09308	4.1
157.10094	34.7
159.08052	5.7
159.10410	4.0
159.11682	22.2
165.05452	27.0
165.06862	6.8
167.08620	11.6
168.09383	7.0
169.10080	29.1
171.08064	6.4
171.11668	21.0
173.09563	4.8
173.13196	7.0
179.08583	4.4
181.10037	26.6
182.10919	4.2
183.08041	5.1
183.11612	28.9
185.09682	4.1
185.13213	41.0
187.14767	62.0
192.09250	3.5
193.10048	6.3
195.11713	18.6
197.09656	6.3
197.13293	18.6
199.11247	7.2
203.14253	5.7
205.10147	5.5
207.11629	8.4
209.09549	8.0
209.13161	14.2
211.11137	7.0
211.14784	6.2
217.10181	4.5
219.11833	6.9
221.13232	7.8
225.12625	4.3
225.16328	5.7
232.12344	4.3
235.14784	4.4
247.14749	5.8
249.12701	4.9
251.10600	5.5
263.17877	4.9
267.11298	4.9
273.16312	4.8
277.19293	3.6
287.18054	4.4
289.19403	4.3
291.17346	8.1
305.19012	18.0
307.20480	4.5
309.18460	16.6
323.20007	18.6
333.18481	35.0
339.19543	6.3
339.89435	3.7
351.19476	100.0
363.47479	3.8
369.20496	52.0
387.21524	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	447.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
54.46525	1.7
55.01854	2.2
55.05496	7.7
61.36639	1.5
65.03917	2.6
65.55560	1.6
67.05488	23.3
69.03415	3.5
69.07050	2.5
79.05478	26.7
81.03387	3.5
81.07032	26.9
83.04990	2.6
85.06541	2.1
91.05458	37.4
92.09216	2.0
93.07015	66.3
93.07569	3.4
95.04957	16.6
95.08582	24.0
97.06520	4.3
97.36015	2.0
105.03360	7.5
105.04519	1.9
105.06994	30.1
107.04925	11.3
107.08556	23.0
109.02829	2.4
109.06470	13.7
109.10149	10.2
111.04417	2.0
117.07001	16.6
119.08558	21.8
121.06469	7.7
121.10136	7.7
123.04366	2.5
125.05940	6.6
128.06198	10.6
129.06969	26.0
131.08522	25.1
133.06483	3.4
133.10069	12.0
134.99759	1.8
135.04413	2.8
135.08022	3.6
135.11693	3.2
137.05928	4.3
141.06969	17.3
142.07753	9.1
143.08542	29.9
145.06483	3.3
145.10112	26.6
147.08049	7.7
147.11674	6.9
149.02312	8.2
153.05611	4.5
153.06982	10.2
154.07773	11.0
155.08513	21.8
157.06499	7.0
157.10130	25.6
159.08038	13.5
159.11671	11.3
161.09608	2.6
163.07524	2.1
165.06972	14.6
166.07796	7.8
167.08435	14.0
168.09325	8.7
169.06371	2.2
169.10078	34.0
171.08003	2.7
171.11682	12.3
173.09537	4.6
173.13242	3.0
178.07756	7.3
179.08470	17.7
180.09306	4.4
181.06403	3.9
181.10074	24.1
182.07242	2.4
183.08072	2.3
183.11664	18.6
185.09610	9.3
185.13235	10.5
187.07495	6.8
187.11240	2.3
191.08540	3.2
192.09302	2.1
193.04930	2.8
193.10168	12.9
194.10837	2.3
195.08057	3.8
195.11617	21.0
197.09593	24.6
197.13292	3.8
199.11166	8.2
201.08989	2.7
201.16408	2.7
203.14322	2.4
204.09377	3.0
205.10100	4.4
206.10866	2.9
207.08101	3.0
207.11639	11.4
209.09628	4.2
209.13248	11.8
211.11188	10.8
213.09142	2.9
213.12535	2.5
215.08769	2.3
215.10640	11.7
215.80701	2.0
217.10152	2.9
218.10817	3.3
219.11696	4.3
221.13260	8.7
223.11157	3.5
223.14848	3.6
225.09103	21.1
225.16306	2.4
227.10690	10.1
227.14235	3.5
229.12030	2.9
230.10974	2.3
231.11662	6.6
232.12383	2.5
233.13200	3.3
235.11159	2.9
235.14690	6.3
237.07549	2.9
239.10497	3.7
243.09962	13.1
245.13167	4.2
245.15404	3.8
246.14023	2.8
247.14764	7.5
249.16374	4.1
253.12192	2.9
259.14731	2.2
263.16470	11.9
273.16187	2.9
277.12296	2.6
281.19040	2.6
287.17886	3.1
288.27713	2.2
291.17404	2.6
305.18848	15.6
307.16940	7.0
307.20441	3.1
309.18384	12.8
315.17313	3.4
323.19925	29.8
325.18146	3.1
333.18317	25.2
341.21161	3.6
351.19470	81.2
369.20496	100.0
387.21567	49.3
429.22662	3.4
447.23639	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	447.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.3
53.66984	1.0
55.01857	1.6
55.05495	6.0
57.03415	1.4
65.03914	2.6
67.05495	25.5
69.03423	1.6
69.07040	2.1
79.05469	26.1
81.03385	8.2
81.07040	26.2
83.04979	2.8
83.08623	2.2
91.05460	39.3
93.07025	44.6
95.04967	12.9
95.08580	21.5
97.02924	1.9
97.06511	2.5
103.05397	1.8
105.03369	2.8
105.04517	1.4
105.07009	41.4
107.04948	7.0
107.08571	23.6
109.02900	1.7
109.06486	11.9
109.10150	11.1
111.08039	1.9
115.05437	7.6
115.35019	1.3
117.06992	20.6
119.04922	1.6
119.08556	24.3
121.06469	14.5
121.10124	5.6
123.04375	6.2
123.08031	7.3
125.05986	10.8
127.03885	1.8
128.05316	1.7
128.06180	13.4
129.06982	22.4
130.07736	2.5
131.08536	32.2
133.06499	2.2
133.10147	11.3
135.04480	1.7
135.07994	3.3
135.11664	5.5
137.05956	6.3
141.06966	18.4
142.07771	12.6
143.08537	44.5
145.06471	10.8
145.10106	30.9
147.08029	6.4
147.11644	8.0
149.05940	2.0
153.05453	7.0
153.06938	5.2
154.07733	13.4
155.08533	33.5
156.09380	3.3
157.06474	3.3
157.10110	23.6
159.08020	10.0
159.11681	12.4
161.09589	7.9
161.13239	1.7
163.07410	1.5
163.11147	2.8
165.06929	13.6
166.07755	10.0
167.08528	17.0
168.09311	7.0
169.06331	1.8
169.10098	36.4
171.08038	9.0
171.11630	12.2
173.09540	6.6
173.13196	6.9
175.07500	2.1
175.11195	2.6
178.07735	5.9
179.08513	20.7
180.09322	6.4
181.06413	2.7
181.10085	29.0
182.07179	2.3
182.10875	2.5
183.08025	9.1
183.11650	23.8
184.12427	2.3
185.09613	7.4
185.13248	11.6
187.07516	3.1
187.11195	5.6
187.14818	6.3
189.09111	2.0
190.07683	2.1
191.08475	3.1
192.09258	6.1
193.10097	16.8
194.10852	3.0
195.08022	7.8
195.11652	19.0
196.12422	1.5
197.09590	28.6
197.13232	8.7
199.07605	2.0
199.11116	9.1
199.14690	4.8
201.09128	3.3
201.12721	1.9
203.08539	3.0
204.09233	2.1
205.10095	9.4
206.10902	5.5
207.08058	2.3
207.11679	14.1
208.12386	2.3
209.09599	12.1
209.13208	8.8
211.11095	12.2
211.14806	7.5
213.09036	5.3
213.12766	5.5
215.10585	11.4
215.14268	1.9
216.09247	2.8
217.10080	6.8
219.11676	12.1
220.12434	1.7
221.09621	3.4
221.13274	10.5
222.10501	1.5
223.11143	5.3
223.14764	5.0
225.09082	27.7
225.12650	2.2
227.10652	12.3
227.14276	2.9
229.10071	1.9
229.12144	2.3
229.15802	2.3
230.10831	1.9
231.11658	6.4
232.12260	4.7
233.13246	9.4
235.11188	3.0
235.14803	10.5
237.08862	1.9
237.12715	3.1
237.16252	2.0
239.10612	10.1
241.08492	2.1
241.12148	5.8
243.10016	12.4
245.13184	8.0
245.15355	1.8
246.13959	2.0
246.16211	2.6
247.14694	9.1
247.16988	2.3
249.12659	2.4
249.16385	6.5
251.10614	5.3
251.14288	3.2
253.12195	2.1
255.13742	1.8
259.14749	1.8
261.12692	2.1
261.16339	6.5
263.16373	1.7
263.18060	2.3
265.12167	2.7
267.13724	1.6
267.17395	2.1
269.11563	2.4
271.16882	3.2
272.15338	1.9
273.16248	5.4
277.12204	2.8
277.19525	3.2
279.13913	2.3
279.17288	1.7
281.15332	6.4
281.18762	2.3
287.17880	9.1
290.12991	1.7
291.13702	2.5
291.17368	7.1
293.15265	3.4
295.20386	2.0
305.18829	17.4
307.16833	6.0
307.20456	5.7
309.15134	1.7
309.18335	13.1
315.17261	6.5
323.20035	22.0
333.18451	36.4
341.20996	6.3
351.19461	90.0
369.20508	100.0
370.20703	2.3
387.21567	45.5
404.98734	1.5
411.21570	5.7
429.22595	15.3
447.23672	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	447.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57932	0.2
59.04979	0.2
62.24554	0.3
64.31529	0.2
70.21449	0.2
77.73669	0.3
86.09673	0.3
90.05387	0.3
191.10410	0.2
246.70700	0.3
248.13275	0.3
315.10406	8.8
317.08423	1.6
370.55768	0.3
447.14630	100.0
448.14941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.2
53.03925	0.7
54.42797	0.5
55.01864	1.1
55.05501	1.3
56.80641	0.5
57.03428	12.7
59.04982	3.1
64.33411	0.7
67.05490	0.8
67.65253	0.5
69.03414	32.8
71.04961	2.5
72.08124	3.0
73.02895	1.4
74.06081	0.7
75.04456	2.3
81.03387	2.9
81.07032	0.7
83.04976	1.3
85.02888	32.4
86.09689	1.5
87.04453	19.0
91.05460	1.4
95.08617	0.7
97.02869	26.3
97.06519	0.7
99.04445	1.3
103.03871	0.9
105.07014	0.9
106.06485	0.7
109.02869	1.4
111.04430	1.3
115.03903	23.3
119.08500	1.0
121.02840	0.7
121.06534	0.7
127.03893	4.1
133.04941	19.6
135.04402	2.6
135.08098	0.8
136.03922	21.4
145.04939	4.2
147.04449	2.1
150.05536	0.8
150.07622	3.5
159.08104	0.8
161.09596	0.9
163.03857	0.7
163.06007	1.1
178.04970	4.4
194.49127	0.6
195.01044	2.6
196.01364	1.3
237.11102	0.7
249.11237	4.1
250.11554	1.4
259.07980	1.3
267.11179	1.1
285.12292	2.7
285.16861	0.9
298.09045	2.7
303.05035	2.3
315.14075	3.8
334.06061	1.2
335.09518	3.0
377.01746	3.4
395.02963	1.0
447.18243	100.0
448.18649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65017	0.5
52.67737	0.7
53.00304	0.6
55.05505	0.7
57.03430	15.1
59.04987	5.2
60.04493	0.9
61.02922	0.8
62.54471	0.6
69.03415	50.5
69.07068	0.9
72.08134	1.2
73.02910	1.1
73.06539	76.5
74.06054	2.8
75.04473	4.6
79.05489	3.8
81.03406	1.4
81.07036	1.4
85.02891	34.3
86.09707	1.2
87.03931	1.5
87.04452	32.9
87.04986	1.2
89.06012	27.4
93.56852	0.7
96.08130	6.8
97.02871	32.2
97.03492	1.1
99.04437	1.4
101.02385	0.8
107.07054	0.8
115.03913	27.9
115.04722	1.0
116.07100	0.9
117.09131	6.3
121.06506	0.9
124.07569	5.4
127.03885	3.0
133.04944	23.5
134.06075	0.7
135.04387	1.3
135.10144	100.0
145.04922	1.1
150.07605	1.0
151.43495	0.7
152.07047	51.2
152.10698	0.8
163.03911	4.4
167.42647	0.7
284.05609	1.0
332.35391	0.7
446.10837	4.3
463.70111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01868	7.5
55.05520	0.7
56.05032	0.6
57.03430	31.2
59.05002	5.0
61.02911	4.7
63.16808	0.6
64.44171	0.6
66.75746	0.7
69.03416	54.2
71.01334	32.4
71.04974	18.1
73.02899	9.0
75.04446	1.5
81.03405	9.8
83.04960	3.5
85.02889	58.0
87.04451	38.8
91.03918	1.3
92.09204	1.6
95.04934	1.5
97.02871	42.6
99.04434	70.1
101.06063	0.7
101.61214	0.8
104.05288	1.0
109.02863	3.6
111.04427	1.0
115.03909	34.5
115.04721	1.3
117.05471	100.0
121.06488	0.9
123.04417	4.6
126.55302	0.8
127.03878	7.4
133.04947	31.3
136.06183	0.8
137.05957	1.5
137.94730	0.7
139.03868	0.8
141.05490	5.0
145.03879	0.9
145.04912	7.4
150.07721	2.6
152.05672	4.2
159.06473	1.2
160.66599	0.6
163.05978	3.0
183.06438	0.7
195.06590	1.3
213.07620	6.6
231.08583	12.4
238.06104	1.3
241.06880	0.8
243.08670	3.4
249.09653	9.7
259.08084	1.6
261.09631	5.1
279.10556	1.4
285.02658	0.9
295.10199	3.7
451.58267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28326	0.2
52.63715	0.2
54.81685	0.3
55.05499	0.7
57.03428	1.3
57.07062	0.2
57.68046	0.1
59.04992	0.2
61.02921	0.3
63.39321	0.2
63.45033	0.2
65.03902	0.3
65.07673	0.2
67.05479	0.3
69.03413	4.2
69.07024	0.3
77.23270	0.2
79.05457	0.3
81.03381	0.9
81.11376	0.2
83.04954	1.2
85.02404	0.3
85.02883	4.9
85.06542	0.3
86.09694	0.3
87.04462	1.9
89.03904	0.9
91.05457	9.7
95.04956	0.4
97.02863	2.7
99.04464	0.3
102.57687	0.2
105.03365	0.2
106.04156	0.3
106.06537	11.5
107.04942	1.1
107.08560	0.3
109.02857	0.8
109.06501	4.9
109.10144	0.4
115.03887	1.5
116.04965	1.3
117.03361	0.5
119.06033	1.7
120.04438	0.8
124.05204	0.3
127.03889	1.0
133.04941	1.0
134.05989	100.0
135.04395	1.1
135.06360	0.3
138.05466	0.3
145.04932	0.4
148.03912	2.7
152.07033	10.8
152.10681	0.3
154.32195	0.2
163.03909	1.0
166.04970	7.6
166.06302	0.3
184.06021	4.0
287.07553	0.2
314.12180	0.4
335.20065	0.2
428.15228	0.3
446.16388	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	446.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
57.03411	0.1
59.04995	0.1
59.38710	0.1
62.81525	0.1
65.03922	0.2
67.05499	0.8
68.99763	0.1
69.03413	1.1
70.06562	0.2
73.02872	0.1
79.05485	0.2
82.06578	0.1
83.04966	2.1
84.08106	0.1
85.02873	0.7
86.09685	0.2
87.04441	0.2
89.03884	0.2
89.06010	0.1
90.74042	0.1
92.08710	0.3
92.09298	0.3
93.03392	0.8
95.04955	1.0
97.02863	0.7
103.05405	0.2
106.06487	0.1
111.04431	3.0
115.03983	0.1
117.03339	0.2
119.04916	0.2
121.01080	1.0
121.01831	0.1
121.02863	0.8
121.43571	0.1
123.04439	0.1
124.07520	0.1
127.03886	0.2
129.05446	0.8
131.04933	0.1
134.06038	0.1
135.04425	1.0
139.03882	5.0
142.08661	1.0
145.02821	0.2
145.04898	0.1
147.04367	1.0
147.99710	0.1
149.00540	3.2
149.02391	0.5
152.07076	0.4
153.05400	0.2
155.06970	0.2
157.04915	0.5
162.03046	0.1
163.03877	6.7
167.01620	1.7
175.03796	0.1
177.05438	0.9
179.03358	0.1
181.04938	2.5
182.08109	0.9
191.01643	0.1
193.05023	0.2
193.07066	0.2
195.01088	100.0
196.01379	0.7
198.95642	0.1
209.02603	0.2
217.04895	0.2
217.07031	5.2
221.04518	0.1
237.02145	2.1
255.03181	3.4
294.12036	0.1
411.07217	0.6
429.08481	3.1
445.20905	0.2
446.20520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.6
54.81488	1.0
55.05505	27.3
57.03425	1.7
57.07068	22.6
67.05489	7.5
69.07053	47.3
71.08614	9.8
76.56071	1.1
79.05483	5.3
81.07035	14.1
83.01308	2.0
83.04987	1.0
83.08604	23.1
85.10157	1.1
91.05447	4.0
91.78948	1.0
93.07029	11.5
95.08574	9.6
97.06606	1.0
97.10133	11.9
105.07008	5.9
107.08589	11.8
109.06561	1.2
109.10129	9.6
111.04488	1.0
111.08058	1.2
111.11725	2.1
119.08563	7.1
121.10135	5.1
122.07297	1.9
123.08018	1.7
123.11679	6.1
125.13204	1.4
131.08546	1.6
133.10098	4.2
135.08018	8.6
135.11673	4.7
135.62839	1.1
137.05951	3.9
137.09589	14.6
139.07541	2.5
145.10104	1.5
147.08006	1.0
147.11629	1.9
149.09586	23.1
149.13225	1.2
151.07521	1.3
153.05457	2.3
156.09235	1.1
157.10078	1.4
158.21024	1.0
159.11636	3.8
160.08784	4.4
161.09592	1.8
163.07574	1.7
163.11118	9.3
163.14815	1.3
165.04106	2.1
165.05444	40.8
165.09074	100.0
170.10864	1.3
171.11688	1.5
173.09583	7.1
173.51602	1.1
174.10439	2.4
175.07538	2.1
175.11137	7.0
176.08307	6.2
177.09090	16.6
179.10649	1.7
185.13242	3.8
186.10394	1.2
187.11150	6.0
188.08334	1.3
188.11775	1.2
189.09059	6.1
189.12741	4.3
190.09819	1.7
191.10626	18.0
199.11066	1.5
201.09026	3.8
201.12697	1.7
202.09892	4.0
203.10649	9.2
203.14319	6.2
205.12236	15.3
213.12708	3.7
216.11423	2.2
217.12199	1.7
219.10123	33.7
219.13681	1.9
221.11638	15.4
229.12347	2.3
231.13805	7.8
237.11151	28.7
240.77480	1.1
245.15251	1.6
287.16394	9.8
289.21472	1.6
345.27814	1.8
359.22034	6.8
427.35617	18.4
434.46167	1.1
451.17004	1.2
461.46390	1.0
465.68924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94125	9.5
55.05502	70.8
57.07059	71.6
64.33546	10.4
67.05499	10.1
69.07056	100.0
71.08616	45.2
79.05442	21.0
81.07028	77.9
83.08599	61.2
83.32040	11.3
92.08991	47.6
93.07004	45.0
95.08593	50.1
95.13696	10.2
97.10132	20.5
99.30974	11.5
107.08608	58.9
109.06495	53.3
109.10163	46.0
119.08603	13.8
121.10152	12.5
137.05928	96.3
139.07555	78.4
151.07541	24.0
162.00493	11.8
165.09126	16.5
179.07007	55.6
249.40501	12.4
385.34799	11.2
396.09888	11.2
399.36215	13.1
410.13907	13.4
411.42117	12.9
417.36981	22.9
445.36749	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79197	1.3
55.01836	1.9
55.05501	2.5
57.07074	14.4
67.05483	2.4
69.01342	1.7
69.07045	8.0
71.08606	7.9
79.05451	7.7
81.07031	12.9
83.08585	2.7
85.10177	2.4
91.05455	3.1
91.97752	1.5
93.07003	7.5
95.04939	1.8
95.08579	5.9
105.06995	11.0
106.69479	1.6
107.08582	8.6
109.06494	22.9
123.08047	8.2
125.05949	30.7
133.06456	25.2
135.08006	4.0
137.05954	100.0
139.07614	2.2
151.07504	40.9
161.05952	19.6
165.09140	6.7
171.11537	1.6
179.05403	2.7
179.06989	82.8
190.96129	1.8
215.31747	1.7
399.36200	3.7
417.37332	8.0
427.49493	1.6
436.54657	1.5
445.36630	86.5
465.80774	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.01867	1.8
55.05500	13.0
57.03428	3.7
57.07059	2.2
57.85250	0.7
60.17477	0.8
64.81915	0.7
67.05494	11.3
69.07052	25.1
79.05476	12.4
81.07037	26.3
83.04955	1.0
83.08604	9.2
85.06526	1.7
91.05464	10.9
92.09298	1.0
93.07018	39.3
95.04943	1.6
95.08580	46.4
96.08904	1.1
97.06506	5.5
97.10145	11.1
99.24819	0.9
103.05402	0.8
105.07011	20.7
107.08575	66.3
109.06461	1.2
109.10139	29.4
111.11732	1.1
113.09620	2.0
117.07008	3.4
119.08554	29.4
121.10118	40.9
121.10978	1.9
123.08003	1.5
123.11681	8.9
125.09604	4.9
131.08496	6.8
133.10106	24.4
135.11674	33.2
137.13234	2.0
139.11130	8.6
143.08527	2.0
144.09343	1.5
145.10080	19.5
147.11664	22.1
149.09627	1.8
149.13243	11.1
153.12732	8.6
157.10109	4.5
159.11665	25.0
159.18396	1.1
161.13210	15.6
163.11217	1.6
163.14778	41.0
165.16367	1.0
171.11647	5.3
172.12444	1.0
173.13234	10.4
175.14803	7.8
177.16385	4.0
179.14288	3.4
181.15836	26.4
185.13208	4.0
186.13913	0.9
187.14763	20.9
189.16333	7.1
191.14365	1.9
191.17932	9.1
199.14751	1.9
201.16350	39.3
203.17918	34.3
211.14819	1.2
213.16429	7.2
213.91342	0.9
215.17928	6.2
219.17381	44.4
225.16338	5.0
227.17899	9.1
229.19455	6.5
237.18393	15.4
239.17839	1.8
241.19470	2.1
247.20511	5.7
253.19501	4.4
257.22614	1.1
267.21100	3.7
281.22586	1.4
283.24219	4.4
358.61536	1.1
391.33499	13.7
409.34567	100.0
410.35190	1.8
427.35641	22.3
445.36652	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
51.70796	1.5
55.05506	18.1
57.03451	2.1
57.07069	2.1
61.76772	1.7
67.05492	10.5
69.07054	28.2
69.48920	1.5
69.80663	1.7
75.75073	1.7
79.05477	10.6
81.07031	32.1
82.80294	1.8
83.08611	10.0
85.06548	2.0
91.05472	13.3
92.08688	3.3
93.07021	48.7
95.08581	51.7
97.06541	2.6
97.10149	18.8
100.62450	2.1
105.07011	25.8
107.08578	80.6
109.06503	2.7
109.10144	36.3
111.08123	2.6
111.11723	2.2
113.09612	2.4
116.99724	1.7
119.08573	39.9
121.10126	55.9
121.10976	3.0
123.11686	15.8
125.09632	2.8
126.75334	2.1
131.08571	8.7
133.10095	30.1
135.11662	40.1
137.13205	2.2
139.11162	13.0
140.03793	2.2
143.08569	3.5
145.10126	24.6
147.11681	21.5
149.09625	3.2
149.13229	9.9
151.47839	2.0
153.12706	10.7
157.10092	3.3
159.11653	32.3
161.13196	17.5
163.11064	2.2
163.14775	42.6
171.11679	3.8
173.13242	15.4
175.14799	11.3
177.16394	2.2
181.15831	30.7
185.13240	2.2
187.14789	20.4
189.16388	9.0
191.14351	4.2
191.17928	8.3
197.13306	2.3
201.16348	44.6
203.17877	36.4
213.16315	4.5
215.17978	3.8
219.17410	55.7
225.16304	3.1
227.17912	9.8
229.19429	4.2
237.18460	15.8
241.19450	2.3
247.20558	3.2
267.21017	3.0
281.22531	2.4
283.24222	2.9
326.94061	2.4
391.33603	10.8
409.34573	100.0
427.35471	28.7
445.36404	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	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.6
53.03928	0.6
55.05501	2.6
57.03418	3.3
57.07066	10.2
60.16079	0.5
62.05918	0.5
63.29406	0.5
67.05482	3.0
69.07052	26.4
76.07607	0.5
79.05477	2.7
79.81387	0.6
81.07051	7.6
83.01311	4.6
83.08604	1.1
85.06535	0.6
91.05464	3.2
91.11831	0.6
92.08605	2.6
93.07018	7.5
95.04937	0.8
95.08574	3.4
103.33769	0.5
105.06979	1.3
107.08569	8.9
109.06502	3.3
109.10141	2.4
111.04349	0.7
117.07033	0.7
119.08514	1.0
121.06499	0.9
121.10073	0.6
123.11678	21.3
127.03905	1.1
127.07523	0.7
131.08514	1.3
135.08026	5.9
135.11684	6.3
137.05937	5.0
137.09564	0.7
139.03882	0.9
145.10103	3.4
147.11606	0.7
149.09569	3.3
151.07512	1.1
153.05446	6.1
161.05997	0.6
162.06723	1.3
163.07506	4.2
163.11163	3.3
165.05431	100.0
165.09099	3.1
173.09581	2.8
176.08315	2.9
177.05489	0.9
177.09065	14.5
179.06985	2.5
191.07005	1.4
191.10611	10.4
201.08994	5.1
203.06870	0.6
203.10750	0.7
205.08427	0.7
217.08577	1.1
219.10117	70.9
221.11681	35.6
225.11195	1.3
231.10211	1.0
233.11745	1.1
237.11162	65.4
243.09950	0.6
251.12828	0.8
257.11636	0.8
275.12582	0.7
275.16110	0.7
285.14877	0.9
287.16348	28.0
303.15735	0.9
305.17389	6.7
343.22543	3.2
359.22095	24.0
371.22095	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	445.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
55.05505	47.1
57.03424	2.3
57.07074	6.0
57.15395	2.1
63.07338	1.9
67.05499	51.7
69.07056	66.0
70.65331	2.3
71.04969	5.9
79.05476	29.1
81.07039	80.3
83.04977	3.0
83.08608	42.5
85.06586	2.5
88.31078	2.4
91.05453	24.3
93.07024	77.9
93.07575	4.8
95.08591	100.0
97.06507	17.8
97.10157	23.0
99.08082	18.2
105.07024	32.6
107.08581	55.3
109.06480	3.3
109.10143	37.6
111.08076	4.4
111.11680	5.9
117.07070	3.7
119.08556	41.0
121.06432	2.8
121.10115	57.6
121.10860	3.6
123.08078	9.7
123.11696	15.9
126.67828	2.2
131.08565	12.3
133.10121	33.5
133.29572	2.2
135.08017	5.5
135.11673	39.7
137.09616	10.3
137.13245	3.6
139.11133	20.7
145.10098	17.9
147.04404	12.5
147.11678	23.6
149.09592	4.9
149.13277	12.3
151.11150	6.2
153.12634	3.4
157.10107	5.0
157.12221	3.7
159.11682	16.8
161.13220	20.2
163.11189	9.7
163.14790	10.8
173.13246	4.1
175.14783	5.1
177.12820	3.3
187.14835	5.8
189.16373	10.2
191.14314	11.2
191.17908	13.1
197.13268	2.8
201.16365	3.3
203.17946	15.4
207.17374	3.9
217.19534	13.4
219.17453	19.1
235.20563	17.3
238.57327	2.9
253.21632	15.4
373.30920	12.3
391.31973	39.4
409.33188	20.4
427.36185	26.5
445.36801	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2945
Annotation	Foetidinol
Peak:m/z	Relative Intensity
51.26257	0.4
53.00283	1.0
55.05489	0.4
57.03429	4.0
57.06812	0.6
57.07063	11.2
57.59377	0.5
62.57604	0.4
65.03934	0.4
67.05476	2.1
69.07051	25.6
79.05450	0.9
81.07048	3.6
83.01317	4.4
83.04971	0.5
83.08588	0.6
85.06523	0.9
91.05444	2.2
93.07034	3.6
95.08580	1.9
105.07032	0.7
107.08585	6.4
109.02868	0.9
109.06497	3.6
109.10165	0.9
117.06970	0.6
119.08572	0.8
121.06491	0.6
121.10152	0.6
123.11684	9.3
127.03864	1.1
127.07532	0.6
131.08525	0.9
135.08035	4.9
135.11647	6.6
137.05949	4.9
139.03888	0.7
145.10045	3.3
149.05930	2.5
149.09566	2.5
153.05441	4.3
155.08501	0.9
159.08078	0.7
161.05905	0.9
162.06741	1.6
163.07512	5.2
163.11147	3.1
165.05435	100.0
173.09554	4.4
175.07518	0.7
176.08272	2.8
177.05524	2.0
177.09067	15.2
183.01932	0.4
191.07021	1.0
191.10608	10.3
201.09088	6.2
203.07062	0.4
204.07849	2.1
217.08578	0.8
219.10124	84.8
221.11690	34.3
225.11203	0.7
235.09624	0.5
237.11162	73.0
257.11603	0.6
264.86511	0.5
269.15363	0.5
274.63721	0.5
287.16364	26.8
305.17407	6.4
341.20978	1.0
343.22748	3.3
359.22070	18.9
371.21985	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	6.3
53.69959	6.3
55.05502	11.1
57.07053	29.6
67.05483	7.5
69.07054	88.3
72.26614	6.4
79.24069	6.2
81.07033	28.8
83.03933	5.7
91.05467	7.9
93.07006	14.4
95.08588	30.4
97.10136	7.7
105.07004	12.1
107.08549	16.5
109.10162	28.7
119.08602	13.8
119.63059	7.2
121.10093	12.1
123.11699	14.1
135.11673	14.8
137.09550	23.4
137.13187	7.7
143.58612	6.2
145.10107	6.9
161.13261	6.6
165.05417	37.9
165.09061	100.0
177.09106	7.8
179.29010	6.8
191.10669	9.1
205.08548	8.4
219.10156	89.8
237.11115	57.7
276.60489	7.9
287.16260	7.9
359.22073	34.0
377.23050	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	445.2945
Annotation	Foetidinol
Peak:m/z	Relative Intensity
51.66706	4.2
55.05498	4.5
57.03424	7.2
57.07065	11.9
59.43763	4.4
59.47525	4.5
67.05482	7.8
69.07053	34.1
79.05476	6.6
81.07043	12.1
83.08600	7.0
91.05445	9.9
92.64495	5.0
93.07005	31.0
95.08582	10.5
105.06993	8.5
107.08582	34.2
109.10106	9.4
119.08542	5.0
123.11684	11.2
133.10071	5.9
135.08015	10.2
135.11641	22.5
149.06018	5.6
153.05400	5.4
163.07539	9.7
165.05435	100.0
165.09021	20.5
177.09047	23.2
191.10646	11.1
201.08986	5.4
219.10141	93.4
231.10577	5.1
237.11148	89.2
282.15280	5.4
287.16370	65.1
359.22159	28.6
406.91980	5.6
427.35452	6.0
442.98547	5.0
444.33771	10.4
445.33731	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	445.2064
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.23732	2.5
55.05497	14.6
57.03421	15.8
59.04995	3.5
61.02912	6.1
62.81468	2.7
67.05482	14.1
67.94133	2.5
69.03074	3.1
69.03414	55.9
69.07056	11.4
70.03754	4.4
70.05141	2.5
70.06558	2.8
70.07361	2.9
71.04963	3.0
72.08109	2.7
73.06532	45.2
74.06858	13.8
77.41256	2.5
79.05463	6.6
81.03385	6.2
81.07037	11.3
83.04966	5.6
85.02888	61.7
85.06548	2.7
86.03232	3.5
87.04441	21.3
91.05463	14.2
93.07027	14.7
95.04945	20.6
95.08593	12.4
97.02862	37.1
99.04446	5.3
105.07020	25.4
107.08585	9.7
109.02856	5.7
109.06513	5.9
109.10144	3.3
111.04418	14.2
111.08083	2.9
113.05945	5.7
115.03919	13.1
115.07529	12.5
116.07884	4.8
119.08543	36.2
121.02827	18.5
121.06425	19.5
121.10130	3.4
123.08073	6.2
127.03934	6.4
129.06952	4.3
131.08554	16.9
133.04956	14.6
133.06477	4.8
133.08569	21.5
133.10132	11.6
134.08983	3.4
135.08041	27.7
137.05914	3.1
142.07787	4.2
143.08563	14.3
145.04939	5.6
145.06479	4.7
145.10135	20.1
147.04375	11.1
147.07990	16.2
147.09148	10.8
147.11639	4.9
148.09456	4.0
149.05989	3.2
149.09598	3.4
155.08617	3.2
157.10127	4.1
158.07242	5.5
159.08022	14.1
159.11635	16.6
161.09608	19.0
165.09055	6.6
167.06934	3.4
168.09178	4.1
172.08809	5.8
173.09552	5.0
173.13205	5.6
175.07524	17.1
175.11089	4.3
183.11618	3.6
186.10341	2.9
187.11194	14.1
189.09039	4.6
189.12730	4.9
193.08537	3.5
193.10222	3.2
196.08734	3.5
199.11255	6.1
201.12643	11.5
203.10631	5.6
211.11102	13.0
217.12251	6.5
229.12218	3.8
247.13214	29.8
257.24744	2.6
265.14294	100.0
283.15564	3.4
444.19940	4.0
445.16156	15.8
445.20779	15.0
460.54776	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	445.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.1
57.03430	3.5
59.04995	1.8
61.02918	4.5
61.82047	1.8
65.67016	1.5
66.98521	1.5
69.03413	9.8
69.07089	1.6
71.04989	3.3
73.02901	1.8
81.03407	2.3
84.04472	3.4
85.02893	12.7
92.08970	9.0
96.85217	1.7
97.02877	7.0
98.97604	2.3
100.05200	2.4
102.05510	1.9
117.02043	2.0
130.04976	3.3
136.06180	35.3
137.06609	2.6
142.03859	2.8
150.07736	100.0
151.04379	8.0
151.06155	4.1
151.08127	15.3
163.03812	2.4
172.29982	1.8
231.57291	1.9
236.35562	2.0
236.73140	2.0
265.05945	4.5
279.22281	1.8
283.06949	7.4
444.17322	2.8
445.11121	63.2
445.17184	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	445.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.05507	0.2
57.03430	0.2
58.72023	0.1
63.25703	0.1
65.03925	0.4
67.79475	0.1
69.03418	1.3
71.04975	0.2
72.08124	0.5
79.04050	0.1
81.03400	3.3
83.04959	0.6
85.02892	1.9
86.09692	0.9
89.02871	0.1
90.44434	0.1
91.05459	7.4
95.04946	0.1
97.02869	0.6
99.04431	0.2
101.06009	0.4
109.02863	1.0
119.04921	26.2
127.03894	0.2
145.02855	0.2
147.04388	100.0
148.04733	0.6
163.03868	0.6
165.05420	2.6
246.75383	0.1
291.08633	2.0
306.59979	0.1
309.09622	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	445.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25459	0.4
57.03423	0.5
58.49634	0.3
61.02893	0.3
69.03418	2.5
70.06590	0.5
71.04984	0.6
72.08135	0.4
74.55584	0.3
78.88931	0.3
81.03389	5.5
81.07055	0.3
83.04962	0.5
83.34377	0.3
85.02873	3.2
86.09691	1.4
89.03886	5.5
91.05448	0.4
92.03976	0.3
92.09299	0.9
97.02879	2.2
103.05454	0.6
109.02882	0.7
117.03354	29.0
121.02850	0.5
121.06439	0.4
127.03892	0.6
131.04955	0.6
134.03609	1.5
135.04379	2.2
145.02826	72.1
145.10046	0.4
147.04387	0.8
149.05966	11.0
163.03851	2.2
177.05428	100.0
186.05464	0.5
186.46255	0.3
195.06534	0.6
227.98325	0.3
321.09515	2.9
339.10678	4.3
343.05270	0.4
441.38791	0.4
445.19873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24431	6.8
55.05503	14.9
57.07048	11.5
64.00574	6.8
65.28238	9.8
67.05496	17.7
69.07052	36.8
70.07396	8.6
79.05482	11.3
81.07034	39.9
82.07384	9.9
83.08624	12.8
92.09273	15.4
93.07027	40.2
95.08602	100.0
105.07047	10.3
107.08569	63.7
108.08887	11.9
109.10134	46.0
110.10439	14.1
114.14349	8.4
119.08557	16.1
120.08929	10.7
121.10135	54.1
123.11708	20.7
133.10132	35.9
134.10469	14.8
135.11665	59.6
136.12010	15.2
147.11679	17.3
149.13237	38.7
163.14836	12.7
167.75018	9.1
177.63242	8.6
190.73395	8.9
191.17940	38.1
192.18260	13.5
203.17932	12.2
217.19522	11.0
218.19759	11.2
224.68959	8.8
229.88434	8.7
235.55069	8.6
242.63588	8.5
269.39111	9.4
347.23169	9.2
408.37286	13.7
426.37854	18.3
444.34616	15.8
462.96634	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	444.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66455	3.5
55.05512	27.1
55.89573	3.9
57.07056	5.8
67.05483	29.9
69.07052	43.0
76.35116	3.6
79.05500	14.1
81.07043	60.7
82.07371	8.7
83.08585	15.8
91.05445	9.4
93.07023	50.4
94.07331	8.7
95.08586	100.0
96.08914	19.1
97.10123	4.9
97.82685	3.5
104.02344	3.7
104.99310	4.3
105.07013	33.8
106.07344	8.4
107.08575	82.2
108.08901	22.3
109.10145	67.0
110.10467	15.8
119.08540	44.3
119.28677	3.7
120.08880	14.9
121.10114	48.0
122.10468	14.9
123.11669	27.1
124.12034	5.9
133.10098	21.7
134.10393	7.1
135.11653	21.4
136.11946	8.3
139.11118	5.7
143.13597	4.5
145.10121	7.5
147.11664	29.0
148.11995	16.5
149.13219	21.4
159.11610	7.1
161.13176	15.8
162.13495	5.5
162.24570	3.6
163.14763	23.1
164.15147	14.1
165.05400	4.9
173.13258	6.1
174.13593	4.9
175.14778	15.0
176.15045	5.7
177.05328	6.4
177.16304	6.0
178.16652	5.0
187.14865	6.2
188.15109	5.8
189.16356	8.6
191.17896	26.3
192.18234	15.1
203.18028	8.5
204.18251	15.9
207.17410	4.9
217.15666	4.2
217.19482	16.0
218.19821	9.4
219.10144	7.3
236.20842	8.5
237.11211	4.8
256.21259	4.4
288.41684	4.2
296.39700	4.2
414.37909	5.3
421.02850	4.4
426.33466	11.1
426.38318	19.9
444.34970	32.9
460.71326	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	444.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24431	6.8
55.05503	14.9
57.07048	11.5
64.00574	6.8
65.28238	9.8
67.05496	17.7
69.07052	36.8
70.07396	8.6
79.05482	11.3
81.07034	39.9
82.07384	9.9
83.08624	12.8
92.09273	15.4
93.07027	40.2
95.08602	100.0
105.07047	10.3
107.08569	63.7
108.08887	11.9
109.10134	46.0
110.10439	14.1
114.14349	8.4
119.08557	16.1
120.08929	10.7
121.10135	54.1
123.11708	20.7
133.10132	35.9
134.10469	14.8
135.11665	59.6
136.12010	15.2
147.11679	17.3
149.13237	38.7
163.14836	12.7
167.75018	9.1
177.63242	8.6
190.73395	8.9
191.17940	38.1
192.18260	13.5
203.17932	12.2
217.19522	11.0
218.19759	11.2
224.68959	8.8
229.88434	8.7
235.55069	8.6
242.63588	8.5
269.39111	9.4
347.23169	9.2
408.37286	13.7
426.37854	18.3
444.34616	15.8
462.96634	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	444.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
57.07064	1.6
67.05480	3.3
69.07050	7.4
72.29340	0.3
73.06538	1.7
74.28120	0.3
79.05465	1.8
81.07034	2.7
82.07382	0.4
83.04970	0.6
83.08591	0.5
85.06520	0.5
86.09688	100.0
91.05434	0.6
92.08802	1.7
93.07028	2.5
95.04903	0.4
95.08583	3.5
96.08911	0.4
97.06495	0.7
97.49360	0.3
105.07023	1.6
107.08570	2.0
108.08956	0.4
109.10141	2.2
112.07587	1.4
119.08552	2.0
121.10123	2.5
123.08051	0.4
123.11670	0.4
131.08539	1.2
133.10106	1.5
135.11685	0.7
145.10100	1.5
147.11647	0.6
149.13307	0.3
159.11702	0.6
161.13176	0.4
168.13763	0.4
173.13124	0.4
186.14851	59.8
187.14810	0.6
189.16382	0.5
199.65421	0.3
214.14349	9.8
275.01404	0.3
314.19553	6.3
327.22546	0.4
399.28433	17.0
426.34821	0.4
427.27844	3.2
443.34982	0.5
444.35168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05504	17.7
55.09349	1.0
55.54081	0.7
56.04071	0.8
57.03421	2.1
57.07058	4.8
59.04986	1.1
67.05493	67.7
69.07052	25.5
70.06561	4.6
71.04980	2.2
74.03170	0.8
79.05470	20.8
81.07040	65.1
81.44436	1.0
82.07383	1.2
83.04935	1.9
83.08191	0.8
83.08611	9.3
84.08958	0.9
85.06532	4.4
86.15262	0.9
91.05013	1.0
91.05470	12.9
92.09373	1.0
93.06480	1.7
93.07021	30.8
94.07390	2.8
95.08585	100.0
95.23646	0.9
97.06506	7.6
97.10126	5.3
99.08071	2.0
103.84882	1.0
105.07017	12.9
107.08572	25.0
108.08929	1.0
109.06477	4.7
109.10140	31.0
111.08080	2.2
113.09621	10.1
117.06978	4.1
119.08555	17.4
121.06435	1.7
121.10124	22.1
122.10506	1.2
123.08063	2.3
123.11678	10.1
125.09600	2.1
131.08574	8.0
133.10089	10.9
134.10417	2.1
135.07988	1.7
135.11652	13.3
136.11972	1.1
137.09578	1.6
137.13208	4.3
139.11131	2.2
145.10104	8.6
147.11659	9.6
149.09602	1.9
149.13258	3.9
149.85611	0.9
151.11168	3.6
157.10077	2.2
159.11646	5.9
161.13193	7.5
162.13507	1.6
163.14793	6.7
165.12733	1.8
171.11639	1.4
173.11806	1.1
173.13202	4.4
175.14769	4.4
176.15182	1.1
177.12697	1.2
177.16391	1.1
179.14291	1.8
187.14786	2.2
192.18167	1.1
201.16446	1.2
203.14331	1.8
203.17857	1.3
204.14651	1.1
204.18234	1.6
226.75015	0.9
232.33018	0.9
242.19820	1.0
243.17511	1.2
243.21017	5.9
255.20978	1.2
256.21335	1.2
257.22061	1.2
261.22000	9.7
279.23145	27.8
297.24197	3.8
338.34283	1.3
370.69980	1.0
373.30597	1.2
382.36789	4.9
391.31940	2.2
403.14508	1.3
408.33267	5.8
409.32892	3.7
426.34567	6.7
443.34787	1.5
444.35220	8.4
444.40976	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	444.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66455	3.5
55.05512	27.1
55.89573	3.9
57.07056	5.8
67.05483	29.9
69.07052	43.0
76.35116	3.6
79.05500	14.1
81.07043	60.7
82.07371	8.7
83.08585	15.8
91.05445	9.4
93.07023	50.4
94.07331	8.7
95.08586	100.0
96.08914	19.1
97.10123	4.9
97.82685	3.5
104.02344	3.7
104.99310	4.3
105.07013	33.8
106.07344	8.4
107.08575	82.2
108.08901	22.3
109.10145	67.0
110.10467	15.8
119.08540	44.3
119.28677	3.7
120.08880	14.9
121.10114	48.0
122.10468	14.9
123.11669	27.1
124.12034	5.9
133.10098	21.7
134.10393	7.1
135.11653	21.4
136.11946	8.3
139.11118	5.7
143.13597	4.5
145.10121	7.5
147.11664	29.0
148.11995	16.5
149.13219	21.4
159.11610	7.1
161.13176	15.8
162.13495	5.5
162.24570	3.6
163.14763	23.1
164.15147	14.1
165.05400	4.9
173.13258	6.1
174.13593	4.9
175.14778	15.0
176.15045	5.7
177.05328	6.4
177.16304	6.0
178.16652	5.0
187.14865	6.2
188.15109	5.8
189.16356	8.6
191.17896	26.3
192.18234	15.1
203.18028	8.5
204.18251	15.9
207.17410	4.9
217.15666	4.2
217.19482	16.0
218.19821	9.4
219.10144	7.3
236.20842	8.5
237.11211	4.8
256.21259	4.4
288.41684	4.2
296.39700	4.2
414.37909	5.3
421.02850	4.4
426.33466	11.1
426.38318	19.9
444.34970	32.9
460.71326	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	444.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.9
53.03936	1.5
54.81543	0.7
55.05498	3.5
57.03425	25.6
57.07063	12.3
59.04988	78.6
61.02913	6.4
62.89747	0.7
63.90592	0.7
69.03413	69.4
69.42860	0.7
69.82153	0.7
70.06560	1.0
71.04964	1.3
73.02895	4.4
74.42467	0.6
75.04447	1.2
81.03391	6.9
83.04955	5.9
85.02886	100.0
86.09676	4.3
87.04446	41.1
91.03928	1.1
97.02865	58.5
99.04426	3.3
101.02325	0.8
109.02843	4.4
115.03902	42.9
115.11180	14.2
117.54973	0.7
119.04911	0.9
121.06486	1.1
127.03893	15.8
133.04938	31.8
133.12212	24.3
139.03860	0.8
145.04944	20.5
147.04391	4.3
151.07523	1.1
163.05960	4.7
165.71036	0.7
177.05518	1.3
245.10147	4.1
259.08298	2.3
265.16336	1.3
277.09302	0.9
295.10135	1.7
333.58768	0.8
335.80893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46305	0.6
53.00302	0.9
53.03932	0.7
55.05504	77.1
57.03426	15.9
57.07067	3.2
59.04987	4.7
61.02919	1.5
67.05479	1.3
69.03415	42.1
69.07057	13.6
73.02896	1.2
73.06519	0.9
75.04464	1.1
76.82550	0.7
81.03415	3.2
83.04968	3.3
85.02892	37.6
85.06522	1.5
87.04450	23.9
92.09143	4.4
95.08571	0.9
97.02866	33.4
97.10148	100.0
98.03230	0.9
99.04446	1.1
109.02869	4.0
112.34748	0.8
113.09629	4.4
114.09953	1.6
114.37403	0.8
115.03908	19.4
115.11192	16.0
122.76852	1.0
127.03883	3.5
131.10666	1.6
133.04944	16.2
133.12216	79.8
137.82690	0.8
144.71049	0.8
145.04990	2.9
147.04391	1.2
150.07587	1.3
179.01578	1.7
183.08308	0.8
188.99840	0.8
207.01062	1.4
209.02699	0.9
229.07182	0.9
235.00542	9.0
253.01576	0.9
265.16385	1.1
295.17416	1.0
320.30359	1.0
360.43375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05011	0.5
52.70967	0.4
53.03933	0.6
55.05504	67.5
57.03428	14.0
57.07059	1.3
59.04995	4.6
60.04504	1.0
61.02895	1.2
63.99694	0.5
67.05479	0.9
69.03414	36.3
69.07054	14.2
69.28658	0.6
70.94726	0.5
71.04963	0.7
73.02891	1.0
75.04456	1.1
79.05467	0.6
81.03388	2.3
81.07045	0.6
83.04948	2.4
85.02887	30.5
85.06506	0.7
86.09658	0.6
87.04452	21.1
95.08572	0.9
97.01859	0.6
97.02869	24.8
97.10145	100.0
99.04437	1.1
107.04888	0.6
109.02880	2.5
113.09648	1.3
115.03905	20.5
115.11187	13.1
127.03870	2.7
131.10616	0.8
132.10999	0.8
133.04935	15.0
133.12218	73.9
145.04913	2.4
150.07651	0.9
159.03110	0.5
179.01570	1.3
207.01144	1.4
209.02805	0.6
211.00632	0.6
235.00462	5.3
236.00780	0.7
249.14317	0.6
265.16299	0.9
295.17465	0.8
301.32013	0.6
357.71420	0.7
384.71915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39170	1.3
55.05502	51.3
55.05916	1.5
56.51989	1.3
57.03425	24.2
57.07067	11.5
59.04987	20.4
61.02912	15.1
61.05617	1.3
64.61733	1.5
69.03408	57.5
69.07045	2.6
70.06586	2.3
72.08127	2.5
73.02907	2.7
73.06535	100.0
75.04451	2.3
81.03396	7.4
81.07015	2.2
83.04968	12.5
85.02415	2.7
85.02885	48.5
85.06509	3.5
86.09676	1.6
87.04447	36.8
89.00637	1.4
95.04951	1.9
95.45473	1.3
97.02867	36.0
97.06504	1.8
97.10136	1.9
99.04391	1.6
101.05992	92.9
103.05443	1.7
109.02828	2.9
113.09636	18.4
114.09955	7.4
115.03887	21.0
115.07541	48.5
119.07272	3.4
125.09615	2.1
127.03865	6.0
129.05482	13.6
131.04886	2.3
131.10663	2.0
133.04939	24.2
133.08571	88.7
145.04956	2.6
149.06021	1.8
229.10596	2.0
235.00528	2.1
247.11604	3.6
271.13498	2.1
399.32773	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	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.9
53.45714	1.7
55.01849	8.5
55.05503	18.8
56.29195	1.8
57.03433	17.3
57.03648	1.7
57.07066	75.3
57.46183	1.6
59.04980	14.4
61.02907	10.7
67.05485	3.0
67.28010	1.8
69.03068	3.3
69.03416	62.4
70.03729	2.3
70.06564	8.9
71.04955	7.9
72.08143	2.3
73.02871	3.1
73.06554	2.3
74.06066	2.0
75.04457	1.7
77.99106	2.1
81.03403	33.4
81.07031	3.4
83.04952	13.5
84.05297	2.6
85.02890	100.0
85.06528	66.5
86.03207	1.9
86.09697	14.0
87.04438	4.5
91.05441	2.4
91.73612	2.1
95.04928	1.8
95.08569	3.3
97.02872	69.5
97.10141	3.3
98.03198	3.1
98.97543	4.3
99.04414	14.6
101.02343	4.2
101.05962	7.5
103.07586	15.0
107.08567	2.1
108.04475	2.2
109.02868	34.3
113.09621	3.4
115.03915	3.1
119.08570	2.2
120.65950	2.4
122.03131	2.1
127.03897	62.0
133.04915	3.1
145.04944	26.0
147.04396	3.3
147.07651	2.0
150.05447	2.0
162.96527	1.9
193.04942	4.1
203.10434	2.1
210.62732	2.2
229.10635	28.1
247.11713	75.5
264.13602	1.9
307.13712	2.3
361.10922	2.1
379.11356	3.5
423.37512	2.4
444.19193	3.3
445.16064	4.0
458.87326	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	444.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01855	1.4
55.05494	0.2
57.03426	4.0
57.07057	0.2
59.04985	3.4
61.01125	0.2
61.02901	1.8
69.03413	11.5
69.07056	0.5
71.01315	0.4
71.04961	1.8
73.02890	1.0
73.06523	0.4
75.04459	1.1
79.05470	0.2
81.03406	1.8
81.31358	0.2
83.04978	0.3
85.02887	13.8
85.68953	0.2
87.04450	6.3
89.00558	0.3
89.05968	0.2
94.04054	0.3
95.04938	0.4
97.02863	6.3
97.06502	2.9
99.04410	1.1
101.05984	3.9
109.02878	1.0
111.04423	0.8
113.05971	1.2
115.03894	3.1
115.07547	4.7
119.03519	0.5
120.08046	0.4
125.05971	0.5
127.03890	1.2
129.05447	1.1
133.04951	0.5
133.08585	0.4
136.06158	100.0
137.04543	1.0
139.02097	0.3
145.04941	0.5
147.06497	2.0
150.07729	4.6
166.08580	0.2
201.05801	1.1
229.05199	0.4
247.06319	0.5
265.07397	1.1
282.11868	7.1
298.11432	0.5
372.97778	0.3
444.17212	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	443.3879
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
51.94796	0.9
53.03941	1.6
53.82997	1.2
55.05500	19.8
57.07062	6.4
59.31085	1.0
62.70273	0.9
65.03939	1.0
67.05491	23.4
69.07049	32.0
71.04974	8.0
71.08588	1.3
73.29031	1.1
79.05468	17.1
81.07034	57.7
83.04933	1.2
83.08588	11.7
91.05444	12.9
92.64564	1.3
93.07020	56.8
95.04919	1.1
95.08582	100.0
97.06503	1.4
97.10143	6.8
99.08080	5.0
105.07008	35.3
105.07638	1.4
107.08572	86.3
109.10137	78.2
111.08050	2.0
111.11719	1.8
117.06953	1.6
119.08558	68.2
121.10118	83.3
123.08000	1.2
123.11678	33.6
125.09615	1.5
127.11158	6.5
131.08553	7.1
133.10106	60.1
135.11665	76.6
137.13219	13.1
139.11169	2.1
145.10074	13.7
147.11656	45.0
149.13234	37.7
149.14336	2.3
151.11101	1.2
153.12666	1.5
159.11662	14.0
161.13214	36.4
163.14772	23.5
173.13165	8.2
174.74236	1.2
175.14790	19.7
177.12888	1.3
177.16368	8.9
179.14227	1.6
185.13011	1.2
187.14798	4.7
189.16357	17.7
191.17897	78.2
201.16367	7.8
203.17911	27.9
205.19476	4.5
207.17305	2.4
215.17879	6.1
217.19467	31.8
219.20952	1.4
221.18939	4.7
233.18956	2.1
235.20486	9.1
245.22525	1.4
257.22571	1.4
336.92203	1.3
383.32562	1.2
407.36411	6.7
425.37729	60.5
438.72784	1.3
443.33389	12.2
443.38770	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	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82162	1.6
55.05503	17.3
57.07058	6.9
67.05492	27.2
68.66225	1.6
69.07055	35.0
71.04957	2.9
79.05476	17.4
81.07043	60.1
81.84456	1.7
83.08594	12.5
86.27921	1.7
91.05465	15.2
92.68443	1.6
93.07016	48.1
95.04964	2.7
95.08590	100.0
97.10134	8.5
105.07018	35.5
107.08584	76.2
109.06534	2.6
109.10146	60.7
111.08038	7.2
111.11685	2.6
116.50734	1.7
117.06949	2.3
119.08569	52.1
121.10126	62.2
123.08088	2.6
123.11678	32.5
125.09607	2.5
127.11158	2.1
131.08507	9.4
133.09157	3.4
133.10107	45.1
135.07976	2.4
135.11676	46.4
137.09662	2.0
137.13261	13.3
142.58463	1.7
143.08609	2.6
145.10086	17.7
147.07993	1.9
147.11678	31.6
149.13234	27.3
157.10196	3.8
159.11649	19.5
161.13242	29.9
163.14793	23.9
165.12700	2.8
169.10075	2.3
171.11638	3.6
173.13235	11.6
175.14803	16.1
177.16321	13.0
183.11537	1.9
185.13161	4.0
187.14795	3.8
189.12743	1.8
189.16357	18.0
191.14369	1.9
191.17885	36.9
199.14861	2.6
201.16351	8.0
203.14476	1.6
203.17957	23.5
205.19440	3.5
207.17406	6.7
213.16443	2.0
215.17873	3.4
215.37416	1.6
217.15839	2.2
217.19426	21.0
227.17857	2.3
229.19435	3.8
233.19040	2.5
235.20535	12.3
243.20988	2.5
379.96960	2.0
407.37262	2.7
413.37622	7.7
425.33179	2.3
425.38501	15.8
443.34717	2.5
443.39694	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42448	0.8
53.03933	1.1
53.81187	0.8
55.01860	1.9
55.05497	13.8
57.07067	2.4
67.05188	1.5
67.05491	25.1
69.03403	1.2
69.07051	24.4
71.04978	1.2
79.05475	16.9
79.98090	1.0
81.07034	55.7
83.04961	2.2
83.08592	9.7
85.06477	1.4
86.05724	0.9
91.05456	15.7
93.07015	38.2
95.04940	2.0
95.08581	100.0
96.08929	1.6
97.06521	4.7
97.10125	7.3
99.08076	1.7
105.07006	35.0
107.07858	2.3
107.08578	62.6
109.06512	4.9
109.10136	53.8
111.08067	5.2
111.11672	2.1
117.07000	1.7
119.08553	49.1
121.10114	54.7
123.08024	5.0
123.11682	22.9
125.09603	4.5
131.08521	5.8
133.09178	2.0
133.10107	39.5
135.08035	1.3
135.11665	41.3
137.09625	2.2
137.13226	5.3
139.11139	2.5
145.10115	16.0
147.11664	29.5
149.09613	1.4
149.13231	21.3
151.11163	4.9
157.10117	2.6
159.11629	12.8
161.13211	24.4
163.14778	19.3
165.12746	1.2
167.06984	1.4
169.10184	1.6
171.11678	2.1
173.13235	7.2
175.14809	12.3
177.12666	1.6
177.16391	12.6
179.14325	2.3
185.13184	1.6
187.14745	8.7
189.16350	16.1
191.17903	38.1
199.14851	1.8
201.16370	7.9
203.17921	19.5
205.19524	2.7
207.17433	5.5
211.14775	1.5
213.16280	1.5
215.17879	2.2
217.19476	23.3
219.13757	1.6
221.15320	1.3
221.19028	7.0
227.17780	1.2
229.19481	1.9
231.20964	2.0
235.16792	1.5
235.20580	15.9
241.19753	1.1
243.20981	1.7
269.22604	4.6
280.24017	1.3
395.36603	2.4
397.30954	2.6
413.37549	6.0
425.38284	16.0
443.35257	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82133	2.0
55.05505	22.2
57.07053	3.4
67.05492	25.0
69.07053	32.3
79.05462	6.6
81.01746	2.3
81.07040	49.3
83.08591	14.2
87.04441	2.6
91.05456	17.2
93.07025	43.2
95.08585	100.0
96.69856	2.8
97.10138	5.5
105.07023	40.5
107.08575	66.2
109.10146	67.3
111.08002	4.1
119.08559	53.1
121.10113	59.1
123.11678	27.0
125.09631	9.6
131.08577	3.3
133.10115	39.1
135.08055	3.0
135.11667	40.3
137.13229	12.5
145.10109	12.4
147.11649	28.2
149.13226	23.9
159.11668	12.8
161.13197	31.3
163.14815	33.8
173.13226	4.8
175.14745	21.7
177.16354	18.1
187.14777	11.0
189.16307	15.3
191.17911	45.6
201.16309	10.2
203.17928	26.1
205.19487	4.3
215.17926	3.4
217.19504	32.5
221.18901	3.7
235.20500	20.9
314.23157	2.8
407.36844	4.9
413.37656	6.2
425.38229	24.4
429.25098	3.0
443.33572	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07899	1.9
55.05504	13.9
56.82433	1.6
57.07051	3.9
67.05494	30.8
69.07057	25.5
72.15060	2.1
74.15378	1.8
79.05464	14.7
80.30624	1.7
81.07033	45.5
83.08602	10.5
86.32561	2.0
87.40700	1.8
91.05464	13.7
93.07018	39.5
95.08585	100.0
95.09196	4.0
97.06567	2.2
97.10144	10.7
104.99269	3.6
105.07017	30.5
107.08574	70.3
109.10137	63.1
111.11694	4.7
113.04925	1.9
119.08564	43.1
121.10122	53.0
123.08071	2.2
123.11686	28.0
125.09602	4.0
131.08539	3.3
133.10101	35.4
135.11662	38.9
137.05974	2.3
137.13229	4.7
145.10104	8.4
147.11681	27.4
147.71339	2.0
149.13243	22.5
159.11708	8.6
161.13231	24.3
163.14780	31.9
173.13229	7.8
175.14764	18.6
177.16347	17.6
187.14745	4.1
189.16350	16.2
191.17903	44.5
201.16359	3.4
203.17909	22.1
205.19461	3.3
207.17526	3.2
215.17917	8.6
217.19473	35.1
221.19022	4.5
229.19360	3.0
235.20566	16.2
243.21078	2.6
263.23535	2.4
299.47809	2.2
395.36475	3.6
407.76108	2.1
413.37833	7.6
425.37845	26.9
443.33667	26.8
443.39169	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42448	0.8
53.03933	1.1
53.81187	0.8
55.01860	1.9
55.05497	13.8
57.07067	2.4
67.05188	1.5
67.05491	25.1
69.03403	1.2
69.07051	24.4
71.04978	1.2
79.05475	16.9
79.98090	1.0
81.07034	55.7
83.04961	2.2
83.08592	9.7
85.06477	1.4
86.05724	0.9
91.05456	15.7
93.07015	38.2
95.04940	2.0
95.08581	100.0
96.08929	1.6
97.06521	4.7
97.10125	7.3
99.08076	1.7
105.07006	35.0
107.07858	2.3
107.08578	62.6
109.06512	4.9
109.10136	53.8
111.08067	5.2
111.11672	2.1
117.07000	1.7
119.08553	49.1
121.10114	54.7
123.08024	5.0
123.11682	22.9
125.09603	4.5
131.08521	5.8
133.09178	2.0
133.10107	39.5
135.08035	1.3
135.11665	41.3
137.09625	2.2
137.13226	5.3
139.11139	2.5
145.10115	16.0
147.11664	29.5
149.09613	1.4
149.13231	21.3
151.11163	4.9
157.10117	2.6
159.11629	12.8
161.13211	24.4
163.14778	19.3
165.12746	1.2
167.06984	1.4
169.10184	1.6
171.11678	2.1
173.13235	7.2
175.14809	12.3
177.12666	1.6
177.16391	12.6
179.14325	2.3
185.13184	1.6
187.14745	8.7
189.16350	16.1
191.17903	38.1
199.14851	1.8
201.16370	7.9
203.17921	19.5
205.19524	2.7
207.17433	5.5
211.14775	1.5
213.16280	1.5
215.17879	2.2
217.19476	23.3
219.13757	1.6
221.15320	1.3
221.19028	7.0
227.17780	1.2
229.19481	1.9
231.20964	2.0
235.16792	1.5
235.20580	15.9
241.19753	1.1
243.20981	1.7
269.22604	4.6
280.24017	1.3
395.36603	2.4
397.30954	2.6
413.37549	6.0
425.38284	16.0
443.35257	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
50.85092	1.5
51.67358	1.4
55.05501	16.0
57.07059	8.1
59.15790	1.5
67.05492	21.6
69.07057	33.2
71.04974	10.0
71.08612	1.5
79.05463	14.5
81.06591	3.4
81.07039	57.4
83.08607	14.2
83.11571	1.6
88.68633	1.4
91.05450	13.6
93.07027	51.6
95.04915	2.0
95.08585	99.8
95.09202	3.6
95.46873	1.6
97.06482	1.8
97.10143	8.9
99.08054	3.2
105.07008	34.8
107.08582	85.8
109.10149	63.3
109.10876	1.6
111.11702	1.6
119.08556	60.3
121.10126	78.9
123.11677	38.8
127.11166	11.8
131.08531	7.2
133.10103	57.8
135.11670	89.5
137.13235	13.8
145.10115	10.9
147.11665	49.2
149.13228	44.8
159.11687	19.1
161.13245	34.8
163.14771	17.1
173.13214	3.9
175.14832	14.7
177.16353	7.3
187.14856	4.1
189.16344	24.9
191.17908	100.0
201.16316	14.3
203.17946	35.6
215.17928	4.0
217.19473	37.5
233.18982	4.1
235.20538	7.0
245.22588	2.0
336.80527	1.7
407.36728	9.9
425.37692	79.6
443.38715	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	443.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
54.49748	0.8
54.94271	0.7
55.05501	14.6
57.03402	0.9
57.07056	5.8
57.86134	0.7
67.05490	36.8
69.03429	1.4
69.07052	26.1
71.08587	0.8
79.05468	15.2
81.07035	56.3
83.04963	1.1
83.08611	11.2
85.06543	1.4
91.05450	12.5
92.09309	1.7
93.07018	46.2
95.08582	100.0
97.06503	7.5
97.10132	9.3
99.08076	6.0
105.07008	28.3
107.08575	75.6
109.06503	2.1
109.10137	97.8
111.08050	3.6
111.11686	3.8
117.06953	1.4
119.06062	0.9
119.08555	40.6
121.10116	52.3
123.08042	3.7
123.11682	22.7
124.70162	0.9
125.09604	4.6
127.11188	3.6
131.08543	4.8
133.10107	29.3
135.08017	1.0
135.11667	42.8
137.09642	1.2
137.13254	9.3
141.89793	0.9
143.08478	1.5
145.10080	10.4
147.11658	23.9
149.13246	24.4
151.11169	0.9
155.08621	1.0
159.11658	12.6
161.13217	23.8
163.11160	0.9
163.14787	20.3
165.12685	0.9
171.11652	1.8
173.13237	5.7
175.14775	12.2
177.16408	8.3
179.14281	4.8
185.13181	1.3
187.14775	6.1
189.16331	16.0
191.17900	33.6
201.16406	5.1
203.14343	1.4
203.17905	17.7
205.15828	2.0
205.19508	6.0
207.17464	7.3
213.16367	1.4
215.17888	4.9
217.15932	1.6
217.19484	13.6
219.17448	1.1
221.18956	1.5
231.17511	1.2
233.18848	2.0
235.20628	1.9
243.21042	1.1
257.22260	1.1
263.23730	1.1
299.27429	3.6
407.37045	6.2
425.37891	28.3
443.34125	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	443.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.3
57.07060	4.2
65.54584	1.8
67.05490	25.9
69.07052	25.9
79.05480	17.5
81.07042	59.6
83.08598	11.5
91.05451	12.0
92.08683	2.1
93.07020	44.6
95.08583	100.0
97.10132	9.2
104.79957	1.7
105.07001	34.1
107.08582	77.4
109.10146	78.5
111.08046	1.9
111.11697	2.2
119.07812	3.1
119.08574	42.5
121.10126	76.3
123.08015	2.5
123.11656	26.7
125.09583	9.0
131.08513	3.9
133.10103	39.0
135.11673	48.6
137.13226	9.9
139.11127	7.3
145.10110	10.8
147.11667	36.3
147.67744	1.8
149.13251	28.2
151.13452	1.8
151.14723	2.3
159.11647	12.2
161.13231	29.5
163.14790	30.7
173.13234	8.4
175.14790	15.8
177.16319	13.7
179.14217	3.6
187.14819	8.2
189.16348	19.0
191.17918	73.7
191.19646	3.3
201.16286	4.6
203.17950	24.2
205.19469	2.6
207.17427	3.7
217.19492	35.8
221.18907	8.0
231.20973	2.4
233.19081	2.3
235.20534	21.7
407.32953	10.3
413.37622	4.4
416.63885	2.2
418.13712	2.1
423.41815	2.0
425.38190	27.0
443.33441	25.9
443.38861	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	443.3879
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.77841	0.6
53.03930	1.0
55.01861	0.8
55.05498	16.2
57.03417	0.6
57.07056	4.7
65.03925	0.8
67.05488	31.7
69.03414	0.9
69.07054	24.0
71.04964	1.9
71.08605	1.3
79.05470	17.5
81.03381	3.4
81.07034	62.3
82.77587	0.6
83.08600	12.5
85.06509	1.2
91.05457	11.8
92.09295	0.9
93.07018	45.9
95.04939	1.2
95.08578	100.0
97.05958	0.7
97.06492	5.8
97.10145	6.9
99.08061	1.7
105.07004	29.7
107.08571	68.8
109.06472	1.8
109.10135	92.0
111.08060	5.7
111.11687	4.4
117.06971	1.9
119.08553	43.5
121.10113	56.1
123.08056	1.4
123.11674	27.5
125.09595	5.0
127.11127	1.6
131.08522	7.1
133.06404	1.6
133.10101	34.5
135.11661	47.7
137.09558	0.9
137.13217	10.3
139.11269	1.0
140.16798	0.7
143.08507	1.1
144.09471	0.9
145.10078	10.5
147.08028	1.2
147.11664	32.8
149.13228	24.0
151.11076	1.6
151.14818	1.4
157.10085	1.7
159.11653	14.9
160.12529	1.0
161.09549	1.1
161.13199	27.0
163.14783	21.1
165.12723	1.4
171.11613	1.5
173.13275	9.4
175.14769	13.5
177.12863	0.8
177.16304	8.5
179.14281	4.0
183.11618	1.1
185.13231	4.7
187.14751	5.0
189.16351	20.4
191.17905	25.1
199.14807	1.7
201.16374	7.3
203.14284	18.4
203.17929	19.9
205.15913	1.6
205.19437	4.6
207.17336	8.2
213.16319	1.2
215.17892	7.4
217.15887	1.7
217.19467	12.5
219.17436	1.6
221.15431	1.3
221.18925	4.6
227.17883	1.8
229.19456	1.9
231.20993	1.5
233.18845	1.7
234.62758	0.8
235.20595	4.1
241.19511	1.1
243.20940	1.0
245.22527	1.7
257.22638	1.6
269.22498	0.9
271.24243	0.8
297.25464	0.8
299.27139	1.6
303.60013	0.8
304.51019	0.8
313.40753	0.8
331.29755	1.4
379.33420	3.8
397.34515	3.6
407.36609	4.1
414.59045	0.8
425.32587	1.0
425.38083	21.1
426.34848	1.1
443.39136	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	443.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.0
57.05183	0.7
57.07064	5.1
59.54733	0.8
62.57778	0.8
65.03951	0.8
67.05493	31.0
69.06706	1.5
69.07055	25.2
70.80639	0.9
71.05014	0.9
71.08597	1.3
78.96843	0.8
79.05477	16.3
79.59087	0.8
81.07041	56.9
83.08606	12.4
85.02891	1.5
85.06538	0.9
85.74706	0.8
87.01775	0.7
91.05460	12.0
93.07027	42.6
95.04951	1.6
95.08588	100.0
97.06520	6.8
97.10171	8.2
99.08093	3.9
105.07008	29.8
105.07651	1.5
107.08578	72.1
109.06516	1.5
109.10141	98.2
111.08070	3.4
111.11708	3.4
117.07005	1.5
119.08562	40.6
121.10120	56.1
123.08066	3.0
123.11684	26.1
123.12527	1.5
124.53043	0.9
125.09612	4.1
127.11179	1.3
129.06947	1.0
131.08530	5.9
133.10107	33.3
135.08025	1.4
135.11674	43.7
137.09569	1.3
137.13261	8.6
139.11185	1.4
142.07764	0.8
143.08580	3.5
145.10126	9.6
147.08032	1.8
147.11664	27.7
149.11482	1.1
149.13231	23.5
151.11148	0.9
151.14793	1.6
157.10121	4.3
159.11667	12.3
161.13231	20.3
163.11179	0.9
163.14774	19.2
165.12697	1.9
171.11617	1.8
173.13184	6.9
175.14786	10.4
177.16356	6.1
179.14313	3.5
185.13332	1.8
187.14856	5.3
189.16333	15.8
191.14285	1.2
191.17914	29.7
191.65942	0.8
193.15819	1.1
199.14850	4.8
201.16370	5.3
203.14368	9.1
203.17921	14.8
205.19484	3.6
207.17447	7.3
215.17902	6.3
217.15907	5.5
217.19464	15.8
219.17520	1.0
221.19016	3.9
229.19583	3.4
231.20992	1.2
233.18954	3.6
235.20610	2.0
245.04347	0.8
245.22641	1.7
285.25992	1.1
299.27310	2.8
407.32281	1.5
407.36774	5.3
425.33347	6.8
425.38458	23.9
443.34406	5.4
443.38925	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	443.3517
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03946	3.5
55.05500	19.9
57.07056	6.3
64.47994	2.4
64.75327	2.3
67.05488	33.1
69.07053	39.7
70.97107	2.2
71.08616	2.7
79.05472	19.9
81.03394	14.8
81.07041	73.8
83.08587	12.3
85.06535	3.2
85.93909	2.6
87.26282	2.5
91.05456	28.2
92.08874	4.3
93.05472	2.9
93.06474	4.7
93.07014	72.8
95.04919	4.1
95.08582	95.3
97.06530	5.1
97.10149	5.1
97.52682	2.7
105.07006	61.2
107.08578	96.1
109.06508	5.4
109.10141	58.0
111.11710	4.5
113.72734	2.5
117.07010	5.6
119.08549	83.0
121.10127	77.7
123.08026	5.8
123.11697	28.4
129.06987	3.2
131.08568	24.0
133.10100	70.4
135.08029	3.3
135.09911	3.0
135.11662	58.6
137.13200	10.7
143.08528	16.3
145.10109	43.2
147.08052	4.6
147.11671	54.8
149.13246	32.8
157.10074	25.3
159.11676	53.9
159.50009	2.6
161.13240	42.6
163.14778	26.9
165.12686	4.9
171.11658	13.9
173.13208	30.9
175.11206	3.4
175.14810	44.3
177.16365	14.0
179.14397	2.9
183.11601	3.9
185.13193	14.8
187.14856	21.8
189.16350	27.2
191.14168	3.3
191.17883	19.8
193.15675	3.1
199.14777	10.6
201.16417	15.4
203.14281	100.0
203.17894	21.3
205.15829	4.9
207.17340	10.4
211.14909	3.8
213.16341	11.3
215.17921	13.9
217.15811	15.7
217.19466	5.3
223.14987	3.1
225.16293	3.7
227.17860	3.5
229.19453	10.9
231.17250	3.1
233.18852	3.8
241.19382	12.8
243.20979	4.9
253.19572	3.6
255.20985	13.0
256.81650	2.5
257.22586	10.3
258.10355	2.9
259.20609	3.6
271.20438	4.3
356.39182	2.7
364.35727	2.9
377.31845	5.2
379.33456	21.6
383.32816	16.2
389.31668	4.5
395.33044	13.5
397.34457	17.5
407.32947	36.9
425.34222	35.3
443.35263	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	443.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83863	1.8
55.01871	3.6
55.05500	12.0
57.03400	2.5
57.07072	2.9
67.05489	12.6
69.07059	18.3
69.90961	1.9
74.15156	2.4
76.63623	1.9
79.05468	10.3
81.07034	37.5
83.04973	3.9
83.08604	9.0
91.05460	14.0
92.09322	2.2
93.07026	38.7
95.08589	46.6
97.06481	4.0
101.05973	4.0
105.06998	31.1
107.08579	60.3
109.06493	13.4
109.10133	30.5
111.08038	2.5
119.08562	64.1
121.10104	44.3
123.08039	11.4
123.11674	10.7
127.37531	2.9
131.08553	8.9
133.10100	29.8
135.08035	2.8
135.11667	38.5
137.09604	4.1
139.11145	12.4
143.08543	5.1
145.10095	23.5
147.08018	2.1
147.11655	22.8
149.09566	2.4
149.13284	3.6
151.11166	21.1
157.10150	12.4
159.11650	30.0
161.09616	3.7
161.13229	34.9
163.14761	26.6
171.11664	11.6
173.13177	16.1
175.11168	2.3
175.14735	4.1
179.14279	61.2
181.15770	2.5
185.13206	12.1
187.14854	14.9
189.12770	9.3
189.16374	8.4
191.17880	2.7
193.15910	2.9
199.14726	14.7
201.16393	29.1
203.14339	3.5
203.17905	34.5
207.13739	2.6
213.16368	3.0
215.17865	3.8
217.15839	46.2
219.17424	5.2
227.17940	13.7
235.16875	35.8
245.19025	3.0
255.21053	5.1
263.19821	2.3
269.22507	9.1
389.31949	3.7
407.27811	4.7
407.33014	100.0
425.34018	43.4
443.35071	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.01864	1.4
55.05507	9.8
57.07058	1.2
67.05491	13.6
69.07055	13.4
71.04979	1.5
79.05471	7.7
81.07037	24.6
83.04961	4.0
83.08613	9.3
85.06496	1.1
85.73825	1.0
87.98807	1.1
91.05455	4.9
93.07021	17.0
95.08583	35.0
97.06524	4.5
97.10114	1.5
105.07005	20.4
107.08582	26.9
108.15849	0.9
109.06495	3.8
109.10135	22.6
111.08077	1.7
117.07008	1.9
119.08556	22.9
121.06499	3.8
121.10118	20.6
123.08015	3.9
123.11667	7.6
125.09631	1.3
131.08551	7.8
133.10095	19.7
135.08043	4.2
135.11670	17.4
137.13226	2.0
139.11162	1.4
143.08557	1.7
145.10126	6.9
147.08047	1.5
147.11661	9.4
149.09615	2.1
149.13255	5.3
151.11232	1.6
157.10078	4.1
159.11638	8.3
161.09613	5.7
161.13223	9.8
163.11111	1.1
163.14838	4.5
165.09068	1.4
169.10143	1.2
171.11700	4.0
173.13261	6.8
175.11198	2.0
175.14793	13.4
177.12683	1.2
177.16348	10.2
179.14305	1.4
183.11717	1.8
185.13243	1.9
187.14841	6.0
189.12798	4.3
189.16335	11.0
191.17987	3.9
197.13313	3.7
199.14832	4.1
201.16393	2.0
203.14348	3.8
203.17958	4.5
205.15945	1.3
207.17442	4.9
211.14870	1.7
213.16396	1.5
215.14360	1.2
217.15872	12.3
227.18007	1.8
229.15982	1.3
229.19490	1.0
231.17393	24.0
235.16965	2.1
241.19438	1.3
243.21185	1.7
245.18974	1.7
253.19577	1.9
271.20413	7.1
279.23215	1.4
285.21915	1.0
289.21573	1.8
317.21176	0.9
389.32028	1.3
407.32986	5.7
425.34225	15.2
432.57632	1.1
443.35202	100.0
444.36108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05505	20.3
56.48030	2.2
57.03412	3.2
57.07059	4.6
63.59286	2.2
67.05496	37.8
69.03423	2.9
69.07055	33.6
71.04948	2.6
79.05481	24.3
79.06327	2.4
81.07036	73.5
83.08606	15.3
85.06534	3.7
91.05462	32.2
93.07022	65.2
93.83481	2.5
95.04940	4.7
95.08580	100.0
97.06510	5.7
97.10148	10.3
101.58083	2.2
105.07013	53.1
106.84985	2.4
107.08577	87.7
109.06482	10.7
109.10146	58.5
111.08044	4.7
117.07009	4.9
119.04924	38.4
119.08556	70.8
120.08936	2.6
121.06494	3.6
121.10121	63.5
123.08068	12.4
123.11681	30.5
125.09566	4.2
131.08556	20.9
133.10103	57.1
135.08000	4.0
135.11649	53.0
137.13232	14.7
139.11203	2.9
142.07761	2.4
143.08531	13.2
145.10074	27.2
147.04385	95.0
147.07983	4.1
147.11668	38.0
149.13220	20.0
151.11134	10.9
157.10123	17.0
159.11674	27.0
161.09596	5.2
161.13249	29.2
162.73488	2.6
163.14787	36.6
167.68625	2.4
169.10210	3.9
171.08063	2.8
171.11700	12.3
173.13222	20.4
175.11185	3.2
175.14786	23.1
177.12822	3.3
177.16342	13.8
179.14264	10.1
181.09988	2.5
183.11710	3.9
185.13284	4.9
187.14763	12.0
189.12772	3.9
189.16328	21.7
191.17964	23.7
195.13850	5.0
199.14804	14.4
201.16374	13.6
203.14262	24.1
203.17966	17.1
207.17442	10.4
211.14792	2.6
213.16373	3.4
215.17993	9.7
217.15814	11.7
217.19530	12.6
221.19083	3.3
225.16341	3.5
227.17842	4.6
229.19476	2.7
235.16855	47.1
235.20546	3.7
245.18997	2.5
255.21057	4.4
269.22662	3.6
313.75552	2.7
379.33359	4.4
381.35370	2.5
392.76495	2.4
397.34775	3.7
407.32935	10.6
425.33911	24.1
425.38950	3.7
443.35529	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.83863	1.8
55.01871	3.6
55.05500	12.0
57.03400	2.5
57.07072	2.9
67.05489	12.6
69.07059	18.3
69.90961	1.9
74.15156	2.4
76.63623	1.9
79.05468	10.3
81.07034	37.5
83.04973	3.9
83.08604	9.0
91.05460	14.0
92.09322	2.2
93.07026	38.7
95.08589	46.6
97.06481	4.0
101.05973	4.0
105.06998	31.1
107.08579	60.3
109.06493	13.4
109.10133	30.5
111.08038	2.5
119.08562	64.1
121.10104	44.3
123.08039	11.4
123.11674	10.7
127.37531	2.9
131.08553	8.9
133.10100	29.8
135.08035	2.8
135.11667	38.5
137.09604	4.1
139.11145	12.4
143.08543	5.1
145.10095	23.5
147.08018	2.1
147.11655	22.8
149.09566	2.4
149.13284	3.6
151.11166	21.1
157.10150	12.4
159.11650	30.0
161.09616	3.7
161.13229	34.9
163.14761	26.6
171.11664	11.6
173.13177	16.1
175.11168	2.3
175.14735	4.1
179.14279	61.2
181.15770	2.5
185.13206	12.1
187.14854	14.9
189.12770	9.3
189.16374	8.4
191.17880	2.7
193.15910	2.9
199.14726	14.7
201.16393	29.1
203.14339	3.5
203.17905	34.5
207.13739	2.6
213.16368	3.0
215.17865	3.8
217.15839	46.2
219.17424	5.2
227.17940	13.7
235.16875	35.8
245.19025	3.0
255.21053	5.1
263.19821	2.3
269.22507	9.1
389.31949	3.7
407.27811	4.7
407.33014	100.0
425.34018	43.4
443.35071	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	4alpha-Methylzymosterol-4-carboxylate
Peak:m/z	Relative Intensity
53.03933	1.1
55.05499	9.4
57.03440	1.3
57.07053	4.4
67.05491	21.0
69.07047	20.1
69.76236	1.0
71.08616	1.1
79.05467	12.4
81.07034	42.6
83.08606	10.1
87.37447	0.9
91.05443	12.2
91.60603	1.2
93.07015	43.2
94.02898	1.3
95.04926	1.3
95.08581	100.0
97.06473	2.8
97.10122	5.4
105.07005	29.4
107.08572	73.1
107.65015	1.6
109.10131	41.7
111.08034	2.6
111.11702	1.7
114.37418	1.1
117.06964	1.7
119.08552	67.6
121.10114	58.9
123.11663	19.6
131.08548	6.9
133.10081	38.5
135.11661	44.4
137.13226	5.3
143.08536	1.6
145.10107	12.3
147.11661	41.8
149.13219	28.2
151.11113	1.1
157.10063	2.0
159.11638	12.4
161.13219	34.7
163.14774	48.6
171.11610	2.4
173.13223	13.9
175.14783	22.8
177.16385	18.6
179.14240	2.2
187.14799	12.7
189.16347	63.2
191.17912	35.7
193.15825	1.5
199.14728	2.0
201.16322	10.2
203.17918	33.1
207.17519	5.3
213.16310	2.2
215.17859	11.3
217.19446	26.4
227.17973	2.3
229.19411	9.7
231.20992	7.1
235.16913	9.8
241.19403	2.3
243.21040	12.6
255.21017	4.8
257.22531	9.8
261.18417	2.0
263.19934	1.5
269.22388	1.4
283.24100	9.4
287.19781	1.7
289.21588	2.6
303.22998	1.4
309.25540	2.3
379.33542	24.8
397.34564	59.3
425.34100	33.6
443.34671	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3517
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05497	19.5
57.07063	5.3
67.05500	22.7
69.07053	31.7
79.05475	19.3
81.07034	60.9
83.04943	4.0
83.08604	6.6
91.05466	15.1
93.07027	63.8
95.08585	91.4
97.06552	5.1
97.10139	4.2
105.07021	35.0
107.08582	100.0
109.06564	3.0
109.10139	58.0
113.09636	3.9
117.06976	5.2
119.08566	66.8
121.06480	3.8
121.10117	85.8
123.08009	3.7
123.11687	21.4
125.70522	2.9
127.11121	3.9
131.08539	13.8
133.10109	50.8
135.07954	4.2
135.11685	69.6
137.13240	4.9
139.11131	4.2
145.10143	31.2
147.11627	25.4
149.09669	5.5
149.13254	35.0
151.11159	4.4
153.12720	4.7
157.10101	7.4
159.11668	27.9
161.09506	3.1
161.13254	25.7
163.11206	12.3
163.14810	13.7
165.09135	5.4
171.11685	6.3
173.09492	3.6
173.13239	22.5
175.14780	37.4
177.12715	4.4
177.16313	5.9
179.14288	4.1
183.11684	4.7
185.13184	5.1
187.14742	21.5
189.12730	4.1
189.16359	24.5
191.17894	12.0
193.15851	7.5
197.13190	5.8
199.14815	4.7
201.16438	5.9
203.14325	12.6
203.17900	5.6
207.17485	5.1
211.14717	6.0
213.16325	6.7
215.14365	4.3
215.17995	5.8
217.15964	4.1
227.17859	6.4
241.19492	4.5
243.21007	6.9
253.19617	4.5
255.20995	17.5
259.20557	7.4
267.21140	4.0
271.20441	4.0
273.22012	18.8
285.22119	5.8
379.33838	3.7
389.31961	4.4
407.32965	74.0
413.33844	16.7
425.33890	79.2
443.34949	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
54.76291	1.7
55.01867	2.3
55.05499	17.4
57.03419	3.4
57.07064	2.8
57.59375	1.7
59.04973	2.0
64.02751	1.6
66.19722	1.6
67.05491	25.8
68.30578	1.8
69.07056	24.1
73.11396	1.8
79.05465	18.5
81.06593	3.0
81.07035	56.0
81.62212	2.2
83.04958	4.1
83.08591	13.6
85.06511	8.6
85.16087	2.0
91.05455	21.2
92.09348	3.8
93.07018	62.4
95.04948	3.2
95.08581	78.1
96.08910	4.6
97.10117	2.2
105.06999	48.7
107.08572	93.1
108.08883	3.0
109.06478	13.9
109.10143	45.8
110.10470	3.0
111.08069	3.1
113.00004	2.5
117.06980	4.5
119.08554	88.5
119.09391	4.0
120.08919	2.3
121.06490	3.5
121.10107	69.2
122.10430	2.7
123.08035	14.5
123.11681	13.0
123.50431	2.4
125.09631	6.7
129.06912	2.9
131.08534	17.1
133.10091	51.5
133.11015	2.6
134.10451	2.4
135.08026	4.0
135.11671	50.2
137.09631	4.3
137.13223	3.7
139.11140	8.1
143.08537	9.9
145.10112	33.0
147.11661	37.0
149.09595	2.7
149.13257	13.2
151.11137	31.6
153.12685	2.6
157.10129	12.5
159.11679	34.4
160.11932	2.3
161.13232	38.7
163.11154	3.1
163.14781	13.0
171.11697	14.3
173.13232	20.6
174.05640	1.9
175.14786	14.8
177.12636	2.5
179.14272	33.9
185.13176	16.1
187.14832	18.2
189.12721	16.1
189.16368	11.4
191.14262	3.4
191.17949	10.8
192.18364	2.4
193.15865	2.7
199.14851	18.1
201.16310	30.1
203.14230	8.6
203.17940	32.2
205.15804	4.1
207.13771	2.9
207.17455	2.0
213.16370	10.5
215.17886	7.7
217.15845	12.7
219.17485	2.4
227.17894	10.9
229.19499	2.4
235.16881	36.1
253.19418	2.1
255.20808	3.1
269.22467	3.7
281.60034	2.1
314.27582	2.3
389.32037	2.6
407.32983	100.0
425.33804	45.7
443.34921	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94808	0.3
55.05498	0.4
57.03428	0.4
57.05775	0.3
60.05635	6.3
67.05451	0.3
69.03413	0.8
69.07054	9.7
70.06578	19.3
70.07372	0.5
71.17207	0.3
72.04506	0.6
72.08139	1.6
77.36082	0.3
85.02886	1.4
86.09692	100.0
87.04432	0.5
87.10044	0.4
91.05437	0.3
93.07010	0.5
97.02916	0.5
97.07622	0.6
112.08717	3.1
113.07123	0.4
115.03941	0.5
115.08653	3.0
116.07068	8.1
119.04892	0.6
123.50889	0.3
128.10699	19.0
128.11642	0.8
129.12766	0.4
130.09747	2.9
131.11826	0.4
133.04939	0.4
147.04404	3.2
147.13832	0.3
156.10181	1.5
156.11295	7.2
157.10831	0.5
158.09232	6.3
163.22162	0.3
175.11879	14.8
207.73271	0.4
218.16118	0.4
263.16281	0.4
271.17563	4.0
288.20380	0.6
328.93835	0.4
373.44611	0.5
384.53827	0.3
389.95050	0.3
443.29675	54.5
444.29971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.78397	0.4
55.05502	3.1
57.03410	0.7
57.07069	0.7
64.91804	0.5
66.79549	0.4
67.05493	5.0
69.03417	0.7
69.07058	4.7
71.05004	0.5
71.80811	0.4
78.95656	0.4
79.05485	3.0
80.89826	0.5
81.07043	12.1
83.04966	1.8
83.08606	2.5
85.06506	0.9
91.05443	3.6
92.08694	1.0
93.07023	9.4
95.04944	2.3
95.08585	19.2
97.06518	2.2
97.10136	0.8
105.07011	11.4
107.08582	14.0
109.06506	1.0
109.10138	10.2
109.63499	0.5
119.08560	11.0
121.06506	3.1
121.10123	11.7
123.08009	1.1
123.11696	5.2
131.08551	2.9
133.10103	9.6
135.08067	3.5
135.11667	10.0
137.09610	0.9
137.13196	0.8
139.11247	0.6
143.08571	2.4
144.08992	0.4
145.10100	4.5
147.08026	2.1
147.11662	7.8
148.33463	0.5
149.09633	3.0
149.13248	5.5
152.84566	0.4
157.10135	3.2
159.08087	1.0
159.11700	4.2
161.09560	6.0
161.13248	4.1
163.11150	0.8
163.14841	2.4
169.10150	1.7
171.11621	3.6
173.09676	0.8
173.13191	4.1
175.11177	2.5
175.14816	7.0
177.16339	4.9
183.11754	1.1
185.13237	1.1
187.11240	0.8
187.14842	3.2
189.12756	2.6
189.16360	7.7
191.17946	0.6
197.13174	0.8
199.14859	2.9
201.12753	1.0
201.16388	1.1
203.14320	0.9
205.15930	0.5
207.17404	0.8
211.14815	1.7
213.16315	1.1
215.14264	0.9
215.17903	1.9
217.15912	2.8
217.19409	0.6
225.16287	0.6
227.17928	2.8
229.19502	1.0
231.17445	5.8
235.16884	4.3
241.19571	0.6
243.21048	0.9
245.18947	0.5
253.19490	1.0
267.21164	0.7
271.20435	3.6
275.63654	0.6
283.23978	0.5
289.21933	0.6
308.76755	0.6
329.24841	0.6
355.22577	3.7
389.31570	0.6
407.32953	3.2
425.34274	14.4
443.35129	100.0
444.35489	2.8
469.73651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
54.03451	2.3
55.01851	0.4
55.04241	2.7
55.30249	0.3
56.96553	0.3
57.03431	4.0
57.07063	0.5
59.04976	1.6
61.02913	1.5
67.05481	1.4
69.03417	7.2
69.07064	4.6
70.03300	0.3
70.07378	0.4
71.04976	9.6
72.05302	0.6
73.02877	0.6
80.04991	0.5
81.03415	1.4
81.04521	20.1
82.05307	8.2
83.04961	1.6
85.02413	0.6
85.02888	10.4
85.06514	3.7
86.03213	0.5
86.06864	0.4
87.04465	2.6
89.07973	0.3
92.08732	0.6
92.09230	0.5
95.04936	1.5
95.08572	1.9
97.02866	6.2
97.06519	0.4
98.03200	0.5
98.97570	1.5
101.05992	1.5
108.05574	0.6
109.02851	0.8
111.04433	0.5
113.05990	14.2
113.06741	0.7
113.09641	3.3
114.03751	0.9
114.06317	2.8
115.03915	2.4
116.98576	0.5
122.07128	83.6
123.07909	100.0
127.03886	2.0
131.07014	24.4
131.08008	0.8
131.10663	0.9
132.07365	4.7
133.04950	0.7
144.04794	0.5
145.04964	0.8
148.09691	0.6
149.11761	1.4
157.53113	0.4
160.04224	2.2
165.07669	3.3
172.04305	0.6
245.10245	0.8
281.10611	38.7
293.12238	1.5
313.48431	0.4
323.11600	0.4
328.61633	0.4
359.11945	0.4
443.15921	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.7
53.03933	0.8
55.01861	2.9
57.03428	30.8
57.07066	0.7
59.04990	5.5
60.04507	2.3
61.02917	6.3
65.52757	0.5
69.03415	80.7
71.01326	0.7
71.04984	1.0
71.08616	0.6
72.95142	0.4
73.02903	4.2
75.04482	3.5
81.03410	6.0
85.02888	100.0
87.04448	54.2
87.05239	0.7
91.03932	3.0
92.08963	2.9
95.04987	0.5
97.02866	62.3
99.04430	3.7
101.88243	0.4
103.03920	1.0
109.02870	6.6
111.04337	0.6
115.03905	46.5
127.03893	13.6
133.04938	52.6
139.03879	0.5
142.68610	0.5
145.04936	23.5
150.07602	7.3
151.03951	0.7
163.05969	8.4
169.04921	0.9
241.07091	0.9
245.85408	0.5
259.08142	1.9
277.09113	0.7
277.99130	0.5
293.19577	2.0
295.10236	2.6
335.08279	0.5
460.61819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.6
53.03924	0.9
53.80964	0.5
55.01857	2.2
55.05505	1.0
55.26624	0.4
57.03430	27.1
57.07061	0.7
59.04981	5.8
60.04510	0.5
61.02911	5.6
61.14432	0.5
69.03416	78.2
69.23988	0.4
69.38159	0.4
71.01340	0.7
71.04966	1.1
71.08607	3.1
73.02902	3.9
75.04458	3.1
81.03395	5.0
81.07055	0.5
83.04974	0.8
83.08617	1.3
85.02891	100.0
85.06525	0.5
87.04452	51.7
88.11229	0.6
91.03945	2.5
92.08981	4.8
93.07014	0.6
95.08590	0.6
97.02870	64.8
99.04446	4.0
100.07632	0.5
100.11242	3.0
101.02396	0.7
103.03933	0.8
109.02853	5.5
111.04412	2.7
115.03909	43.9
117.05492	0.7
123.04355	0.6
125.31356	0.6
127.03895	14.2
128.07074	0.8
130.32515	0.5
133.04945	42.6
145.04941	21.2
150.07631	5.4
163.05995	10.1
167.07773	0.6
169.04973	1.0
170.15352	8.3
180.08888	0.5
182.15370	4.0
198.14897	4.0
210.14850	4.1
210.50595	0.5
259.08157	2.5
277.09177	2.0
278.88925	0.6
279.04037	0.6
293.19708	1.1
295.10199	2.5
301.40567	0.6
337.21085	0.5
424.31653	2.4
442.32562	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	443.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16591	0.9
53.00341	0.7
54.81926	1.1
56.96557	13.7
70.72571	0.8
72.74881	1.0
82.22089	0.9
96.51278	0.9
98.97559	87.9
99.97942	1.5
116.98598	97.3
117.26380	0.8
117.98967	1.1
119.01906	3.9
134.98596	2.2
134.99634	67.7
137.02954	3.6
153.00691	11.0
155.06992	3.7
163.86470	0.9
177.00911	8.7
185.06514	1.0
187.08052	1.7
189.06105	1.9
189.07762	1.1
190.95464	1.3
191.05835	1.3
219.01976	5.4
220.01959	1.3
221.01862	2.0
223.58891	0.9
230.93352	2.3
234.99864	4.3
235.99947	1.1
240.98524	2.9
250.97610	1.3
254.93387	1.8
256.96536	3.4
258.99707	46.8
259.99985	10.3
260.99829	3.7
261.03009	16.5
262.03131	6.0
263.02780	8.8
264.02908	1.2
272.94296	14.0
274.97516	11.3
275.97977	1.0
276.97977	3.5
277.00757	100.0
278.01001	20.3
279.00818	5.7
282.99796	6.3
283.99884	1.1
284.99789	4.2
290.95456	9.4
292.98492	8.8
293.98853	1.7
294.98792	1.1
295.01816	1.7
298.97699	5.7
299.09702	9.3
300.09863	5.3
301.00964	13.7
301.09659	6.8
302.01074	3.5
303.00793	11.0
306.93100	1.4
316.98703	11.6
330.93402	1.0
332.96161	1.2
356.96713	2.1
357.96719	13.3
358.96478	2.1
382.99936	1.8
395.91388	1.2
396.94781	9.4
398.93927	1.2
400.96686	3.9
401.01617	13.4
402.01157	3.3
414.95535	20.3
419.01904	5.6
419.91647	3.8
437.92197	1.6
443.02261	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61080	1.2
53.00286	1.9
53.69329	1.3
55.01846	1.2
55.05491	6.5
57.03424	44.5
59.04973	7.2
61.02909	3.6
67.05482	3.1
69.03411	85.7
69.07047	3.9
69.11009	1.4
71.04971	34.6
73.02908	2.6
75.04471	1.8
77.51531	1.3
78.31192	1.4
79.05460	8.5
81.03394	6.7
81.07034	76.7
83.04951	1.9
83.08607	13.3
85.02888	72.5
85.06505	2.7
87.04444	48.9
91.05453	3.6
92.09006	8.7
93.07031	2.5
94.54309	1.5
95.04945	3.4
95.08580	28.5
95.09138	2.6
97.02866	74.3
99.04430	3.9
101.05959	1.9
107.04944	2.8
107.08530	2.6
109.02859	7.7
111.08015	1.8
112.59514	1.6
113.09620	100.0
115.03904	58.7
119.04910	3.4
119.08511	2.2
121.06481	1.8
121.10104	11.5
122.03611	2.4
123.04396	6.2
127.03866	10.0
129.09126	1.9
131.08504	2.4
131.10645	52.9
133.04922	44.4
137.05948	72.6
140.04639	3.9
145.04945	7.7
145.10107	6.4
146.06023	3.9
147.06358	2.4
147.11644	2.3
149.09506	1.5
151.07571	1.8
153.05484	2.0
155.07045	2.4
155.08501	3.6
163.05971	2.0
163.07503	1.9
163.11153	7.4
165.06966	1.8
165.74855	1.6
167.06993	32.8
173.09566	3.0
181.12112	2.5
183.07889	2.2
191.10631	12.7
211.07483	7.0
227.07109	1.9
227.12738	14.0
243.10124	3.3
245.13760	3.3
255.06612	1.7
259.07895	2.3
263.14688	3.1
271.09528	6.9
276.61713	1.6
288.09824	33.0
293.15881	10.7
295.10178	2.4
301.10373	2.2
302.11407	20.8
303.12234	22.9
377.15686	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	442.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37396	0.6
52.11747	0.6
52.88900	0.5
52.94519	0.6
53.37949	0.5
54.44593	0.5
55.01849	0.8
55.05499	4.1
55.18797	0.6
57.03213	0.6
57.03430	10.0
57.92944	0.7
59.04985	1.2
63.57462	0.5
66.23906	0.6
67.05476	2.8
69.03413	28.7
69.07055	3.1
70.06583	1.3
71.04978	15.4
72.08133	8.0
73.02886	0.7
75.04430	0.9
79.05460	0.8
81.03395	1.7
81.07030	4.1
83.04948	1.1
85.02414	1.2
85.02889	21.4
85.06516	1.3
87.04451	17.5
93.07021	0.9
95.04971	0.8
95.08583	27.9
97.02872	21.5
101.41681	0.7
105.07056	0.8
107.04981	1.0
109.06560	0.9
113.09626	100.0
115.03909	18.1
118.06533	3.8
119.04964	1.2
119.07297	41.5
120.08080	1.1
121.10119	0.7
122.05993	1.4
123.04395	0.9
123.08121	0.8
127.03899	1.1
127.07547	4.8
130.06538	1.5
131.10660	28.7
133.04926	15.1
134.06026	8.2
135.04387	1.1
135.06741	3.4
137.05949	16.1
145.04959	1.4
150.05458	1.4
150.07608	1.1
167.07004	18.9
176.07001	1.6
225.09093	0.8
235.07414	0.8
237.09131	1.1
241.08618	1.2
252.10103	7.1
254.11766	10.7
256.09641	4.6
269.12781	16.6
270.11191	1.5
270.72018	0.9
280.09637	1.0
295.10147	1.2
298.10593	1.6
302.11429	4.2
303.12143	1.2
308.16611	1.2
315.13351	30.1
323.17429	1.0
324.15790	1.4
369.17868	2.8
377.15918	1.7
379.16678	1.5
414.20267	6.9
425.16739	1.4
442.19366	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81723	0.4
55.01852	0.5
55.05496	2.4
57.03429	23.4
59.04994	1.1
61.02929	0.6
61.83960	0.4
64.09085	0.4
67.05475	0.9
67.22549	0.3
69.03068	0.8
69.03419	18.6
69.07069	2.0
71.04985	3.2
72.08138	8.4
73.02906	1.0
75.04482	0.5
81.03389	0.7
81.07036	1.0
82.06560	0.8
83.04945	0.6
83.08624	0.5
85.02885	11.9
87.04458	9.8
89.04949	0.4
91.05452	0.6
92.08759	0.6
92.09254	1.0
93.17973	0.4
95.04966	0.8
95.08583	9.7
97.02869	12.9
101.08663	0.5
106.06519	0.9
107.04954	0.7
109.02869	0.6
109.06501	0.6
110.57193	0.5
113.06013	1.0
113.09628	100.0
115.03902	7.9
115.07544	1.0
118.06590	3.6
119.04943	2.2
119.07298	42.3
120.08064	0.9
122.05999	0.7
127.03864	1.7
127.07527	0.5
130.06496	1.1
131.07050	2.8
131.10652	15.3
133.04939	7.4
134.05984	10.0
135.04417	0.6
135.06761	6.3
145.04953	0.5
150.05469	2.9
161.05818	0.5
172.25493	0.5
176.07069	2.3
188.86096	0.5
207.08055	0.5
209.09538	0.5
210.06807	0.8
217.06520	0.5
225.09225	0.7
232.62971	0.4
235.07422	0.5
237.09094	1.1
240.10252	0.5
249.02164	0.5
252.10168	6.8
254.11746	9.2
256.09641	2.4
259.08026	0.6
269.12790	17.9
270.11285	0.8
280.09641	0.9
283.04868	0.5
287.67117	0.5
298.10736	3.9
308.16397	1.0
315.13333	27.5
323.17142	0.6
324.15887	0.9
368.19998	0.5
369.17996	3.0
397.17776	0.8
414.20160	6.8
425.17099	2.3
442.19583	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	442.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01855	0.9
57.03429	7.2
57.07068	5.2
59.04984	2.2
61.02919	3.3
67.05496	7.4
69.03414	19.8
69.07039	0.9
71.04975	10.3
73.02902	1.8
75.04455	0.5
78.53862	0.5
81.03387	2.5
85.02892	44.9
85.06537	7.6
87.04454	9.1
87.32345	0.5
91.03928	1.8
91.80714	0.4
95.04330	0.6
95.04948	17.5
97.02869	20.1
99.04442	0.8
109.02856	2.5
112.66687	0.5
113.05989	43.6
115.03910	6.0
127.03878	8.3
131.07018	100.0
133.04948	4.4
145.04942	10.6
149.08133	0.6
150.07571	0.7
163.05960	5.3
257.10101	0.8
293.12253	16.4
319.79510	0.6
433.27975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54430	0.4
53.03926	0.4
55.01857	1.1
57.03436	7.0
57.07069	6.6
59.04970	1.9
61.02914	4.2
67.05494	7.6
69.03415	21.6
69.07059	0.7
70.77982	0.4
71.04984	3.7
73.02895	0.9
75.04475	0.4
76.98821	0.4
81.03406	2.2
81.96334	0.4
85.02889	52.1
85.06521	5.1
87.04446	8.8
91.03930	2.0
95.04948	20.9
97.02863	18.2
99.04415	1.8
103.03925	0.5
109.02866	3.2
113.05988	42.0
115.03905	7.7
127.03906	9.0
131.07013	100.0
133.04935	4.6
145.04932	10.6
149.08089	0.7
163.06010	5.4
257.10135	0.8
293.12241	15.5
401.60706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01853	2.2
55.05506	36.1
55.78617	1.4
57.03434	21.0
59.04992	25.5
61.02925	11.3
65.29578	1.3
67.05495	6.9
69.03416	54.2
69.07063	19.2
70.06566	6.9
71.04957	2.8
73.02894	6.9
73.06515	6.8
75.04469	1.8
79.05472	7.4
81.03399	15.5
81.07040	33.2
83.04967	23.3
83.08610	46.9
85.02893	100.0
85.06538	8.6
87.04464	22.6
91.03925	2.7
93.07029	2.4
95.04938	2.8
95.08584	33.9
97.02875	59.8
97.06494	8.2
99.04427	9.2
99.08056	2.5
101.05979	15.2
101.09624	24.3
103.67590	1.6
105.06991	2.7
107.08565	3.4
109.02885	14.1
109.06487	8.8
111.08071	2.1
113.09627	33.5
115.03918	21.8
115.07553	44.7
117.05440	2.8
119.07005	2.8
127.03884	28.1
127.07537	19.7
131.10667	23.2
133.04944	18.8
133.06476	2.3
135.11627	1.7
137.05948	7.1
137.94116	1.5
145.04948	21.0
145.08551	7.5
147.04407	2.8
147.11713	2.0
151.07625	1.9
153.05450	3.3
161.05884	2.0
163.06021	7.2
163.09657	13.9
163.10957	1.7
167.06995	7.1
175.07489	2.7
179.07001	2.2
181.05032	2.2
187.07628	2.2
193.06500	1.6
193.08569	9.5
195.08127	1.6
205.08563	2.1
227.09068	3.2
245.10141	7.1
245.13921	2.1
263.11230	2.3
313.25671	1.7
371.17032	2.5
383.99304	1.6
447.42899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05505	13.3
55.69193	0.9
57.07053	6.7
62.68898	0.9
67.05486	23.4
69.07054	19.9
71.04964	1.9
79.05466	13.3
79.89263	1.1
80.67549	0.9
81.07034	64.2
83.04961	1.4
83.08605	10.5
85.06524	2.3
87.70667	1.0
91.05441	9.4
93.07024	32.2
95.08583	100.0
97.06506	1.3
97.10143	4.6
105.07015	28.7
107.08574	47.1
109.02872	2.3
109.06522	1.6
109.10150	46.7
111.08054	2.3
113.09612	2.1
117.06971	3.9
119.08555	43.0
120.08923	1.2
121.06512	1.5
121.10107	38.5
123.08031	3.9
123.11690	23.3
125.09603	2.3
129.07010	1.1
131.08536	11.1
133.10120	28.4
135.11671	29.7
137.09601	1.8
137.13232	21.0
143.08554	4.3
144.09190	1.1
145.10106	18.8
147.11662	21.8
148.20674	1.0
149.09665	1.1
149.13232	15.8
151.11131	1.9
155.08513	1.9
157.10106	7.5
159.08043	1.8
159.11646	18.7
161.09587	1.7
161.13217	16.8
163.11118	2.4
163.14803	13.6
164.62772	1.1
169.10072	1.4
171.11618	6.7
173.13229	14.7
175.14775	23.5
177.16400	9.1
179.14281	1.9
179.17923	2.3
181.09991	1.1
183.11736	1.9
185.13231	6.3
187.14780	10.2
189.16351	14.2
189.87305	1.2
191.14253	2.1
191.17915	14.2
193.15840	1.4
197.13171	2.0
199.14774	4.7
201.16347	10.7
203.17946	9.4
205.15903	2.2
205.19467	2.0
207.17468	4.2
211.14716	1.5
213.16351	5.3
215.14307	6.1
215.17911	13.1
217.15875	1.7
217.19484	4.3
219.17426	1.5
225.16354	1.9
227.17908	4.4
229.19485	5.2
233.15341	1.6
233.18967	4.9
239.17769	1.1
241.19475	2.4
243.17345	2.1
243.21046	4.8
245.18907	2.3
253.19391	1.1
255.21046	1.9
261.18323	1.5
271.24213	1.2
272.62442	1.0
293.32709	1.1
314.04156	1.0
326.77277	1.1
364.31830	1.1
388.14630	1.2
389.34579	1.1
395.36584	5.2
423.31827	6.8
423.37003	16.4
441.23175	1.3
441.31857	13.4
441.37244	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05499	16.0
57.07061	6.9
62.94432	2.9
63.52800	2.8
67.05489	19.8
69.07048	21.3
73.54717	3.0
79.05470	21.4
81.07036	58.2
82.29593	3.4
83.04977	4.1
83.08575	13.2
85.06548	4.9
91.05456	17.4
92.62766	3.2
93.07024	55.8
95.08591	100.0
97.06485	5.0
104.67637	3.1
105.07024	39.0
107.08578	79.4
109.10146	56.9
111.08085	4.5
117.42719	3.5
119.08545	62.8
121.10125	56.2
123.08075	4.1
123.11682	23.1
131.08537	13.4
133.10112	38.9
135.11685	52.2
137.13249	4.3
143.08514	7.0
145.10095	31.5
147.11685	46.8
149.13237	25.4
159.11687	21.8
161.13203	28.7
163.14819	26.9
163.16087	3.3
169.84193	3.7
171.11649	5.7
173.13249	21.8
175.14806	26.0
177.16364	7.7
187.14815	19.6
189.16348	21.4
191.14336	5.0
191.17894	45.6
193.15782	3.7
201.16370	18.5
203.14426	3.9
203.17987	16.6
205.19437	3.7
207.17398	6.5
213.16408	3.4
215.17955	20.1
215.69762	3.6
217.15677	5.2
217.19374	7.1
233.18983	8.2
241.19525	4.3
305.21259	3.4
394.39261	3.9
423.36484	39.9
441.32919	14.7
441.37842	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05506	12.1
57.07057	7.6
65.03925	1.1
67.05494	26.2
69.07056	23.0
71.08615	1.8
74.64400	1.2
79.05476	16.1
81.07039	61.3
83.04966	2.2
83.08610	10.3
85.06526	1.9
91.05465	18.3
93.07022	44.4
95.04971	1.7
95.08585	100.0
97.06474	2.1
97.10158	5.4
101.05666	1.1
105.07014	48.5
107.08577	73.6
109.06472	2.8
109.10138	53.2
109.10850	2.5
111.08087	2.6
111.11769	1.5
117.06998	6.1
119.07708	2.7
119.08558	77.8
121.06493	1.3
121.10116	53.7
123.08036	2.0
123.11679	22.0
125.09593	1.3
129.07007	4.4
130.07788	1.6
131.08536	21.6
133.10109	49.3
135.11673	35.6
137.09593	1.6
137.13237	12.3
143.08539	7.9
144.09329	4.5
145.10112	41.0
147.08154	1.5
147.11653	27.4
149.09610	1.8
149.13248	16.0
151.11160	2.6
155.08603	1.7
156.09308	1.6
157.10127	12.3
158.10878	1.3
159.11662	39.5
160.12250	1.5
161.09636	1.4
161.13237	19.9
163.11113	1.5
163.14763	14.2
169.10094	1.4
171.11642	11.0
173.13211	22.7
174.67915	1.2
175.14796	15.0
177.12642	2.0
177.16397	7.0
179.14249	1.6
183.11571	2.5
185.13223	6.3
187.14807	15.9
189.16322	16.4
191.17928	22.4
193.15865	1.9
197.13197	2.6
199.14822	7.3
201.12740	1.8
201.16292	15.8
203.17917	8.3
205.15843	1.5
205.19490	2.8
207.17406	6.3
211.14824	1.7
213.16364	6.7
215.17891	17.4
215.94760	1.2
217.19525	9.2
219.17401	2.4
225.16299	2.0
227.17883	7.1
229.15805	1.4
229.19492	2.6
233.18944	7.5
241.19455	2.3
243.17427	1.7
243.20943	2.4
245.18855	1.2
255.20932	1.3
257.22491	1.6
264.26495	1.3
362.21933	1.4
405.35553	3.4
411.35733	1.3
423.36578	18.2
441.32849	10.8
441.37985	2.5
462.03055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.07881	1.6
53.03931	2.0
55.05500	23.0
57.07055	9.9
59.04980	11.1
67.05485	26.8
69.06715	2.4
69.07053	44.2
71.04980	2.4
79.05448	17.8
81.07037	69.1
83.08612	19.1
91.05460	26.3
93.07024	66.5
95.04927	8.4
95.08579	95.1
97.06516	4.3
97.10124	7.1
105.07008	55.3
107.08574	100.0
107.09294	3.5
109.06516	9.5
109.10136	64.0
111.08061	14.0
111.11626	6.7
117.07006	8.1
119.08556	73.2
121.06473	2.3
121.10118	81.7
123.08042	10.2
123.11693	31.3
125.09579	3.1
129.06975	3.4
131.08546	29.4
131.69623	2.3
133.10109	63.7
135.08032	4.1
135.11674	73.1
137.09546	8.3
137.13228	10.7
139.11205	2.8
143.08536	13.5
145.10118	45.2
147.08115	2.3
147.11673	47.2
149.09589	3.6
149.13231	22.0
150.42322	1.9
151.11148	12.7
156.09363	3.1
157.10075	19.2
159.08090	2.8
159.11671	46.2
160.38626	2.0
161.09586	2.3
161.13232	29.9
163.11177	8.4
163.14758	21.5
169.09943	2.4
171.11696	11.8
173.13243	27.1
175.11182	2.8
175.14781	20.6
177.12759	4.0
177.16316	15.7
179.14299	3.6
183.11673	4.4
185.13222	13.8
187.14764	23.1
189.16313	23.5
191.14249	3.9
191.17886	21.3
197.13170	2.4
199.14781	9.6
201.12747	8.2
201.16402	16.1
203.14265	2.7
203.17902	22.0
205.15802	3.5
207.17493	14.5
211.14749	3.7
213.16359	12.9
215.17914	17.5
217.15971	2.2
217.19492	8.2
219.17429	2.8
227.18118	7.5
229.19495	11.1
233.19017	10.1
241.19464	4.6
243.21062	9.3
245.18877	3.3
247.20517	4.1
253.19360	4.2
255.21208	2.6
259.20688	2.9
261.22061	10.8
269.22595	9.1
275.23672	9.5
287.23456	2.4
301.25085	2.9
327.26682	2.6
405.35062	9.3
423.36557	74.8
441.32236	35.4
441.37558	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34487	1.7
55.05511	17.1
55.50254	1.7
57.07065	10.6
59.41948	1.5
64.33109	1.9
67.05495	25.7
69.07050	32.1
69.16454	1.7
71.04982	2.4
71.08621	1.8
79.05484	21.7
81.07035	55.7
83.04985	1.9
83.08597	11.8
85.06536	2.0
85.76656	1.7
91.05466	21.9
92.68869	1.6
93.07018	61.6
95.04939	3.2
95.08587	100.0
97.06499	7.1
97.10134	7.1
100.40736	1.9
105.07017	51.6
107.04966	2.1
107.08580	83.1
108.08902	1.9
109.06489	2.6
109.10144	48.0
111.08068	2.3
111.11687	2.4
117.07014	3.9
119.08557	70.9
121.06539	2.7
121.10122	62.0
123.08045	2.2
123.11683	28.8
125.09624	2.3
129.06989	2.8
131.08534	17.5
133.10107	53.6
135.08099	4.0
135.11656	53.9
137.09595	3.4
137.13220	8.0
143.08522	10.7
144.09282	2.3
145.10103	31.7
147.11670	44.9
149.09546	3.5
149.13234	28.0
151.11176	2.9
153.12732	1.8
155.08556	3.1
157.10085	14.3
159.08052	3.0
159.11652	30.4
159.60461	1.8
161.09572	2.6
161.13222	29.3
163.11203	3.4
163.14769	16.7
169.10100	2.9
171.11627	11.0
173.13206	23.3
175.14764	25.7
177.12656	3.0
177.16385	8.7
179.14290	3.9
183.11589	2.5
185.13196	4.6
186.13687	2.1
187.14774	17.1
189.12833	2.1
189.16359	39.1
189.50670	2.0
191.14259	12.4
191.17928	21.6
193.15781	3.2
199.14771	4.2
201.16316	20.8
203.17908	15.1
205.15868	7.4
207.17503	17.8
213.16408	6.8
215.17947	15.2
217.15941	2.3
217.19438	11.0
219.13902	3.3
219.17476	3.6
223.14536	2.2
227.17903	2.2
229.19711	5.2
233.18962	9.0
239.18204	2.2
241.19382	2.7
405.30954	3.3
413.34167	4.2
423.31897	10.5
423.36151	22.5
441.32465	30.3
441.37729	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	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
50.08223	0.6
55.05503	7.2
57.03406	0.9
57.07058	3.9
59.20105	0.8
67.05487	13.4
69.04585	0.8
69.07056	17.3
71.04991	0.7
71.08621	1.0
78.55950	0.8
79.05464	9.2
81.07037	30.8
83.04958	1.3
83.08591	6.9
85.06538	0.9
91.05431	8.3
93.07017	28.7
95.04945	1.6
95.08581	44.4
97.06509	11.6
97.10156	4.7
105.07010	20.0
107.04996	0.9
107.08575	39.0
109.06490	9.8
109.10138	27.0
111.11754	1.4
117.06968	1.2
119.08546	25.2
121.06502	1.1
121.10117	36.5
123.08022	3.1
123.11681	13.6
131.08513	7.7
133.10098	19.2
135.08060	1.0
135.11661	36.7
137.09579	4.9
137.13228	5.0
139.11180	2.0
139.44051	0.8
143.08528	4.1
145.10110	13.0
147.11661	16.8
149.09601	3.5
149.13234	15.7
151.11165	5.4
157.10088	4.9
159.11636	15.3
161.09663	1.2
161.13176	9.9
163.11147	3.9
163.14760	11.0
165.16367	1.3
169.10110	1.1
171.11598	1.7
173.13196	7.4
175.14761	10.0
177.12738	4.1
177.16333	3.6
183.11655	1.3
184.40141	0.9
185.13216	2.0
187.14769	7.2
189.16344	8.0
191.14267	1.9
191.17886	12.1
193.15848	7.5
201.12680	7.2
201.16356	9.8
203.17896	5.9
205.15825	1.7
205.19600	1.2
207.17409	5.4
215.17894	5.8
217.15863	1.2
217.19522	1.4
219.17328	12.3
227.17931	1.2
229.19562	1.5
233.15446	1.4
233.19005	10.0
241.19516	1.0
245.18993	0.8
255.21124	1.5
257.22675	1.1
269.22382	1.2
281.39914	0.8
405.31467	1.0
423.36722	9.0
441.37515	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	441.3361
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03935	0.9
53.90190	0.6
55.05500	1.6
57.03427	0.9
57.07075	0.9
60.11789	0.7
64.33186	0.7
67.05478	4.5
69.03417	1.3
69.07060	3.7
74.75574	0.6
79.05477	6.4
81.07027	14.7
83.08602	0.9
85.06531	1.1
91.05475	3.3
92.08633	0.9
93.07013	10.6
95.04932	1.5
95.08578	16.1
97.06507	4.1
105.07021	17.3
107.08579	19.3
109.10139	8.5
111.08057	1.7
115.74606	0.8
117.06997	1.7
118.02654	0.7
119.08562	26.4
121.06470	1.8
121.10162	8.1
121.63767	0.8
123.08054	1.4
123.11694	3.6
125.05985	10.8
131.08522	8.4
133.10106	24.6
135.07982	3.4
135.11682	25.7
137.09622	1.1
140.47203	0.8
143.08563	3.1
145.10120	5.2
147.08052	3.5
147.11682	9.7
149.13249	5.0
151.11186	1.8
155.08556	1.5
157.10143	3.7
159.08058	6.0
159.11667	6.1
161.09602	14.2
161.13176	3.5
163.07478	1.8
163.14786	6.0
171.11656	4.8
173.09642	5.6
173.13257	14.2
175.14806	4.2
177.09081	3.4
177.12724	1.7
183.11673	1.5
185.13199	1.4
187.14784	1.4
189.16347	44.0
191.14284	3.9
191.17932	3.2
197.13210	5.3
201.12718	26.9
203.18108	0.8
205.15860	1.0
207.17398	55.5
213.16170	1.0
215.14282	55.8
217.15799	7.2
219.13754	30.0
221.19048	0.9
229.15826	1.9
231.17422	1.3
233.15300	24.1
243.17433	3.4
269.19016	3.7
282.30444	0.8
283.20230	1.1
326.36923	0.8
423.32385	18.0
441.33521	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	441.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93988	0.3
53.00297	0.8
53.03938	0.5
55.05503	9.9
57.03431	5.1
57.07063	1.6
59.04997	1.7
61.02905	0.6
67.05486	0.8
69.03413	15.7
69.07051	100.0
73.02886	0.5
73.41135	0.4
73.81167	0.3
75.04477	0.3
77.83223	0.3
81.03396	1.9
81.07014	0.6
83.08603	5.5
85.02886	14.0
85.10149	0.4
87.04453	7.8
91.05505	0.5
95.08555	0.4
97.02866	11.3
99.04467	0.7
107.10349	0.4
109.02855	0.9
111.11029	0.5
111.11697	33.7
115.03912	7.9
127.03899	2.2
129.12729	33.9
133.02873	1.3
133.04951	4.8
137.05910	0.7
145.04941	0.8
147.04396	1.8
147.13792	12.5
150.07744	0.5
159.15712	0.5
167.07016	0.5
168.69962	0.4
181.05101	0.4
185.42764	0.4
186.91254	0.4
193.04968	7.3
196.51097	0.4
198.36530	0.3
200.94069	0.4
237.32246	0.4
264.55618	0.4
352.76343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03932	1.7
54.36449	1.6
55.05502	11.5
57.07063	2.7
60.24841	1.7
67.05488	13.8
67.40526	1.7
69.07049	26.2
75.28255	1.6
79.05460	16.3
81.07035	45.4
83.08624	7.7
89.55132	1.8
91.05455	16.0
93.07021	51.7
95.04931	2.3
95.08585	70.5
97.06512	2.9
97.10124	3.6
105.07011	58.5
107.08583	77.4
109.06522	4.1
109.10141	33.3
111.08044	2.1
113.56277	1.9
117.06998	4.2
119.08557	100.0
121.10114	40.5
123.11717	14.5
128.51126	1.8
129.07013	3.0
131.08511	31.1
133.10109	61.0
133.11061	2.1
135.00800	1.8
135.08032	3.0
135.11647	29.0
137.13287	3.1
143.08563	9.9
145.10098	45.7
147.11684	39.0
149.13251	27.1
157.10062	16.7
159.08040	2.3
159.11650	32.4
161.13203	29.2
163.07520	2.8
163.11223	2.5
163.14795	30.3
169.10149	3.2
171.11670	14.5
173.13217	33.2
175.14787	31.0
177.12743	9.7
177.16351	4.6
179.14218	2.9
183.11606	6.9
185.13242	12.7
187.14789	34.8
189.16345	78.8
189.17909	3.3
191.14418	2.8
191.17943	7.2
193.15843	2.2
197.13106	1.9
199.14799	4.4
201.12759	12.0
201.16364	44.9
203.14323	12.6
203.17892	12.3
205.15895	2.9
207.17442	13.0
209.13156	3.2
211.14734	8.1
213.16466	3.4
215.17900	37.4
217.15860	7.6
219.13756	9.5
219.17415	1.9
225.16396	4.6
227.17900	10.3
229.15842	3.8
229.19481	22.3
239.17909	2.2
241.19579	2.5
243.17564	2.9
243.21059	2.4
247.16895	12.5
255.21039	3.0
259.20605	2.9
261.18387	20.8
269.18967	4.2
273.18503	3.4
275.20120	3.1
283.92688	1.9
355.22556	7.5
377.31970	12.1
387.30035	2.6
395.33044	13.1
405.31430	15.2
408.30069	9.1
423.32761	47.9
441.33539	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3358
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.59395	2.2
54.78161	2.0
55.01832	2.9
55.05493	24.2
57.07061	15.4
67.05487	40.0
69.07052	38.0
70.48969	2.4
71.04973	3.1
71.08624	2.8
78.26189	2.1
79.05466	27.4
81.07027	61.5
81.07470	3.3
83.03169	2.5
83.08598	8.7
85.06522	2.7
89.06025	3.1
91.05442	23.8
93.07015	58.3
95.04969	4.2
95.08578	95.9
97.06501	5.7
97.10136	5.2
105.07008	61.6
107.08570	100.0
109.06512	3.0
109.10141	81.1
111.08041	5.1
117.07007	5.6
119.08547	81.8
121.10106	64.7
121.10957	2.7
123.08012	5.7
123.11673	20.9
125.09559	3.6
129.07019	4.5
131.08534	22.9
133.10092	48.5
135.11659	50.9
137.09625	3.4
137.13196	4.3
143.08548	11.7
145.10062	46.6
147.11655	33.3
149.13226	28.3
156.09375	3.4
157.10117	32.8
159.11658	34.4
161.13211	31.3
163.14775	23.1
169.10126	4.6
171.11665	21.9
173.13181	23.8
175.14781	27.2
177.16403	10.4
179.14314	3.7
185.13190	11.9
187.14786	16.1
189.16254	25.1
191.14317	3.0
191.17883	22.7
197.13200	5.4
199.14764	13.3
201.16318	25.5
203.17950	10.2
205.19464	3.6
207.13734	26.8
213.16151	3.7
215.17801	26.7
217.19469	4.7
227.17899	42.9
229.19470	15.1
231.21101	3.1
241.19502	14.3
243.21053	4.6
247.16969	4.2
247.20427	4.2
253.19365	3.2
255.21103	10.2
257.22556	3.1
261.18515	5.8
271.20389	2.5
273.18430	40.8
281.22559	3.8
289.21707	2.7
305.31079	2.6
377.31775	4.0
395.32904	9.6
423.31366	18.3
423.36783	10.8
427.63818	2.5
441.32697	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28619	0.6
53.00299	1.0
55.05501	13.5
57.03426	13.0
57.07064	26.0
57.15891	0.6
59.04992	8.1
61.02884	0.7
67.05480	1.0
69.03413	33.8
69.07053	98.9
71.04975	1.1
71.08612	23.9
73.02888	1.4
73.06534	20.0
75.04482	1.3
81.03394	3.3
81.07027	1.7
83.08595	4.8
85.02889	32.5
85.10172	11.1
87.04438	17.3
91.05448	1.0
93.07026	0.8
97.02866	27.3
99.04428	1.5
109.02837	1.2
111.08053	1.1
111.11698	91.7
115.03906	16.3
127.03893	4.3
129.09048	1.7
129.12729	100.0
130.13042	0.7
133.04930	13.4
141.05540	0.8
145.02740	0.9
145.04990	3.1
147.04436	0.9
147.13789	15.0
156.55911	0.8
163.67355	0.7
177.05403	1.1
195.77081	0.7
208.03186	0.7
280.46182	0.8
309.19125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.6
53.03943	0.5
55.01862	0.6
55.05507	8.4
56.96561	0.4
57.03428	4.9
57.07072	2.8
59.04995	0.9
61.02914	0.8
61.79525	0.3
64.97180	0.3
67.05495	1.8
69.03419	19.3
69.07056	100.0
70.06577	0.4
71.08617	0.5
71.51839	0.3
72.05968	0.3
72.08111	0.4
73.02904	0.4
75.04454	0.7
79.05481	0.5
80.14767	0.4
80.24913	0.3
81.03414	0.9
81.07053	0.6
83.08601	6.9
85.02892	16.5
85.10176	2.1
86.59049	0.3
87.04450	8.3
93.07011	0.4
95.04985	0.4
95.08585	0.6
97.02872	13.5
99.04444	0.7
107.08599	0.5
109.02844	0.8
109.10184	0.5
111.04447	0.5
111.11703	36.2
115.03911	8.1
116.07058	0.5
121.06504	0.5
124.07568	0.3
127.03906	1.9
129.12737	42.0
130.30113	0.3
133.04958	5.9
135.17886	0.4
136.07553	3.4
138.09128	2.1
142.08719	0.4
145.04999	1.5
146.05997	2.0
147.04398	0.9
147.06320	0.9
147.13786	11.5
154.08638	2.5
162.03046	0.6
170.28053	0.4
174.05559	0.8
175.05902	0.6
177.05478	0.7
279.17017	0.9
280.10559	0.4
426.85083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35152	0.7
54.00185	0.9
55.01885	1.3
55.05491	1.4
56.20712	0.7
57.03431	1.8
58.99566	0.9
67.05506	3.6
69.03411	8.1
69.07056	100.0
71.04983	1.2
73.02891	0.8
75.02689	1.3
77.00626	1.2
79.05448	1.0
79.87412	0.7
81.03400	4.1
81.07034	4.4
83.04975	5.9
83.08575	1.1
83.46491	0.8
85.01147	0.8
85.02888	16.1
86.99015	1.5
91.05431	1.7
92.09260	1.2
93.07030	4.1
95.04942	4.3
97.02864	8.4
97.06493	0.9
98.97523	1.0
101.04209	13.0
105.00068	1.4
109.02884	3.5
111.08059	3.5
112.07595	12.3
116.06316	0.7
117.03418	1.0
123.07913	0.9
127.07526	3.3
129.03676	1.2
129.09076	3.5
135.04402	1.1
140.07048	34.9
142.06889	1.2
143.05205	0.9
145.02797	0.8
145.04953	1.3
147.04456	1.2
150.05472	0.8
152.03394	3.2
153.05533	0.9
155.27547	0.8
163.03848	4.7
170.06300	8.2
171.04739	3.2
172.04242	31.6
177.05493	1.2
179.54736	0.8
181.08542	1.8
182.08118	4.0
184.06117	1.3
196.64047	0.9
198.05873	1.7
199.04266	1.8
214.05345	1.9
216.06870	67.6
226.06972	1.2
243.11287	1.0
244.06203	1.0
258.07904	4.9
262.07437	34.9
286.07352	1.4
357.42868	0.9
378.12024	1.8
378.49765	0.9
406.11591	0.9
424.12836	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	441.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60972	0.1
52.02571	0.1
53.00286	0.3
53.03926	0.6
55.01853	0.2
55.05492	0.3
57.03182	0.1
57.03422	1.6
59.04715	0.2
59.04988	4.4
61.02906	0.5
63.03832	0.1
67.05475	0.2
69.03413	7.4
69.07054	1.1
70.03733	0.2
71.01316	0.1
71.04960	0.2
73.02892	0.2
75.04453	0.1
77.03848	0.1
78.34742	0.1
81.03395	3.3
81.07026	0.2
83.04944	0.5
83.08599	1.0
85.02888	6.5
86.03226	0.2
86.09673	0.2
87.03938	0.2
87.04451	4.5
88.04742	0.2
89.03883	0.3
91.05439	0.3
93.07033	0.2
95.04945	0.2
95.08588	0.6
97.02872	8.0
98.03184	0.3
99.04427	0.8
101.50843	0.2
105.03383	0.1
105.05471	0.7
105.07008	0.2
107.08549	0.2
109.02850	1.7
109.10139	0.1
111.08033	0.6
115.03904	2.9
116.04192	0.2
116.70619	0.1
117.03323	0.2
119.08530	0.2
120.08099	0.2
122.03627	0.5
122.05960	0.1
123.04361	0.2
124.07513	1.0
126.09169	0.2
127.03884	4.1
129.09099	2.1
130.09387	0.2
133.02821	19.8
133.04913	2.4
133.10098	0.2
134.03590	0.2
134.05290	0.2
135.62917	0.1
136.07542	0.6
137.05946	4.6
138.09117	0.5
145.04939	1.8
148.07536	0.1
149.05960	1.7
150.03088	0.6
151.03935	0.1
156.10152	0.3
161.02237	0.2
164.07014	1.0
165.05423	1.9
177.05382	0.3
178.02576	9.3
179.03325	1.5
182.08047	0.3
193.04927	100.0
194.05276	0.6
205.64047	0.1
231.08630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.1
53.00301	0.1
53.03934	0.4
55.01859	0.2
55.05500	0.3
57.03436	1.1
58.74652	0.1
59.04992	4.7
59.28488	0.2
60.94274	0.1
61.02907	0.3
67.80595	0.1
69.03067	0.3
69.03417	6.0
69.07049	0.6
70.03760	0.2
71.04958	0.4
73.02886	0.7
81.03392	2.9
81.07039	0.3
81.13151	0.1
83.04977	0.2
83.08585	0.4
84.08921	0.2
85.02887	5.8
86.09646	0.2
87.04458	4.5
89.03894	0.3
89.05988	0.1
90.70589	0.2
91.05462	0.3
95.08591	0.3
97.02256	0.3
97.02872	6.8
98.03152	0.2
99.04427	1.0
103.88878	0.2
105.05483	0.4
105.07024	0.2
109.02863	1.4
111.08071	0.3
111.11704	0.1
112.08340	0.2
115.03918	1.5
116.04231	0.2
122.03622	0.7
124.07558	1.0
126.09096	0.2
127.03886	3.7
129.09073	1.4
133.02829	19.8
133.04932	2.0
133.06496	0.2
135.04332	0.2
136.07545	0.3
137.05951	4.2
138.09160	0.6
145.04967	1.6
149.05948	1.8
150.03131	0.6
150.07538	0.2
164.07027	0.3
165.05455	2.7
178.02580	9.9
179.03418	0.8
193.04933	100.0
194.05302	0.3
231.08583	1.1
414.78293	0.2
423.21255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00650	3.2
55.01856	4.0
55.05495	17.6
57.03414	23.1
58.99548	6.2
59.00317	2.8
59.04984	4.2
61.88253	3.1
67.05482	33.4
68.05820	6.7
69.03413	62.7
69.06714	5.4
69.07051	100.0
69.77853	2.9
70.06573	4.9
71.04967	19.0
73.02894	4.2
76.02173	7.4
79.05470	14.2
81.03370	4.3
81.07018	15.3
83.04969	4.9
83.08577	8.9
85.02888	69.9
85.06530	7.7
87.04457	33.7
91.05444	23.5
92.08951	4.1
93.07011	14.6
95.08572	14.6
97.02858	53.5
97.06474	4.5
98.97543	4.9
99.04386	3.6
100.02177	7.9
107.08572	7.8
108.08083	3.6
109.02863	4.0
109.06466	5.9
109.10140	26.9
110.10500	4.3
111.08081	14.6
111.11700	36.8
115.03919	37.7
119.08529	4.5
121.10084	6.7
123.04477	3.7
124.19907	3.4
126.09064	4.3
127.03877	8.8
127.11149	4.7
129.09093	6.7
129.12717	31.9
133.04929	21.5
136.07550	7.6
137.09552	4.5
139.11162	8.8
145.04935	6.1
146.02658	6.7
147.04378	17.6
149.09686	3.9
163.03812	4.0
166.43900	3.8
185.03844	4.4
198.09155	4.8
199.13257	8.2
207.61221	3.9
213.10210	13.1
214.10651	6.8
241.09624	28.8
242.10020	19.4
243.11133	8.1
244.11615	4.6
258.12384	7.7
259.10669	15.4
260.11072	12.1
263.42279	4.6
285.12274	4.9
286.12518	6.9
301.11774	8.1
302.12195	5.7
317.13489	7.0
318.13803	8.7
363.12143	6.5
373.53976	4.0
405.12714	5.0
412.56369	4.0
422.13745	39.5
423.14029	56.5
441.11285	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.0
57.06813	1.9
57.07067	37.9
67.05485	4.9
67.71655	1.0
69.07041	7.2
71.08615	30.7
73.06525	7.7
74.74355	0.9
79.05444	1.6
81.07036	5.4
83.08595	7.5
85.10166	27.3
87.04458	2.3
89.06010	100.0
91.05475	1.4
93.07013	6.6
95.08578	6.5
97.10165	1.8
105.07016	5.2
106.07310	1.4
107.07029	2.0
107.08591	8.6
109.10143	4.5
110.10499	1.2
114.37453	1.2
117.09060	1.3
119.08546	8.3
120.08941	1.2
121.10117	4.8
122.91742	1.2
123.11637	2.0
131.08556	1.9
133.08563	28.2
133.10089	2.3
135.11662	4.1
145.10114	4.8
147.11650	1.7
149.09546	1.3
159.11649	1.4
161.13205	1.4
171.11737	1.2
175.14833	1.1
177.11168	10.8
183.11650	1.2
221.13699	1.3
229.21571	7.8
273.24100	2.0
283.17389	15.0
415.58884	1.3
422.30951	2.0
423.27841	2.0
423.33041	38.0
439.31738	2.3
440.31802	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.0
57.06813	1.9
57.07067	37.9
67.05485	4.9
67.71655	1.0
69.07041	7.2
71.08615	30.7
73.06525	7.7
74.74355	0.9
79.05444	1.6
81.07036	5.4
83.08595	7.5
85.10166	27.3
87.04458	2.3
89.06010	100.0
91.05475	1.4
93.07013	6.6
95.08578	6.5
97.10165	1.8
105.07016	5.2
106.07310	1.4
107.07029	2.0
107.08591	8.6
109.10143	4.5
110.10499	1.2
114.37453	1.2
117.09060	1.3
119.08546	8.3
120.08941	1.2
121.10117	4.8
122.91742	1.2
123.11637	2.0
131.08556	1.9
133.08563	28.2
133.10089	2.3
135.11662	4.1
145.10114	4.8
147.11650	1.7
149.09546	1.3
159.11649	1.4
161.13205	1.4
171.11737	1.2
175.14833	1.1
177.11168	10.8
183.11650	1.2
221.13699	1.3
229.21571	7.8
273.24100	2.0
283.17389	15.0
415.58884	1.3
422.30951	2.0
423.27841	2.0
423.33041	38.0
439.31738	2.3
440.31802	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.2
55.01851	1.1
55.05505	15.5
57.03183	1.7
57.03429	32.2
57.07056	1.5
59.04975	7.5
60.04505	1.2
61.02902	2.7
65.65391	1.1
67.05473	5.8
69.03414	97.5
69.07053	64.5
73.02875	4.4
75.04449	5.4
79.05473	1.3
81.03387	6.9
81.07028	6.4
83.04955	1.7
85.02888	100.0
87.04450	54.6
91.05446	1.9
92.09052	1.3
93.07009	4.3
95.04942	1.7
97.02869	70.3
99.04483	4.1
103.03967	1.6
105.01058	1.1
105.07008	1.8
107.08617	1.5
109.02861	6.2
109.10124	1.2
111.04408	2.0
111.11710	13.9
115.03908	62.5
119.08540	2.0
121.10078	1.2
123.04308	1.2
127.03892	11.8
133.04941	58.5
145.04912	10.2
148.07626	1.2
150.07578	6.5
153.12788	1.3
156.84212	1.1
162.85295	1.0
163.03883	1.3
163.05965	6.5
225.14731	1.7
243.15767	2.3
259.07852	1.5
277.09180	2.3
295.10135	5.3
405.74225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	3.0
55.01869	1.8
55.05505	13.7
57.03428	40.6
57.07056	2.0
59.05006	9.7
60.04504	1.4
61.02911	2.3
67.05492	3.0
69.03414	100.0
69.07052	83.6
75.04465	7.9
81.03397	2.1
81.07028	6.9
83.04960	5.7
83.08582	13.4
85.02887	78.0
85.10151	1.8
87.04453	58.7
91.05458	5.3
93.07009	6.6
95.04950	2.3
95.08600	6.1
97.02869	73.4
97.06530	1.4
99.04412	1.9
100.07616	5.1
100.11242	15.1
105.07021	5.3
107.04974	1.6
107.08581	5.1
109.02876	3.2
109.06515	1.4
109.10119	5.2
111.04414	6.2
111.11707	31.2
114.09136	5.5
115.03908	59.8
119.08551	6.5
120.08015	1.4
124.07552	24.4
126.15076	1.9
127.03885	8.2
128.06998	1.5
129.06998	1.6
129.12741	38.5
133.04941	52.0
133.10129	2.6
135.11647	2.3
142.08600	3.1
142.12251	5.2
145.04958	6.3
146.05984	7.0
147.11699	1.7
148.07553	15.2
150.07594	8.7
159.11649	1.8
163.03833	1.9
163.06047	1.7
170.11728	1.6
181.30092	1.4
182.15361	8.0
210.14851	7.8
269.12784	1.9
271.14288	5.5
291.17896	2.0
295.10217	5.6
297.12234	2.3
349.90167	1.5
351.19382	1.9
369.20511	2.8
396.22839	2.2
422.20624	2.6
440.31339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.8
53.03938	1.1
55.01868	1.6
55.05496	9.7
56.96075	0.9
57.03428	32.1
57.07055	1.4
58.13605	0.7
59.04990	7.5
60.04502	1.1
61.02914	2.0
67.05473	1.4
68.72372	0.8
69.03412	84.9
69.07051	100.0
70.70016	0.8
71.01298	1.1
71.04964	1.8
73.02901	3.6
73.25558	0.8
75.04457	5.6
75.58648	0.8
79.05483	1.1
81.03392	6.8
81.07021	5.0
82.07825	0.9
83.04969	1.7
83.08605	1.8
85.02889	74.3
85.06535	1.2
87.04450	53.3
90.13496	1.0
91.05428	1.7
93.07021	4.1
95.08590	4.2
97.02870	61.4
97.06487	1.0
99.04411	3.6
99.08047	1.4
103.03900	1.7
105.07020	1.6
107.08586	5.0
109.02869	5.5
109.06477	2.0
109.10139	3.9
111.04459	1.7
111.08067	10.0
111.11702	28.0
111.12466	1.1
114.81404	0.8
115.03908	50.0
117.07011	1.0
119.08553	3.9
121.06549	0.9
121.10126	1.4
123.11696	1.9
127.03895	7.6
127.11162	2.1
129.12718	21.6
129.22360	1.0
131.08519	1.3
133.04942	39.8
133.10069	1.8
135.11667	1.3
137.09572	1.7
139.07831	0.8
139.11160	3.8
141.12689	4.8
145.04909	6.3
150.07591	6.2
151.11151	1.0
153.17761	0.9
159.11691	1.0
163.05981	1.1
165.12761	1.8
169.04915	1.8
169.12222	1.1
176.06723	0.9
177.12595	0.9
207.13881	2.1
219.13766	1.7
225.14951	1.2
237.14885	3.7
241.06906	1.0
244.53514	1.1
252.29839	0.9
255.15883	4.2
259.08047	2.0
273.16931	4.0
277.09283	1.7
291.17801	9.2
295.10257	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.1
55.05499	11.8
57.03421	38.5
59.04984	8.2
60.04517	2.2
61.02906	3.2
67.05489	53.9
68.05818	3.7
69.03410	100.0
69.07053	20.7
70.06571	2.3
71.04976	18.6
73.02883	3.2
75.04472	7.1
76.72515	1.8
79.05497	2.9
81.03384	8.3
81.07040	14.8
81.07457	1.9
83.04953	4.2
83.08571	14.3
85.02365	2.9
85.02883	78.9
85.06516	14.0
86.03219	1.6
87.04443	55.5
88.44900	1.6
89.50394	1.4
91.05450	3.1
92.09281	2.5
93.07009	19.9
94.43521	1.6
95.04949	6.6
95.08577	9.8
96.95155	1.7
97.02862	60.7
97.06505	7.4
98.97563	1.8
99.04435	3.5
101.05993	6.5
102.65536	1.7
105.07022	3.4
107.08562	7.9
109.02831	4.2
109.06526	9.8
109.10141	39.1
110.10455	16.5
111.04455	2.8
111.08057	76.9
112.54771	1.8
113.05962	1.8
113.09633	11.9
115.03897	48.9
115.04639	3.1
119.08543	2.4
121.06512	2.9
121.10118	8.3
123.08057	2.9
125.05981	3.0
125.09621	2.7
127.03910	8.9
127.07549	21.0
127.11177	15.0
128.11496	2.7
129.09079	97.9
131.04922	3.0
132.59673	1.8
133.04942	36.3
135.08020	2.3
135.11678	7.6
137.05957	2.1
137.09613	2.6
139.07555	9.0
139.11145	17.4
145.04944	8.7
145.10062	2.9
145.12267	3.3
150.07599	9.9
151.03870	2.1
151.07552	3.3
151.11209	2.2
153.09113	5.8
163.07538	1.9
163.11104	7.2
167.07091	2.0
177.05554	2.2
181.12207	12.7
195.10202	1.8
199.13252	48.2
215.07277	2.6
241.07117	2.3
243.12254	8.0
243.15910	9.0
255.12161	6.8
261.13419	8.5
273.13242	13.3
291.14325	34.0
301.11700	2.5
364.30316	2.2
370.51035	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	440.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.8
53.03944	1.1
54.54871	0.7
55.01867	1.1
55.05506	6.0
55.66273	0.6
57.03429	34.1
59.04990	8.9
60.04510	3.6
61.02917	1.7
61.76077	0.7
69.03417	100.0
69.07052	8.7
71.04980	1.2
73.02891	1.4
75.04458	3.5
76.22305	0.7
76.55877	0.8
81.03398	3.7
81.54496	0.7
83.04961	5.1
83.08609	21.7
85.02890	72.5
87.04451	55.3
87.08096	4.2
91.05452	0.8
93.07075	0.8
95.04961	1.4
95.08597	0.8
97.02874	68.7
99.04419	3.7
103.03871	0.8
107.08595	1.2
109.02863	4.6
111.08071	18.0
115.03911	64.2
117.03346	3.6
121.02843	5.5
123.04443	3.1
127.03884	7.6
129.09102	47.5
133.02850	1.7
133.04945	62.1
133.92651	0.8
135.04352	0.8
136.07570	3.8
139.03896	1.3
144.06505	0.8
145.02814	8.1
145.04930	6.3
146.06020	1.2
148.07545	0.9
149.05998	1.6
150.07599	4.4
151.03856	1.1
154.08588	4.3
162.07547	0.8
163.06015	1.4
177.05397	10.0
179.03360	22.5
193.85498	0.7
229.13356	0.8
241.07039	1.3
243.12265	2.9
259.08090	3.3
273.13409	5.2
277.09216	1.3
295.10233	3.0
353.01984	0.9
381.92191	1.0
439.24127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81539	3.0
55.05500	24.1
57.07061	5.4
57.43600	3.5
67.05489	18.8
69.03416	7.7
69.07050	34.3
78.46276	3.8
79.05464	27.9
81.07040	58.8
83.08586	8.6
85.06503	3.1
91.05467	24.7
93.07017	54.3
95.04927	3.4
95.08588	100.0
97.06532	8.8
97.10155	5.0
105.07012	70.8
107.08574	96.6
109.06501	6.8
109.10139	49.2
113.47600	3.4
117.07031	7.9
119.08553	99.3
121.06506	7.2
121.10127	62.9
123.11696	23.8
125.09574	4.8
129.06964	5.5
130.07736	4.5
131.08551	31.4
133.10078	61.0
135.08005	4.2
135.11678	58.2
137.13268	5.2
143.08511	17.0
145.10103	37.0
147.11668	55.4
149.09621	4.1
149.13271	20.6
155.08678	3.9
156.09367	3.9
157.10088	24.9
158.84096	3.2
159.11674	48.1
161.09647	4.9
161.13240	35.5
163.14810	15.5
170.98882	4.4
171.11662	18.8
173.13190	32.2
175.11172	4.2
175.14771	19.0
177.16357	6.0
183.11748	6.3
185.13383	10.4
187.14792	19.2
189.12794	5.0
189.16330	48.5
191.14259	5.4
191.17888	13.9
195.11710	5.8
197.13313	5.1
199.14835	17.3
201.16391	17.3
203.17915	20.6
207.17422	37.6
211.14848	4.3
213.16368	13.7
215.17966	13.9
217.15881	5.9
217.19505	4.3
231.17485	8.1
305.18286	3.5
343.89743	4.1
351.49094	3.7
421.35248	30.6
439.31738	26.2
439.35809	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05507	20.4
55.57062	1.9
57.07055	10.3
63.54865	1.8
67.05492	30.9
69.06776	1.8
69.07063	34.0
70.16992	1.9
79.05474	23.0
81.07042	65.1
83.04958	4.6
83.08598	8.8
91.05456	32.5
93.07026	55.9
95.04955	9.0
95.08004	4.4
95.08585	100.0
97.06510	4.0
97.10129	4.4
105.07010	48.3
107.08582	77.9
109.06494	5.4
109.10155	51.3
110.80808	2.0
111.08043	3.3
116.98635	2.8
117.07010	11.5
119.08565	71.0
121.06475	3.3
121.10129	59.5
123.08018	10.5
123.11682	23.8
128.06201	2.9
129.06975	9.6
130.07755	2.3
131.08543	35.5
133.10118	51.6
135.08047	3.9
135.11673	47.0
137.13203	24.4
141.07004	3.3
142.07765	8.0
143.08537	23.6
145.10106	46.9
147.08008	2.7
147.11679	28.4
149.13257	25.7
155.08501	3.9
156.09341	7.7
157.10118	38.5
158.10861	3.5
159.11676	39.9
161.09616	4.1
161.13222	28.6
163.14786	17.7
169.10056	11.1
171.11638	27.2
173.09563	4.5
173.13237	33.9
175.11136	4.7
175.14783	23.5
177.16368	10.2
181.12111	2.6
183.11646	10.3
183.98911	2.3
185.13231	22.4
187.14748	23.5
189.12727	3.7
189.16335	18.6
191.17889	11.9
197.13181	10.5
199.14777	21.5
201.12718	4.3
201.16403	15.2
203.14230	9.4
203.17885	11.5
205.12167	5.2
207.11401	2.6
207.17465	4.7
209.13316	3.5
211.14783	4.9
213.12708	2.6
213.16411	12.8
215.17836	15.1
217.12173	5.0
217.15863	8.5
217.19441	4.2
219.17358	4.5
223.14723	3.5
225.16304	4.2
227.17972	10.3
229.19478	9.2
231.13768	4.6
231.17361	9.6
239.17804	4.6
241.19435	3.1
243.17360	3.3
243.21136	3.9
245.18918	2.6
247.20464	3.4
251.17822	2.9
253.19485	3.3
255.20967	3.4
257.22238	2.4
259.20511	2.5
321.60153	2.4
375.30478	2.3
377.54572	2.7
421.30515	12.3
421.34741	15.6
439.31067	19.2
439.36191	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.6
53.03923	0.8
55.01854	0.6
55.05507	10.7
56.96546	0.9
57.03416	2.4
57.07041	2.9
60.22282	0.5
64.06274	0.6
67.05494	18.0
69.03410	1.0
69.06726	0.7
69.07054	15.9
71.04985	0.8
77.10867	0.6
79.05473	13.9
81.07035	36.7
83.04933	3.5
83.08600	5.7
85.06503	4.2
85.84404	0.5
91.04963	0.8
91.05455	15.1
92.08745	0.8
93.07020	32.8
95.04906	2.9
95.08579	46.4
96.08935	0.9
97.02840	0.9
97.06508	12.7
97.10133	1.3
98.97536	2.6
99.08073	0.8
103.92395	0.6
105.07011	40.8
107.08574	50.2
109.06498	1.5
109.10139	43.4
111.08047	6.0
116.98568	1.1
117.06982	2.8
119.08551	46.1
121.06418	1.3
121.10117	28.8
123.07985	3.3
123.11694	13.1
125.09581	0.9
129.06918	1.1
131.08527	11.8
133.10104	25.6
135.07993	1.5
135.10672	0.8
135.11662	23.5
137.09512	0.9
137.13193	3.8
142.23895	0.7
143.08539	4.8
145.06491	0.8
145.10101	12.7
147.03081	0.8
147.07997	3.8
147.11661	23.8
149.01137	1.0
149.09561	0.9
149.13210	7.7
151.11096	1.2
155.08452	0.7
156.03516	1.2
156.09274	1.2
157.10098	6.9
158.10748	1.0
158.99571	0.7
159.08037	1.0
159.11659	12.2
161.05882	0.7
161.09517	4.1
161.13220	30.7
163.14777	7.1
165.05397	0.8
169.10135	1.1
170.10829	0.8
171.11627	5.9
173.13152	4.1
174.13666	0.8
175.11081	3.6
175.13397	0.6
175.14780	10.7
177.00537	0.8
177.16362	3.5
179.14319	0.7
180.89778	0.8
181.10008	0.7
183.11638	1.1
185.13113	3.4
187.14775	6.4
189.12675	1.3
189.16331	7.9
191.14159	1.1
191.17894	3.0
193.15863	0.9
195.11783	0.6
199.14792	1.1
201.16351	16.3
203.10651	6.0
203.14322	1.2
203.17961	5.0
205.10587	0.7
205.12216	10.5
207.17403	2.7
213.16367	2.1
215.17825	2.4
217.12199	17.8
217.17558	1.0
217.19453	18.1
219.01657	0.6
219.17142	0.7
226.13512	0.7
231.13644	2.3
231.17426	4.3
249.18436	40.1
260.44131	0.8
279.03561	0.8
282.75604	0.7
285.18265	0.7
358.16229	3.6
358.66519	1.1
396.36261	0.6
402.94562	0.6
421.30573	1.0
439.18921	3.2
439.31711	100.0
439.68817	0.7
440.32159	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03501	1.5
55.05497	16.1
57.07050	8.1
58.78634	1.4
67.05482	28.3
68.70657	1.7
69.07047	23.7
74.17017	1.5
75.77255	1.4
77.16182	1.5
78.11441	1.5
79.05464	13.3
81.07031	55.7
81.45583	1.7
83.08598	10.5
85.06558	1.7
91.05437	15.3
92.08670	2.0
93.07013	39.3
95.04905	1.7
95.08574	100.0
96.08943	1.7
97.06523	3.4
105.06337	3.2
105.07003	40.3
106.19589	1.5
107.08567	51.4
109.06493	2.2
109.10124	39.5
117.07003	7.9
119.08549	56.4
121.06467	3.2
121.10109	41.0
123.08074	2.1
123.11677	18.6
129.06969	3.1
131.08542	15.6
133.10104	34.2
135.08041	2.2
135.11629	26.5
135.12346	1.6
137.13232	23.7
142.07727	3.2
143.08577	13.8
144.09386	2.3
145.10081	26.5
147.11659	36.2
149.13232	11.2
156.09366	3.4
157.10095	15.4
159.08054	2.0
159.11626	25.5
160.12431	1.7
161.13206	20.1
163.14807	10.2
163.22450	1.9
163.66185	1.8
169.10074	4.5
170.10861	2.5
171.11636	13.5
173.13254	18.9
175.11188	2.7
175.14758	9.5
177.16354	7.4
182.10765	2.4
183.11635	10.2
185.13220	7.0
187.14825	14.3
189.16330	18.9
191.17871	12.5
195.11630	2.2
197.13219	7.8
199.14822	9.4
201.12584	2.3
201.16336	11.0
203.14308	2.4
203.17960	12.5
211.14784	2.5
213.16374	2.7
217.12328	6.3
217.19522	2.3
225.16269	3.6
239.17856	3.0
243.17432	2.6
281.22461	1.9
325.21878	2.2
393.35080	4.2
395.33154	4.1
403.33466	2.5
411.36060	4.4
421.30197	6.3
421.35159	4.2
439.23993	3.4
439.31827	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.7
55.05505	7.4
55.72884	0.6
57.07068	7.5
67.05489	20.7
69.07049	13.5
71.08605	1.2
79.05479	9.0
81.07036	78.3
83.08598	6.2
89.03804	0.7
91.05453	3.7
93.07022	11.5
95.08581	100.0
97.10137	3.1
102.17004	0.6
102.39716	0.6
105.07017	9.2
107.08582	13.0
109.06416	0.7
109.10142	33.0
111.11722	0.9
114.36760	0.6
117.07000	1.4
119.08566	10.8
121.10125	8.0
123.11677	25.8
129.06967	0.7
131.08536	7.4
133.10133	6.6
135.11685	6.9
137.12173	1.5
137.13229	42.4
137.82516	0.7
142.07709	0.9
143.08560	4.5
145.10112	9.2
147.11617	3.0
149.13220	3.9
151.14764	2.2
156.09367	0.6
157.10100	2.4
159.11615	5.1
161.13211	4.0
163.14818	0.9
171.11661	5.3
173.13287	5.2
175.14818	4.9
179.17824	6.9
185.13205	4.0
187.13342	0.6
187.14700	4.7
189.16313	0.8
191.17886	1.4
199.14738	5.3
201.16321	5.5
203.17908	1.0
213.16313	8.5
215.17886	6.2
219.13835	0.8
227.17886	3.7
241.19508	4.7
243.20937	5.2
245.15260	0.8
255.21069	3.1
259.16882	4.9
269.22653	2.6
287.20007	1.1
289.21600	0.9
301.21411	0.9
315.23630	0.7
393.35135	13.1
421.34857	0.6
439.35715	11.9
463.42679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56987	1.5
55.05501	20.5
57.07081	5.3
63.73138	1.4
67.05496	20.8
69.07057	29.3
69.11003	1.4
73.30356	1.5
73.86267	1.5
79.05476	13.4
81.07034	47.6
83.08591	14.3
89.06002	10.2
91.05453	14.0
92.09132	2.2
93.07021	48.6
95.08580	100.0
97.10139	7.3
105.07010	36.9
106.24687	1.6
107.08569	81.7
107.09295	3.2
109.09402	1.7
109.10144	62.5
119.08557	75.0
121.10116	70.9
123.11659	25.1
125.09608	2.0
131.08531	6.7
133.08591	3.5
133.10103	60.7
135.11664	45.1
137.13219	10.0
144.90729	1.6
145.10133	14.2
147.11668	51.0
149.13235	31.2
153.09073	13.0
159.11638	14.2
161.13196	22.8
162.12526	1.8
163.14789	21.4
167.10637	3.7
171.11722	1.7
173.13257	3.4
175.14786	17.5
177.09064	2.1
177.16364	9.4
187.14789	6.4
189.16344	68.0
191.17909	87.7
201.16287	17.3
203.15997	3.0
203.17905	90.1
205.19511	29.8
215.17914	12.2
217.15840	3.1
217.19525	8.6
221.18999	6.3
229.19554	2.7
231.21088	2.0
235.16862	3.5
239.14934	2.3
241.19662	1.6
245.22458	2.6
247.16893	9.6
249.18446	21.5
290.37677	1.8
376.64838	1.9
383.80426	1.6
393.35086	7.1
401.35330	1.9
439.35663	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3203
Annotation	Salacenonal
Peak:m/z	Relative Intensity
51.56269	2.2
52.79696	2.4
55.05500	15.5
57.07058	3.7
67.05479	32.0
69.07058	26.2
75.34576	2.6
79.05472	27.4
81.07030	56.6
81.46117	2.4
82.59267	2.3
83.04920	3.8
83.08607	6.1
90.87086	2.6
91.05448	16.8
93.07021	57.0
95.04956	4.6
95.08583	81.3
96.08942	5.4
97.10162	3.0
101.96479	3.1
105.07014	42.0
107.08575	82.6
108.08893	3.2
109.06464	3.7
109.10140	48.3
117.06999	10.9
119.08561	72.4
120.08922	3.2
121.06488	5.3
121.10118	54.7
123.11659	22.3
129.07013	2.9
131.08545	22.2
132.08839	3.0
133.10086	47.9
134.10388	2.9
135.11684	52.0
137.13214	12.0
143.08521	15.5
144.09305	2.6
145.10101	55.1
147.11699	34.3
149.09572	3.8
149.13245	15.3
152.05327	2.7
155.08583	5.0
156.09283	3.2
157.10097	30.8
158.10597	2.8
159.11676	32.4
161.09650	3.3
161.13283	25.5
163.14726	2.8
167.28305	2.7
169.10092	16.0
170.10683	3.0
171.11656	27.9
173.13211	33.2
175.14807	14.4
183.11670	19.4
185.13205	22.6
187.14725	24.7
189.16338	11.4
190.16589	3.9
191.14310	3.2
195.11722	4.2
197.13223	13.9
199.14813	16.9
201.16315	14.5
203.18016	3.8
209.13232	13.0
211.14847	12.1
213.16394	11.2
215.17892	12.0
217.12206	5.4
223.14807	5.4
225.16370	17.4
227.17905	14.3
229.19467	19.3
237.16406	5.0
239.17917	15.0
240.18092	3.8
241.19360	15.9
243.17357	3.5
243.20982	6.5
253.19547	11.5
255.20935	3.1
265.19394	3.7
267.21130	3.3
279.21048	5.7
281.19373	3.3
281.22687	4.7
285.18555	4.1
287.19983	15.0
296.24707	3.8
319.24020	4.0
339.51828	3.2
348.62186	2.7
362.03577	2.9
363.30640	2.9
375.30466	39.0
377.32034	21.9
381.31406	12.6
393.31241	33.6
395.32834	5.1
403.30020	20.0
411.32526	4.6
421.30865	100.0
438.34576	5.8
439.31693	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
54.81361	1.9
55.05506	21.2
57.03420	2.1
57.07065	8.7
63.36709	1.8
64.32951	1.9
67.05247	1.6
67.05500	27.0
69.07053	24.5
79.05476	19.4
81.07040	53.1
83.08599	10.4
85.87515	1.7
88.16960	2.2
91.05459	21.9
93.07029	48.5
94.84731	1.9
95.04955	3.1
95.08582	82.6
97.10143	10.1
99.18036	2.0
105.07007	49.1
107.08580	100.0
108.15820	2.1
109.06518	2.4
109.10138	49.0
111.08057	8.3
117.06999	13.9
119.08569	83.3
121.10130	46.2
123.08037	8.6
123.11676	17.1
129.06989	12.8
131.08545	31.1
133.10112	45.4
135.07964	2.3
135.11668	41.8
137.13275	4.4
142.07732	2.4
143.08545	16.6
144.09364	2.8
145.10078	41.1
147.11673	38.5
149.09602	2.5
149.13222	9.9
151.11145	2.9
155.08588	4.8
157.10106	27.9
158.10895	2.9
159.11684	30.9
161.13225	62.5
163.14804	12.0
165.12749	2.8
166.91901	2.0
169.10072	11.6
170.10976	2.9
171.11681	22.3
173.13234	25.3
175.14828	9.3
177.16402	2.9
179.14276	38.4
181.10031	2.6
183.11664	10.3
185.13225	26.1
187.14778	22.0
187.74678	1.9
189.16374	15.8
191.14247	8.1
191.17915	11.2
195.11667	10.1
197.13231	13.7
199.14745	11.0
201.16391	12.9
203.17975	15.7
209.13200	3.0
211.14856	7.8
213.16399	10.4
215.14244	2.4
215.17897	11.9
217.12245	3.6
217.19295	2.2
223.14873	4.4
225.16394	8.5
227.17950	4.0
227.20009	4.1
228.20547	2.4
231.13736	14.1
239.17969	3.8
241.19560	9.4
251.17845	3.1
253.19504	3.5
279.20978	2.5
281.22293	3.0
304.21960	2.2
319.24271	2.7
351.22842	2.2
362.29532	3.7
375.30438	5.0
377.31940	11.4
393.31543	5.0
403.29581	3.7
421.30850	79.4
439.31882	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	1.6
57.07040	0.4
59.04987	0.4
67.05484	2.9
69.07056	2.4
79.05456	1.3
81.07025	3.9
83.08578	0.7
85.06510	0.4
91.05441	2.2
93.07018	5.3
95.08015	0.4
95.08580	7.5
97.06520	2.3
97.10139	0.5
105.07024	3.2
107.07976	0.4
107.08595	6.8
108.16911	0.3
109.06492	0.5
109.10130	3.7
114.13346	0.3
119.08566	4.5
121.10127	4.4
123.11666	2.2
131.08533	1.4
133.10078	2.3
133.46631	0.3
135.08063	1.1
135.11673	7.9
137.13138	0.4
143.08511	0.8
145.10066	2.2
147.08038	2.5
147.09029	0.3
147.11646	1.7
149.02313	0.8
149.05972	0.7
149.09596	2.3
149.13208	0.8
156.09291	0.8
157.10074	1.9
158.10907	0.3
159.08043	1.3
159.11661	0.5
160.08836	0.7
161.05946	0.7
161.09554	2.1
161.13190	0.8
163.07492	1.3
163.11116	0.4
163.14792	1.3
165.05460	5.3
169.10088	0.4
171.07954	0.4
171.11664	3.1
173.09634	2.8
173.13234	1.4
174.10370	2.6
175.07536	7.1
175.11137	16.3
175.14771	0.8
185.13301	0.6
187.07527	0.4
187.11205	0.4
187.14664	0.5
189.09109	1.3
189.12711	11.3
189.16347	0.7
191.17935	3.1
193.04919	0.7
194.05260	0.5
197.13412	0.4
199.11148	1.7
203.14320	2.6
205.12198	0.6
217.12206	100.0
217.19312	1.2
231.13760	15.0
243.13748	0.8
257.15274	0.4
274.87796	0.4
285.18420	0.4
287.19965	3.3
357.23886	0.6
369.24100	4.7
421.30939	5.0
439.32016	30.5
440.32718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72244	0.6
54.81515	0.6
55.01858	0.6
55.05505	7.1
55.84349	0.6
57.03210	0.6
57.03427	9.8
58.20115	0.6
59.04978	1.7
60.73180	0.6
61.02913	1.2
63.17480	0.6
66.64224	0.8
67.05492	60.2
69.03415	31.9
69.07047	4.4
70.06569	0.7
71.04973	16.1
73.02903	1.6
75.04460	1.2
75.79072	0.6
79.05465	2.4
81.03378	3.3
81.07035	15.1
83.04970	1.4
83.08619	8.6
85.02892	30.3
85.06526	8.1
86.48756	0.7
87.04455	17.3
91.05470	1.1
93.07014	2.8
95.04938	1.3
95.08584	3.6
97.02871	26.7
97.06505	0.7
99.04435	2.9
101.02306	0.7
105.07030	1.1
107.08562	4.4
109.02871	1.7
109.06454	0.8
109.10142	100.0
111.04429	1.5
111.08047	1.3
115.03911	17.6
119.08559	0.9
121.10072	1.0
125.09566	7.0
126.09120	3.8
127.03889	3.8
127.11169	25.9
129.86086	0.7
132.96448	0.8
133.04961	12.2
135.11659	0.7
136.07523	3.2
137.05945	1.0
145.04955	3.9
145.10057	0.9
145.12234	1.6
147.08083	1.0
163.06030	1.0
223.13234	2.8
241.14340	1.0
259.15302	1.1
277.09067	0.9
277.11865	0.9
277.15866	0.8
289.04053	0.6
289.16492	0.9
314.55539	0.8
348.49933	0.8
359.96198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05496	4.7
55.08847	0.6
57.03429	7.5
58.27952	0.6
59.04976	1.3
61.02912	1.4
63.68295	0.7
65.03920	0.6
67.05491	74.3
68.45607	0.5
69.03414	19.7
69.07050	1.5
70.06562	1.0
71.04969	9.7
73.02897	2.5
75.04466	0.6
79.05474	1.2
81.03398	1.3
81.07030	11.6
83.02785	0.6
83.04956	1.0
83.08592	5.2
85.02892	18.5
85.06520	4.8
87.04456	9.4
91.05505	1.3
93.07009	1.4
94.29069	0.6
95.04951	1.1
95.08601	4.8
97.02859	15.2
98.11487	0.6
101.05989	0.7
103.03975	0.9
105.07004	1.3
107.04915	0.8
107.08568	3.2
109.02863	1.3
109.06506	0.9
109.10139	100.0
111.04444	0.9
111.08041	1.1
114.57085	0.6
115.03889	7.5
119.08603	0.7
121.10103	1.3
123.08059	1.3
124.53942	0.6
125.09621	3.4
127.03887	2.5
127.11165	23.1
129.09039	0.7
133.04951	6.2
133.10167	0.6
136.07567	1.0
141.05609	0.5
141.09172	0.7
145.02882	1.1
145.04953	2.9
145.10071	0.8
145.12225	1.5
152.06952	0.7
175.11121	0.6
177.05498	1.3
189.05688	0.8
223.13260	1.3
259.14615	0.7
277.12686	0.7
295.10352	0.7
317.08466	0.9
439.11948	3.1
439.20874	0.8
439.63257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07370	0.5
61.02916	0.6
69.03400	2.1
69.07050	29.4
73.06523	2.8
75.33595	0.4
79.05475	0.7
81.07040	8.1
85.02885	4.8
85.06521	10.7
86.09273	0.6
90.98206	0.5
97.02855	0.9
97.06503	37.0
109.06510	5.6
115.07544	100.0
127.03838	0.9
127.07529	12.8
129.05444	0.6
140.55588	0.5
143.07028	1.9
144.07396	0.5
145.08571	45.7
186.33904	0.5
274.89856	0.6
307.13821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80163	0.4
52.70066	0.4
57.03402	0.4
57.07066	58.7
58.57959	0.4
61.02957	0.5
69.03398	2.5
69.07063	3.6
72.08099	0.7
72.28014	0.4
76.55949	0.6
79.05465	5.5
81.03370	1.0
81.07035	28.4
85.02892	7.4
85.06527	30.2
86.09659	0.4
87.04464	0.5
89.03871	0.6
90.00301	0.4
93.65417	0.5
95.04854	0.5
97.02861	1.1
97.06505	3.9
99.08077	0.9
102.58560	0.5
109.02829	0.9
109.06499	26.4
114.28725	0.5
115.07541	9.9
125.05974	0.9
127.07526	100.0
143.07016	3.2
144.07335	0.8
145.08569	58.5
163.03859	2.8
191.10655	0.5
202.07631	0.5
307.13861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.8
57.07067	97.1
67.05492	11.6
69.07056	20.7
71.08614	71.1
73.06521	2.0
74.80965	1.4
79.05473	6.0
81.07031	27.5
82.07381	3.7
83.08599	5.6
85.10165	38.9
87.23681	1.5
89.06013	100.0
91.05454	2.5
92.08942	7.7
93.07012	8.0
95.08585	40.8
96.08898	11.6
97.10146	2.3
99.94900	1.5
105.07021	12.2
107.07031	1.7
107.08554	12.4
108.08900	3.2
109.10155	11.5
110.10478	2.4
111.11703	1.9
113.13311	1.9
117.06986	2.4
118.98560	1.4
119.08584	15.2
120.08898	7.0
121.10102	11.6
122.10509	2.1
123.11698	6.5
131.08513	7.6
133.08588	42.0
133.10104	11.4
133.97433	1.7
135.11662	7.1
137.13214	2.4
145.10072	11.9
146.10414	5.9
147.11670	6.0
148.12076	3.2
157.10126	3.8
159.11665	5.7
161.13167	2.5
163.14774	3.3
164.14989	1.9
171.11705	2.2
172.11954	2.4
173.13242	6.7
175.14789	6.4
176.15118	6.1
177.11197	6.2
177.16391	2.5
183.11537	1.8
185.13193	3.4
187.14824	2.2
189.16351	3.3
201.16321	3.4
202.16757	2.5
204.18256	1.8
213.16243	2.7
214.16747	2.1
219.17023	1.7
225.16531	2.1
239.14830	38.2
239.17543	1.7
241.19467	2.5
242.19867	5.8
269.30762	1.5
271.26028	2.3
392.33813	6.7
421.35162	60.0
438.34399	34.2
439.32092	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	438.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94543	0.6
53.03940	0.6
55.01865	0.9
59.04995	0.6
60.14080	0.6
61.02913	0.9
69.03403	5.0
71.13183	0.6
72.08121	0.6
73.02905	0.9
79.05471	1.2
79.95045	0.6
80.78642	0.6
81.03399	0.6
81.07034	3.2
83.04961	0.8
85.02887	12.6
91.03909	0.8
91.05462	1.3
93.07029	0.8
95.04914	0.6
95.43166	0.6
97.02859	3.2
98.97549	0.8
99.04400	0.9
105.07040	0.8
107.04932	1.4
109.02842	0.8
109.06525	0.8
121.06506	1.5
123.08031	0.8
127.03769	1.3
127.07513	1.6
133.04944	0.6
135.04396	2.8
136.07494	0.7
137.05988	3.3
145.04936	0.9
147.04404	0.9
148.05162	9.3
149.05939	3.8
150.06781	0.8
151.07516	5.0
154.06236	4.2
162.06721	1.3
163.03830	4.5
163.07436	1.0
164.04240	0.8
164.08308	3.9
165.05469	2.8
165.09090	1.1
166.06250	3.2
167.07005	10.2
169.08623	1.5
176.08382	1.0
177.05431	13.3
179.07004	3.7
180.07735	4.7
181.08554	100.0
190.06256	1.1
191.06996	2.7
192.07777	43.1
193.04935	0.9
195.10257	4.9
196.07292	1.1
207.10042	1.0
208.07271	1.0
223.09612	18.7
225.11191	1.6
226.08354	2.6
229.06848	1.3
232.40727	0.6
241.10660	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26315	0.4
53.03919	0.7
55.01851	0.7
55.05482	0.4
57.03424	3.2
61.02910	2.3
61.97613	0.4
64.73494	0.4
66.35976	0.6
67.05480	0.6
69.03409	5.3
71.04974	1.0
73.02895	1.8
78.04681	0.9
78.94123	0.4
79.05467	1.9
81.03396	2.0
85.02890	12.2
87.04431	0.7
91.05453	1.8
92.08658	0.7
95.04957	2.1
97.02853	4.3
105.07008	0.8
106.04152	1.9
107.04984	1.0
107.35434	0.4
109.02847	1.1
109.06469	1.1
111.04346	0.6
115.03854	0.7
120.05708	0.6
121.06470	3.2
123.03634	0.5
123.04401	4.3
124.05176	0.8
126.43328	0.5
127.03863	2.1
127.07517	2.7
132.05696	0.5
133.06465	0.7
134.03589	1.0
135.04340	0.9
135.08028	1.0
136.05148	0.9
137.05939	4.5
138.03128	2.0
138.05432	2.1
138.06645	0.5
140.04660	4.9
141.05443	2.1
145.04947	0.8
148.05170	7.6
149.05956	2.2
150.06688	0.5
151.07529	4.0
152.04637	4.2
154.06215	5.8
155.03438	0.5
155.07005	5.2
161.05971	1.9
162.06761	0.6
163.07500	2.3
164.08301	3.7
165.05469	2.9
165.09155	0.6
166.06210	3.2
167.06998	100.0
169.08545	2.6
170.05710	27.2
176.08301	2.0
177.05421	14.0
179.06973	2.2
180.07805	4.0
181.08556	93.2
182.08817	0.5
183.06531	2.0
185.08173	0.6
188.15216	0.4
190.06204	1.9
191.07008	2.9
192.07776	43.9
193.04906	2.3
193.08319	0.8
195.10045	4.0
196.07353	0.7
207.10104	2.2
208.07188	1.9
214.05267	0.5
217.17278	0.5
223.09608	19.6
225.11133	4.2
226.08459	1.8
232.48898	0.5
234.98906	0.8
241.10657	45.9
259.11697	11.1
281.51157	0.5
357.42715	0.5
447.15945	0.5
451.54391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24905	0.5
53.03947	0.7
55.01863	0.8
55.02582	0.4
55.85859	0.4
57.03429	4.5
61.02903	1.1
69.03417	7.4
70.06587	0.5
71.04992	0.5
73.02898	1.0
75.04422	0.7
75.12061	0.5
76.55815	0.7
78.04707	0.7
79.05475	2.5
81.03403	2.5
81.07021	0.6
85.02887	15.9
87.04439	1.0
91.05479	1.2
92.09215	0.9
93.03391	0.5
95.04944	2.1
95.08583	0.7
97.02859	5.8
98.97546	0.5
105.04395	0.5
105.07025	0.9
106.04182	1.0
107.04968	1.0
109.02862	2.5
109.06510	3.0
119.16566	0.5
121.06505	3.1
123.04423	4.8
124.05221	0.8
125.09596	0.7
127.03905	2.3
127.07555	3.7
133.02777	0.7
133.06555	0.7
134.03618	2.1
135.04408	1.0
135.07997	0.8
136.05173	0.6
137.05983	3.6
138.03125	2.1
138.06720	0.7
140.04605	5.0
141.05449	1.2
145.04947	1.1
148.05162	9.1
149.05948	3.9
151.03922	0.8
151.07487	3.6
152.04683	3.0
154.06226	4.8
155.07002	4.6
161.05959	0.7
162.06740	0.7
163.03886	2.4
163.07527	2.4
164.08272	4.3
165.05446	3.0
166.06169	2.7
167.07004	84.1
168.07420	0.7
169.08557	2.5
170.05717	25.3
176.08308	0.9
177.05449	13.6
179.07001	3.5
180.07811	4.6
181.08560	100.0
183.06445	0.7
190.06216	0.9
191.07008	3.4
192.07779	40.5
193.04968	1.3
193.08585	0.6
195.10091	6.0
196.07387	0.7
207.10110	2.0
208.07210	1.6
223.09624	20.2
225.11197	3.1
226.08304	2.3
241.10649	45.5
259.11710	8.3
259.14310	0.8
445.83395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.1
57.07061	6.4
59.83327	3.0
67.05484	18.1
69.07056	25.6
71.08629	3.8
71.65204	3.3
73.32803	2.6
79.05439	11.3
81.07034	52.3
83.08612	7.4
87.04483	5.6
91.05437	5.7
93.07034	23.4
95.08580	100.0
105.07027	36.5
107.08574	45.3
109.10152	33.1
119.08559	58.1
121.10123	28.2
123.11678	12.6
129.06924	3.8
131.08536	16.3
133.10091	42.6
135.11700	13.7
137.13246	6.1
145.10086	44.3
147.11626	26.4
149.13237	13.4
155.08499	3.6
157.10133	7.0
159.11674	19.4
161.13196	22.9
167.65337	2.9
171.11673	16.3
173.13260	6.6
175.14854	24.6
177.09233	3.2
185.13280	6.5
189.16345	20.1
191.17950	6.0
197.13199	4.3
199.14792	5.9
201.16336	44.6
203.17970	29.1
213.16350	15.5
215.17778	4.5
217.19447	3.9
227.17897	3.4
239.17964	5.7
241.19424	19.1
243.21089	4.0
247.16827	6.1
253.19505	6.0
255.20909	5.1
285.18384	5.9
311.80508	3.6
335.27213	4.1
391.33353	11.8
437.34158	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	438.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90712	0.3
55.01857	0.5
57.03425	5.7
59.04978	0.9
61.02905	1.8
65.03912	0.6
68.05019	0.8
69.03415	15.5
69.31090	0.3
71.04956	0.5
72.85167	0.3
73.02881	1.7
75.04450	0.7
81.03397	0.8
85.01104	0.8
85.02890	18.8
85.75198	0.3
87.04451	5.3
91.03937	0.5
92.08664	0.5
97.02871	9.1
97.95383	0.3
98.00587	1.7
99.02654	2.4
99.04436	0.8
103.03918	0.5
107.04935	6.5
108.05271	3.2
109.02879	0.8
109.05457	0.3
109.06483	1.5
113.02912	1.5
115.03920	2.6
119.08586	0.4
124.19390	0.3
125.05967	0.5
125.07085	0.5
126.03721	20.1
127.03860	1.9
127.04585	1.7
127.07526	0.7
133.04953	0.7
144.04767	100.0
145.04944	1.4
146.47162	0.3
163.03928	0.6
172.04314	0.5
186.05820	3.4
305.12238	0.5
306.10010	38.5
360.72742	0.4
438.14090	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81002	3.2
55.05495	7.6
59.45448	3.2
64.99525	4.6
67.05486	24.2
69.07061	28.1
74.65707	3.4
77.47795	3.6
81.07033	70.9
83.08598	4.6
91.05460	7.4
93.07021	32.0
93.31910	4.0
95.08588	100.0
98.83636	4.0
105.07053	27.4
107.08575	48.3
109.10132	42.6
119.08569	40.8
121.10123	36.6
123.11661	14.0
129.06963	6.5
131.08560	8.6
133.10075	18.5
135.11655	19.5
137.13197	22.6
143.08527	14.7
143.93777	4.0
145.10114	47.5
147.11690	15.5
149.13243	16.6
151.14851	4.8
156.09357	4.3
157.10095	8.6
159.11665	23.8
161.13185	18.2
163.03845	5.8
163.14804	15.2
169.10159	5.0
171.11670	21.7
173.13254	14.0
175.14810	28.1
176.56189	3.7
183.11626	6.4
183.45491	3.6
185.13246	6.2
187.14835	7.8
189.16280	12.9
189.61995	4.0
191.17850	7.8
197.13191	6.6
199.14795	8.1
201.16357	23.6
203.17926	16.6
207.06491	5.5
211.14847	6.3
213.16414	3.9
215.17897	9.6
227.79634	4.4
229.19518	5.0
239.17914	6.8
241.19452	23.1
253.19609	6.1
255.20940	4.4
259.17148	4.5
285.18475	8.0
299.19781	4.7
391.33475	16.9
437.19247	6.9
437.34360	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.8
53.03938	1.0
55.05507	12.4
56.11235	0.9
57.07060	3.8
62.16850	0.8
64.54626	0.8
66.53187	0.9
67.05492	15.1
69.07053	20.5
71.08595	1.2
79.05476	11.5
81.07037	31.4
83.08605	9.3
86.29996	0.8
91.05459	15.1
93.07024	29.3
95.08588	45.6
97.10145	1.8
103.05489	1.1
105.07014	44.2
107.08575	51.9
109.06476	1.6
109.10144	29.9
117.07003	9.2
119.04977	1.0
119.08557	76.8
121.10118	35.4
123.08107	1.1
123.11671	11.0
125.05997	1.3
129.06967	4.3
130.07770	1.4
131.08539	24.8
133.10104	65.2
135.11668	18.5
141.09125	1.1
143.08540	8.0
144.09305	3.4
145.10101	40.2
146.10905	1.2
147.11670	47.5
149.13229	9.0
153.09087	1.6
156.09384	1.3
157.10098	13.3
158.10930	3.6
159.11670	35.8
160.12486	1.8
161.13222	24.1
163.11087	1.0
163.14806	13.3
169.10158	2.1
171.11655	7.7
172.12462	1.9
173.13205	20.7
175.14789	23.1
175.16148	1.4
177.09138	3.9
177.16371	9.8
183.11752	4.1
185.13197	7.8
186.14052	1.2
187.14801	21.6
189.16351	36.9
191.17891	2.0
193.15854	2.1
199.14833	4.7
201.16371	33.3
201.18190	1.7
203.17928	46.8
211.14763	1.8
213.16389	6.2
215.17862	10.0
217.12239	2.0
217.19490	2.0
221.18826	1.0
225.16283	1.1
227.17957	5.3
229.19485	8.0
241.19424	2.1
243.21031	3.2
247.16936	4.3
255.20988	14.4
267.21048	3.8
269.22635	1.5
335.27393	1.4
372.94638	1.2
381.27588	2.2
391.33459	7.6
395.29144	1.9
419.26056	1.4
419.33020	1.1
437.34088	100.0
438.34839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.7
57.02588	1.7
57.07064	3.2
59.78836	2.0
67.05138	3.1
67.05480	35.8
69.07056	41.8
73.78699	1.7
79.05466	22.3
81.06596	3.9
81.07034	75.7
83.08600	13.0
91.05464	18.4
93.07022	47.8
95.04968	2.8
95.08588	97.0
97.10111	2.7
100.27025	1.9
103.05387	2.3
105.07008	48.8
107.07866	2.8
107.08577	68.0
109.10133	65.1
117.07001	9.9
119.08562	71.7
121.10133	43.8
123.11676	14.2
129.06987	3.7
131.08545	34.5
133.10120	38.9
135.11665	21.6
137.13200	3.4
141.06981	3.3
143.08545	16.9
144.09262	2.4
145.10112	43.0
147.11652	30.9
149.13190	28.1
152.93878	2.1
155.08534	12.4
157.10100	20.7
159.11650	43.3
161.13202	24.5
163.07465	3.5
163.14755	11.6
169.10085	12.4
171.11679	19.2
173.13211	26.3
175.14771	28.9
177.16383	13.8
183.11671	9.0
185.13251	17.5
187.14781	11.0
189.16325	30.6
191.17975	4.8
195.11668	3.7
197.13194	3.8
199.14813	13.8
199.84755	2.2
201.16322	23.9
203.17908	22.6
209.13275	3.4
211.14764	10.9
213.16386	12.8
215.17934	41.2
225.16341	12.0
227.17958	10.0
229.19485	9.1
237.16362	3.0
239.17871	18.1
241.19453	10.1
243.21053	2.2
253.19293	14.6
261.18509	3.0
265.19330	3.3
267.21124	9.3
269.22647	2.7
279.21118	3.8
281.22571	8.9
283.24048	2.5
285.18442	3.7
287.20099	2.6
295.24231	3.9
299.19913	3.3
325.21552	3.8
327.23373	2.8
335.27176	2.5
338.99133	2.1
391.33487	42.5
437.34079	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	437.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61191	0.3
53.03926	2.0
55.01854	1.3
57.03417	2.2
61.02910	4.1
62.34655	0.4
69.03409	9.0
69.07047	4.5
71.04945	0.5
73.02896	0.7
75.26279	0.3
77.19257	0.3
79.05470	16.9
81.03385	3.1
81.07040	7.7
81.72394	0.3
83.04953	0.9
85.02883	33.9
87.04433	0.9
89.57233	0.4
91.03912	0.8
93.06985	0.6
95.04927	2.0
97.02866	7.8
97.06496	16.2
99.04405	1.5
103.03951	0.5
107.04954	4.4
109.02836	3.2
109.06477	0.7
115.03934	0.5
125.05960	28.4
126.06718	0.7
127.03856	4.2
143.07005	100.0
145.04968	2.2
155.07019	0.4
160.72162	0.4
227.35445	0.4
305.12216	5.4
424.79236	0.4
429.37549	0.5
454.08707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97902	0.2
53.03942	0.4
54.38574	0.2
57.03425	3.2
58.09777	0.2
59.04977	0.3
59.46262	0.2
60.04512	0.4
61.02901	0.2
65.50602	0.2
69.03411	8.5
79.05466	0.4
81.03373	0.3
85.02415	0.4
85.02885	6.3
87.04442	6.3
89.77193	0.2
91.76875	0.2
95.04928	0.9
97.02862	6.6
99.04401	0.2
107.04931	100.0
109.02880	0.3
115.03905	6.0
121.02837	0.8
122.03174	0.4
127.03902	0.5
129.27715	0.2
133.04922	4.8
145.04935	0.5
150.07582	1.0
175.07385	0.2
220.36095	0.2
239.08957	0.2
241.07101	0.2
255.52959	0.2
259.08047	0.4
265.22296	0.2
286.37378	0.2
295.10229	1.7
374.22214	0.2
436.18332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.6
53.03939	2.1
55.01853	2.5
55.05484	1.5
56.96560	0.9
57.03428	32.9
59.04990	7.2
60.04511	1.8
61.02896	2.5
61.21754	0.8
65.03922	1.8
67.05479	2.4
69.03415	100.0
70.06568	1.8
71.04967	4.3
72.62276	1.0
73.02885	4.0
75.04453	5.9
79.05465	6.5
81.03405	10.6
81.07028	5.4
83.04930	1.8
85.02889	82.1
85.06516	1.3
87.04452	55.4
91.03931	1.1
91.05443	2.1
92.08724	1.4
92.09200	1.7
93.03405	4.0
93.07013	5.4
95.04948	7.9
95.08591	2.0
97.02867	61.2
99.04446	5.2
103.05420	1.6
105.03370	39.1
105.06995	6.6
107.04924	5.5
107.08572	2.5
109.02846	4.6
109.06506	2.0
109.10120	2.3
109.68076	1.1
111.04428	10.5
115.03902	57.7
115.05407	2.0
117.07007	4.6
119.04974	1.0
119.08539	2.4
121.02852	1.2
121.06489	2.1
121.10052	1.5
123.04408	11.4
123.08038	1.6
124.03927	8.6
125.02338	1.2
125.05979	29.7
127.03925	10.9
127.11129	1.7
131.04871	1.3
133.04948	49.8
133.05977	1.8
133.06459	2.1
133.10100	5.1
135.11688	2.2
137.05933	7.8
138.23308	1.0
140.04665	8.7
145.04955	11.2
145.06454	4.5
147.04367	4.4
147.11658	1.9
149.09546	1.3
149.13181	0.9
150.07593	8.6
151.03917	10.9
151.11200	1.9
155.07043	1.7
159.04387	1.1
161.05989	2.0
163.07465	1.0
165.05428	2.2
165.09082	2.3
167.06999	15.4
168.07352	4.1
169.04887	2.3
171.06635	1.2
173.05957	1.4
175.07513	1.7
175.14867	1.1
177.05438	1.8
181.03345	1.4
181.04919	34.3
189.06157	1.0
191.07004	4.9
203.07080	1.3
208.07317	4.2
210.08743	1.2
221.08069	1.7
221.11624	1.1
226.08354	1.6
237.18436	5.9
239.12843	3.4
249.07574	1.6
259.08151	2.1
267.08585	5.9
313.09149	15.2
330.10776	1.0
401.14636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01856	0.4
55.05509	0.4
55.10259	0.3
57.03436	3.6
59.04969	0.5
65.03913	1.0
67.11224	0.4
69.03416	9.9
69.07063	0.5
71.04956	0.7
71.08636	0.6
73.02894	0.5
75.04417	0.4
75.64388	0.4
79.05477	1.6
81.03400	7.0
83.04971	0.6
83.22058	0.3
85.02893	11.9
87.04454	4.5
89.06001	1.7
92.09313	0.8
93.07001	0.4
95.04955	7.3
95.08578	0.5
97.02868	11.7
99.04424	1.7
107.04939	39.5
109.02871	3.7
111.04427	0.8
114.09155	0.5
115.03926	4.1
121.02844	100.0
121.06455	0.8
123.04396	0.9
125.70338	0.4
127.03897	2.3
131.04892	2.1
133.04953	2.4
139.03885	15.3
142.08607	2.7
145.04974	0.8
149.06006	0.7
167.06955	0.4
173.05945	0.7
181.08618	2.3
184.09668	1.9
191.07054	1.6
221.11761	0.5
239.12737	0.5
265.07016	6.1
283.08057	15.3
336.88937	0.4
355.35675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10437	0.1
53.03925	0.2
54.81941	0.1
57.03428	2.8
59.04992	0.7
60.04503	0.2
69.03419	7.8
73.02897	0.3
75.04458	0.2
76.56770	0.2
79.05473	0.4
81.03359	0.2
85.02415	0.3
85.02895	5.7
87.04454	6.3
95.04945	0.6
97.02869	6.0
100.27208	0.2
107.04941	100.0
108.05314	0.3
111.08836	0.1
115.03912	4.7
124.07561	0.6
124.99653	0.2
127.03907	0.2
133.04948	4.6
137.05931	0.2
145.04933	0.3
149.05908	0.2
150.07582	1.2
202.86307	0.2
220.69945	0.2
291.14813	0.2
295.10120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65354	0.2
53.03930	0.2
57.03428	3.4
59.04973	0.4
60.04498	0.2
68.79075	0.1
69.03413	8.3
70.01695	0.2
70.91051	0.2
71.01347	0.2
73.02899	0.4
73.66196	0.2
75.04454	0.5
75.75258	0.2
79.05481	0.4
85.02890	6.6
87.04451	5.7
95.04925	0.4
96.55553	0.2
97.02874	5.5
107.04939	100.0
108.05259	0.2
115.03915	5.3
120.08089	0.3
124.07564	0.3
127.03890	0.3
133.04942	4.7
137.05933	0.4
150.07635	1.5
165.82625	0.2
213.04762	0.2
259.08142	0.2
266.68311	0.2
289.45386	0.2
295.09811	0.2
412.78152	0.2
436.14563	0.4
460.29123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3465
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
52.22174	0.4
55.01843	1.0
55.05481	0.7
69.07037	1.5
71.09875	0.3
81.07016	0.5
83.56280	0.4
85.15196	0.4
87.11092	0.4
95.08530	0.5
99.04430	4.0
107.95596	0.4
111.04412	3.6
112.99991	0.7
119.08509	0.5
125.05964	11.2
141.05457	5.7
153.05438	100.0
154.12202	0.6
182.66743	0.4
208.08521	0.4
212.14642	0.4
235.68744	0.4
243.42615	0.4
249.67442	0.4
295.88983	0.5
417.33563	5.1
435.34650	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	436.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85064	0.2
55.05490	1.0
57.03428	1.6
57.74577	0.2
60.04512	0.2
61.02916	0.3
69.03415	4.6
73.02915	0.2
74.50835	0.2
77.84414	0.2
79.05475	3.8
80.04989	0.8
81.03396	0.3
81.05779	3.3
81.07034	3.4
82.06569	0.3
85.02887	3.3
87.04435	1.8
90.86558	0.2
92.63362	0.2
94.06559	1.2
95.04930	0.8
96.04443	0.2
96.08109	18.1
97.02876	2.8
97.06480	0.3
106.06527	2.0
107.04942	11.4
115.03895	1.1
121.02850	2.8
121.06473	0.4
122.16372	0.2
124.07569	100.0
125.05981	2.3
125.07899	0.3
127.03923	0.3
131.04881	0.9
133.04958	1.0
133.06477	0.3
135.04387	0.2
138.09174	0.3
140.04622	0.2
142.08611	1.9
145.02794	0.5
153.25285	0.2
163.03928	0.5
167.07021	1.1
172.43953	0.2
177.05411	0.3
177.09196	0.2
181.04900	0.4
200.89314	0.2
221.08130	0.5
239.09119	0.5
256.11722	1.0
283.07904	0.3
304.13867	1.3
377.33994	0.2
432.15732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3468
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.05497	23.0
57.07063	9.9
67.05501	35.1
69.07040	26.3
79.05464	27.1
81.07038	100.0
83.08611	22.8
85.06527	26.9
91.05451	19.3
93.07018	60.1
93.58533	3.7
95.08586	95.6
97.10114	6.8
99.08054	10.0
101.26328	3.9
105.07015	44.6
107.08576	97.8
109.06509	6.4
109.10143	53.5
111.08043	7.6
117.06964	5.7
119.08556	73.4
120.43764	3.9
121.10108	83.3
123.08016	5.1
123.11689	31.1
125.09614	6.9
131.08568	16.4
133.10103	57.2
135.11691	47.0
137.13225	8.3
139.07515	16.0
143.08571	6.3
145.10150	31.0
147.11649	35.0
149.13257	32.1
150.46335	3.7
155.08604	4.7
157.10088	20.6
159.11670	41.6
161.13217	32.0
163.14783	18.8
167.08511	5.4
169.10089	10.0
171.11707	19.4
173.13228	23.9
175.14816	24.6
179.14259	5.1
183.11665	15.9
185.13232	9.5
187.14810	24.0
189.06657	4.5
189.16325	27.2
191.17921	22.0
195.11444	4.5
201.16325	9.4
203.17935	21.5
213.16391	5.8
215.17879	8.3
217.19485	6.8
222.04440	4.0
223.14766	5.9
227.17941	9.2
235.83472	4.4
237.16318	5.7
241.19353	5.2
253.19441	4.2
299.23575	6.0
331.26248	9.2
381.31262	18.3
389.32169	8.6
399.32626	47.3
417.33585	6.5
435.33771	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3256
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03925	0.8
53.62535	0.7
55.05507	8.9
55.93344	0.7
56.73587	0.7
57.07056	4.1
57.80198	0.7
67.05499	6.4
68.58928	0.8
69.07058	13.2
79.05473	6.7
81.07041	18.5
83.08604	5.5
91.05450	9.9
91.57237	0.8
93.07024	22.8
95.04938	1.3
95.08591	26.1
97.10141	1.4
101.44213	0.9
105.07021	28.2
105.36647	0.7
107.08581	35.2
107.09297	1.7
109.10165	9.2
117.07005	4.9
119.08564	35.9
121.10120	15.9
123.11709	6.3
128.06172	1.0
129.06981	3.3
130.07767	1.1
131.08533	12.9
133.10109	20.8
135.11671	13.3
137.13255	3.8
142.07759	1.3
143.08540	9.3
144.09344	1.9
145.10117	28.4
146.10875	1.4
146.17245	0.8
147.11673	20.3
147.12767	1.6
149.13243	12.5
155.08554	5.5
156.09354	1.5
157.10086	15.0
159.11668	18.3
161.13248	9.4
163.14819	3.6
169.10112	4.9
171.11676	12.6
173.13235	10.5
174.83192	0.9
175.14761	16.0
177.09103	1.4
177.16383	5.6
181.10091	1.9
183.11768	6.9
184.12459	1.2
185.13249	4.6
187.14792	5.7
189.16351	27.1
195.11656	4.4
197.13222	5.0
198.13942	1.6
199.14789	11.6
201.16350	29.7
202.04327	0.9
203.17949	4.7
209.13197	3.7
211.14825	4.4
212.15375	1.2
213.16356	8.0
215.17897	7.1
217.12299	0.9
223.14861	2.0
225.16373	5.1
227.18024	4.4
237.16481	3.5
239.17928	5.7
241.19492	6.3
251.17876	1.3
253.19492	7.5
259.16916	1.2
265.19543	1.6
277.19388	1.1
279.20901	0.9
285.18768	0.9
293.22668	3.4
299.19952	1.7
305.22714	0.9
305.72028	1.0
311.20108	1.4
319.24017	1.3
325.21536	1.0
326.12985	0.9
333.25626	1.5
339.23087	4.0
366.25485	1.1
389.31989	14.1
392.27133	1.1
393.27713	1.3
435.28156	3.7
435.32526	100.0
436.32751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3256
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
52.72125	1.0
55.05491	7.3
57.07056	2.8
67.05482	8.9
69.07051	10.0
70.06583	1.1
76.76735	1.2
79.05469	8.1
81.07028	17.2
83.08594	2.5
91.05462	7.5
92.08637	1.8
93.07005	19.8
95.08586	22.2
97.10129	1.1
105.07014	23.5
107.08569	30.2
109.06485	2.8
109.10132	8.1
117.07002	5.8
119.08549	35.3
121.10130	23.0
123.11671	2.3
129.07019	2.0
130.32759	1.3
131.08537	11.2
133.10138	19.5
133.82896	1.3
135.11681	11.6
137.13225	2.1
142.07794	2.5
143.08534	5.9
145.10106	34.1
147.11652	13.6
149.13264	10.6
155.08540	2.9
156.09328	1.5
157.10106	12.8
159.11656	20.8
161.13188	9.4
163.07458	1.7
163.14792	2.1
169.10112	6.8
171.11638	11.0
173.13203	10.2
175.14789	10.7
177.16374	5.6
181.10071	1.9
183.11720	5.4
185.13228	3.0
186.14050	1.7
187.14827	7.2
189.16338	20.8
191.17845	2.1
193.87033	1.5
195.11633	2.8
197.13304	6.3
199.14821	8.6
201.16351	25.8
203.17935	5.2
211.14929	2.8
213.16377	11.0
215.17920	6.8
223.14893	1.6
225.16400	2.4
227.17900	2.0
237.16354	2.0
239.18001	5.4
241.19449	6.2
242.97809	1.5
253.19440	7.0
265.19525	1.7
285.18454	1.9
299.19891	1.3
389.31873	14.7
425.24716	1.4
435.27567	5.2
435.32507	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	435.3253
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05502	7.1
57.07043	7.0
66.77908	5.8
67.05475	15.3
69.07043	31.1
76.78921	5.4
79.05476	25.4
81.07024	53.6
83.08598	10.3
85.09033	5.5
91.05442	23.8
93.07006	40.9
95.08581	68.9
105.07023	62.4
107.08583	63.2
109.06453	8.2
109.10111	32.2
117.06981	8.1
119.08562	76.8
121.10102	34.5
126.84276	6.3
129.06960	8.8
130.87968	5.8
131.08537	33.9
133.10117	61.9
135.11658	29.5
142.07710	6.9
143.08513	30.7
144.75710	7.6
145.10081	42.1
147.04442	9.1
147.11632	31.7
149.13248	13.4
155.08549	8.8
156.09236	9.1
157.10121	37.4
157.60464	7.2
159.11644	52.6
161.13223	51.9
163.14766	11.5
169.10100	11.6
170.10742	8.5
171.11641	42.0
173.13243	30.7
175.14743	26.0
177.05432	6.3
183.11726	10.6
184.12329	15.2
185.13274	43.9
187.14842	13.2
189.16400	9.9
194.74582	6.2
197.13214	15.6
199.14748	97.4
201.16345	27.9
203.17999	11.6
211.14752	11.5
213.16345	30.4
215.18013	22.9
223.14752	6.8
225.16313	10.8
227.17889	9.3
257.22812	6.9
389.31836	12.4
435.32574	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	435.2738
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.62099	0.3
55.05503	19.6
57.03419	0.7
57.07070	4.4
58.57907	0.4
65.03907	0.5
66.75394	0.4
67.05495	13.8
69.07053	27.8
71.04958	0.8
71.08606	0.7
73.06528	0.4
78.86797	0.4
79.05461	6.0
81.07037	19.7
83.04961	1.7
83.08600	16.5
85.06523	0.9
85.10155	0.4
91.05455	14.4
93.06480	0.6
93.07016	9.6
95.08585	22.2
97.06515	3.1
97.10144	13.6
105.07020	6.1
107.08569	6.5
109.06515	0.8
109.10150	9.6
110.52630	0.4
111.08028	1.0
111.11688	4.7
119.04916	32.4
119.08540	7.2
121.10101	8.8
123.04445	0.5
123.08047	1.6
123.11672	3.8
125.09566	1.0
125.13203	0.9
131.08545	0.7
133.10110	7.7
135.11661	6.5
137.09605	1.9
137.13252	1.7
139.11125	0.9
145.10107	0.9
147.04387	100.0
147.11642	5.1
149.13264	1.9
151.11168	1.9
151.14806	2.2
153.12747	1.5
155.08557	1.7
157.10132	0.4
159.11760	0.7
161.13220	4.5
165.05461	3.6
165.12735	1.8
168.63150	0.5
169.10075	0.8
171.11604	0.5
175.14778	2.2
179.14304	1.6
181.10052	0.5
189.16295	0.7
193.10133	0.4
193.19540	0.7
199.63782	0.4
209.13329	0.6
217.19487	10.9
223.14778	1.0
225.16368	0.6
235.20505	11.4
253.21567	10.9
265.19415	0.7
271.22604	2.4
293.22665	0.9
299.23370	0.4
300.00409	0.5
311.19931	0.8
319.24194	0.5
339.22998	0.6
389.31946	2.1
435.32343	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	435.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.2
55.05503	1.6
57.07059	0.3
58.18172	0.1
65.03915	0.2
67.05493	1.4
69.07051	2.1
69.07380	0.2
69.07534	0.1
71.58562	0.2
74.55581	0.2
79.05460	0.8
81.07031	2.2
83.08591	1.1
91.05458	9.8
93.07024	1.3
95.08591	2.8
97.10149	0.4
105.06997	0.4
106.73235	0.2
107.08572	1.5
109.10126	1.0
119.04915	30.0
119.08537	1.0
119.82098	0.2
121.10129	1.0
123.11642	0.2
131.08511	0.3
133.10109	0.8
135.11667	0.3
143.08575	0.3
145.10135	0.3
147.04384	100.0
147.11655	0.3
148.04712	1.0
155.08540	0.3
157.10146	0.2
159.11644	0.3
161.13190	0.2
165.05446	1.0
169.10028	0.3
173.13278	0.2
183.11624	0.2
185.13264	0.2
201.16315	0.7
217.19426	0.3
223.14742	0.3
225.16203	0.3
235.20477	0.3
251.17796	0.2
253.21532	0.3
311.20157	0.4
335.15866	0.2
389.31982	0.3
435.27124	0.3
435.32431	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.2
55.05503	1.6
57.07059	0.3
58.18172	0.1
65.03915	0.2
67.05493	1.4
69.07051	2.1
69.07380	0.2
69.07534	0.1
71.58562	0.2
74.55581	0.2
79.05460	0.8
81.07031	2.2
83.08591	1.1
91.05458	9.8
93.07024	1.3
95.08591	2.8
97.10149	0.4
105.06997	0.4
106.73235	0.2
107.08572	1.5
109.10126	1.0
119.04915	30.0
119.08537	1.0
119.82098	0.2
121.10129	1.0
123.11642	0.2
131.08511	0.3
133.10109	0.8
135.11667	0.3
143.08575	0.3
145.10135	0.3
147.04384	100.0
147.11655	0.3
148.04712	1.0
155.08540	0.3
157.10146	0.2
159.11644	0.3
161.13190	0.2
165.05446	1.0
169.10028	0.3
173.13278	0.2
183.11624	0.2
185.13264	0.2
201.16315	0.7
217.19426	0.3
223.14742	0.3
225.16203	0.3
235.20477	0.3
251.17796	0.2
253.21532	0.3
311.20157	0.4
335.15866	0.2
389.31982	0.3
435.27124	0.3
435.32431	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2504
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03946	1.9
54.81656	1.9
55.01887	1.5
55.05504	37.7
57.03428	24.6
57.07061	7.1
65.03934	2.5
67.05492	88.2
68.06540	1.7
69.07059	42.3
70.33411	1.5
71.04987	1.7
71.08610	2.9
75.04433	1.8
79.05473	26.5
81.07036	96.4
83.04955	3.2
83.08604	21.8
85.06528	1.9
91.05460	21.9
93.07024	29.3
95.08586	85.3
97.06516	3.5
97.10143	11.1
98.98448	95.3
105.07042	15.0
106.76379	1.8
107.08580	19.1
109.10126	28.1
111.08105	2.7
119.08537	16.6
121.10121	17.5
123.11700	12.6
132.87454	1.7
133.10095	12.9
135.11702	2.9
137.09567	1.8
137.13249	6.5
145.10149	2.5
147.04436	13.3
147.11639	6.8
149.13239	3.5
151.14763	2.3
155.01028	32.6
157.10165	1.9
159.11652	1.8
161.13287	3.5
163.11119	1.7
163.14821	2.9
168.31973	1.7
169.10106	2.0
173.02095	9.7
175.14804	3.5
200.54004	1.8
245.22623	11.1
260.71289	1.7
263.23691	26.8
337.27307	100.0
435.31317	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	435.2506
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.00310	1.9
53.20241	1.3
55.05507	24.9
56.30595	1.5
57.03432	12.7
57.07070	3.4
59.43229	1.6
67.05495	71.5
69.07058	27.0
72.96914	1.4
79.05470	22.8
81.07039	73.6
83.04948	2.4
83.08610	11.0
85.06548	2.1
91.05454	13.2
92.63743	1.6
93.07029	25.5
95.08589	72.3
97.06519	3.6
97.10158	8.0
98.98447	100.0
105.07015	11.7
107.08575	15.7
109.10147	25.3
119.04919	6.7
119.08559	15.2
121.10100	16.6
123.11692	9.6
129.07019	2.1
133.10101	8.0
135.11674	6.9
137.13249	1.9
143.08482	2.9
145.10135	1.6
145.60173	1.8
147.04387	23.3
147.11703	6.7
148.04738	8.5
149.13255	7.1
149.53499	1.6
151.14830	3.0
153.05415	1.8
155.01024	43.1
155.08556	3.4
157.10121	3.7
159.11726	2.5
161.13242	6.6
163.14760	6.2
165.05438	2.2
169.10112	3.0
171.11728	3.7
173.02101	6.3
175.14868	5.6
184.12399	6.0
185.13284	3.1
187.14713	2.4
189.16353	2.1
197.13226	3.6
199.14830	7.2
201.16396	6.3
213.16367	2.7
223.14857	6.4
227.17839	1.7
245.22513	10.8
263.23660	31.6
293.22537	1.9
311.20038	2.0
328.22729	1.7
337.27353	31.6
389.31769	6.5
435.30945	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1833
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
53.03928	0.4
55.05520	0.4
57.03410	0.5
59.04991	0.7
62.38976	0.3
69.03404	1.6
70.06575	0.7
71.04981	0.4
78.98199	0.4
79.05470	0.8
81.03402	0.9
81.07047	0.5
83.04972	1.9
84.08126	0.4
85.02880	3.1
91.05463	0.6
92.09016	0.8
92.42590	0.4
95.04907	0.6
95.08584	0.4
97.02875	11.5
97.06524	0.4
98.03173	3.2
101.06052	0.4
105.03382	1.0
105.07042	0.5
107.04935	0.5
107.08554	0.5
109.02897	0.7
114.93669	0.4
116.07132	0.4
120.08074	0.7
127.03928	0.9
131.08572	0.4
133.10086	0.6
137.05945	0.8
138.05518	0.5
145.04933	0.5
156.43520	0.4
167.07056	2.7
181.04834	4.1
233.08107	0.6
239.90198	0.5
245.10310	0.4
251.98398	0.4
303.14178	2.4
317.36078	0.5
369.04724	0.4
417.15338	0.8
435.18280	100.0
436.18497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54824	0.3
53.03926	0.6
54.60200	0.4
54.82273	0.4
55.01855	0.7
55.05499	0.5
58.22867	0.3
65.03601	0.4
65.03923	9.5
67.05498	4.0
69.03408	3.4
69.07063	0.5
71.04991	0.3
78.04691	0.4
79.05471	9.0
79.76756	0.5
81.03394	4.6
81.07021	1.9
82.04184	3.0
85.02892	5.9
91.05444	2.5
92.09170	2.7
93.03370	2.0
93.07088	0.4
95.04941	5.1
97.02881	0.8
97.06483	3.4
103.05412	1.6
103.40903	0.4
105.04480	0.7
105.06972	1.9
106.04122	0.5
107.04932	17.8
108.02081	1.4
109.06464	0.6
110.03669	4.4
111.04413	2.3
115.05455	4.3
116.06193	0.9
117.06999	5.5
119.08576	0.5
121.06482	0.6
122.03625	0.5
123.00669	0.5
123.04395	3.9
123.70444	0.5
124.05163	3.5
125.05975	4.1
127.03890	2.2
128.06163	0.6
129.06955	2.5
131.04883	2.1
131.08530	2.5
133.06491	3.0
137.05960	1.6
138.03108	3.3
140.04700	0.5
141.06938	1.5
142.02592	2.8
142.04109	0.6
143.04887	0.7
144.05685	4.6
145.06450	10.9
147.04393	0.7
147.08046	1.6
149.05946	0.7
151.03870	0.7
152.04652	1.7
153.05461	4.7
155.04874	0.8
155.05980	2.1
155.07076	0.5
157.06485	2.5
159.08017	3.7
160.05174	0.6
161.05922	5.0
165.05406	0.5
166.02603	0.5
167.06992	35.9
171.06493	9.4
172.05167	6.5
173.05943	5.6
175.07532	1.8
176.08261	0.5
177.05359	0.5
177.09091	0.5
181.04913	100.0
182.05264	0.5
183.04436	0.5
186.33723	0.4
187.07462	6.3
189.05412	3.3
189.07130	0.4
190.06253	1.7
191.06982	1.9
191.10628	2.4
192.78955	0.4
195.06461	1.6
200.04643	2.0
201.05428	7.6
202.06166	0.9
203.06918	0.6
205.06822	0.7
205.08530	4.1
206.05621	3.7
207.08073	0.6
209.07901	0.4
211.05785	0.4
217.08524	0.8
218.05713	5.1
219.06291	0.9
219.08131	0.7
219.09920	3.0
221.07974	3.4
231.06358	0.6
233.08017	27.2
234.06815	0.6
235.09593	1.7
245.07999	1.5
251.06911	0.5
251.08910	2.8
263.06635	0.8
263.09189	6.5
264.07721	0.7
279.06686	0.4
281.10123	0.7
307.09402	0.6
308.06631	0.6
319.06097	0.5
323.09430	0.5
335.09210	0.6
344.12299	0.5
355.11734	2.4
367.11542	2.6
371.14954	0.5
372.12012	0.5
381.13159	1.0
387.14270	5.1
399.14294	4.6
405.14853	0.5
417.09674	0.4
417.15335	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	435.1645
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03925	1.3
65.03922	8.8
67.05491	5.0
69.03391	0.9
69.84203	0.5
76.56348	0.7
79.05474	13.4
80.03877	0.6
81.03387	2.7
81.07023	1.1
82.04163	3.3
85.02888	5.9
88.52748	0.7
91.05436	4.0
92.09068	3.1
93.03355	2.6
95.04942	5.0
97.06494	1.5
106.04103	0.9
107.04935	41.9
109.06474	0.9
110.03651	4.9
111.04431	2.6
115.05432	5.3
116.06218	0.8
117.06983	6.4
119.04888	0.8
119.08547	0.6
121.06491	1.1
123.04374	2.6
124.05182	8.5
125.05992	5.2
128.06169	1.4
129.06949	3.5
131.04916	1.4
131.08588	1.0
133.06447	3.4
137.05998	0.8
138.03073	1.4
141.06935	1.3
142.02542	2.7
143.04883	1.4
144.05705	4.7
145.06456	14.3
147.04315	0.8
147.08041	0.9
149.05927	0.7
152.04631	3.7
153.05414	5.2
155.04892	1.6
155.06015	3.2
157.06445	3.5
158.07324	0.7
159.08000	3.8
160.05099	0.7
161.05913	7.2
162.24149	0.7
165.05493	0.8
167.06990	78.0
171.06476	9.7
172.05107	3.7
173.05925	6.6
175.07516	2.8
177.08961	0.8
181.04913	100.0
183.04384	0.8
185.05890	0.9
187.07446	6.1
189.05431	3.4
190.06149	2.5
191.07025	1.3
191.10640	0.9
200.04573	0.9
201.05431	10.5
203.06972	3.0
205.08598	5.1
206.05661	1.0
214.25130	0.6
217.08525	0.9
218.05609	5.2
219.06419	2.7
219.09991	2.3
221.07950	4.3
230.05696	0.7
233.05791	1.4
233.08022	29.2
234.06705	0.8
235.07536	1.2
235.09599	7.1
245.08008	1.1
251.09135	2.7
252.07722	0.8
263.09131	5.1
264.07645	0.9
270.05054	0.8
277.08463	0.7
309.07578	1.0
323.08954	1.2
331.07800	1.5
339.12119	1.0
355.11646	2.4
357.82788	0.8
367.11633	2.4
373.12280	0.8
381.13254	1.3
387.14255	5.4
399.14340	3.7
417.15369	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03924	2.4
55.05492	2.3
59.91715	0.8
63.87148	1.1
65.03909	8.4
66.47655	0.9
67.05500	6.0
69.03417	5.0
69.07042	1.2
70.06555	1.1
79.03564	1.3
79.05471	18.7
81.03402	4.9
81.07026	6.9
82.04189	1.5
83.08609	2.5
83.67312	1.0
85.02898	10.4
91.05453	5.8
93.03418	1.6
93.07037	4.9
94.04121	1.3
95.04929	8.1
95.08574	1.9
97.02880	2.5
97.06507	5.5
100.11228	1.9
103.05419	1.6
105.07043	7.5
107.04932	37.1
107.08562	1.9
108.02063	1.6
109.06551	1.3
110.03651	2.6
111.04436	4.5
115.05422	4.4
116.03202	1.0
116.06236	1.1
117.06982	8.0
119.04916	1.2
121.06472	2.3
121.10128	1.7
123.04421	2.3
124.05212	5.7
125.05974	9.6
127.03873	1.6
129.06970	4.9
131.04892	7.2
131.08524	1.8
133.06487	5.2
133.10138	4.8
134.12180	1.2
137.05957	13.3
138.03075	2.1
141.06976	1.4
142.02577	4.3
143.04803	1.2
144.05699	5.0
145.06435	17.5
145.10124	1.3
147.04405	2.1
149.05933	1.3
152.04674	5.1
153.05563	1.1
157.06461	4.8
159.07922	1.6
161.05931	9.7
161.13185	1.2
163.07574	1.8
166.02669	1.1
167.06992	81.8
171.06453	8.4
172.05203	9.4
173.05914	8.2
175.07521	5.5
181.04916	100.0
182.15451	1.8
184.05193	1.5
187.07562	2.4
195.06502	2.1
200.04655	4.1
200.18201	1.1
201.05391	9.3
203.06892	1.4
205.08617	5.4
206.05649	1.7
207.08133	1.2
213.05397	1.3
218.05624	7.6
219.06339	3.7
219.17377	1.1
221.08029	5.8
233.08022	39.8
235.07483	1.4
235.09616	8.4
235.47070	1.2
245.08058	1.5
251.09099	2.5
255.37865	1.2
263.06796	1.2
263.09161	5.7
265.08124	1.3
285.10956	2.3
323.09042	1.2
331.07974	1.3
355.11539	1.8
357.17743	1.1
367.11633	1.5
371.14902	1.4
382.43887	1.1
387.09631	1.1
387.14383	6.2
399.14297	4.8
417.15350	26.0
435.33292	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92405	1.0
53.03931	9.6
55.05495	2.3
57.03428	12.7
58.01971	1.1
59.04996	1.9
61.02911	24.8
69.03416	21.4
71.04982	16.8
71.95007	1.2
73.02891	5.6
75.04451	7.8
79.86253	1.1
81.03400	81.0
83.05001	1.1
85.02888	29.9
85.06521	18.7
87.04444	23.7
91.03942	16.7
93.05505	11.2
93.16422	1.3
95.04954	14.7
97.02869	16.5
98.01488	1.2
98.03637	7.1
99.04436	9.5
105.05497	16.5
109.02867	36.5
113.05988	100.0
115.03878	6.5
123.06538	15.9
127.03911	8.8
133.04895	2.5
141.05440	75.8
145.04971	7.7
155.07019	1.5
163.06007	9.2
173.08057	5.3
191.09087	2.1
209.10175	96.7
226.12810	15.0
255.10605	2.4
320.69641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05070	0.3
57.03409	0.3
69.03407	1.6
81.03422	0.5
85.02870	0.7
86.09703	0.4
93.57339	0.4
93.66435	0.3
97.02859	1.5
103.07544	0.4
104.69131	0.4
115.67428	0.4
126.06609	11.0
127.06961	1.6
234.64812	0.4
247.60632	0.4
303.10425	2.8
364.36368	0.5
375.05359	0.7
435.14636	100.0
439.70657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
55.05492	2.3
59.91715	0.8
63.87148	1.1
65.03909	8.4
66.47655	0.9
67.05500	6.0
69.03417	5.0
69.07042	1.2
70.06555	1.1
79.03564	1.3
79.05471	18.7
81.03402	4.9
81.07026	6.9
82.04189	1.5
83.08609	2.5
83.67312	1.0
85.02898	10.4
91.05453	5.8
93.03418	1.6
93.07037	4.9
94.04121	1.3
95.04929	8.1
95.08574	1.9
97.02880	2.5
97.06507	5.5
100.11228	1.9
103.05419	1.6
105.07043	7.5
107.04932	37.1
107.08562	1.9
108.02063	1.6
109.06551	1.3
110.03651	2.6
111.04436	4.5
115.05422	4.4
116.03202	1.0
116.06236	1.1
117.06982	8.0
119.04916	1.2
121.06472	2.3
121.10128	1.7
123.04421	2.3
124.05212	5.7
125.05974	9.6
127.03873	1.6
129.06970	4.9
131.04892	7.2
131.08524	1.8
133.06487	5.2
133.10138	4.8
134.12180	1.2
137.05957	13.3
138.03075	2.1
141.06976	1.4
142.02577	4.3
143.04803	1.2
144.05699	5.0
145.06435	17.5
145.10124	1.3
147.04405	2.1
149.05933	1.3
152.04674	5.1
153.05563	1.1
157.06461	4.8
159.07922	1.6
161.05931	9.7
161.13185	1.2
163.07574	1.8
166.02669	1.1
167.06992	81.8
171.06453	8.4
172.05203	9.4
173.05914	8.2
175.07521	5.5
181.04916	100.0
182.15451	1.8
184.05193	1.5
187.07562	2.4
195.06502	2.1
200.04655	4.1
200.18201	1.1
201.05391	9.3
203.06892	1.4
205.08617	5.4
206.05649	1.7
207.08133	1.2
213.05397	1.3
218.05624	7.6
219.06339	3.7
219.17377	1.1
221.08029	5.8
233.08022	39.8
235.07483	1.4
235.09616	8.4
235.47070	1.2
245.08058	1.5
251.09099	2.5
255.37865	1.2
263.06796	1.2
263.09161	5.7
265.08124	1.3
285.10956	2.3
323.09042	1.2
331.07974	1.3
355.11539	1.8
357.17743	1.1
367.11633	1.5
371.14902	1.4
382.43887	1.1
387.09631	1.1
387.14383	6.2
399.14297	4.8
417.15350	26.0
435.33292	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94910	1.1
50.95683	1.0
55.01857	1.4
55.05495	2.8
56.72580	1.1
57.03426	32.6
59.04982	7.2
60.03001	1.2
60.04530	1.5
60.27609	1.2
61.02907	1.8
67.05490	2.5
69.03416	100.0
69.07050	2.3
71.04971	1.4
72.09981	1.2
73.02869	5.7
75.04453	7.8
79.05461	5.7
81.03384	2.4
81.07044	5.6
81.25171	1.1
83.05007	1.1
83.08581	1.5
85.02892	72.8
85.06541	2.2
87.03944	2.0
87.04454	59.5
91.03922	1.7
91.05470	2.3
92.08810	6.1
93.07008	8.7
94.18913	1.4
95.04905	1.5
95.08576	5.5
97.02870	66.7
99.04457	2.4
103.32549	1.1
105.07018	6.6
107.08567	5.6
108.08898	1.5
109.02857	2.0
110.72952	1.4
115.03911	58.1
117.07021	1.7
119.08536	6.5
121.06487	1.4
121.10089	2.3
123.08055	1.5
125.31397	1.2
127.03848	5.4
131.08530	3.2
133.04939	63.8
133.10107	3.1
135.11621	2.3
145.04945	8.6
145.10126	2.9
147.08025	1.4
149.13268	1.5
150.07587	7.9
151.03899	1.9
157.10043	1.5
159.08070	2.1
159.11697	2.0
161.13269	1.5
163.07533	1.4
163.14783	1.6
173.13194	2.2
177.05495	1.2
181.04956	2.3
219.13777	2.0
237.02811	2.7
237.14688	1.5
333.55341	1.4
457.11353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55806	0.9
53.03923	1.4
55.01864	2.0
57.03210	1.0
57.03431	15.5
61.02925	1.8
64.71228	0.9
65.55145	1.2
69.03415	13.1
71.04953	5.1
73.02899	2.1
75.04440	4.4
81.03393	4.9
83.04953	1.2
85.02426	1.5
85.02898	30.2
87.04446	4.8
89.06009	4.8
89.30658	1.1
90.22451	1.0
91.05460	6.2
92.09021	4.5
93.06982	1.7
95.04923	2.6
97.02888	13.5
103.05448	38.0
105.03371	5.9
105.06995	2.0
109.02862	2.2
110.03646	5.9
115.03895	2.1
116.04150	1.2
117.03385	1.9
117.06997	1.4
119.04901	13.0
121.02842	17.7
121.06480	7.6
121.10162	1.2
123.04414	15.9
124.05193	2.5
127.03913	5.8
130.04106	1.3
131.04912	100.0
133.04955	1.8
135.04414	2.2
135.08072	1.6
137.05966	23.6
138.06747	20.0
139.03877	2.1
139.08641	2.6
145.02829	1.5
145.04958	5.9
145.06456	1.2
147.04358	5.2
148.05177	11.5
149.02252	1.8
151.07558	9.6
159.07971	1.7
161.05978	2.0
163.03838	17.5
163.07509	40.8
166.06236	21.5
167.06886	1.8
174.95151	1.3
179.06996	2.2
181.08519	15.0
219.10104	1.7
237.11101	9.6
255.12230	35.9
283.08069	2.3
348.11206	1.2
434.16751	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74304	1.6
53.00277	2.0
53.03927	2.6
54.82129	1.4
55.01857	2.8
55.05503	2.4
57.03173	2.2
57.03429	40.2
58.46226	1.6
59.04980	9.7
60.04505	1.8
61.02913	2.4
67.05482	3.9
69.03416	100.0
70.06554	2.6
71.04971	7.6
72.08132	1.7
73.02888	8.5
73.55793	1.6
74.12507	1.9
75.04453	9.3
79.05466	3.8
81.03384	4.2
81.07039	3.8
83.04961	2.8
84.08106	2.2
85.02891	78.6
87.03937	3.6
87.04450	71.7
91.05482	2.8
92.09091	2.5
93.07021	8.3
95.04939	3.3
95.08582	7.1
97.02873	64.5
98.97556	1.6
99.04453	4.1
105.07020	9.0
107.04951	2.0
107.08557	3.4
109.02852	2.8
115.03906	70.1
115.69401	1.7
117.07028	1.7
119.08559	13.2
121.06504	2.8
121.10117	3.7
123.08064	30.0
127.03863	3.6
128.22755	1.8
130.06494	3.1
131.08508	3.6
133.04938	63.7
133.10049	3.3
135.08128	2.0
136.07518	2.0
137.09625	2.3
144.62923	1.8
145.02745	1.9
145.04942	8.5
145.10126	6.8
147.08011	10.0
150.07608	11.1
159.08012	9.1
159.11627	4.4
167.06963	3.5
177.05351	2.4
181.04958	2.6
187.92903	2.1
194.77904	1.8
201.09094	3.4
219.17331	3.0
237.14784	2.6
259.07983	2.4
273.11566	1.8
287.05466	3.8
288.05710	10.0
303.04907	32.6
434.25937	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85081	0.3
53.03914	0.4
55.01845	0.6
55.54869	0.4
57.03427	16.0
59.04979	3.3
60.04509	1.7
61.02892	0.8
67.05475	0.4
69.03410	43.8
69.07040	0.4
71.01339	0.4
73.02895	1.9
74.41660	0.4
75.04462	0.8
79.05491	3.4
79.87891	0.4
81.03387	1.9
81.07046	0.7
83.04967	0.8
83.08565	0.4
85.02885	32.1
87.04446	29.4
87.04887	0.5
91.05463	1.7
93.07007	2.5
95.04944	0.7
97.02864	36.9
98.30658	0.4
99.04392	0.9
103.05485	0.7
105.07007	100.0
106.07370	0.6
107.08566	2.5
109.02882	0.9
111.04453	0.5
115.03905	30.2
119.08554	12.1
121.06506	2.2
122.64491	0.4
127.03864	3.7
131.08557	2.2
133.04939	25.0
133.10072	0.5
143.08525	4.8
145.04929	2.7
145.10109	2.7
147.08014	4.7
150.07591	5.6
159.08000	3.2
171.08009	0.7
173.09595	2.0
176.71111	0.5
181.04933	1.7
189.09091	2.4
202.29285	0.5
219.10011	1.5
231.10118	0.9
237.11243	3.1
241.07060	0.7
249.11172	0.7
259.08078	0.8
277.09027	0.6
284.06418	0.5
295.10028	1.0
359.02344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44352	0.9
55.01860	1.1
57.03426	33.9
59.04990	5.5
59.73327	0.9
60.04506	1.9
61.02905	5.3
69.03413	89.5
70.13406	1.1
71.01311	1.4
71.04984	1.5
73.02898	2.1
75.04464	2.5
81.03404	6.0
85.02886	100.0
87.03933	2.3
87.04448	56.6
88.88332	1.1
97.02869	60.1
97.17103	1.1
99.04411	2.2
103.03920	1.2
105.07000	5.6
109.02867	6.4
115.03909	54.2
127.03909	10.8
133.04939	47.5
145.04935	17.7
147.08078	1.3
150.07603	7.1
155.06480	1.2
157.24707	1.1
163.06012	7.9
182.95866	1.0
259.08124	2.6
285.13315	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	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.5
53.03933	1.4
53.76017	0.6
55.01860	1.1
55.05481	0.7
57.03423	31.7
59.04990	13.0
60.04504	1.5
61.02896	5.3
65.11156	0.6
67.05489	0.7
69.03413	100.0
69.07050	1.1
70.06556	1.1
71.01350	0.9
71.04960	1.6
73.02894	10.8
75.04449	6.4
79.05466	3.8
81.03395	9.7
81.07023	1.4
83.04960	0.8
85.02885	82.9
85.45851	0.7
86.09679	3.9
87.04447	71.1
91.05424	1.7
93.06961	1.0
95.08582	1.2
96.89996	0.8
97.02866	77.8
99.04433	5.4
105.03385	1.4
105.05510	2.6
105.06989	1.7
107.04940	1.2
107.08559	0.9
109.02834	4.7
115.03909	60.0
115.05428	7.2
121.06475	6.4
121.10051	0.9
123.04413	9.2
126.05460	0.8
127.03890	10.5
129.06961	1.2
131.08501	1.0
133.04939	56.2
133.10068	0.9
137.05905	1.1
144.06569	0.9
145.04945	16.6
145.09984	0.9
147.04387	1.1
149.02318	4.3
150.07623	3.3
150.46814	0.8
151.03844	1.5
151.40811	0.8
152.85292	0.7
159.11684	1.0
162.07643	1.3
163.05939	3.6
167.07072	0.9
177.05426	1.6
189.09013	1.2
208.89626	0.7
223.06078	0.9
231.08606	1.3
241.07053	1.2
258.14658	0.9
259.08023	1.6
277.09052	1.4
285.09766	1.1
295.10046	1.7
352.84744	1.0
451.01205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
54.12183	0.1
55.05502	1.5
57.03423	0.2
57.80531	0.1
57.83231	0.1
59.04979	0.9
61.02901	0.3
66.03355	0.1
69.03410	1.4
71.04963	0.3
79.05476	0.3
79.31972	0.1
81.03391	1.0
81.07031	0.5
81.25641	0.1
83.04968	2.1
85.02891	1.8
89.06001	0.7
91.05455	0.7
93.07038	0.2
94.04158	1.5
97.02865	3.4
97.36308	0.1
99.04433	0.6
101.05993	0.3
105.03322	0.2
107.04919	0.2
107.08636	0.1
109.02860	1.3
122.03619	5.4
127.03888	1.2
136.15652	0.1
137.05954	100.0
138.06303	0.5
139.03838	0.1
145.04984	1.0
147.04364	0.2
187.05957	0.2
209.15497	0.2
238.32359	0.1
245.10316	0.1
246.89563	0.1
355.54025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74894	0.8
53.03934	3.5
55.01859	1.7
55.05499	3.6
57.03424	8.0
59.04976	3.9
61.02907	5.4
67.05478	5.1
69.03069	1.4
69.03416	30.0
69.07070	1.1
71.01352	0.8
71.04966	4.0
71.12902	0.9
73.02900	1.2
79.05463	4.7
80.92974	0.9
81.03415	10.4
81.07030	5.1
83.04951	1.8
85.02893	63.5
85.03422	2.0
86.09699	2.3
87.04457	7.1
89.06030	1.4
91.05457	4.3
93.07004	1.6
94.06544	1.4
95.04959	6.1
96.04468	0.9
97.02872	45.2
97.06538	1.9
98.97552	0.9
99.04462	3.2
101.06011	1.3
103.03928	4.3
105.03378	100.0
105.06994	1.8
107.04970	1.3
108.08083	11.6
109.02859	12.4
109.06525	1.4
110.06045	1.0
115.03915	1.9
121.02851	1.9
122.06008	4.9
123.04427	3.8
124.03924	2.3
124.65296	1.1
125.05984	4.6
126.05471	6.9
126.09168	3.9
127.03905	19.3
131.04900	2.2
133.04897	1.8
133.10051	0.9
136.07552	19.8
137.05946	2.3
140.07057	43.4
145.02763	1.3
145.04951	12.6
145.10153	1.5
147.04424	1.8
149.02304	7.7
150.09157	4.2
152.07048	16.2
154.08629	5.3
154.46394	0.9
163.03876	3.7
163.06046	4.3
163.07440	1.3
164.04164	1.4
164.07042	23.0
166.90831	1.0
167.07071	1.1
173.09467	1.1
177.05444	1.9
178.08585	20.1
181.04951	1.8
182.08098	71.6
185.04848	0.9
189.09038	1.2
191.10626	1.4
193.04961	1.2
198.11327	1.0
201.89349	0.9
206.08099	26.9
218.08000	1.4
219.10165	1.1
228.73232	0.9
236.09286	3.2
237.07579	5.2
237.11186	4.1
248.09138	6.1
249.07472	1.6
267.08609	19.2
284.11325	1.1
302.12274	2.2
404.13678	0.9
433.20163	1.4
435.18210	1.0
436.51392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	52.5
59.04985	71.7
59.64015	5.2
67.05495	13.9
69.07076	8.1
73.26564	6.1
79.05465	30.6
81.07050	14.5
85.06529	100.0
91.05470	75.1
93.07026	60.9
95.08603	42.5
105.07043	70.6
107.08597	28.5
109.06504	13.9
111.08052	10.4
116.59728	5.7
117.06959	8.9
119.08564	77.9
121.10112	13.9
122.76862	6.3
125.09631	28.3
129.06960	10.8
131.08543	31.8
133.10114	16.0
135.11696	8.3
137.09669	24.6
142.07777	25.2
143.08562	33.8
144.09370	8.2
145.10110	28.2
147.11691	7.2
151.11179	31.1
155.08585	11.0
156.09335	11.2
157.10132	14.3
159.11687	26.9
168.09268	9.9
169.10123	13.8
171.11679	26.8
175.11124	7.8
179.08562	10.1
181.10110	9.7
183.11729	10.6
197.96872	6.4
209.13278	9.4
223.15034	7.1
281.30356	6.8
315.12195	6.8
367.02322	6.9
391.81082	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	433.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
53.57170	1.7
54.81669	1.6
55.05505	48.0
56.48457	1.8
57.07053	2.2
57.48891	1.8
59.04993	66.5
59.78159	1.8
65.03929	2.3
67.05499	20.7
69.03401	4.3
69.07051	7.6
71.04977	2.8
79.05473	20.8
81.07030	23.0
83.04974	3.0
85.06531	100.0
91.05466	61.5
93.07019	35.5
95.04939	13.1
95.08585	28.1
97.06533	2.6
97.10104	2.1
99.08082	2.6
101.53234	2.0
103.05443	3.9
105.07017	55.0
107.04911	2.1
107.08572	27.8
109.06497	12.7
109.10126	14.9
111.08057	12.3
115.05437	4.0
117.06981	24.1
119.08562	81.3
121.06485	3.2
121.10112	22.7
122.07240	4.3
123.08045	10.8
125.09620	25.5
128.06213	11.8
129.06979	15.4
130.07727	3.6
131.08554	27.7
133.10117	26.1
134.92320	1.8
135.07994	9.1
135.11688	7.5
137.09604	23.4
141.07028	4.8
142.07758	21.4
143.08582	24.3
144.09306	3.1
145.10092	31.2
147.08022	7.8
147.11638	8.4
149.09608	7.9
151.11156	21.1
155.08534	11.8
156.09340	10.6
157.10086	27.0
158.10851	2.1
159.08029	3.3
159.11615	11.7
161.09599	2.2
161.13257	2.7
163.11156	9.1
165.06940	4.4
166.07710	1.8
167.08542	4.9
168.09340	7.9
169.10094	13.2
170.10956	3.7
171.11688	17.1
173.13226	4.1
175.11200	3.3
179.08496	8.0
180.09262	2.3
181.10103	8.4
182.10884	2.7
183.11639	17.0
184.21649	2.0
185.13196	4.5
187.11200	2.8
189.12679	3.5
192.09380	2.6
193.10045	8.3
194.10880	3.3
195.11673	12.1
196.12436	3.9
197.13216	2.7
202.13327	2.1
203.14325	3.1
206.10890	3.4
207.11685	12.5
209.13249	8.7
211.14865	4.5
219.11707	3.5
221.13208	4.1
223.14824	7.8
235.14792	7.5
275.20117	2.4
369.60696	2.2
392.21014	2.0
433.31369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14769	5.7
52.94608	6.3
55.05503	69.8
59.04985	73.7
67.05492	15.0
68.44599	7.6
69.03381	5.7
69.07066	8.5
74.67059	6.3
79.05450	23.7
81.07032	42.0
85.06518	100.0
91.05465	74.4
93.07019	52.2
95.08570	31.7
105.07021	54.9
107.08593	38.1
109.06538	10.7
109.10137	26.8
111.08086	11.0
117.06998	14.3
119.08555	74.4
121.10126	10.3
122.07260	8.4
125.09593	11.7
128.06210	7.2
129.06975	27.8
131.08505	29.4
133.10112	25.9
135.11682	14.1
135.38951	8.4
137.09589	40.4
142.07750	8.9
143.08510	25.4
145.10107	34.6
149.09549	12.4
151.11140	29.5
156.09283	8.0
157.10101	31.1
159.11671	13.1
168.09290	10.4
169.10065	16.2
171.11674	10.6
181.10179	10.6
183.11674	14.5
194.10770	7.2
203.14172	7.3
205.10291	7.1
215.14412	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	433.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01855	2.8
55.05230	1.6
55.05503	45.5
57.03426	13.8
57.07061	7.9
59.04976	1.7
61.02914	1.5
65.03916	1.7
67.05492	74.6
69.03400	8.1
69.06706	2.1
69.07055	34.3
71.04980	11.8
71.08610	1.6
73.06536	2.8
79.05473	61.7
81.03386	2.0
81.07037	100.0
83.04971	8.2
83.08611	21.2
85.02881	16.6
85.06519	7.5
87.04450	2.3
91.05457	46.6
92.09117	11.5
93.07020	65.1
95.04943	5.2
95.08585	90.5
97.02859	4.4
97.06508	12.8
97.10146	14.8
99.08069	2.0
99.84827	1.2
100.11236	9.7
101.05993	22.4
103.05441	2.0
105.07011	35.0
107.04929	1.6
107.08575	38.5
109.02846	1.3
109.06532	2.2
109.10136	36.8
111.04385	1.5
111.08055	5.9
111.11660	1.6
114.09152	2.7
115.07587	2.0
115.75741	1.1
117.07013	2.2
117.68525	1.2
119.08554	30.5
121.10118	52.9
123.08075	1.8
123.11683	12.7
125.09564	4.8
128.07059	1.8
128.10703	6.3
131.08546	6.5
133.10115	32.1
135.11664	41.1
137.05942	1.9
137.09618	1.9
137.13217	7.6
142.08656	2.2
143.08551	1.4
145.10132	2.1
147.08044	1.2
147.11684	21.5
149.13234	13.0
151.11185	2.1
151.14812	2.0
156.10181	1.8
157.10138	4.6
157.12219	1.8
159.11664	2.9
161.13237	21.8
163.11151	1.3
163.14755	6.1
167.07007	2.7
175.14778	14.5
177.16342	4.6
178.05020	2.8
181.04904	13.6
182.15355	2.6
189.16389	2.6
191.17886	1.6
196.80057	1.3
205.08452	1.9
209.16479	1.8
210.14859	2.1
217.19489	52.1
229.12257	1.3
235.20477	27.3
253.21573	19.5
257.35324	1.5
271.22693	11.8
337.21414	1.9
342.71140	1.2
355.22559	6.7
373.23599	1.6
397.12857	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	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37833	0.9
51.32954	0.9
55.05494	5.7
56.43967	1.1
67.05490	26.0
69.03407	1.5
69.07040	6.3
77.03913	1.3
79.05060	1.3
79.05476	22.3
81.03394	1.3
81.07040	34.5
81.37807	1.2
83.08604	5.5
85.00171	1.1
85.02895	2.9
88.06390	1.2
91.05462	40.6
92.08748	6.1
92.09373	2.6
93.07021	42.3
95.04959	6.6
95.08577	25.8
97.06471	2.1
103.05458	1.6
105.07014	58.0
107.04948	1.7
107.08579	30.8
109.06497	5.1
109.10139	14.7
115.05447	4.1
117.07013	20.1
119.08557	41.0
121.06458	5.2
121.10107	19.4
123.04364	2.2
123.08053	2.3
128.06210	5.5
129.06984	20.1
130.07797	1.5
131.08545	34.5
133.06468	5.3
133.10109	27.5
134.69887	1.2
135.08022	1.7
135.11658	13.9
139.07437	1.5
141.05486	1.4
141.06979	9.4
142.07761	7.9
143.08536	30.3
144.09309	1.9
145.06479	6.0
145.10094	28.5
147.08026	8.2
147.11671	22.9
149.05998	2.4
149.13245	7.7
151.07506	1.6
153.05556	1.2
153.06949	2.0
155.08534	15.8
156.09282	2.9
157.06535	4.6
157.10106	25.3
158.10800	1.2
159.07983	1.5
159.11641	32.5
161.09634	2.4
161.13232	24.9
163.07538	6.3
165.06973	3.0
166.07698	2.1
167.08536	4.8
168.09358	8.5
169.10062	12.7
171.07999	2.6
171.11662	11.2
173.13245	6.7
175.07507	25.1
175.14676	4.4
177.09120	2.9
179.08495	1.3
181.04971	2.4
181.10037	12.6
182.10915	1.8
183.11655	19.2
183.13016	1.6
185.09581	4.7
185.13229	11.8
187.07446	2.1
187.11145	1.3
187.14778	5.9
189.09033	8.5
193.08539	2.1
193.10138	2.1
195.11716	8.8
196.08723	1.3
197.09677	1.2
197.13211	9.7
199.11105	2.6
199.14745	9.4
201.09154	5.6
201.12744	5.6
203.10703	3.0
207.11728	4.7
209.09618	5.7
209.13216	9.6
211.11122	5.8
211.14740	6.7
213.09200	1.9
213.12819	1.7
213.16406	7.1
215.10727	2.6
215.17940	8.3
217.12244	1.6
221.13148	2.0
223.14821	6.0
225.12605	1.8
225.16283	2.3
227.10619	13.6
227.14244	1.9
229.12207	19.8
231.17276	2.7
235.14781	7.2
237.12758	1.7
241.12180	6.1
243.13788	5.4
247.13171	2.0
249.16481	2.7
251.17920	4.6
253.19469	6.2
255.13684	6.2
263.17889	1.5
269.15146	2.3
277.19501	5.7
281.15253	3.0
291.20990	10.9
293.22626	2.0
309.21964	4.9
319.20520	10.2
337.21536	100.0
339.07556	1.2
345.57498	1.3
348.51312	1.5
355.22614	94.2
361.86398	1.4
373.23630	66.9
443.28702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82076	0.8
55.01838	0.9
55.05502	9.7
57.03403	0.9
60.04503	5.0
64.56599	1.0
65.17725	0.9
67.05492	13.8
69.03395	1.2
69.07043	4.9
79.05470	17.0
81.07037	22.2
82.07349	0.9
83.08602	10.3
91.05458	17.9
93.07024	20.7
95.04934	2.1
95.08588	28.0
96.08959	1.9
97.10116	2.2
104.27093	1.0
105.03351	3.8
105.07011	24.6
107.04942	1.0
107.08572	19.7
108.08897	1.4
109.06470	1.1
109.10133	14.0
117.06998	6.7
119.08560	20.8
121.06477	1.7
121.10108	14.8
122.10445	1.4
123.04376	1.4
123.08035	1.1
125.05962	4.6
126.06348	1.1
126.62984	0.9
128.06226	1.4
129.06969	6.4
131.08565	16.1
133.06459	6.8
133.10110	10.6
135.08006	1.7
135.11684	9.7
141.06952	1.4
143.08574	7.3
145.06371	1.2
145.10100	12.6
147.08008	5.0
147.11659	7.9
149.13277	1.8
151.07500	2.2
153.05409	2.2
155.07172	0.9
155.08533	4.6
156.09106	1.3
157.10069	6.9
159.07941	1.3
159.11676	11.2
160.11986	1.3
161.05943	4.1
161.09576	1.5
161.13254	14.9
163.07484	2.0
167.08519	1.3
169.10074	5.7
171.11632	1.8
173.09622	1.3
173.13211	3.8
175.07494	11.3
175.10959	1.4
175.14761	5.9
177.09100	2.1
177.16344	6.5
179.07007	22.3
180.07448	1.6
181.10135	2.3
183.11650	6.5
185.09648	1.2
185.13179	6.3
187.07552	1.2
189.09071	6.5
189.10817	1.2
191.07001	1.1
195.11644	3.9
197.13203	3.9
199.14728	4.0
201.09074	2.0
201.16270	1.4
209.13182	1.2
213.09010	1.3
215.10594	1.8
215.17842	1.7
223.14822	1.1
227.10536	3.8
229.12207	4.9
231.13718	1.3
241.12262	1.9
247.13210	1.3
255.13759	5.9
256.95474	1.0
273.14572	1.4
277.19501	2.3
291.20990	2.0
309.21799	1.1
310.22299	1.2
311.02380	1.0
319.20502	2.2
337.21539	27.4
338.21872	4.5
355.22543	21.9
356.22827	7.3
373.23639	100.0
374.23935	25.7
433.32816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.0
57.03424	0.6
57.07066	0.6
59.09881	0.5
65.03912	0.9
67.05492	38.1
69.07058	6.4
71.04970	0.6
76.92399	0.5
79.05476	10.0
81.07038	42.0
83.08603	6.3
91.04889	0.6
91.05460	16.6
93.07017	10.5
94.72440	0.7
95.08585	42.2
95.57865	0.5
97.06534	1.3
97.10149	2.5
98.98417	2.5
105.07007	5.5
107.08591	8.3
109.06498	0.8
109.10136	18.2
111.08044	2.6
117.06976	0.8
117.51734	0.6
119.04920	31.1
119.08553	6.3
120.08909	1.0
121.10134	7.6
123.04426	1.0
123.11689	6.8
131.08563	2.7
133.10110	9.8
135.08090	0.8
135.11705	6.5
135.99060	0.6
137.09573	2.1
137.13226	1.0
145.10146	1.4
147.04395	100.0
147.11647	2.3
149.13216	3.3
151.11151	3.3
159.11688	2.6
161.07195	0.6
165.05435	7.2
165.12617	0.9
173.13240	1.3
195.13704	2.3
208.84476	0.5
215.17909	8.3
233.18951	5.3
239.35681	0.6
251.20038	13.8
259.03998	0.6
335.25589	0.8
417.64340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
53.03918	0.4
53.88863	0.4
55.05511	3.8
56.24147	0.3
65.03927	0.5
67.05141	0.7
67.05492	19.5
67.86685	0.4
69.07040	2.2
71.04970	0.6
71.82527	0.3
73.34969	0.4
79.05476	5.6
81.07038	22.8
81.62718	0.4
83.08597	2.3
90.52766	0.3
91.05462	9.8
91.83250	0.4
93.07024	6.5
95.08589	23.2
97.06533	1.0
97.10138	0.7
105.07007	2.7
107.08567	4.2
109.10151	11.1
117.06961	0.6
119.04917	24.6
119.08593	3.2
121.10116	5.6
123.11662	3.0
129.72610	0.4
131.08549	1.6
133.10114	4.6
135.11650	2.6
137.09552	0.7
137.13219	1.6
145.10138	0.8
147.04388	100.0
147.11691	0.8
149.13217	1.5
151.11172	2.6
159.11629	1.0
165.05432	12.9
169.12228	0.6
173.13284	0.6
187.14763	0.6
191.47360	0.4
195.13756	0.5
215.17943	5.6
233.18938	3.4
251.19998	9.3
258.95697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69982	1.5
55.05502	4.1
67.05490	19.8
69.07066	3.3
73.32726	1.8
79.05477	24.5
81.07041	25.2
83.08621	3.2
85.02945	2.0
91.05463	34.0
93.07028	30.7
95.04948	2.7
95.08596	22.5
98.99170	1.8
105.07016	44.1
107.08579	34.3
109.06535	3.7
109.10145	9.7
115.05449	2.5
117.07009	13.6
119.08571	37.2
121.06476	2.0
121.10097	13.4
123.08089	3.2
128.06186	4.1
129.06987	18.7
131.08542	31.6
133.06479	3.5
133.10095	22.7
135.11650	12.8
141.07037	4.1
142.07773	6.9
143.08546	31.7
145.06451	2.8
145.10092	21.7
147.08054	8.3
147.11674	25.9
149.05986	3.1
149.13268	7.5
153.06952	2.1
155.08560	20.3
156.09286	2.3
157.10107	19.5
159.08069	2.6
159.11652	22.6
161.13234	23.3
163.07515	2.3
167.08551	7.2
168.09265	3.7
169.10089	9.3
171.08122	3.7
171.11670	11.8
173.13261	6.4
175.07532	21.7
175.14888	2.9
177.09132	2.2
179.08542	2.0
181.10097	10.0
182.10895	2.0
183.11655	22.7
185.09590	2.2
185.13248	9.8
187.14774	4.4
188.72867	1.9
189.09053	4.2
193.10144	2.8
195.11667	10.4
197.13225	7.6
199.14787	3.5
201.09157	3.2
201.12686	3.3
201.16412	2.3
203.10654	3.5
209.09532	3.4
209.13242	8.6
211.11148	9.3
211.14752	1.9
213.12733	2.2
213.16299	3.7
215.10786	2.4
215.17949	9.4
217.12411	2.7
221.13292	2.2
223.14825	3.9
225.12753	2.0
225.16277	2.8
227.10609	14.8
229.12125	15.1
235.14748	2.5
237.12703	2.4
237.84666	1.9
241.12181	7.4
243.13751	4.6
249.16315	2.5
253.19453	3.8
255.13872	6.6
269.15225	2.3
279.77179	1.9
291.20959	10.2
298.75778	1.9
309.22144	7.5
319.20618	7.6
334.19626	1.9
337.21576	100.0
355.22644	78.2
373.23688	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81585	1.9
55.05501	10.2
63.85698	1.6
64.95136	1.8
65.30536	1.6
67.05500	21.2
69.07043	5.0
73.74309	1.8
79.05470	30.9
81.03419	2.0
81.07041	38.3
83.05009	1.7
83.08617	3.4
84.62326	1.7
85.02898	2.9
91.05460	34.1
92.09089	3.9
93.07028	37.2
95.04948	9.1
95.08585	27.6
105.07010	41.8
107.04924	2.7
107.08569	52.3
109.10168	9.6
115.05398	2.7
117.07005	17.4
119.08559	38.4
121.06467	3.7
121.10141	18.1
125.05933	2.7
128.06239	3.6
129.06972	20.0
130.07813	2.8
131.08522	35.4
133.10117	22.7
135.11700	12.7
141.06963	8.2
142.07732	4.0
143.08525	28.6
145.10130	30.1
147.08006	3.2
147.11650	22.2
149.05937	3.3
149.09604	2.6
149.13234	4.8
155.08539	15.1
157.10091	23.3
159.11649	27.5
161.13232	15.3
163.07408	2.3
168.09309	3.8
169.10048	9.0
171.11684	10.6
173.09631	3.1
173.13226	11.5
175.07487	24.5
177.09100	3.0
181.08549	1.9
181.10135	11.2
182.10812	4.3
183.11717	18.4
185.09723	2.8
185.13226	11.8
187.07555	3.4
187.14764	9.1
189.09059	5.0
195.11633	12.9
197.13153	17.3
199.11160	2.7
199.14821	8.8
201.09038	4.3
203.10638	3.4
205.80508	2.5
207.11670	3.8
209.09697	2.3
209.13147	7.7
211.11223	4.6
211.14827	3.5
213.12782	2.2
215.10693	2.8
215.14314	3.1
215.17982	8.5
221.13100	2.4
223.14948	3.5
225.12817	2.9
227.10629	9.6
229.12151	16.9
231.13779	3.5
241.12163	9.0
243.13712	21.6
255.13812	3.5
264.59164	2.2
277.19641	4.2
291.21100	9.8
295.16711	2.2
298.29755	2.6
309.21939	4.6
319.20410	14.9
337.21536	56.6
355.22574	100.0
365.63455	2.1
373.23645	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81583	2.2
55.05507	10.2
62.71073	1.8
67.05499	16.9
69.07061	2.9
79.05466	23.1
81.07043	34.8
83.08598	2.3
85.02879	2.9
91.05458	47.5
93.07027	39.7
95.04948	5.3
95.08599	21.7
105.07011	58.7
105.07658	3.5
107.08569	35.6
109.06481	4.1
109.10135	15.7
115.05322	2.5
117.06999	21.4
119.08562	46.2
121.10125	14.2
123.04416	2.7
125.05920	2.1
128.06177	5.4
129.06989	21.6
130.07814	2.3
131.08553	31.5
133.10103	24.5
135.11624	17.3
141.06972	10.7
142.07738	4.6
143.08534	30.2
144.09351	2.8
145.10110	31.6
147.08054	4.9
147.11696	31.6
148.78860	2.1
149.13252	8.5
155.08510	17.5
156.09354	2.3
157.10124	24.9
159.08069	2.4
159.11684	35.2
161.09650	2.6
161.13252	25.9
163.07530	4.1
165.07062	2.3
167.08527	4.4
168.09332	4.6
169.10066	15.1
171.08096	2.9
171.11653	9.1
173.13222	5.4
175.07495	28.2
177.09143	3.0
181.10133	15.2
183.11679	22.2
185.13271	13.5
187.07594	3.1
187.14897	3.7
189.09119	8.5
195.11624	11.3
197.13235	12.2
199.11122	3.6
199.14772	10.8
201.09036	2.7
203.10750	5.0
209.09618	3.2
209.13213	4.4
211.11150	4.6
211.14838	8.3
213.09099	3.0
213.16411	4.6
215.10518	2.5
215.18022	8.5
217.12306	3.2
223.11113	3.0
223.14705	3.1
227.10625	15.2
229.12167	17.0
235.14917	5.2
241.12146	10.0
243.13698	4.7
251.18060	3.2
253.19536	4.7
255.13753	9.3
277.19452	3.9
291.20932	4.4
309.22037	4.3
319.20477	13.3
337.17722	4.2
337.21567	92.4
355.22614	100.0
373.23630	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	433.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
55.01883	1.0
55.05505	6.3
60.04512	2.2
60.20592	0.9
65.03922	1.5
67.05497	21.8
67.11908	1.1
69.03429	1.7
69.07047	6.3
75.31184	1.1
79.05470	21.3
79.10457	1.2
81.07043	37.6
83.08598	5.6
85.02888	2.9
91.05461	37.1
91.75548	1.1
93.07022	37.1
95.04932	5.4
95.08588	22.0
95.52438	1.3
97.06491	2.0
97.51184	1.1
103.05438	1.4
105.07015	51.7
107.08582	33.5
109.06499	2.8
109.10143	17.7
115.05410	2.0
116.06235	2.4
117.06995	17.0
119.08563	39.9
121.06518	3.1
121.10144	18.0
125.05988	2.5
128.06195	4.9
129.06979	20.9
130.07756	2.8
131.08549	39.4
133.06505	2.2
133.10095	30.5
135.08037	5.0
135.11653	13.3
137.06004	1.8
141.06979	8.7
142.07748	6.9
143.08543	29.4
144.09308	2.6
145.06487	2.7
145.10110	31.3
147.08035	10.4
147.11667	31.1
149.13237	8.7
151.07500	1.5
153.07036	2.9
154.07671	1.8
155.08502	18.0
156.09338	2.8
157.02441	1.4
157.06464	5.4
157.10095	25.4
158.07281	1.4
159.08014	5.5
159.11665	31.5
161.05901	1.6
161.09605	2.1
161.13225	25.3
163.07535	6.1
166.07803	2.9
167.08530	6.3
168.09343	5.5
169.10080	14.2
171.08072	2.9
171.11708	11.5
173.13246	9.5
175.07536	27.3
175.11140	1.5
175.14847	5.1
177.09081	3.1
179.08467	1.6
181.10075	14.0
182.10847	2.4
183.08049	1.3
183.11667	23.2
185.09599	5.6
185.13245	10.8
187.07568	1.5
187.14844	2.9
189.09096	7.6
193.08524	2.0
193.10085	2.7
193.65842	1.4
195.11691	12.9
197.09552	1.9
197.13297	7.2
199.11174	5.9
199.14804	10.3
201.09088	3.2
201.12642	1.8
201.16344	2.3
203.10716	5.1
207.11621	6.0
209.09604	5.9
209.13235	8.5
211.11197	5.4
211.14764	5.9
213.09120	1.7
213.16336	5.3
215.10669	2.5
215.14326	1.7
215.17896	6.0
217.12209	2.8
217.15770	2.5
221.13243	7.1
223.11156	2.0
223.14696	4.8
225.12790	2.5
225.16341	2.5
227.10620	22.1
227.29953	1.5
229.12218	20.1
231.17386	2.7
233.13301	1.6
235.14815	5.7
237.12805	1.8
241.12212	6.9
243.13748	8.5
249.16376	2.7
251.17926	5.9
253.19437	5.2
254.95282	1.4
255.13654	9.4
257.15265	1.5
263.18015	2.0
277.16513	1.5
277.19537	7.5
281.15369	2.5
291.21146	10.6
295.16913	2.4
309.22073	8.5
319.20474	11.0
337.21555	100.0
355.22583	87.3
356.23309	1.4
373.23633	59.3
374.23825	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93557	1.1
52.19705	0.9
55.05498	6.5
60.04512	20.2
65.03909	1.4
67.05487	22.2
69.03402	2.6
69.07050	4.8
77.03870	1.2
78.17839	1.0
79.05046	1.5
79.05471	22.3
81.07040	28.8
83.08602	5.8
85.02875	2.3
91.05452	32.1
91.05997	1.5
93.07019	35.9
95.04949	5.1
95.08584	22.1
97.06494	1.9
103.05433	2.2
105.07011	50.5
107.04938	1.9
107.08574	29.1
109.06506	5.7
109.10137	16.5
110.10561	1.0
111.04419	6.3
111.08117	1.3
115.05436	2.6
116.06227	1.4
117.06989	17.1
119.08566	36.0
121.06475	4.5
121.10143	16.8
125.05947	1.4
125.09672	1.2
128.06174	5.9
129.06982	21.5
130.12340	1.1
131.08534	36.7
133.06461	1.9
133.10098	23.2
133.59424	1.2
135.04369	1.1
135.11684	12.0
141.06960	7.0
142.07765	7.0
143.08539	30.7
144.09267	1.5
145.06487	4.4
145.10109	28.0
147.08060	8.1
147.11664	21.3
149.05875	1.7
149.13235	7.4
153.05478	1.9
154.07643	1.7
155.08537	15.8
157.10120	21.6
159.08131	2.0
159.11664	31.6
161.05876	1.4
161.09605	1.5
161.13205	24.4
163.07489	4.9
165.06987	2.0
166.07741	5.1
167.08517	4.8
168.09303	2.6
169.10117	13.9
170.10921	1.6
171.08040	2.8
171.11636	11.2
173.09566	1.9
173.13228	8.8
175.07491	20.6
175.11185	2.3
175.14792	2.9
177.09036	5.7
181.10065	12.9
182.10823	1.8
183.07999	2.1
183.11655	22.1
185.09569	1.5
185.13232	7.9
187.07462	2.6
187.14821	5.0
189.09103	7.7
189.16304	2.7
191.10574	1.4
193.10104	5.1
195.11659	10.6
196.12415	1.3
197.13210	11.0
197.75177	1.2
199.11125	2.5
199.14844	9.1
201.09120	2.7
201.12755	2.4
201.16425	1.4
203.10591	4.4
207.11752	1.9
209.09572	6.1
209.13214	12.9
210.65102	1.2
211.11145	9.1
211.14777	7.0
213.12657	1.9
213.16353	5.3
215.10638	2.3
215.17828	8.5
217.12198	2.7
221.13229	2.5
223.11157	2.9
223.14799	4.4
225.16295	2.6
227.10628	17.2
229.12180	17.9
235.14729	6.1
237.12680	2.3
241.12187	5.6
243.13756	5.8
247.13159	2.0
249.16356	2.3
251.17860	2.3
253.12344	1.5
253.19479	2.3
255.13701	9.7
257.15622	1.2
263.14313	1.7
277.19412	5.3
281.15308	2.1
291.21033	12.1
293.22412	1.4
295.16843	2.2
295.20386	1.6
301.19183	1.4
309.22046	8.1
319.20551	8.3
337.21530	95.5
355.22589	100.0
373.23645	75.1
374.19592	2.2
374.23920	21.9
386.64856	1.2
415.81958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.3
67.05487	16.7
69.07052	3.3
71.82581	1.6
79.05470	21.1
81.03394	2.5
81.07037	31.2
83.08586	7.0
85.02882	2.2
88.48011	2.0
91.05454	31.8
92.08557	1.6
92.09082	5.9
93.07025	30.6
95.04931	3.5
95.08571	25.5
105.06359	3.0
105.07010	50.0
107.04936	1.8
107.08581	32.1
109.06537	1.7
109.10134	10.9
115.05418	2.1
117.06953	13.7
119.08559	34.0
121.06467	3.1
121.10096	12.1
128.06198	3.6
129.06973	19.5
130.07722	2.3
131.08545	34.7
132.54854	1.8
133.10088	26.1
135.11667	12.2
141.06940	2.8
142.07758	9.5
143.08548	23.1
144.09389	2.0
145.06483	2.1
145.10115	26.8
147.07996	4.0
147.11646	25.4
149.13266	7.3
153.06876	3.0
155.08528	12.2
157.06468	2.8
157.10075	21.1
159.11655	26.9
161.05931	2.9
161.09689	1.8
161.13199	23.9
161.72070	1.8
163.07521	4.1
167.08530	4.1
168.09337	3.5
169.10115	11.5
169.80025	1.7
171.08005	4.2
171.11652	10.1
173.13176	7.5
175.07503	25.0
175.14821	3.5
179.08516	2.2
180.09216	2.3
181.10088	9.5
183.11630	21.7
185.09575	3.4
185.13164	9.7
187.14723	2.7
187.44734	1.9
189.09099	8.3
189.12692	2.0
193.10071	3.7
195.11665	8.1
197.13200	12.0
199.14867	9.0
201.12654	3.6
201.16374	2.5
203.10652	3.5
209.13246	10.2
211.11182	9.5
211.14705	4.2
213.12556	2.2
213.16235	3.4
215.10568	2.6
215.17888	3.2
217.12238	3.9
223.14729	2.5
227.10614	16.3
229.12178	18.8
235.14726	3.4
241.12210	9.2
243.13705	3.2
253.19409	3.1
255.13718	8.5
277.19424	3.5
281.15036	2.6
291.21082	8.5
309.21954	4.0
319.20401	12.6
337.21573	100.0
337.25696	3.3
355.22574	94.2
355.26962	3.1
373.23630	65.4
406.01059	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	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22735	0.5
52.68937	0.4
53.03951	0.5
53.30167	0.6
55.01865	2.2
55.05503	6.7
55.81053	0.5
59.04224	0.4
65.03921	1.0
67.05493	18.1
69.03414	2.9
69.07049	4.7
78.15541	0.5
78.92839	0.5
79.05474	24.2
81.03407	0.6
81.07036	28.4
83.01334	0.6
83.04964	0.9
83.08620	4.7
85.02875	3.9
85.06529	0.7
91.05459	34.7
92.08714	1.1
93.07021	33.9
95.04931	4.6
95.08580	21.6
97.06513	1.3
97.10164	0.8
103.05460	0.8
105.07014	47.5
107.04971	2.8
107.08577	31.8
107.09290	1.2
109.06503	2.8
109.10143	13.1
110.36987	0.5
111.08092	0.9
115.05447	3.7
116.06229	3.0
117.06998	17.7
119.04929	1.1
119.08562	34.7
121.06478	3.7
121.10122	14.0
123.04440	0.7
123.08070	1.1
123.11703	0.7
125.05976	2.3
128.06207	7.8
129.06978	20.6
130.07793	1.2
131.08546	32.5
132.09416	0.6
133.06474	3.6
133.10107	24.4
135.08034	1.4
135.11662	13.3
137.05971	1.3
139.03943	0.7
139.07584	1.0
141.05396	0.7
141.06961	6.9
142.07773	6.0
143.08546	25.1
144.09328	2.9
145.06451	4.1
145.10107	24.5
145.11220	1.1
147.04347	0.9
147.08054	7.2
147.11667	25.2
149.05956	2.6
149.09608	0.8
149.13252	7.0
153.05453	0.7
153.06992	1.3
154.07788	1.2
155.08521	15.8
156.09309	2.9
157.06450	4.8
157.10089	18.4
158.07349	0.8
158.10812	0.9
159.08046	2.9
159.11667	26.1
159.12920	1.1
161.05966	1.2
161.09602	2.4
161.13223	23.0
163.07506	5.8
163.14839	0.7
165.06961	2.7
166.07716	2.3
167.07167	1.6
167.08572	5.7
168.09270	4.2
169.10085	14.0
170.10915	1.0
171.08061	3.3
171.11647	13.7
173.05975	0.8
173.09622	3.7
173.13220	8.1
175.07507	23.5
175.11089	0.7
175.14706	4.0
176.08261	0.8
177.09103	3.5
179.08578	2.7
180.09280	2.1
181.04982	1.0
181.10077	12.3
182.10889	2.3
183.08031	1.2
183.11670	19.5
184.12440	0.9
185.09613	3.6
185.13216	9.7
187.07477	5.1
187.11183	3.2
187.14798	6.6
189.09050	8.2
189.16451	1.1
192.09264	0.6
193.08546	2.2
193.10139	4.0
194.10866	0.8
195.07968	0.7
195.11668	8.9
196.12514	0.8
197.09616	3.3
197.13216	9.1
199.11148	2.9
199.14777	8.0
200.15646	0.8
201.09077	3.4
201.12845	2.7
201.16400	3.2
203.10591	5.2
205.12189	0.6
207.10027	0.9
207.11700	2.6
209.09662	5.3
209.13243	9.6
211.11172	9.5
211.14798	6.7
213.09113	2.2
213.12729	2.5
213.16354	5.2
215.10667	4.2
215.14136	0.6
215.17918	7.1
217.12202	2.2
217.15851	0.8
219.11703	1.2
221.13286	5.3
223.11095	2.6
223.14735	3.9
225.12675	2.0
225.16371	3.1
227.10614	17.0
227.14128	0.9
229.12183	19.6
231.13751	2.1
231.17451	2.2
232.18091	0.9
235.14871	5.6
237.12645	3.4
237.16374	2.6
239.17979	1.0
241.12204	6.9
243.13750	6.9
247.13274	2.8
249.12587	1.0
249.16393	3.6
251.14250	1.4
251.18001	2.9
253.19484	6.8
253.37439	0.6
255.13702	8.0
257.15506	0.9
261.16498	0.7
263.14090	0.8
263.17856	1.2
265.36560	0.7
267.13776	1.1
271.16681	0.7
275.18030	0.8
277.16211	0.8
277.19189	4.2
281.15292	5.0
281.22821	0.7
291.20990	10.6
293.22693	0.8
295.16913	2.9
295.20349	0.7
301.19519	1.1
309.21991	7.3
319.20529	11.3
322.19223	1.0
327.23135	1.0
337.21555	100.0
355.22592	88.1
373.23654	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	433.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.01838	1.1
55.05490	5.5
55.68041	0.8
57.07588	0.8
62.44445	0.8
67.05485	15.3
69.07043	1.5
75.14522	0.8
79.05468	31.9
81.07034	24.9
83.04962	0.9
83.08560	2.2
85.02865	4.5
88.94987	0.8
91.05457	34.0
91.94478	0.9
92.09132	3.2
93.07022	33.1
95.04932	5.3
95.08576	20.6
97.06498	1.3
100.21479	0.9
105.07007	41.8
107.08569	39.5
109.06503	4.6
109.10146	7.3
115.05406	1.2
117.06977	12.7
119.04887	1.0
119.06039	0.8
119.08555	30.8
120.53028	0.9
121.06484	3.7
121.10134	13.2
123.04369	1.7
123.08041	1.4
123.11594	1.4
125.05975	3.4
128.06169	5.8
129.06976	22.9
130.07774	1.9
131.08527	31.2
133.06465	2.0
133.10100	21.2
135.11650	8.9
137.05934	2.1
139.07500	1.8
141.05455	1.6
141.06950	5.5
142.07742	5.5
143.08531	25.2
144.09297	1.7
145.06433	2.0
145.10101	28.3
147.08061	6.6
147.11667	16.9
149.05981	1.9
149.13181	6.8
153.06956	1.5
154.07759	1.4
155.08537	15.6
156.09338	4.0
157.06483	2.1
157.10104	20.2
159.08049	4.4
159.11647	23.3
161.05965	1.3
161.13206	12.7
163.07509	3.9
163.11084	1.9
166.07732	1.0
167.08508	6.7
168.09290	5.2
169.10095	17.2
170.10820	1.3
171.08047	5.2
171.11636	12.8
173.09628	1.5
173.13197	7.3
175.07512	22.0
175.14812	1.5
177.09045	1.1
179.08464	1.6
179.48410	1.1
180.09271	2.0
181.10077	9.1
182.10841	3.5
183.08017	1.5
183.11644	18.5
185.09543	1.6
185.13173	11.2
187.07477	5.5
187.11148	1.3
187.14774	7.6
189.09108	6.9
193.10130	1.6
194.10832	1.0
195.11606	7.3
196.12436	1.2
197.09526	1.7
197.13219	15.6
199.11111	1.7
199.14799	8.8
201.09085	4.7
201.12738	1.9
201.16440	1.8
203.10716	3.3
207.09958	1.2
207.11751	2.2
209.13199	8.6
211.11244	6.4
211.14822	3.7
213.09082	1.0
213.12712	3.9
213.16342	3.7
215.10617	4.2
215.14305	1.1
215.17928	6.3
217.12227	3.3
221.13184	1.6
223.11115	1.6
223.14772	3.7
225.12601	6.3
225.16371	1.4
227.10674	5.1
229.12227	14.5
229.15858	0.9
231.13742	3.7
232.18170	1.6
233.13255	1.0
235.14760	5.1
237.12764	1.0
241.12215	8.1
243.13745	17.0
247.13049	1.0
249.16360	4.0
251.17944	1.4
253.19432	3.5
255.13760	4.6
257.15302	1.1
261.14743	1.4
269.15417	1.1
277.19351	4.7
281.15363	1.4
291.20941	6.9
295.17041	1.1
295.20541	1.1
301.19299	1.8
309.21979	3.9
319.20474	9.3
327.23053	1.6
337.21545	48.5
355.22580	100.0
373.23624	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
67.05496	18.9
69.07025	3.8
79.05479	24.1
81.07044	31.5
83.08610	3.7
84.17210	2.4
85.02898	2.9
91.05474	27.4
93.07021	32.8
95.08591	14.1
105.07005	50.3
107.08584	31.0
109.10141	18.1
117.06989	18.1
119.08544	28.5
120.26443	2.5
121.10141	16.9
128.06200	8.9
129.06982	13.4
130.07742	2.9
131.08542	27.4
133.10141	20.9
135.11664	14.3
141.05542	2.6
141.06917	3.6
142.07716	4.0
143.08530	24.9
145.10089	24.5
147.08037	5.1
147.11678	24.1
149.13248	5.5
155.08572	20.4
157.06415	3.4
157.10104	21.9
159.11650	21.9
161.13252	24.0
167.08427	4.4
169.10097	9.9
170.24753	2.4
171.11655	5.6
173.13184	3.2
175.07527	22.3
175.14812	3.7
181.10101	14.3
182.10739	3.2
183.11636	20.5
185.09654	4.7
185.13255	9.7
187.07460	3.1
187.14819	2.7
189.09061	4.4
193.10107	3.5
195.11653	5.2
197.13268	4.4
199.14757	10.0
201.12755	2.6
203.10637	4.1
207.09866	2.4
209.09442	2.4
209.13193	5.3
211.11096	2.8
211.14893	2.8
215.10623	3.5
217.12329	2.5
223.14793	4.4
227.10582	17.3
229.12231	17.9
235.15282	2.2
237.12846	2.4
241.12190	4.5
243.13660	5.4
253.19446	4.6
255.13779	5.0
257.49701	2.4
264.84903	2.4
277.19278	3.9
291.21100	9.5
309.21906	2.9
319.20480	11.4
337.21542	100.0
337.25711	4.3
350.18881	2.3
355.22598	73.1
361.19708	2.7
373.23663	64.3
450.52917	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.1
65.14952	1.3
67.05497	17.1
69.07043	3.0
69.16895	1.2
69.42514	1.2
78.47478	1.6
79.05479	26.4
81.07041	32.4
83.08592	6.1
85.02879	6.1
91.05462	37.5
92.09317	3.3
93.07026	35.9
95.04926	3.1
95.08587	19.5
97.06566	1.5
105.06355	2.9
105.07012	57.8
106.66124	1.6
107.04935	2.7
107.08572	33.8
109.06513	3.7
109.10124	17.6
115.05460	3.3
116.06242	1.8
117.06982	16.6
119.08566	38.9
121.02818	1.7
121.06480	3.6
121.10111	16.7
125.05976	1.7
128.06212	8.4
129.06984	23.4
130.07651	2.0
131.08554	35.0
133.06482	1.7
133.10107	29.6
135.04485	1.6
135.08040	1.8
135.11693	14.1
137.05905	1.9
139.07544	3.0
141.06943	7.5
142.07727	7.8
143.08528	31.0
144.09334	2.2
145.06505	3.8
145.10117	28.8
147.08052	7.9
147.11649	25.4
149.05934	2.5
149.13257	8.2
155.08533	16.2
156.09340	2.1
157.06482	2.7
157.10095	22.8
159.07997	6.5
159.11652	33.0
161.06003	1.8
161.13205	25.4
163.07495	3.0
165.06935	1.8
167.08554	7.4
168.09326	7.2
169.10065	15.6
171.07999	3.4
171.11694	12.8
173.09596	2.7
173.13222	9.3
175.07530	26.3
175.14790	2.7
177.09138	2.5
181.10037	12.0
183.07991	2.3
183.11670	23.6
185.09557	2.6
185.13202	12.3
187.07509	2.2
187.11084	2.0
187.14769	7.3
189.09081	9.2
191.10663	1.9
193.10080	2.5
195.11624	8.4
196.08826	1.7
197.09508	2.3
197.13206	11.0
199.11028	2.0
199.14757	8.6
201.09105	2.2
201.12715	2.6
201.16275	2.4
203.10651	2.1
203.14009	1.6
207.11649	2.1
209.09659	7.5
209.13213	8.1
211.11171	6.2
211.14769	6.8
213.09032	1.7
213.12721	1.7
213.16333	5.8
215.17953	7.8
221.13268	7.1
223.14755	3.4
225.12598	1.7
227.10622	16.6
229.12131	17.5
235.14780	6.3
237.16248	2.5
241.12183	9.3
243.13791	6.5
249.16234	2.7
251.17926	2.8
253.19376	3.7
255.13780	10.0
277.19412	3.1
281.15326	3.4
291.21054	11.3
295.20551	1.8
309.22110	11.0
319.20502	13.3
337.21564	95.2
355.22604	100.0
373.23645	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.1
67.05489	18.3
69.07049	3.3
79.05463	23.0
81.07047	27.4
83.08604	6.7
85.02870	2.4
86.47041	1.6
91.05451	32.1
92.08664	6.8
93.07011	31.0
95.04949	2.5
95.08582	17.7
101.30764	1.5
103.05420	1.7
105.07011	47.1
107.08580	32.8
109.10133	15.9
111.32593	1.6
115.05436	3.2
117.06960	13.1
119.08554	39.8
121.06487	3.2
121.10088	12.5
128.06163	6.9
129.06963	19.3
130.07727	2.9
131.08539	30.1
133.06422	2.1
133.10095	24.0
135.11671	10.4
139.07529	1.8
141.06956	7.1
142.07787	4.1
143.08554	29.1
144.09309	1.9
145.06421	2.4
145.10077	27.2
147.08044	7.7
147.11674	26.5
149.13234	8.1
154.07837	1.7
155.08565	14.7
156.09271	2.1
157.06497	6.9
157.10042	17.3
159.07988	2.4
159.11690	26.3
161.09454	1.9
161.13203	24.4
163.07541	2.0
165.06937	2.6
167.08513	6.9
168.09297	4.1
169.10101	9.6
170.10901	1.7
171.11647	11.4
173.13203	8.1
175.07498	27.3
175.14853	1.8
177.09061	2.1
179.08504	2.5
180.09288	2.4
181.10197	12.0
182.10838	2.0
183.08011	2.6
183.11693	18.3
185.09576	2.2
185.13222	7.4
187.14734	2.1
189.09096	9.0
191.10632	2.0
193.10126	3.7
194.10744	1.9
195.11679	11.4
197.09561	2.4
197.13202	8.9
199.07527	2.1
199.11209	2.3
199.14749	9.0
201.12759	1.8
201.16408	2.6
207.11766	2.3
209.09575	6.8
209.13196	10.4
211.11198	7.2
211.14680	3.9
213.09023	1.8
215.10675	3.4
215.14430	2.0
215.17921	10.8
217.12262	2.5
221.13242	6.8
223.14856	2.8
227.10553	17.0
227.63344	1.8
229.12134	18.2
235.14784	3.9
237.12634	2.4
241.12234	7.6
243.13733	7.9
247.13145	2.2
251.17793	2.4
253.19554	2.6
255.13808	8.8
277.19415	3.8
281.15210	2.7
291.20990	8.7
295.16803	2.3
309.22009	9.5
319.20477	12.4
337.21521	100.0
337.25577	3.2
355.18405	3.8
355.22586	88.3
373.23615	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2347
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.00280	0.8
53.03934	1.4
55.05506	15.8
57.03428	13.4
57.07061	3.5
64.25954	0.8
64.41747	0.7
65.03916	2.0
67.05492	76.9
69.07052	15.0
71.04955	0.9
77.39068	0.8
79.05473	35.8
81.03384	1.0
81.07039	74.0
83.04948	0.9
83.08595	11.5
85.06520	1.2
87.88084	0.8
91.05462	33.7
92.08659	0.9
92.63692	0.9
93.07024	42.6
95.04925	4.5
95.08585	74.0
97.06526	1.2
97.10140	4.7
98.98446	53.0
105.07004	14.6
107.08578	26.0
109.06498	1.2
109.10136	29.5
111.08059	4.3
117.07008	5.2
119.04916	34.6
119.08553	16.9
120.08773	0.9
121.10114	25.2
123.08033	1.2
123.11681	14.0
124.39594	0.8
131.08527	9.0
133.10083	12.5
135.11687	14.1
137.09584	1.8
137.13264	4.0
139.11160	0.9
142.66075	0.9
145.10118	8.0
147.04387	100.0
147.11653	5.2
149.09596	1.4
149.13232	7.6
151.11160	1.8
155.01041	5.2
159.11722	8.0
161.13251	4.5
163.14754	4.8
165.05438	7.8
173.02078	4.0
173.13208	5.3
175.14798	1.5
177.12660	1.1
177.16283	1.1
187.14706	1.5
201.16406	1.2
205.19559	0.9
215.17880	7.6
233.18980	5.7
243.21072	4.2
251.20071	11.0
261.22089	17.3
273.16217	0.9
317.24551	1.5
335.25732	49.4
335.29782	1.8
397.23724	1.0
433.33081	1.2
440.19501	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	433.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.5
59.04986	1.5
64.33121	0.4
69.03410	1.7
85.02904	2.0
86.09686	0.4
87.04461	0.4
89.06039	0.5
93.73228	0.4
97.02886	0.7
115.03906	0.7
121.08588	2.0
122.08898	0.4
137.06024	0.5
247.05067	0.4
259.07913	2.3
271.11597	2.3
401.14148	2.5
416.88269	0.4
433.16742	100.0
434.17096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14197	0.3
69.03402	0.6
72.08147	0.5
73.02896	0.5
81.06984	0.3
83.01933	0.3
85.02879	1.5
86.09689	0.6
90.54877	0.4
92.09045	0.7
93.07042	0.4
95.04986	0.4
99.09956	0.4
116.35304	0.4
125.05949	0.8
137.05933	2.8
138.06302	0.6
139.06519	0.6
147.04390	0.5
151.03880	3.3
271.11478	8.9
335.09457	0.4
401.14136	1.3
433.16690	100.0
434.17169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1702
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
53.00276	0.9
53.03929	2.4
55.01859	2.5
56.96547	1.4
57.03172	1.5
57.03427	25.9
59.04978	4.4
61.02924	13.2
69.03417	71.7
69.04530	1.9
71.01299	1.0
71.04969	2.5
73.02879	5.1
75.04453	2.1
77.88480	1.1
79.05454	2.0
81.03401	11.2
83.01328	1.3
83.63541	1.0
85.02891	100.0
87.04455	32.2
91.03931	4.4
91.05454	9.2
93.07030	1.6
95.04942	1.6
97.02258	2.0
97.02868	48.6
97.14115	1.2
98.97522	1.4
99.04406	6.5
103.03918	1.9
103.05441	20.0
105.03366	2.4
105.06991	5.2
109.02864	8.5
111.04369	1.3
115.03902	27.6
115.05424	2.1
117.06995	23.0
121.02800	1.5
121.06463	21.8
127.03895	23.1
129.06961	1.5
133.04945	25.3
133.10155	1.2
137.06001	1.6
139.08656	15.7
145.04915	23.3
145.06441	16.1
147.04358	4.4
153.05472	1.3
163.03864	6.1
163.05956	7.8
181.05022	1.6
187.07545	1.4
199.14760	1.3
205.08586	1.6
241.49324	1.1
243.75414	1.0
247.09718	1.3
265.10602	4.6
277.08990	1.2
371.16562	4.5
375.91327	1.1
433.16522	9.9
459.37161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38564	0.8
55.01863	1.1
57.03434	19.7
59.04985	4.3
61.02914	0.9
62.54647	0.9
64.93560	0.9
69.03420	56.4
73.21346	0.8
73.88424	1.0
75.04459	3.8
81.03399	1.3
81.76244	0.9
82.54146	0.9
82.62775	1.0
85.02891	42.9
87.04450	32.8
92.09099	5.6
97.02870	38.9
111.04436	1.0
115.03914	36.7
127.03900	3.5
133.04951	35.4
145.04997	4.6
150.07568	3.7
174.68820	1.1
186.72382	1.1
191.27451	1.1
196.19467	1.0
216.13808	0.9
241.07014	1.0
259.08292	1.2
277.09207	1.2
295.10263	1.2
301.12497	2.3
369.98416	1.0
410.57169	1.0
425.74789	1.0
433.16742	100.0
434.17136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60257	0.4
50.92943	0.4
53.03931	1.0
55.01861	0.8
59.46711	0.3
65.03641	0.5
65.03926	8.7
67.05493	4.5
68.24702	0.4
69.03397	2.6
71.04948	0.4
72.09329	0.4
76.70175	0.4
79.05470	10.0
81.03394	0.8
81.07043	2.0
82.04216	3.4
83.04967	0.7
85.02888	6.7
86.09689	0.8
89.03852	0.8
89.06003	0.6
91.05447	2.6
93.03358	2.0
95.04933	9.4
95.08611	0.5
97.02866	0.9
97.06493	4.2
101.05989	0.5
105.03358	0.6
105.04479	0.5
105.06386	0.4
105.07026	9.6
105.07695	0.7
105.08012	0.5
107.04935	18.7
107.08596	0.6
108.02068	1.1
110.03632	4.3
111.04409	2.7
115.05421	2.3
117.03345	2.9
117.64049	0.5
118.03684	0.7
119.04938	0.5
121.02822	0.7
121.06487	0.8
123.04409	6.9
124.05209	3.4
125.05965	4.4
125.09475	0.5
131.04909	1.9
133.06459	12.3
137.05920	2.6
138.03062	3.0
140.04669	1.8
142.02556	3.3
145.02838	10.1
145.06516	0.8
146.03156	4.9
147.04372	0.6
147.07635	0.6
149.05975	1.8
152.04651	1.1
153.05420	3.5
155.07042	1.7
161.05946	13.0
167.07007	17.4
171.06503	10.1
177.05443	12.4
178.05766	7.0
181.04921	100.0
183.06468	0.7
189.05476	1.1
193.08574	16.8
193.10301	0.7
206.05588	1.0
207.06589	0.7
221.08032	23.6
233.08138	0.7
249.07533	7.0
263.06799	0.5
317.08264	2.5
342.10590	0.6
372.11960	1.0
376.58328	0.5
403.13782	44.4
433.16275	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78281	0.5
53.03936	1.2
55.01873	0.7
55.05503	12.0
57.03428	1.6
59.04729	1.0
59.04982	7.8
64.37006	0.6
65.03930	1.2
67.05489	2.8
69.03414	9.4
71.04980	0.6
72.08133	3.5
75.30444	0.6
76.56248	0.7
79.05480	4.7
81.03396	8.6
81.05777	1.0
81.07040	1.0
83.04966	15.2
83.08588	5.1
84.08945	1.3
85.02900	13.2
86.09681	5.9
87.04479	1.0
92.04976	5.4
95.04964	1.6
95.69119	0.7
96.08109	6.8
97.02888	9.4
99.04430	1.7
101.09686	1.2
106.05822	1.5
106.06543	47.3
108.08102	50.9
109.02873	6.0
110.05965	0.9
119.10703	1.8
122.06007	1.0
123.06796	7.5
124.07574	34.9
124.08459	1.4
127.03903	6.6
134.05995	30.6
136.07549	9.3
137.05962	2.9
137.08308	1.0
145.02863	1.1
145.05028	1.1
147.04411	0.9
148.03893	0.9
150.05429	1.6
152.07043	100.0
154.08604	1.1
160.07594	0.8
163.03874	3.8
166.04980	1.8
170.08090	41.5
172.11263	1.2
174.09099	6.1
184.05984	1.0
187.06094	1.1
188.10735	3.0
216.10048	1.3
227.09062	1.5
234.11299	3.7
235.09581	0.9
269.52948	0.8
314.12463	1.1
336.14456	0.9
365.43689	0.8
378.15424	1.6
396.16412	6.8
414.17438	11.1
432.18622	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18956	1.5
53.03930	1.4
55.05494	2.1
58.30829	1.5
60.04516	100.0
60.25683	1.5
67.05490	12.9
69.07016	2.8
69.28111	1.7
69.69276	1.8
74.20543	1.6
79.05486	18.9
81.07037	26.3
83.08578	2.6
91.05463	18.1
93.07022	22.3
95.08593	18.2
97.10146	1.9
105.07012	19.8
106.28316	1.9
107.04890	2.6
107.08574	30.4
109.06526	2.4
109.10130	7.9
116.00217	1.9
117.07016	4.5
119.08527	16.3
120.59439	1.8
121.10116	12.7
125.05988	19.4
129.06917	2.7
131.08524	13.8
133.10114	12.6
135.08078	2.6
135.11700	7.6
143.08543	10.7
143.96404	2.1
145.10127	16.4
147.11636	15.3
149.13243	2.0
153.05450	14.6
155.08487	3.2
157.10117	13.2
159.11638	18.9
161.09598	2.5
161.13248	8.3
169.10139	7.1
171.11693	4.4
173.13313	3.8
175.14793	6.8
181.10005	3.1
183.11633	9.8
185.13194	8.9
187.14717	3.5
195.11659	8.4
197.13257	4.2
199.14859	7.0
201.12773	2.8
201.16411	6.7
209.13147	3.2
211.14815	2.0
213.16470	2.3
215.18001	2.1
223.14790	1.9
225.12651	1.8
229.12192	4.0
231.13655	2.2
235.14789	2.3
241.12189	2.3
243.13737	2.8
250.64449	2.1
277.19397	4.0
281.15271	2.3
291.21103	8.3
302.25641	1.7
309.21902	7.2
319.20517	3.5
337.21616	30.6
355.22592	40.8
373.23666	97.2
373.28400	3.9
374.23489	2.2
422.36148	1.8
432.26743	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	432.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
51.70864	0.2
53.03939	2.5
55.01865	0.3
55.72252	0.3
57.03419	1.3
59.04996	0.3
67.66037	0.3
69.03416	3.7
71.04970	1.2
72.08125	0.5
73.02900	0.6
77.03902	0.4
78.04682	0.3
79.05471	1.9
81.03395	12.4
85.02883	10.5
86.09667	0.3
87.04434	1.1
89.03886	3.9
91.05455	5.0
93.07032	0.4
95.04935	3.5
97.02863	3.6
99.04423	1.9
105.03368	52.9
105.04522	1.4
105.06973	0.3
108.04453	0.3
109.02853	6.2
117.03352	18.9
119.04912	18.1
123.04398	3.4
127.03876	3.8
131.03394	1.8
134.03632	1.2
135.04370	1.3
137.05923	0.6
145.02821	66.2
145.04900	2.9
147.04381	88.3
148.04750	0.3
149.05945	8.9
151.52367	0.3
163.03859	0.4
165.05424	2.5
172.51151	0.3
177.05426	100.0
178.05789	0.3
186.05476	0.4
195.06499	1.4
211.05861	0.4
223.28371	0.3
235.05890	1.9
249.07391	0.6
267.08701	0.5
274.46594	0.4
275.07431	0.5
291.08539	2.2
299.96725	0.3
309.09634	3.6
321.09622	4.1
339.10669	5.8
361.08813	0.3
379.10202	0.5
397.11215	1.2
432.22510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44638	0.9
53.00303	1.5
55.01864	1.3
57.03141	1.2
57.03425	37.2
59.04992	8.0
59.15927	0.9
60.04515	2.2
61.02908	4.9
61.44158	0.9
67.05492	1.3
69.03414	100.0
70.06570	1.1
71.04978	1.2
73.02906	1.5
75.04460	6.5
79.05482	1.2
81.03395	2.7
81.07043	1.6
81.64353	1.0
83.87942	1.0
85.02892	73.9
86.09679	1.4
87.04450	70.3
91.05446	2.6
92.09217	1.3
93.07022	2.0
95.04954	2.3
95.08585	1.4
97.02867	61.6
102.17811	1.2
105.07012	2.4
107.04935	5.0
109.02887	2.5
111.04404	1.6
115.03906	70.3
117.07014	1.2
121.01806	1.1
121.06475	38.5
121.10125	1.4
123.04462	1.2
125.25327	1.1
127.03902	5.5
131.08524	2.4
133.04936	63.6
133.06523	5.0
133.10110	1.5
145.04990	4.4
145.06485	5.9
145.10030	1.2
147.04402	1.9
147.07996	1.2
150.07562	10.5
159.11656	1.2
163.07478	2.3
171.07985	1.4
183.03091	1.1
199.14693	1.4
217.15678	1.0
259.08102	2.1
264.76144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.8
53.41389	2.9
55.01858	9.4
55.05496	17.3
56.96545	5.8
57.07058	3.1
60.04498	8.7
67.05480	27.7
69.03396	25.6
69.07045	33.4
71.04973	5.3
74.87360	3.2
79.05469	35.7
81.07037	49.8
83.08597	16.0
84.08978	3.9
91.05450	23.2
92.05783	3.9
93.07016	56.5
95.04961	4.7
95.08600	46.1
97.06519	100.0
97.10135	4.6
105.06988	34.4
106.10550	4.0
107.08568	48.4
109.06492	24.9
109.10110	20.5
111.08017	5.3
119.08556	41.7
121.06462	6.5
121.10106	49.8
123.08014	8.6
123.11610	4.8
125.05969	17.8
129.06989	4.4
131.08521	22.8
133.06476	17.6
133.10100	32.5
135.11655	27.2
137.09566	5.3
139.07477	26.6
143.06993	6.3
143.08546	6.4
145.10089	30.4
147.04417	6.4
147.11670	29.7
149.09586	6.4
157.10132	5.6
159.11632	20.3
161.13211	16.1
171.11652	10.1
173.13261	15.1
175.07515	8.5
175.14719	5.2
176.07935	5.8
185.13191	6.8
187.14780	6.1
189.16360	5.4
201.16214	17.0
203.17914	7.8
205.12169	58.1
213.07893	8.9
229.07478	26.6
231.09076	9.6
247.08409	16.5
249.18375	7.5
251.05600	6.3
255.21056	17.4
257.22577	8.6
349.16412	7.1
367.17801	14.9
371.14835	20.6
371.21982	15.4
372.22385	68.0
377.27411	7.4
395.29428	30.3
402.74527	4.2
413.30255	23.0
431.31305	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	432.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16485	0.3
53.03941	2.6
54.81919	0.3
55.01866	0.4
57.03427	1.4
63.02361	0.4
65.03938	0.4
65.86494	0.3
66.51613	0.3
67.05545	0.3
67.42360	0.3
69.03414	4.0
71.04988	0.5
73.02922	0.5
77.03939	0.3
79.05475	1.4
81.03397	9.8
81.07073	0.3
85.02888	9.8
87.04437	0.5
89.03896	4.5
91.05458	5.0
91.96615	0.3
95.04942	2.5
97.02869	3.5
99.04430	2.5
103.03891	0.3
105.03374	48.6
109.02859	5.7
117.03358	22.2
119.04919	18.2
119.08552	0.3
123.04404	3.5
127.03899	4.4
131.03391	1.4
134.03575	1.1
135.04393	1.5
145.02829	68.5
145.04865	2.3
147.04388	93.7
149.04764	0.4
149.05951	8.6
163.03882	0.6
165.05441	3.4
177.05431	100.0
178.05780	0.4
195.06462	1.3
235.05836	1.4
249.07417	0.5
267.08389	1.1
275.07468	0.3
291.08557	3.5
309.09637	4.5
321.09610	4.5
339.10675	6.2
379.09976	0.6
397.10770	0.6
449.45395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.5
55.01854	1.3
55.05511	2.8
55.97953	1.6
57.07054	7.8
67.05493	12.2
69.07055	36.4
79.05479	5.8
81.07030	16.4
83.01318	3.1
83.08597	1.8
85.06583	1.9
91.05466	3.4
93.07010	11.5
95.08580	10.6
105.06989	2.8
107.08584	12.8
109.06487	3.9
109.10140	6.6
111.26972	1.6
119.08556	2.4
121.06510	2.1
121.10100	3.7
123.11684	23.7
131.08545	3.9
135.08051	8.1
135.11674	9.6
137.05943	3.6
149.09622	6.2
151.07579	3.5
152.45049	1.7
153.05458	6.4
159.08034	7.0
162.06778	3.0
163.07513	15.4
164.95775	1.6
165.05440	100.0
167.06985	3.5
177.09091	22.9
179.07016	2.5
187.07498	8.3
203.06934	2.1
205.08563	82.2
219.10236	2.0
221.11682	26.7
223.09622	83.7
237.11218	1.7
279.23050	2.1
287.16318	23.0
291.15808	6.1
305.17499	1.9
343.22733	3.0
345.20474	38.3
357.20322	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2787
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
53.00294	1.2
53.87837	0.6
54.81820	0.6
55.01846	0.6
63.83854	0.5
67.05507	0.7
69.07050	27.4
70.83000	0.5
79.05462	1.1
81.07031	4.7
83.01307	5.8
91.05446	2.0
92.09267	1.0
93.07005	5.6
95.08580	0.9
107.08575	6.6
109.02879	1.0
109.06491	3.2
113.05966	1.0
120.97112	0.5
121.06505	4.2
121.07225	0.6
121.10089	1.3
123.11677	9.9
127.03861	0.7
131.08504	1.3
133.10161	0.7
135.08040	6.7
135.11647	6.9
137.05971	4.6
149.05986	0.8
149.09604	7.2
153.05428	4.8
159.08023	8.1
162.06721	9.0
163.06235	0.8
163.07521	13.5
165.05434	93.9
177.09077	23.4
187.07561	6.9
190.06189	0.6
193.08620	1.0
203.07066	0.8
205.08566	100.0
221.08304	0.9
221.11699	30.8
223.09605	93.8
287.16376	22.8
291.15875	6.6
305.17377	0.7
308.38901	0.6
338.96271	0.6
343.22601	1.3
345.20502	22.5
357.20447	2.6
363.21280	0.7
413.26511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.2
59.02306	2.4
59.33263	2.5
62.94386	2.4
67.05485	28.5
69.03406	3.1
69.07063	12.9
70.07401	2.6
76.78658	2.4
79.05472	40.3
81.07037	55.0
83.01342	2.5
83.04967	3.0
83.08588	5.7
84.80423	2.6
89.77209	2.4
91.05457	35.8
92.94717	2.9
93.07017	57.9
95.04939	11.7
95.08595	35.4
97.06503	4.5
105.07009	70.5
107.08579	60.6
109.06499	6.7
109.10162	14.5
111.04366	4.3
113.92295	2.5
117.07018	25.2
119.08554	34.6
121.02837	5.5
121.06495	5.2
121.10123	27.7
123.04430	3.2
123.08069	3.4
125.05966	11.3
128.06213	10.4
128.10802	3.2
129.06981	17.1
131.08549	43.0
133.10091	31.7
135.11598	6.3
141.06969	5.6
142.07764	4.6
143.08546	30.5
145.06479	4.7
145.10110	44.1
147.08076	4.9
147.11600	22.7
149.13220	3.6
151.07487	4.1
153.06921	4.6
154.07806	3.3
155.08530	16.8
156.09283	4.2
157.10117	30.7
159.08008	3.4
159.11627	35.1
161.09515	4.0
161.13182	19.9
165.06982	4.7
166.07791	4.0
167.08517	7.0
169.10147	18.5
171.11639	23.4
173.13248	32.2
175.07570	4.5
175.14803	12.9
181.10063	15.6
183.11652	14.7
185.09668	3.7
185.13174	15.3
187.11150	4.0
187.14824	3.3
193.10101	6.8
195.11639	14.4
197.09613	3.6
197.13193	12.3
199.11252	3.4
199.14827	3.8
201.16380	19.1
207.11717	5.9
211.14827	3.9
213.16322	4.2
215.10667	4.0
221.13280	12.6
227.10669	10.5
227.17923	17.2
229.12227	5.0
233.13312	4.4
241.12274	3.7
251.17961	5.0
261.12756	3.2
261.16339	4.6
279.13892	3.6
293.15399	3.5
298.45789	3.2
307.20673	5.5
317.18890	5.6
325.21658	6.4
335.20013	38.2
337.41226	3.2
353.21011	100.0
371.22021	39.2
431.24091	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51910	0.5
53.03930	1.4
55.01848	2.7
55.05500	7.5
57.03425	0.6
59.04975	0.6
65.03911	3.3
67.05486	20.9
69.03400	3.4
69.07044	5.1
69.96974	0.6
71.04955	0.9
77.03901	0.7
79.05469	29.0
81.03383	3.1
81.07031	35.7
83.04959	1.1
83.08605	3.4
85.02880	1.4
85.06501	0.6
91.05456	30.9
92.08932	1.3
93.03445	0.7
93.07017	41.2
95.04945	10.0
95.08579	35.3
97.02858	0.8
97.06490	3.0
98.97543	0.8
103.05456	1.1
105.03353	2.6
105.04514	0.6
105.07005	55.0
107.04925	4.1
107.08569	33.7
109.02872	1.0
109.06478	7.1
109.10156	6.3
111.04411	3.9
111.08046	1.4
115.05449	3.0
116.01556	0.7
116.06221	0.9
117.06213	1.1
117.06989	18.1
119.04919	1.3
119.08556	30.8
121.02834	1.6
121.06453	4.5
121.10112	19.9
123.04404	3.7
123.08038	3.6
125.02312	3.5
125.05963	10.2
127.03902	1.4
128.06192	5.7
129.06967	20.0
130.07738	3.5
131.08533	39.8
133.06436	3.3
133.10092	20.6
135.04483	0.9
135.08011	2.8
135.11658	7.3
137.05962	1.4
137.09550	2.7
139.03842	1.2
141.05403	2.5
141.06976	8.9
142.07753	9.7
143.07396	1.0
143.08524	32.4
144.09296	2.8
145.06456	3.9
145.10098	35.2
147.06987	0.6
147.08009	4.8
147.11646	16.2
149.05952	3.7
149.09557	2.9
149.13226	1.6
151.03831	1.3
151.07463	2.9
151.11197	0.8
153.05435	6.8
153.06960	3.5
154.07724	1.1
155.08527	21.0
156.09305	3.9
157.06519	2.4
157.10083	23.9
158.10872	1.2
159.08028	4.2
159.11656	30.9
161.09575	3.3
161.13220	9.2
163.07457	1.6
163.11185	1.4
163.14882	0.6
165.05496	1.4
165.06950	5.9
166.07739	6.5
167.07104	1.0
167.08508	12.5
168.09271	6.6
169.06398	0.8
169.10088	17.3
171.08029	4.5
171.11644	20.3
173.09576	4.1
173.13202	15.1
175.07509	5.6
175.11185	1.1
175.14775	11.2
177.09029	1.1
177.12576	0.8
178.07735	3.1
179.07063	1.1
179.08476	6.6
180.09279	3.5
181.06393	0.7
181.10071	22.0
182.10878	3.2
183.08020	3.1
183.11662	16.5
184.08875	0.9
184.12349	1.2
185.09592	5.2
185.13214	13.7
187.07489	2.9
187.11157	1.1
187.14801	6.5
189.09059	2.8
189.16174	0.7
191.07005	1.2
191.08531	1.4
192.09329	3.2
193.08588	1.3
193.10095	9.3
194.10808	1.5
195.08005	1.2
195.11639	14.7
196.12343	1.2
197.09555	4.5
197.13249	9.4
198.13962	0.7
199.07512	0.7
199.11183	5.2
199.14786	8.8
201.09087	3.3
201.16348	13.3
203.06979	3.6
203.08688	0.9
203.10625	1.4
205.08369	0.7
205.10202	5.1
206.10829	2.5
207.08116	0.6
207.11661	9.2
209.09595	7.6
209.13182	10.2
210.13774	0.8
211.11147	5.8
211.14780	5.3
212.15623	0.7
213.09062	1.2
213.12788	0.9
213.16295	7.1
215.10632	3.8
215.14299	0.8
217.10161	2.0
217.12173	2.9
218.10808	2.7
219.08087	0.9
219.11633	4.4
219.17424	2.5
221.09633	1.0
221.13214	7.6
223.11151	4.1
223.14769	4.8
225.09044	3.7
225.12698	2.3
225.16301	2.4
227.10640	15.0
227.14238	1.0
227.17879	25.9
229.12166	4.2
229.15822	1.5
232.12427	1.3
233.13271	7.0
234.13782	0.7
235.11105	3.2
235.14748	6.3
237.02791	1.0
237.08992	0.8
237.12729	2.6
237.16312	3.0
239.10628	3.7
239.17975	0.9
241.12166	4.0
243.09914	0.7
243.13727	1.3
245.11421	1.1
245.13521	0.9
245.18890	2.8
247.11179	0.7
247.14917	5.5
248.15356	0.8
249.16359	4.2
251.10703	1.1
251.17921	4.8
253.12108	6.6
255.13649	3.1
257.15479	0.9
259.13098	1.0
261.12888	0.9
261.16266	4.5
263.17740	1.5
265.12146	1.5
265.15750	1.5
265.19434	1.1
267.13727	3.8
269.18945	1.4
271.20822	0.8
273.14523	0.7
274.16934	1.0
275.14822	0.7
275.17883	5.9
276.18402	0.8
279.13812	3.8
279.17441	0.7
279.20917	1.5
283.16806	1.5
289.16422	1.1
289.19452	8.9
291.20886	1.3
293.15271	2.5
293.18951	3.0
305.15393	1.0
305.18939	1.1
307.16827	2.9
307.20486	11.3
309.18613	0.7
309.21994	0.8
317.18893	6.2
325.21448	7.4
335.19955	40.5
343.22467	1.0
353.21008	100.0
354.20755	0.8
371.22058	39.1
371.26782	1.3
372.22617	0.9
413.23053	3.5
431.24216	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	431.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05508	11.0
64.71027	2.0
67.05489	29.2
69.03420	3.4
69.07061	11.8
72.21606	2.4
79.05474	32.3
81.07036	46.4
83.04951	3.6
83.08617	3.2
91.05463	32.0
93.07021	38.3
95.04945	13.3
95.08579	27.3
96.91038	2.3
97.06521	3.1
105.07014	60.9
107.08570	38.2
109.06506	5.3
109.10139	9.4
111.04404	2.8
111.08067	2.4
115.05472	2.9
115.69321	2.5
117.06983	21.8
119.08562	36.6
121.06467	5.6
121.10108	20.5
123.08045	3.5
125.05998	13.0
125.09583	2.8
128.06221	3.2
129.06970	20.5
131.08537	30.5
133.10133	26.5
135.08015	2.8
135.11636	4.9
141.07002	10.2
142.07747	4.7
143.08534	34.3
145.06471	2.6
145.10074	40.5
147.08046	2.5
147.11655	23.7
151.07538	4.9
153.05450	3.5
155.08513	24.4
157.10110	28.9
159.11652	31.3
161.09552	3.0
161.13231	10.2
165.06900	8.6
166.07735	2.5
167.08524	13.1
168.09299	5.1
169.10104	16.6
170.10805	3.0
171.11652	18.8
173.13274	15.1
175.07515	3.2
175.14833	10.8
178.07701	2.9
179.08563	5.7
180.09354	2.5
181.10063	23.1
182.10861	3.0
183.11713	18.0
185.13191	18.0
187.14804	5.1
189.09076	3.1
190.04135	2.3
193.10104	11.4
195.11655	11.4
197.13245	13.3
199.11115	3.7
199.14828	12.2
201.16400	11.5
203.10696	2.6
205.10100	4.4
207.11731	12.2
209.09599	5.2
209.13225	12.4
211.11198	4.6
211.14769	4.5
213.16495	3.8
219.11615	5.7
221.13243	13.5
223.14821	3.9
225.16563	2.6
227.10622	12.0
227.17886	31.4
229.12233	4.8
233.13377	5.5
235.14717	4.8
251.17906	3.3
253.12103	5.4
267.13742	3.0
269.18930	3.0
271.12866	2.9
275.17801	3.0
279.13712	3.5
289.19345	5.9
293.15396	3.2
307.17072	3.1
307.20508	9.3
317.18890	4.9
325.21570	4.5
335.19998	48.4
353.21039	100.0
353.25333	4.2
355.81232	2.5
371.22003	36.4
413.22525	2.7
431.24289	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	1.5
53.03933	1.7
54.27450	1.4
55.05506	10.0
61.42787	1.9
62.08467	1.4
63.11884	2.0
65.03914	2.0
66.92004	1.9
67.05488	26.9
69.03422	2.6
69.07055	3.7
69.19792	1.7
73.26955	1.8
79.05482	25.3
81.07036	57.0
83.04965	4.0
83.08575	2.6
85.02892	3.9
91.05463	51.3
92.09264	2.7
93.07029	36.1
95.04951	8.0
95.08565	20.8
97.06518	14.4
105.03394	4.6
105.07013	71.9
107.04982	3.7
107.08594	36.6
109.02865	1.8
109.06483	4.7
109.10149	7.5
115.05420	4.5
116.06227	3.5
116.75262	1.7
117.06989	31.0
119.08572	43.3
121.06483	7.5
121.10139	8.4
123.08021	7.8
125.05943	18.8
128.06209	11.7
129.06972	30.5
130.07774	7.9
131.08545	65.1
133.06445	3.0
133.10124	30.3
135.11707	4.3
141.06970	10.9
142.07748	22.0
143.08557	41.2
144.09297	4.0
145.06488	3.5
145.10118	46.3
147.08015	7.6
147.11636	18.9
149.09650	2.4
151.11163	3.6
153.05482	7.7
153.07014	7.6
155.08534	34.8
156.09355	2.7
157.10115	54.5
159.08034	7.4
159.11685	60.2
161.09610	4.0
161.13228	2.9
163.07524	8.6
165.05444	10.6
165.06960	8.9
166.07770	7.3
167.08525	13.1
168.09308	3.6
169.10115	26.0
170.10834	2.4
171.11696	18.3
172.02246	2.1
173.09602	8.4
173.13257	12.1
175.07454	14.8
177.09097	2.5
179.08524	15.2
180.09335	7.6
181.10083	25.8
182.10927	3.5
183.11676	25.9
185.09589	2.6
185.13312	14.1
187.14766	4.3
189.09131	4.4
191.08698	3.2
191.10591	2.2
192.09276	3.9
193.10129	15.1
194.10892	7.5
195.11658	27.5
195.71635	1.9
196.12463	3.7
197.09660	2.1
197.13194	19.1
199.11134	2.2
199.14809	10.7
201.09140	2.3
203.10834	2.3
205.10118	10.8
206.10887	4.4
207.11699	16.7
208.12469	2.7
209.09601	9.1
209.13194	19.3
210.13945	2.1
211.11169	3.2
211.14856	14.7
213.12828	2.5
213.16370	11.2
215.10683	2.2
217.10114	3.9
217.12094	2.2
218.10823	4.3
219.11690	13.7
220.12419	2.7
221.09714	2.5
221.13231	11.7
223.11189	2.4
223.14798	10.9
225.09308	2.5
225.12773	2.1
227.10648	12.7
231.11790	2.8
232.12550	7.8
233.13260	15.2
235.11154	4.3
235.14821	10.1
237.12718	3.6
237.16348	3.7
239.10596	3.6
241.12213	3.3
247.14812	10.5
249.16365	9.6
251.14299	2.7
251.17807	8.5
253.12288	7.5
255.13736	3.4
261.16330	4.5
267.13745	3.9
274.17175	2.4
275.14380	2.9
275.17886	14.3
275.45865	2.4
279.13739	9.3
289.19565	16.6
293.15390	11.1
295.16995	3.9
307.17374	2.1
307.20554	12.4
311.16449	2.8
317.18881	13.8
325.21515	3.1
335.19986	87.9
353.16751	3.6
353.21054	100.0
355.22528	3.7
371.22076	40.4
373.23746	3.4
395.21884	4.3
402.83920	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98236	1.4
51.72220	1.3
53.03938	2.4
55.05500	9.1
56.34509	1.2
62.36036	1.3
65.03915	2.4
66.77193	1.2
67.05493	23.1
68.83156	1.5
69.03408	1.7
69.07047	2.5
70.75275	1.2
79.05467	31.9
81.07032	39.0
83.04937	1.7
83.08606	2.7
84.77279	1.7
91.05450	32.0
93.07017	41.2
95.04937	8.0
95.08588	32.5
105.06998	45.4
107.04941	3.1
107.08571	36.5
109.06562	1.7
109.10129	6.4
111.04435	1.9
111.62176	1.6
117.06995	19.2
119.08562	28.4
121.10126	21.4
123.08006	6.0
125.05955	12.3
127.03898	1.7
128.06186	1.7
129.06976	16.7
131.08537	41.3
133.10098	18.5
135.11652	6.5
135.15819	1.5
137.05922	1.6
137.09622	2.6
141.07001	6.4
142.07751	6.9
143.08519	23.7
144.09286	2.6
145.06406	1.7
145.10088	30.1
147.08104	2.5
147.11649	15.4
149.06012	2.3
153.05417	6.9
153.06912	2.2
154.07700	1.7
155.08501	17.6
156.09293	2.0
157.10104	20.0
159.08040	3.4
159.11662	22.3
161.09633	1.9
161.13185	3.3
165.06950	1.9
166.07758	2.5
167.07178	1.5
167.08511	8.5
168.09288	3.2
169.10092	12.8
171.11641	14.6
173.09608	3.1
173.13222	19.6
175.11179	1.5
175.14743	12.5
179.08525	5.0
180.09323	3.7
181.10042	17.2
182.10863	2.1
183.08015	2.8
183.11662	14.0
185.09608	5.8
185.13184	10.6
187.11099	3.5
187.14803	5.3
189.08977	2.0
193.10101	9.8
194.10765	1.8
195.11674	13.0
197.09637	3.6
197.13208	8.3
199.11186	3.5
199.14813	6.2
201.09105	2.0
201.16336	11.6
201.95346	1.6
203.08731	2.2
205.10100	1.7
207.11673	8.5
209.09613	3.1
209.13148	2.5
211.11125	3.3
211.14716	2.3
213.16380	5.1
217.12224	2.4
219.11688	3.3
219.17503	1.8
221.13313	7.1
223.11150	2.4
223.14842	6.2
225.12700	2.4
227.10619	9.3
227.17889	14.8
229.12259	2.7
233.13214	5.9
237.16245	1.7
239.10547	2.3
241.12122	7.0
251.17845	4.4
253.12241	3.3
261.16391	2.3
271.13199	2.0
275.17911	3.4
279.13708	2.1
279.17343	1.6
279.20578	1.9
289.19382	7.3
307.20526	8.4
317.18872	3.3
325.21481	5.5
335.19989	33.6
353.21033	100.0
371.22076	36.7
431.24173	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	431.1544
Annotation	4-Hydroxyacetophenone 4-O-(6'-O-beta-D-apiofuranosyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.90683	0.3
53.03925	0.3
55.05496	1.2
56.96558	0.4
57.03417	1.9
60.15881	0.3
61.02913	0.3
62.06086	0.5
64.48123	0.3
69.03130	0.4
69.03423	6.4
69.07058	4.6
70.07404	1.1
71.04952	0.3
78.51395	0.3
81.03403	0.3
83.08624	0.5
85.02890	6.3
86.03210	0.4
87.04449	3.2
97.02859	5.2
98.97565	2.1
111.08078	0.3
115.03910	2.0
116.98583	1.2
119.10677	0.6
127.03894	0.4
128.02261	0.4
133.04948	1.7
137.05959	100.0
138.06346	0.6
145.04924	0.3
167.07069	0.5
177.00644	0.6
185.03896	1.4
219.01804	0.5
234.47784	0.3
237.02739	1.3
246.57715	0.6
293.09222	0.4
312.69455	0.3
379.41516	0.4
428.24927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.05505	0.2
55.97791	0.1
57.03418	0.7
65.03918	0.4
69.03409	2.0
69.07035	0.3
72.08112	0.3
73.02870	0.2
81.03393	3.8
84.04483	0.4
85.02888	2.6
85.06495	0.2
86.09688	4.1
87.04465	0.4
87.10040	0.2
89.03865	0.2
91.05460	8.1
93.07026	0.2
97.02865	1.1
99.04441	0.2
101.07091	0.2
109.02850	1.3
115.03886	0.3
117.03358	0.8
119.04914	26.7
124.03919	1.9
124.51292	0.2
127.03886	0.2
130.04996	1.0
133.04930	0.4
137.05939	0.3
145.02821	3.4
145.04903	0.2
147.04384	100.0
148.04692	0.9
149.05966	0.3
163.03857	0.3
165.05435	2.1
176.09044	0.2
177.05426	4.9
197.00725	0.3
291.08536	3.1
309.09659	3.8
431.18442	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	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.05501	1.8
57.15191	0.3
59.04987	0.6
61.02925	0.7
62.31725	0.4
62.56063	0.3
65.25187	0.3
67.05489	0.5
69.03403	0.6
69.07063	0.8
71.04999	0.4
73.02927	0.3
74.13980	0.3
79.05473	2.9
81.03408	0.4
81.07040	1.6
83.08607	0.6
85.02878	1.9
86.09705	0.6
87.04441	0.5
91.05448	3.0
92.08756	0.4
92.90244	0.3
93.07014	3.9
95.04937	1.3
95.08578	2.0
97.02914	0.5
100.15803	0.3
103.05460	1.8
105.07012	72.7
106.07359	0.4
107.08575	1.5
109.06505	0.5
111.08045	0.3
115.05408	0.8
117.06995	1.4
119.08564	3.6
121.06472	0.8
121.10153	0.6
125.88818	0.3
128.06201	21.7
129.06989	5.8
130.07762	0.5
131.08542	6.1
133.10127	0.5
141.06987	2.3
142.07750	8.1
143.08542	100.0
144.09239	0.5
145.06467	2.1
145.10133	5.5
147.11642	0.4
148.80554	0.3
153.07129	0.3
155.06058	1.5
155.08514	2.3
156.09300	5.8
157.10100	21.4
159.11656	8.5
169.10211	0.6
170.10872	2.9
171.57913	0.3
185.13217	28.7
187.11226	0.4
187.14745	1.3
203.14316	0.8
215.14314	0.6
218.28168	0.4
218.30261	0.4
233.15430	0.6
237.02818	0.4
368.74127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67694	0.8
52.65097	0.7
52.80346	0.8
53.03921	1.2
55.05276	0.9
55.05505	19.9
57.03421	3.9
57.07064	1.3
57.60256	0.8
62.49219	0.9
67.05133	1.5
67.05487	33.7
69.07052	13.5
71.04960	2.1
79.05470	19.4
81.07035	100.0
83.08592	5.5
85.06512	1.6
91.05431	6.6
92.08662	1.8
93.07015	18.9
94.07339	0.9
95.04967	1.4
95.08576	37.4
97.06499	3.4
97.10137	1.8
99.08069	31.8
105.07028	7.5
107.08564	12.1
109.06468	1.3
109.10146	16.5
112.30508	1.0
119.08538	5.4
121.10109	10.0
123.11661	8.6
123.34633	0.8
127.42800	1.0
131.08530	4.8
133.10063	8.0
135.11673	6.7
137.13249	1.6
145.10091	4.4
147.11649	6.7
149.13223	3.8
151.11099	1.1
159.11639	3.7
159.20993	0.9
161.13210	3.6
163.14851	1.1
173.13155	1.4
175.14772	1.2
187.14706	1.2
191.17960	1.5
243.20924	1.1
261.22009	5.5
279.23114	16.1
297.24188	1.3
395.31735	1.3
415.05054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01862	2.2
55.05489	1.1
57.03145	0.6
57.03428	22.7
57.07066	23.7
59.04996	5.8
61.02913	7.9
61.74051	0.5
69.03415	71.5
71.04977	0.8
73.02900	4.8
74.09695	0.9
74.75632	0.5
75.04465	3.0
81.03402	6.3
83.08595	0.9
85.01139	2.0
85.02889	100.0
87.04450	50.5
87.04885	0.8
91.03934	5.4
96.04543	0.6
97.02869	59.1
99.02669	0.9
99.04417	3.9
101.02329	0.7
101.09638	3.0
103.03951	0.8
109.02854	6.9
113.24578	0.5
115.03910	56.2
118.99828	1.3
119.10668	7.5
122.44957	0.5
123.08019	0.6
127.03893	19.6
133.01384	9.8
133.04942	55.1
135.04362	0.9
139.03891	0.6
140.96588	0.6
145.04933	34.0
160.99501	1.2
161.00862	29.3
163.03888	1.1
163.05989	16.0
169.04950	2.0
177.05382	0.6
195.01094	5.5
195.08566	7.8
196.01347	6.8
225.09644	22.3
241.07103	0.7
251.04015	6.0
259.08121	4.1
276.77310	0.6
295.10269	4.4
398.01910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49520	0.4
53.00307	0.5
53.80995	0.4
55.01864	1.0
57.03428	35.3
57.07067	23.4
59.04988	6.6
60.04507	1.0
61.02918	1.0
63.04478	27.0
64.33046	0.4
65.60824	0.4
69.03416	100.0
71.01334	0.6
73.02903	1.2
74.45396	0.5
75.04453	5.1
81.03399	3.0
81.05525	0.6
85.02890	72.2
87.04452	65.2
87.63449	0.4
95.04979	0.5
97.02873	70.0
97.05790	0.5
98.69058	0.5
99.04465	0.6
101.09680	0.5
103.03947	0.8
104.08179	0.5
109.02863	2.1
111.04468	0.8
115.03911	71.6
119.10671	64.3
127.03895	4.7
133.04945	55.2
141.85786	0.5
145.04933	4.6
150.07556	3.9
169.04965	1.1
187.05933	0.7
241.07082	1.1
251.14925	3.1
259.04739	0.5
259.07977	3.7
277.09192	1.1
281.15952	2.7
295.09930	3.5
316.41922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01860	2.9
55.05504	5.3
57.03435	8.7
59.04992	2.9
61.02914	8.7
67.05478	0.7
69.03416	31.4
69.07068	4.0
70.06567	1.3
71.04978	2.4
72.08127	3.1
73.02902	3.9
75.04465	0.7
81.03403	8.3
83.08604	15.5
84.08143	1.1
85.02894	100.0
86.06054	0.7
86.09690	4.9
87.04454	11.2
87.08100	2.4
91.03956	4.0
91.05479	0.6
92.08676	1.0
97.02873	32.8
97.06510	0.6
99.04446	5.5
101.02393	0.6
101.09651	5.3
103.03935	0.5
109.02879	10.7
111.04427	0.6
111.08092	5.9
115.03912	11.1
116.07089	0.7
117.09067	0.6
127.03904	21.2
129.09114	7.0
129.10094	1.1
133.04955	7.6
136.03864	0.6
137.05968	0.8
145.04948	29.2
150.05484	10.0
163.03998	0.8
163.06010	11.0
168.06609	0.9
173.62857	0.6
195.01083	0.7
251.14925	2.9
281.15936	2.2
329.73196	0.6
429.20901	1.3
430.21237	6.2
431.18750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.00287	0.9
55.05493	3.0
57.07070	23.9
59.36117	0.5
59.36428	0.5
60.53097	0.5
62.97002	0.5
66.87601	0.6
67.05476	5.5
69.07055	5.5
71.08614	13.7
79.05454	1.0
81.07038	9.9
83.04951	0.9
83.08614	2.5
85.10155	4.2
88.18325	0.5
91.05456	3.2
93.07026	3.4
93.86826	0.7
95.08591	7.8
97.10136	1.4
105.07013	3.6
107.08579	7.8
109.06470	0.9
109.10158	7.5
111.04436	1.2
117.07034	0.7
119.08590	5.5
121.06448	1.0
121.10133	4.4
122.07216	0.9
123.08030	1.4
131.08539	2.5
133.10092	1.1
135.08031	8.5
135.11665	3.6
137.06015	0.8
137.09590	16.2
139.07518	1.2
145.10126	3.4
149.08395	0.7
149.09598	18.9
151.07469	1.1
159.07990	0.8
159.11685	3.9
160.08817	0.9
161.06041	0.6
161.09613	0.9
162.06732	0.6
163.07588	0.6
163.11150	21.5
165.09084	100.0
172.08855	0.8
173.09584	3.2
173.13242	3.2
175.07620	0.9
175.11172	6.5
176.08330	3.1
177.09079	16.5
177.12758	2.5
179.10640	1.4
186.10400	1.3
187.11108	3.6
189.09006	1.1
189.12691	1.6
190.09924	0.9
191.10640	12.1
191.14290	0.8
201.12700	2.5
203.10678	3.2
205.12234	11.9
215.14203	1.3
219.13708	4.8
233.15306	2.6
247.16925	0.9
303.23273	0.8
347.34851	0.6
401.34125	2.7
411.36282	1.0
429.32111	2.8
429.37189	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	430.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
55.01880	2.8
57.03416	5.3
59.04988	96.7
61.02916	8.6
62.48842	0.9
69.03415	40.0
70.06570	1.7
71.04971	6.0
73.02888	4.9
79.05518	0.8
81.03398	31.2
83.01320	1.4
85.02885	78.2
86.09666	1.9
87.04447	92.9
91.03899	3.7
91.05451	1.9
93.06989	1.0
95.04954	1.4
97.02865	100.0
99.04425	13.0
105.05478	41.1
105.07001	1.4
109.02859	24.5
115.03877	1.5
119.04929	16.0
121.02822	3.9
121.10113	1.0
123.04432	1.2
127.03880	61.7
131.08560	1.6
145.04929	38.1
147.04381	68.2
148.04701	1.6
163.05997	2.2
164.86107	1.0
165.05428	3.6
171.04375	2.0
177.05492	1.1
184.04549	1.0
189.05450	1.7
213.07509	5.2
231.08577	22.7
249.09625	22.1
315.41415	0.8
315.64832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.5
55.05498	7.2
56.31665	0.9
56.38005	1.1
57.03426	28.7
59.04990	53.7
60.04523	1.3
61.02906	1.9
69.03410	84.0
73.02894	2.2
73.06536	1.9
73.85223	1.4
75.04449	2.3
81.03376	1.9
83.04961	6.4
85.02887	64.3
87.03935	2.2
87.04450	56.8
89.06023	2.1
90.86741	1.3
93.53979	1.4
97.02866	100.0
101.05320	2.7
101.05994	84.5
111.04383	1.3
115.03909	67.2
119.07032	34.3
119.20540	1.2
127.03895	7.1
133.04939	45.8
145.04907	5.9
175.06047	1.5
233.10185	1.3
233.47346	1.2
251.11008	1.3
259.08188	1.8
263.11234	5.1
295.10190	1.7
382.44308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3362
Annotation	Tylopiol B
Peak:m/z	Relative Intensity
55.05264	2.3
55.05505	38.5
57.03425	1.8
57.07057	2.6
67.05489	41.2
67.45820	1.5
69.07053	21.2
71.04969	2.9
79.05463	19.3
81.07037	63.2
82.16437	1.6
83.08615	4.3
85.06555	3.2
91.05447	13.2
93.07013	29.6
95.04951	2.4
95.08582	59.0
97.06492	7.0
97.10132	13.5
105.06994	22.5
107.08582	35.9
109.06490	10.4
109.10149	26.8
111.08121	2.3
117.07005	2.0
119.08544	24.0
120.08862	1.9
120.22882	1.6
121.10120	25.7
123.08069	3.6
123.11694	9.9
131.08546	10.8
133.06464	2.9
133.10106	22.6
135.08029	4.0
135.11691	12.8
137.13258	2.5
143.08502	2.5
145.10104	9.4
147.08008	3.5
147.11661	14.5
149.09674	2.0
149.13148	6.5
151.11119	2.2
157.10107	2.0
159.11674	9.3
161.09657	7.1
161.13287	9.4
163.11147	2.7
163.14783	3.8
164.01225	1.8
171.11604	2.0
171.67963	1.8
173.11838	2.2
173.13245	7.2
175.11198	6.7
175.14819	22.4
185.13188	8.6
187.14775	3.1
189.16364	3.3
193.15826	2.1
199.14792	2.3
201.16524	2.0
203.14291	42.8
227.17900	1.8
261.22107	9.9
269.18854	2.6
279.23236	24.9
297.24442	2.8
365.27777	2.1
393.31558	3.0
407.98730	1.7
411.32388	59.7
429.21326	2.4
429.27884	4.0
429.33551	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	429.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.9
54.81415	2.2
54.84789	2.2
55.05504	63.7
57.03423	2.9
57.07057	7.9
58.76279	1.7
62.95248	1.9
67.05145	2.8
67.05488	83.3
69.07049	41.3
70.88187	2.0
70.94949	1.6
71.04967	4.5
72.69892	2.0
79.05470	27.2
81.07034	100.0
83.04948	3.2
83.08594	16.2
85.06486	8.2
88.28474	1.9
91.05431	15.0
92.76786	2.2
93.07009	36.9
95.04936	2.7
95.08575	94.4
95.09188	3.3
97.06493	9.7
97.10178	16.7
99.08026	2.2
105.06996	15.7
107.08578	30.0
109.06517	2.5
109.10141	45.3
117.06995	2.4
119.08562	19.2
121.10116	27.2
123.11639	16.6
131.08533	11.3
133.10088	16.8
135.11661	18.7
137.13199	3.7
143.08521	2.3
145.10083	13.2
147.11641	9.0
149.13194	8.9
159.11617	8.1
161.13242	8.2
173.13261	4.2
186.55490	2.0
187.14774	3.9
243.21114	4.9
261.22034	21.6
279.23096	69.8
297.24152	9.6
411.32239	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	429.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01083	1.8
54.27822	1.9
55.01858	3.7
55.05497	14.4
55.13357	2.2
56.92608	1.9
57.07067	2.4
67.05489	62.7
69.07050	100.0
71.04983	2.9
73.06541	9.9
77.51301	2.4
79.05468	25.4
81.07035	84.4
83.08595	15.8
85.06516	2.8
86.01197	2.3
91.05471	14.3
93.07007	34.4
95.08579	51.7
95.75773	2.2
96.08937	2.9
97.06516	16.9
97.10162	4.2
105.07004	17.3
107.08572	37.7
109.06522	3.0
109.10138	27.4
115.07546	40.5
117.06950	2.6
119.08536	24.9
121.10117	25.2
123.08096	3.2
123.11679	16.1
131.08565	12.3
133.10095	17.8
135.11687	20.4
137.09616	2.8
145.10094	14.0
147.11681	13.6
149.13213	8.9
156.36928	2.3
157.10060	3.2
159.11629	5.0
161.13190	5.1
173.13234	5.5
175.14748	3.9
189.12801	3.2
189.16411	2.8
207.17398	4.2
243.20970	3.3
261.22034	5.9
265.44702	2.7
279.23129	25.3
297.24210	5.3
411.31467	32.3
429.33743	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	429.336
Annotation	Tylopiol B
Peak:m/z	Relative Intensity
51.27476	1.8
55.05504	9.8
55.07933	2.0
57.03421	2.1
57.07063	2.7
67.05489	16.9
69.07056	29.6
71.04984	2.6
71.32439	1.7
79.05482	13.2
81.03381	3.1
81.07042	35.0
83.04967	2.0
83.08610	4.6
85.06550	3.0
91.05446	16.8
92.08787	3.9
92.09285	2.5
93.07026	38.2
93.26589	1.8
95.04939	4.1
95.08586	50.4
97.06540	2.2
105.07004	33.0
107.04930	3.0
107.08577	55.0
109.06488	3.1
109.10144	36.1
111.08088	2.8
111.11715	4.7
117.07033	3.5
119.08558	47.6
121.06493	4.6
121.10142	23.7
123.11698	12.0
129.06992	2.3
131.08577	9.8
133.10124	35.1
135.11676	54.9
137.09584	3.8
139.33331	2.4
143.08577	4.3
145.10124	13.8
147.08156	2.3
147.11670	23.9
149.13297	10.2
151.11119	2.7
157.10097	4.8
159.11710	7.8
160.12459	2.0
161.13240	15.0
162.13777	2.1
163.11217	2.6
163.14867	7.1
169.10152	7.1
171.11667	4.0
173.13234	11.9
175.14769	14.7
179.14223	2.8
181.10036	2.3
183.11612	2.1
185.13185	3.7
187.14778	8.1
189.12682	2.8
189.16360	39.7
191.14307	4.5
191.18074	2.6
193.15858	3.1
199.14848	3.3
201.16504	2.5
203.14258	4.6
207.17384	31.1
211.14850	2.1
213.16408	3.4
239.17914	4.6
253.19580	4.1
257.19086	4.4
259.20392	2.8
275.20084	2.3
375.30273	3.8
393.31305	12.9
411.32513	100.0
429.33859	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48697	3.0
55.05489	18.8
57.07074	6.1
66.35019	3.4
67.05491	66.7
69.07055	36.8
71.04981	4.1
71.08616	5.1
72.71086	4.7
79.05474	18.4
81.07037	100.0
83.08609	7.4
84.96034	3.7
91.05473	16.7
92.08739	3.8
93.07001	32.8
95.08583	68.9
105.07000	18.8
107.08564	32.2
109.10145	51.1
119.08573	16.6
121.10114	20.7
123.11682	5.5
131.08566	5.8
133.10123	8.4
135.11684	15.3
147.11691	9.3
159.11719	5.6
161.13263	15.9
173.13246	4.6
177.16327	4.7
183.78882	4.8
212.07329	4.3
243.21024	4.3
261.22058	6.0
279.23212	23.4
427.35532	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60708	0.6
55.01840	1.5
55.93550	0.6
57.03427	35.1
59.04989	7.0
60.04505	1.5
61.02908	3.4
61.20883	0.7
69.03414	100.0
71.08617	7.3
73.02895	1.6
75.04461	4.6
81.03402	4.0
81.07053	0.8
83.04954	1.0
85.02889	78.1
87.04449	62.2
91.03949	0.7
97.02871	75.2
99.04430	1.5
109.02856	1.6
115.03907	68.5
117.09067	1.7
127.03898	8.6
133.04939	61.4
144.06473	1.2
145.04930	10.1
147.04443	2.5
150.07600	5.8
162.07545	1.1
163.05997	2.9
169.04945	0.9
229.06996	0.9
231.59564	0.9
241.06935	1.0
259.08069	3.3
261.13251	4.2
266.15854	0.8
277.09061	1.6
295.10117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01881	2.7
57.03173	1.1
57.03428	22.7
57.07053	1.1
59.04973	5.7
60.04498	1.1
61.02895	5.4
69.03415	82.9
71.04970	1.1
73.02885	3.4
75.04456	6.3
81.03411	6.5
83.04967	1.3
85.02888	100.0
87.04446	48.8
91.05463	1.3
95.90218	0.8
97.02866	65.6
98.97575	1.4
99.04414	5.0
103.03902	1.0
107.08556	0.8
109.02842	5.0
111.04399	0.9
115.03904	54.2
123.04412	0.9
127.03874	18.1
133.04939	49.3
135.04417	0.9
145.04948	21.1
145.06139	1.3
145.06534	0.7
150.07579	3.4
163.05989	8.3
167.07018	1.1
169.04964	1.8
175.11082	0.9
187.05872	0.9
220.56140	0.9
223.05957	0.8
259.08060	1.4
279.17963	4.7
295.10187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.66030	3.3
55.05493	21.6
57.07066	8.6
58.93892	3.2
61.49232	3.2
67.05495	35.0
67.99113	3.1
69.07054	41.6
72.10736	3.4
79.05471	22.9
81.07044	69.5
83.08608	22.8
88.02187	4.2
91.05456	21.6
92.09193	9.8
93.07035	48.7
95.08591	100.0
97.10145	4.7
99.95301	3.1
105.07011	37.0
107.08586	63.9
109.10151	68.9
117.06963	3.7
119.08569	67.8
121.10139	78.0
123.08011	4.0
123.11663	32.2
131.08516	8.8
133.10138	56.7
135.11690	41.8
137.09607	5.1
142.54099	3.3
143.08578	9.1
145.10103	17.4
147.11691	21.7
149.13248	24.1
157.10121	14.6
159.11670	32.7
161.13234	25.6
163.11296	4.0
163.14824	16.7
165.09109	26.4
171.11655	9.2
173.13229	22.0
175.14818	20.0
177.16383	15.0
183.37016	4.0
183.63383	3.5
185.13167	6.0
187.14796	16.9
189.16327	7.2
191.14290	4.7
191.17876	7.4
197.13301	5.8
199.14787	7.6
201.16412	5.8
213.16348	5.1
215.17911	5.5
217.19724	4.1
255.21080	29.7
274.63367	3.6
378.55917	4.4
391.33691	31.4
409.34494	36.2
427.35593	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	427.3569
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05497	4.4
57.07054	1.4
57.91592	0.7
63.64114	0.7
67.05490	7.5
69.07054	8.5
79.05453	4.7
81.07030	17.9
83.04967	1.0
83.08588	2.2
91.05421	7.8
92.08664	4.6
93.07017	18.8
95.04962	1.1
95.07998	1.8
95.08580	34.3
97.10168	1.5
105.07011	12.3
107.08570	32.7
109.06499	4.2
109.10146	14.3
111.08051	2.2
119.08560	22.4
121.10123	21.4
123.08037	5.2
123.11671	5.1
131.08571	6.9
133.10107	14.4
135.08018	2.1
135.11670	25.8
137.09624	4.3
137.13190	1.3
143.08565	1.7
145.10094	13.5
147.11662	21.6
147.23897	0.9
149.13252	13.5
151.11145	1.3
157.10152	3.9
159.11682	9.9
161.13252	8.7
163.14786	10.4
171.11674	2.2
173.13258	5.5
175.14786	5.3
177.16321	7.9
185.13120	1.4
187.14767	17.9
189.16345	25.6
189.17943	1.5
191.17935	1.4
199.14795	1.2
201.16315	6.3
205.15820	40.7
207.17426	23.0
215.17854	6.7
219.17371	4.0
227.18013	1.3
229.19505	4.0
241.19440	1.4
255.21069	4.6
258.09439	1.0
269.22592	3.5
291.23212	1.3
391.33295	1.6
404.07495	1.1
409.34354	7.5
415.06992	1.1
427.35623	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	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28935	0.5
54.82003	0.6
55.05486	2.2
55.54394	0.5
57.07056	0.7
67.05481	3.4
69.07064	4.6
77.27448	0.5
79.05463	2.3
81.07040	6.7
82.42042	0.5
83.05000	0.6
83.08586	2.4
91.05460	2.3
93.07018	9.1
95.04942	0.7
95.08581	15.0
97.10123	1.1
105.07015	12.1
107.07871	0.7
107.08577	18.7
109.06456	0.8
109.10149	8.2
117.06989	0.7
119.08552	9.9
121.06500	0.8
121.10116	15.0
123.11700	1.3
131.08549	10.8
133.10107	5.5
135.08025	14.3
135.11655	6.3
137.09593	1.2
145.10097	11.6
147.11690	4.2
149.09564	0.9
149.13248	2.7
157.10121	0.6
159.11667	5.0
161.13234	2.7
163.14789	1.2
169.66611	0.6
172.12503	0.7
173.13173	0.9
175.14876	0.6
177.16341	14.8
187.14771	12.0
189.16425	0.8
191.17938	2.7
203.14363	1.1
205.15846	100.0
219.17374	5.2
225.82619	0.6
409.34894	2.0
427.35611	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	427.3567
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
54.81556	1.2
55.05499	6.9
57.53522	1.4
64.23769	1.4
67.05489	9.7
68.32146	1.3
69.07046	10.0
70.88276	1.2
79.05468	5.9
81.03393	1.8
81.07037	18.5
83.08611	2.9
91.05484	3.5
91.76954	1.4
92.09195	2.8
93.07040	16.5
95.04986	1.7
95.08590	34.0
97.10117	1.5
98.90842	1.4
105.07001	18.8
106.07349	1.5
107.08574	29.3
108.08920	2.1
109.06534	5.0
109.10144	22.6
112.45752	1.6
119.08560	22.2
121.06503	2.5
121.10113	25.7
123.11681	8.2
131.08553	7.4
132.58755	1.4
133.10109	13.4
135.08037	6.0
135.11670	14.4
136.12064	1.7
137.13127	1.8
145.10129	13.5
147.11661	12.5
149.09653	2.1
149.13239	7.9
159.11671	7.3
161.13258	9.3
163.14809	2.6
173.13260	2.4
175.14818	3.1
177.16370	12.2
179.14262	7.6
179.15717	1.6
179.51228	1.6
187.14780	12.2
189.16336	3.6
191.14287	11.3
201.16414	3.1
205.15851	48.4
219.17430	2.4
255.21008	2.3
315.11957	1.9
381.31610	2.7
409.34647	3.0
426.38144	1.6
427.24536	12.2
427.35681	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	427.3567
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
50.96289	0.8
51.18206	0.8
55.05503	6.8
57.07063	2.0
67.05507	9.4
69.07050	10.6
71.08216	1.0
79.05479	8.0
81.07041	22.4
83.08603	6.3
84.44949	1.1
87.69932	1.1
91.05463	7.5
92.09364	1.5
93.07020	20.9
95.08589	34.0
97.06498	1.2
97.10162	1.2
105.07021	12.9
107.08584	30.1
109.06488	1.8
109.10137	22.0
111.08064	1.9
119.08565	76.9
121.06457	6.2
121.10132	25.5
123.08072	7.1
123.11722	9.2
131.08577	6.5
133.10124	15.9
135.08023	18.0
135.11667	23.3
137.13248	1.8
144.09343	1.1
145.10112	19.2
147.11650	10.1
149.13271	7.4
151.11223	1.6
157.10127	1.9
159.11656	16.1
161.13231	10.0
163.11168	6.0
163.14807	4.6
171.11711	2.1
173.13272	5.8
175.14818	7.6
177.16426	1.9
179.14288	2.7
185.13449	1.4
187.14809	9.5
189.16444	6.0
191.17982	7.7
199.14699	3.9
201.16414	6.3
203.17958	2.1
205.15878	2.1
219.17435	2.3
391.33643	1.7
409.34702	4.3
427.35654	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	427.3567
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
50.86646	0.6
55.05489	3.2
56.96198	0.5
57.07051	1.4
57.99843	0.5
63.51304	0.7
67.05483	6.9
69.07050	7.4
75.89080	0.6
76.56734	0.6
79.05461	5.7
81.07033	18.2
83.08604	5.3
91.05453	5.0
92.09384	1.4
92.23273	0.7
93.07015	16.2
95.04949	1.0
95.08580	26.4
97.10142	1.0
105.07008	14.7
107.08575	30.5
109.06512	3.2
109.10141	13.0
111.08043	0.8
117.06983	0.9
119.08560	21.1
121.10123	24.3
123.08035	3.2
123.11692	5.6
129.06961	0.7
131.08517	8.3
133.10112	16.7
135.08063	1.5
135.11668	23.4
137.09593	0.8
137.13284	1.3
138.71198	0.7
143.08528	2.5
145.10104	12.6
147.11656	23.0
149.13237	11.4
149.64369	0.7
151.11066	0.8
157.10066	3.1
159.11667	8.1
161.13211	9.8
163.14790	12.5
165.12756	1.1
170.46910	0.8
171.11618	1.1
173.13245	4.1
175.11166	0.8
175.14749	5.8
177.16319	9.4
183.11600	0.6
185.13246	2.5
187.14815	16.0
189.16345	25.2
189.17923	1.2
191.17892	2.5
199.14899	1.0
201.16344	7.4
203.17955	3.3
205.15845	40.5
207.17421	23.0
215.17886	5.2
217.19460	1.1
219.17433	4.1
227.17903	1.0
229.19495	3.2
235.20448	0.8
255.20990	5.3
269.22580	3.5
287.23666	0.9
359.48828	0.9
391.33463	1.2
409.34708	7.3
426.15906	0.8
427.35632	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	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37451	1.4
50.80628	1.0
50.98492	1.1
51.15641	1.2
53.33949	1.1
55.05497	5.5
56.74348	1.3
57.07059	1.8
60.93742	1.2
64.32885	1.4
67.05505	12.5
68.65404	1.2
69.07040	9.8
70.72672	1.2
72.40669	1.3
79.05476	8.1
81.07026	19.5
83.08605	3.3
91.05463	8.7
93.07025	20.2
95.08585	35.1
97.10195	1.8
105.07023	14.8
106.91963	1.4
107.08582	35.1
109.06506	2.1
109.10142	19.0
111.08105	1.5
117.06998	2.4
119.08543	25.5
121.01789	1.3
121.10116	25.7
123.08073	2.7
123.11697	7.3
131.08562	11.0
133.10094	18.5
134.69463	1.2
134.73775	1.5
135.11682	24.2
137.06131	1.4
137.09631	2.4
143.08563	1.8
145.10110	17.0
147.11674	22.8
148.08308	1.5
149.13257	12.8
151.11163	1.9
151.56165	1.3
157.10153	2.2
159.11684	8.4
161.09563	1.7
161.13234	9.3
163.14815	8.9
165.12697	2.1
171.11620	1.9
173.13249	7.2
175.14851	7.1
177.16368	6.8
187.14801	18.7
189.16350	26.2
191.17958	2.4
201.16393	9.4
203.14301	6.3
203.18004	1.6
204.14650	13.3
205.15900	36.7
207.17383	23.6
215.18031	5.5
217.16052	1.5
218.16454	1.6
219.17567	1.7
229.19501	2.5
241.19635	2.1
255.21060	6.0
257.32404	2.0
269.22479	1.8
324.32419	10.8
369.87466	1.5
409.34561	5.7
427.35693	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	427.3567
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.88153	0.9
55.05499	2.3
57.07063	0.9
59.14272	0.9
67.05490	7.9
69.07044	5.2
79.05453	2.5
80.70428	1.0
81.07037	17.5
83.04948	5.0
83.08588	2.4
83.55423	1.0
84.94831	1.0
91.05403	1.8
92.09226	7.9
93.07017	11.4
95.08572	23.0
105.07021	16.7
107.08588	22.8
109.06496	1.4
109.10144	14.4
114.95778	1.1
119.08546	13.8
121.10123	21.3
123.08061	1.7
123.11697	6.1
127.92213	1.0
129.64151	1.1
131.08554	2.6
133.10124	6.9
133.44131	1.3
135.02290	1.0
135.07997	4.6
135.11659	13.7
137.09581	1.7
145.10129	5.6
147.11644	4.8
149.09596	19.7
149.13275	8.3
159.11623	2.3
161.13206	5.7
163.14853	5.2
171.11745	1.3
173.13268	4.2
175.14789	12.4
177.16376	16.4
185.13165	1.2
189.16362	5.7
191.17902	4.9
201.16379	7.0
217.15938	1.4
219.17349	10.2
231.17480	1.7
245.19058	1.9
273.22067	14.8
341.92957	1.2
409.34705	2.8
427.35648	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	427.3568
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05502	8.4
56.44122	1.2
57.07064	2.3
57.27341	1.0
65.35654	1.0
65.66864	1.1
67.05493	10.5
69.07050	19.8
79.05476	11.6
81.07037	35.7
82.92291	1.3
83.04961	1.2
83.08603	7.8
84.82670	1.1
91.05454	10.5
92.09235	2.3
93.07022	40.1
95.04939	2.5
95.08578	45.8
97.10165	6.3
105.06997	30.1
105.07645	1.6
107.08569	66.7
109.06506	4.8
109.10143	25.9
110.90753	1.1
111.08072	2.6
117.06989	2.3
119.08553	40.8
119.09379	1.8
121.10129	38.7
123.08025	4.6
123.11676	8.4
125.09632	1.5
126.74120	1.4
129.06895	1.3
131.08521	18.1
133.10103	30.1
135.08037	2.7
135.11667	43.9
137.09665	1.4
137.13205	1.2
139.11176	1.6
143.08545	2.7
145.10095	24.1
147.11678	36.5
149.13242	21.4
151.11139	1.8
153.12700	1.5
157.10129	5.7
158.10817	1.3
159.11653	16.6
160.12561	1.5
161.13206	19.7
163.14772	30.4
165.12704	2.1
171.11664	5.1
173.13261	8.7
175.14775	10.9
177.16350	25.1
179.14174	1.5
181.15808	3.6
185.13243	5.5
187.14796	24.9
189.16324	42.8
189.17897	1.9
191.14252	2.6
191.17896	5.0
199.14824	4.6
201.16371	19.4
203.17883	12.9
205.15836	100.0
207.17395	44.1
213.16399	4.6
215.17918	11.3
217.19572	2.2
219.17415	16.6
219.81624	1.5
227.17990	5.4
229.19559	7.8
241.19563	2.5
255.21040	9.5
269.22775	5.4
288.78833	1.2
345.60056	1.3
391.33563	2.7
409.34595	39.2
425.27429	1.3
427.35675	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
54.39720	3.6
55.05502	18.0
57.07053	5.5
65.89036	3.7
67.05487	24.8
69.07063	39.8
73.59187	4.3
79.05467	18.5
81.07036	57.3
83.08612	8.7
91.05432	7.1
93.07032	60.0
95.08591	100.0
97.10162	4.9
99.50349	4.0
100.77293	4.5
101.81693	4.4
105.06999	37.3
107.08581	79.5
109.06551	9.1
109.10127	60.5
117.79832	4.3
119.08530	43.7
121.06458	6.9
121.10117	60.4
123.08041	16.4
123.11681	31.7
131.08545	8.8
133.10118	51.7
135.08049	8.9
135.11662	41.5
145.10141	9.7
147.11650	19.7
149.13205	39.2
159.11665	18.2
161.13191	6.3
163.14809	10.3
165.09114	7.3
173.13216	9.7
175.14771	9.0
177.16396	6.9
187.14789	6.1
189.16374	8.2
191.17900	5.3
199.14790	5.8
205.15707	13.6
233.91988	4.4
243.72768	4.9
331.26233	6.4
391.33469	8.6
396.47931	5.6
409.34573	38.2
427.35593	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	427.3572
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.71569	1.6
55.05505	19.8
57.03429	2.3
57.07061	8.3
66.99606	1.8
67.05493	29.6
69.07066	24.5
72.83338	1.9
74.51413	1.8
78.79181	1.7
79.05480	20.4
81.07036	60.4
83.04971	3.2
83.08598	12.6
85.06541	2.4
86.66084	1.7
91.05452	23.9
93.07019	70.6
95.04941	9.8
95.08582	100.0
97.06499	2.1
97.10149	11.1
104.99241	3.2
105.06355	3.0
105.07011	51.3
107.07863	3.2
107.08576	92.4
109.10152	54.4
110.91305	1.9
111.08057	7.6
114.36274	2.2
117.06972	8.5
119.06055	2.1
119.08553	84.0
121.06493	3.2
121.10119	67.4
123.08065	4.8
123.11718	20.5
125.09605	2.9
131.08539	19.7
133.10107	49.1
135.08040	12.8
135.11668	70.4
136.11998	3.5
137.09569	3.2
137.13255	8.8
143.08527	8.8
144.09309	2.8
145.10103	46.3
147.11681	43.6
149.13237	27.8
151.11169	3.6
156.09402	2.5
157.10101	10.4
159.11649	29.9
161.13210	27.8
163.14792	27.9
171.11621	14.0
173.13174	24.1
175.14774	22.4
177.16389	12.8
183.11659	2.9
185.13258	14.3
187.14815	33.5
189.16368	31.5
191.14291	3.4
191.17932	16.8
197.13264	3.5
199.14697	4.2
201.16321	20.1
203.17905	11.1
205.15849	37.5
207.17323	16.7
213.16388	4.8
215.17897	8.0
217.19501	3.9
219.17413	9.8
227.17967	3.4
229.19463	5.0
241.19566	2.7
242.19960	2.2
243.21051	9.3
255.17357	2.3
255.21045	9.8
269.22552	4.8
273.22095	3.4
295.76361	2.0
303.04114	2.1
391.33499	8.4
409.34741	52.3
426.38022	2.2
427.35815	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.0
57.07056	7.8
64.33243	2.0
67.05499	20.6
69.03391	3.2
69.07057	49.4
73.41463	2.0
79.05469	20.3
81.07032	56.5
81.91830	1.7
83.04940	2.1
83.08591	10.2
91.05451	16.9
92.08683	2.6
92.09214	7.0
93.07027	49.6
95.04945	2.9
95.08582	99.3
97.06508	8.4
97.10140	9.7
105.07011	45.2
106.28947	1.7
107.08578	100.0
109.06509	3.8
109.10143	51.6
117.06963	2.4
119.08556	55.4
121.06489	2.4
121.10122	71.7
123.08040	3.2
123.11686	20.9
125.09626	1.6
131.08534	15.2
133.10117	44.6
135.08052	7.6
135.11674	49.6
136.12083	2.0
137.09549	2.7
137.13242	9.1
139.11142	16.5
143.08527	8.0
145.10114	24.9
147.11676	36.3
149.09592	7.7
149.13249	22.3
153.12704	4.5
157.10132	4.0
159.11662	19.4
161.13210	29.5
163.14816	26.1
171.11647	3.1
173.13200	13.3
175.14804	19.6
177.12773	2.5
177.16345	12.6
179.14276	11.2
185.13286	3.3
186.55147	2.4
187.14745	22.6
189.16388	26.6
191.14268	11.6
191.17914	52.9
199.14815	3.1
201.16335	15.8
203.17937	26.7
205.15852	26.8
205.19469	2.0
207.17365	2.7
211.14809	1.8
213.16376	3.6
215.17935	9.1
217.15881	3.8
217.19427	12.7
219.17377	40.4
227.17897	8.8
229.19447	7.4
233.19011	7.0
239.17888	1.8
241.19542	2.3
245.18903	4.0
247.20573	11.7
255.21094	3.8
257.22632	2.1
271.24194	4.2
285.21954	2.1
391.33459	9.7
409.34573	62.4
427.35541	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3188
Annotation	CHEBI:70578
Peak:m/z	Relative Intensity
50.31461	0.5
53.78536	0.6
54.81897	0.5
55.05495	2.9
57.07041	0.6
66.54207	0.6
67.05483	3.5
69.07048	3.9
76.24894	0.6
76.56365	0.7
79.05466	3.8
81.07031	9.9
83.08574	0.9
85.06478	0.7
91.05447	3.5
92.08685	0.9
93.07011	9.3
95.04905	0.5
95.08581	12.8
97.10134	0.7
105.07015	9.1
107.08583	11.0
109.10138	6.8
117.06982	1.1
118.89342	0.6
119.08550	12.6
121.10120	6.2
123.08089	0.7
123.11711	2.9
131.08501	4.4
133.10107	7.2
135.08041	0.8
135.11662	7.2
143.08434	1.2
145.10107	6.2
147.08041	0.7
147.11667	5.6
149.13251	3.1
151.11214	1.0
157.10132	2.7
159.11667	4.7
161.13206	4.2
163.14769	2.6
171.11638	1.2
173.13219	3.7
175.14783	3.0
177.16302	0.9
179.14305	0.8
185.13245	1.2
187.14781	3.4
189.16342	4.1
191.14290	1.4
191.17941	2.3
201.16209	1.6
203.17998	1.5
205.15834	1.2
219.17346	0.7
227.17868	0.7
229.19522	0.9
292.13696	0.7
409.30722	3.6
409.34702	2.8
427.31711	100.0
428.32123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3185
Annotation	CHEBI:70578
Peak:m/z	Relative Intensity
53.87851	0.7
55.05499	3.8
57.07056	0.8
59.04954	0.8
67.05483	5.3
68.36807	0.8
69.07053	4.5
79.05466	5.4
81.07043	16.5
83.08600	1.9
91.05449	4.5
93.07018	11.3
95.08582	18.6
97.10165	1.0
105.07011	16.3
107.04905	0.9
107.08572	13.5
109.10143	10.6
117.06980	1.7
119.08561	14.4
121.10143	11.1
123.11694	2.1
131.08551	6.4
133.10117	7.9
133.23782	1.0
135.11665	10.9
137.13159	1.1
143.08559	1.6
145.10138	11.1
147.11690	8.1
149.13191	1.9
151.11122	1.0
157.10086	2.0
159.11626	8.7
161.13249	8.3
163.14796	5.1
171.11641	1.9
173.13225	4.6
175.14810	7.0
185.13211	1.0
187.14807	3.8
189.16386	5.7
191.14316	1.4
191.17909	3.6
201.16344	4.2
203.17990	1.2
205.15764	1.4
207.17317	1.0
213.16432	1.0
217.19395	1.1
219.17378	2.3
397.34567	1.2
409.30417	2.1
409.34625	4.4
427.31705	100.0
428.32071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3207
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
55.05503	11.4
57.07059	5.3
62.73421	2.2
67.05488	24.8
69.07058	28.2
70.59945	2.2
71.04988	3.1
79.05477	23.7
81.07039	56.4
83.08604	10.7
91.05460	26.7
92.34742	2.4
92.65110	3.5
93.07021	53.1
95.04938	5.1
95.08582	74.9
97.06491	4.3
100.54057	2.7
104.99233	3.6
105.07024	64.0
107.08588	69.1
109.10145	37.3
110.45268	2.6
111.08083	3.6
113.09617	2.7
117.07005	12.9
119.08559	65.6
121.06506	2.8
121.10145	42.7
123.07973	4.1
123.11693	18.1
129.07062	5.2
131.08522	25.1
133.10106	43.3
135.11691	44.8
137.13237	11.1
142.07756	3.2
143.08537	15.7
144.09322	3.9
145.06482	4.0
145.10104	44.6
147.11653	32.9
149.13258	40.3
155.08423	3.0
157.10150	22.5
158.10924	3.6
159.11682	31.7
161.13197	28.3
163.14760	4.0
169.10156	4.5
171.11682	16.7
173.09554	2.7
173.13231	41.7
175.11102	5.8
175.14777	40.0
183.11630	3.1
185.13266	4.3
187.11249	3.3
187.14812	22.3
189.12691	12.1
189.16350	27.6
191.14265	5.1
199.14783	6.4
201.16415	6.7
203.14320	2.9
207.17447	14.8
211.14958	4.1
213.16336	10.9
215.18005	5.2
227.17989	4.4
229.15884	3.2
237.16267	4.4
255.17238	3.5
363.30249	4.7
381.31589	18.2
391.29688	6.7
393.20413	3.5
409.30667	45.4
427.31851	100.0
427.36658	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78360	0.5
53.03927	0.9
55.01857	0.7
55.05505	65.8
57.03426	7.2
59.04978	2.1
67.05502	0.6
69.03071	1.0
69.03419	20.9
69.07059	7.9
70.38933	0.5
71.01351	0.5
71.04974	2.3
71.08592	0.8
76.56160	0.7
81.03381	2.4
81.07030	0.7
83.08614	2.8
85.02888	18.9
87.04453	11.5
91.05461	0.9
93.07025	0.9
95.04935	0.8
95.08569	2.6
97.02869	16.7
97.10151	100.0
98.97544	2.1
99.04417	2.2
101.02419	0.8
105.06973	0.7
109.02858	1.1
111.08065	0.7
113.09581	0.6
115.03910	8.8
115.11185	38.9
119.08580	0.9
122.06004	0.7
127.03899	2.5
129.09088	0.6
133.04967	7.8
133.10065	0.9
133.12225	16.0
142.74298	0.5
145.04933	2.8
150.07741	0.6
212.13594	0.6
247.15306	1.3
248.15750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72863	0.6
53.00314	1.1
53.03931	1.5
55.01855	0.7
55.05507	52.6
57.03428	17.0
57.07071	1.8
57.80012	0.8
58.91384	0.7
59.04992	5.3
61.02922	1.4
67.05491	1.6
69.03418	48.6
69.07056	20.5
70.06583	1.1
71.04978	0.9
73.02905	1.7
75.04469	3.3
75.35213	0.8
76.21781	0.8
79.05479	1.1
81.03407	5.0
81.07035	1.6
83.04967	1.6
83.08590	1.0
84.95965	0.9
85.02892	44.6
85.06508	1.0
87.04451	29.2
91.05470	1.3
93.07031	1.2
95.04918	1.8
95.08617	3.6
97.02873	36.4
97.06543	1.4
97.10149	100.0
98.97514	1.3
99.04443	4.8
103.03923	1.1
105.07024	1.3
107.08595	1.7
109.02883	4.3
109.06506	1.1
109.10163	3.1
111.04428	1.0
111.08089	1.0
115.03912	32.1
115.11188	59.2
116.98615	1.3
117.05473	1.0
119.08568	0.9
121.10117	1.8
123.04418	5.3
125.06047	0.8
125.09676	1.2
127.03878	6.4
127.11239	1.2
129.09097	1.6
133.02817	1.7
133.04948	27.3
133.12259	1.4
135.04391	1.4
137.06001	1.8
138.06279	1.0
145.04973	4.6
147.04396	1.0
150.07773	1.7
151.03873	1.5
151.11255	0.9
155.10620	1.0
163.03867	1.4
163.06029	1.4
165.16759	0.8
167.45999	0.8
179.01848	1.0
179.03342	25.8
183.44504	0.9
211.13297	3.4
229.14383	1.2
235.00522	1.0
235.02592	1.0
241.07130	1.2
247.15283	2.9
259.08099	1.8
259.15305	1.3
277.16345	3.6
295.10214	1.3
358.71274	0.8
412.40753	0.8
423.75519	0.9
427.19553	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	427.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59722	1.5
51.23381	1.2
53.03940	15.0
55.01859	2.7
55.05505	80.4
57.03416	10.9
58.24259	1.5
59.04989	60.7
61.02901	8.8
63.42359	1.4
67.05486	2.8
68.15259	1.5
69.03065	2.9
69.03416	66.8
69.07058	1.9
71.04968	8.3
73.02900	3.5
75.65709	1.7
79.05472	2.0
81.03397	41.4
81.07057	2.0
83.04964	79.8
85.02892	74.2
87.04445	7.3
91.05472	9.2
92.08791	3.8
92.09315	1.6
93.07017	2.5
95.08559	2.8
97.02870	100.0
97.06520	1.7
97.10127	3.0
99.04429	11.1
100.11218	2.8
101.05997	34.5
105.07003	2.1
107.08535	2.2
109.02876	32.8
109.10191	4.2
115.03908	7.5
119.04921	13.9
119.07037	8.4
127.03889	46.3
133.04962	7.2
145.04932	40.6
147.04387	44.0
168.97018	2.4
187.05988	2.9
189.05569	2.1
209.07938	2.2
214.14119	1.8
217.99054	1.6
227.09081	14.5
245.10162	25.4
272.44199	1.9
289.12384	1.9
298.75870	1.8
335.09616	2.2
379.22815	2.1
391.13950	2.8
416.54407	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	426.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
56.05845	0.8
57.07054	3.1
67.05491	47.1
68.05823	7.2
68.32131	0.5
69.07051	10.0
70.07383	0.9
72.44535	0.6
79.05472	4.2
81.07037	24.8
82.07371	3.0
83.08591	1.4
91.05464	3.9
92.09241	1.0
93.07013	11.3
94.07339	1.3
95.08589	14.7
96.08905	3.0
97.10101	1.0
98.56374	0.7
104.99269	0.9
105.07010	10.2
106.07339	1.3
107.08578	14.5
108.08917	3.4
109.10139	100.0
110.10470	25.1
112.39463	0.6
112.99993	2.5
119.08566	11.0
120.08878	3.8
120.80396	0.7
121.10125	9.3
122.10485	2.9
123.08041	1.0
123.11689	4.5
128.61772	0.7
131.08504	3.2
133.10103	7.4
134.10403	1.4
134.98413	0.6
135.11655	9.5
136.12015	1.3
137.71970	0.6
143.08575	0.9
145.10098	1.3
147.11676	5.7
148.12045	3.2
149.13190	2.7
159.11688	2.8
160.12086	0.8
161.13208	3.2
162.13579	3.2
163.14781	0.9
164.15103	0.9
169.02568	1.0
173.13226	2.8
175.11060	0.6
175.14815	2.9
176.15088	1.0
188.15176	0.8
189.16374	1.6
191.17952	2.4
192.18233	1.1
201.16177	0.8
203.14316	2.6
203.17970	3.1
204.14696	1.1
204.18324	1.3
205.19467	0.9
217.19537	1.2
218.19902	0.9
230.19600	0.6
233.62418	0.7
252.19662	0.8
258.04581	0.7
314.27579	1.0
319.06125	0.7
349.23499	0.8
351.33615	0.7
383.84021	0.7
408.33102	1.3
408.37766	0.7
426.33679	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	427.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.03412	0.6
57.04540	0.3
60.27319	0.1
69.03410	1.2
69.07033	0.7
69.44912	0.1
71.04974	0.2
77.61904	0.1
80.30560	0.1
81.03423	0.2
81.07034	0.1
85.02882	1.0
85.06557	0.1
87.04456	0.4
89.35878	0.1
89.74437	0.1
91.05442	0.2
93.07006	0.1
94.04031	1.5
95.08575	0.2
97.02865	0.7
97.06476	0.1
97.10136	2.8
98.97544	0.1
104.45107	0.1
105.07020	0.1
111.08028	0.1
112.05048	0.1
115.03888	0.5
115.11190	0.8
119.08566	0.2
121.06458	0.4
123.05851	0.1
123.06667	0.9
132.95747	0.1
133.04996	0.7
133.12222	1.5
137.05920	0.1
147.11630	0.1
148.06166	0.2
150.07721	100.0
151.08052	0.2
176.05693	0.1
211.13283	0.2
212.13589	0.1
268.83176	0.1
282.11969	0.5
295.11429	13.0
361.33594	0.1
427.15106	0.2
427.20148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76756	1.2
53.03923	1.9
55.01849	2.8
55.05503	36.1
57.03171	2.3
57.03429	39.0
57.07057	2.3
59.04986	13.7
60.04510	1.9
61.02909	6.3
63.46869	1.1
67.05482	6.8
69.03417	100.0
69.07055	16.0
71.01319	1.7
71.04971	5.7
71.08614	9.8
73.02898	14.8
74.01048	1.2
75.04449	5.6
79.05455	3.2
81.03403	13.2
81.07034	11.4
83.04951	6.3
83.08578	5.2
85.02892	87.6
85.06497	1.4
87.04449	57.4
91.05463	3.2
93.07030	6.8
95.04956	2.1
95.08584	2.5
97.02872	71.3
97.06483	5.7
97.10150	74.5
99.04429	5.4
103.03903	2.2
105.05476	2.2
105.07018	10.4
107.08605	3.1
109.02863	5.7
109.10158	10.2
111.04433	3.0
115.03908	63.6
115.11174	6.7
119.08561	8.7
119.18390	1.3
121.10140	9.6
123.04405	2.5
123.08035	2.0
123.11678	7.8
125.09605	1.5
127.03912	13.8
133.04941	54.1
133.10138	2.6
137.09572	1.9
139.11156	5.6
145.04953	17.4
147.11667	18.2
150.07605	5.3
157.10054	3.0
163.05949	2.9
163.32452	1.5
165.12726	5.6
175.11186	5.8
193.12227	8.2
211.13258	2.4
229.14320	47.2
247.15402	3.2
259.08044	6.9
259.15329	6.2
295.10117	6.7
298.54276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48023	1.3
53.03932	2.0
55.01858	2.1
55.05506	35.7
57.03428	37.1
59.04983	11.1
59.96025	1.5
61.02911	8.6
62.29053	1.8
62.45929	1.7
65.62536	1.6
67.05485	7.9
69.03417	100.0
69.07053	14.9
71.01331	2.0
71.04964	2.7
71.08608	4.5
73.02898	23.7
75.04479	1.9
79.05467	2.1
81.03396	9.9
81.07030	10.8
83.04955	4.5
83.08590	3.1
85.02362	3.0
85.02888	91.5
87.04452	59.1
91.05439	2.3
93.06997	3.3
95.04940	2.4
95.08602	6.7
95.18574	1.8
97.02865	74.7
97.06478	3.7
97.10147	83.4
99.04423	3.2
103.03921	2.3
105.07019	3.5
107.08596	4.3
109.02884	6.7
109.10137	11.2
111.04444	2.1
111.07973	2.1
115.03906	68.8
115.11200	9.3
117.21803	2.0
119.08569	4.5
121.10065	7.5
125.09573	2.5
127.03897	12.5
133.04942	49.4
133.10110	3.3
139.11118	4.0
145.04947	14.1
147.11670	11.2
150.07568	7.1
157.10124	2.7
163.05956	3.1
165.12666	3.0
181.12169	2.9
211.16911	2.2
229.14304	29.8
259.07944	2.8
259.15344	4.2
270.53067	2.3
295.10193	7.4
370.32111	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65868	0.3
53.08035	0.3
53.20138	0.4
55.05503	5.9
57.07054	2.0
65.03906	0.6
66.44891	0.4
67.05491	44.8
69.07049	8.3
79.05467	4.9
81.07035	21.0
83.08632	0.9
87.04442	0.5
89.05988	5.1
90.06360	0.5
91.05451	3.5
93.07023	9.2
95.08587	13.2
97.06491	0.6
97.10172	0.6
105.06355	0.6
105.07012	10.2
107.08581	15.8
109.10138	100.0
111.08041	0.6
117.06978	0.6
119.08547	11.6
121.10096	8.1
121.75217	0.4
123.08017	0.5
123.11655	4.3
129.06914	0.5
131.08545	1.1
132.61943	0.4
133.08588	0.7
133.10104	7.8
135.11676	8.4
135.96686	0.4
137.13246	0.7
143.08524	0.7
145.10095	4.3
147.08061	0.7
147.11642	7.3
149.13229	2.0
151.11180	0.5
157.10135	1.9
159.11673	3.3
161.09601	1.0
161.13272	4.2
163.14807	2.4
164.26134	0.4
165.12740	0.6
171.11662	0.9
173.13196	2.2
175.11179	0.5
175.14845	2.8
177.16516	0.6
179.14264	0.7
185.13234	2.3
187.14799	2.0
189.16341	2.2
191.17876	3.5
199.14769	0.8
201.16359	0.5
203.14273	5.8
203.17966	3.9
207.17412	2.2
215.17879	1.8
217.15891	0.6
217.19475	2.8
239.14906	1.7
240.15218	0.6
281.13498	2.1
281.22711	0.5
302.05475	0.5
309.12912	0.7
365.19260	5.6
425.21359	46.7
425.33002	5.2
425.38065	2.8
426.21710	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
54.81293	0.8
55.05504	21.4
57.07071	6.9
65.03915	1.2
67.05137	1.2
67.05492	30.9
69.03416	1.1
69.07054	28.8
71.04921	0.7
71.08621	1.7
79.05051	1.3
79.05476	20.4
81.07038	72.9
83.04965	0.8
83.08600	14.2
85.06556	1.1
91.05460	17.4
92.08871	0.9
93.07022	53.5
95.04946	4.1
95.08585	100.0
97.06497	6.9
97.10154	9.8
99.08059	3.5
105.07015	45.2
107.08580	76.3
109.06516	4.4
109.10139	66.6
111.08051	3.8
111.11716	1.6
117.07001	3.6
119.07704	1.9
119.08559	53.0
119.89562	0.8
121.10119	48.6
123.08057	3.6
123.11676	24.6
125.09572	6.3
128.16806	0.8
129.06973	1.6
131.08553	12.0
133.10109	38.8
135.08138	1.2
135.11670	48.1
137.09642	1.1
137.13248	13.9
142.07782	1.3
143.08536	8.2
144.09343	1.6
145.10097	18.0
147.11673	31.0
149.13237	28.1
149.76770	0.9
151.11130	2.0
151.14835	1.6
155.08559	1.1
156.09320	1.3
157.10086	7.5
159.11676	20.3
161.13239	29.6
163.14789	14.3
165.12737	1.3
170.10851	1.0
171.11664	5.1
173.13225	9.2
175.11375	0.9
175.14767	17.0
177.16272	5.7
179.14276	3.7
183.11708	3.9
185.13232	16.4
187.14809	9.0
189.16360	24.7
191.17915	20.0
197.13269	3.4
199.14786	6.1
201.12582	0.8
201.16348	8.1
203.14304	17.4
203.17934	15.6
205.15930	1.8
205.19469	6.7
207.17438	11.2
211.14828	1.8
213.16354	4.8
215.17915	7.9
217.15956	1.1
217.19498	13.4
219.17421	1.6
227.17982	3.3
229.19537	1.9
231.21072	1.1
233.18980	1.0
235.20744	0.9
241.19463	1.8
241.77383	0.8
245.22481	1.4
253.19418	1.7
255.21060	1.3
257.22528	1.2
269.22638	1.5
271.20538	1.5
299.27380	1.2
306.46478	0.8
407.32733	5.0
407.37503	8.4
425.33670	17.1
425.37796	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03919	0.5
54.23509	0.3
54.45369	0.4
55.05507	7.3
57.03437	0.8
57.07063	6.9
65.03922	0.6
67.05493	47.6
69.07051	10.2
71.08620	2.3
79.05448	5.0
81.07037	24.2
83.04961	0.5
83.08591	3.1
85.10163	2.3
91.05464	5.6
93.07023	15.3
95.04918	0.5
95.08583	21.1
95.74461	0.4
97.10154	1.1
105.07015	11.6
105.07658	0.7
107.08585	21.2
109.06494	0.8
109.10141	100.0
111.08094	0.8
112.53465	0.4
112.99993	16.7
117.06979	0.7
119.08550	16.5
121.10127	11.8
123.11698	5.3
129.06973	0.5
131.08537	3.9
133.10100	11.2
135.11670	9.2
137.13237	2.8
143.08524	1.7
144.09366	0.5
145.10135	5.3
145.46928	0.5
146.10857	0.5
147.11670	8.9
149.13258	2.4
157.10120	2.8
159.11655	3.8
161.09682	0.6
161.13222	6.3
163.14821	2.2
165.12839	0.6
169.02576	9.4
169.10083	0.7
171.11668	1.8
172.36650	0.5
173.13245	2.8
175.14798	3.5
177.16376	0.5
179.14323	0.6
185.13251	2.6
187.11192	0.4
187.14778	2.5
189.16351	4.4
191.14218	0.5
191.17923	3.4
197.13249	0.7
199.14828	1.8
201.16431	1.8
203.14352	2.3
203.17963	3.3
207.17358	0.8
211.14819	0.4
215.14262	0.6
215.18008	2.2
217.15942	1.0
217.19499	2.1
253.19489	0.5
275.84286	0.5
308.59750	0.5
313.27423	4.1
407.32831	2.1
425.33301	7.5
425.38330	2.9
426.34149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74081	1.6
54.61240	1.7
55.05498	17.0
57.07062	10.4
64.32703	2.1
64.51853	2.2
67.05489	26.2
69.07052	40.4
79.05481	16.5
81.07034	65.3
83.08611	13.3
91.05448	25.6
93.07014	65.0
95.04964	4.2
95.08577	100.0
96.08915	2.2
97.10165	10.1
98.20603	2.1
99.05540	2.3
105.06998	50.8
105.23639	2.0
107.08569	88.4
109.06479	2.4
109.10132	51.6
111.08028	3.1
116.07168	2.2
117.07004	9.2
119.08543	61.8
121.10110	62.8
123.08031	2.2
123.11687	30.7
129.07027	2.7
131.08521	17.3
133.10091	51.8
135.11655	72.2
137.13257	14.8
142.07678	2.6
143.08585	9.6
145.10088	29.1
147.11659	36.7
149.13242	26.5
153.12706	2.8
155.08511	2.5
156.09296	2.9
157.10117	11.3
159.11655	22.2
161.13213	38.8
163.14758	25.0
165.12711	3.0
169.10121	2.3
171.11702	10.8
173.13226	17.5
175.14818	18.2
177.16411	8.3
179.14253	9.3
183.11566	3.5
185.13235	10.2
187.14764	15.7
189.16304	29.9
191.14233	3.0
191.17859	16.7
197.13176	3.9
199.14731	8.2
201.16389	4.4
203.14290	9.3
203.17860	22.9
205.19481	4.1
207.17343	2.9
211.14780	4.0
215.17909	9.1
217.15883	3.1
217.19388	19.0
225.16301	2.8
227.18013	3.1
231.84305	2.7
243.20891	2.4
245.22549	3.3
253.19432	4.3
255.21002	4.0
271.20569	3.1
356.19748	4.2
407.32944	13.3
407.37332	4.2
425.32916	28.7
425.37869	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	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52761	1.7
54.82114	1.9
55.05505	21.1
57.07060	11.4
67.05495	28.2
69.07057	39.3
75.45257	1.8
76.39554	2.1
79.05460	17.7
81.07038	68.9
81.07475	3.8
83.08589	18.6
86.06772	2.1
91.05451	22.2
92.08869	15.1
93.06423	2.8
93.07014	62.6
95.04919	2.8
95.08582	100.0
95.59277	1.9
97.06519	2.1
97.10138	8.6
105.07015	52.7
107.08575	85.8
109.06489	2.6
109.10138	58.0
111.08052	2.4
111.11724	2.7
117.07034	4.0
119.08546	60.8
121.10120	56.4
123.08046	3.1
123.11688	27.2
129.06973	2.7
130.07751	2.9
131.08522	10.2
133.10097	49.0
135.08058	3.6
135.11671	59.7
137.13237	13.8
143.08539	12.5
145.10097	24.4
147.11661	42.9
149.13200	26.5
151.11180	2.2
153.12735	4.6
157.10065	16.4
159.11673	24.0
161.13237	29.6
162.81561	2.0
163.14833	20.9
165.12689	2.3
169.10077	3.9
171.11688	9.1
173.13280	17.8
175.14743	21.9
177.16394	8.8
179.14310	8.2
181.09909	2.1
185.13240	12.7
187.14824	17.4
189.12752	2.9
189.16354	27.4
191.17921	12.8
197.13277	3.8
199.14775	8.6
201.16389	10.8
203.14288	7.8
203.16208	2.4
203.17891	14.8
205.15773	3.5
205.19601	2.5
209.13191	2.9
211.14786	3.1
213.16394	8.4
215.17944	8.4
216.89819	2.3
217.15811	2.8
217.19550	12.7
225.16481	3.6
227.17867	3.7
229.19388	4.0
239.17909	3.7
241.19447	3.0
253.16058	2.3
255.21051	3.3
263.97723	2.3
267.21066	2.9
271.20444	2.5
285.22287	2.9
311.23474	4.2
337.25208	2.9
389.32068	3.0
407.32388	14.5
407.37332	4.7
425.33081	30.7
425.37949	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	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45919	1.8
51.77184	1.7
55.05507	17.0
57.07053	5.6
63.96400	2.1
67.05487	24.0
69.07056	33.4
71.04973	4.9
73.53455	2.0
79.05455	13.2
81.07032	56.5
83.08619	12.4
89.06012	4.9
91.05450	14.7
93.07015	44.9
95.07999	5.0
95.08581	100.0
97.10143	4.5
105.07021	40.6
107.08571	84.3
109.06483	2.9
109.09473	4.2
109.10154	68.4
119.08540	54.6
121.10111	61.2
123.11691	39.5
127.11170	5.7
131.08589	8.8
133.08556	2.4
133.10091	59.3
134.55473	2.4
135.11650	63.4
137.13225	17.1
145.10091	11.5
146.10995	2.9
147.11685	40.3
149.13248	49.3
151.14830	2.8
159.11647	16.5
161.13220	26.2
163.14795	15.0
169.25282	2.9
173.13205	9.3
175.14818	11.1
185.13229	4.7
187.14749	5.1
189.16341	27.6
191.17912	64.3
199.14874	2.4
201.16281	12.7
203.17923	21.6
205.15976	2.8
205.19489	9.8
215.17871	5.8
217.19458	23.1
233.18877	3.7
239.15022	2.5
407.36783	11.0
410.56036	2.8
425.33423	15.8
425.38574	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.0
57.07063	2.9
63.58000	1.1
65.03954	1.3
66.44356	1.4
67.05487	39.1
68.70111	1.2
69.07050	12.6
71.08638	2.2
79.05482	11.1
81.06586	2.4
81.07034	37.4
83.08595	5.7
88.78801	1.3
91.05450	8.9
91.74721	1.1
93.07023	21.6
95.08575	34.7
96.16904	1.4
97.10151	2.0
105.07008	24.8
107.08574	37.3
109.10135	100.0
111.08106	1.9
117.07002	2.2
119.08551	30.5
121.06545	1.5
121.10117	27.5
123.08054	3.1
123.11674	12.9
128.45471	1.3
131.08543	7.9
133.10085	24.9
135.11644	21.6
137.13188	1.3
141.09621	1.4
143.08502	2.6
145.10100	10.6
145.50143	1.4
147.07974	1.6
147.11673	21.4
149.13211	10.9
151.14697	1.5
157.10086	2.2
159.11681	8.3
161.13184	17.9
163.14848	7.4
169.10129	1.5
170.03584	1.6
171.11708	1.6
173.13301	6.2
174.13748	1.4
175.14769	5.5
177.16295	1.8
179.14268	2.9
180.94337	1.5
185.13202	3.0
187.14825	5.7
189.12714	1.7
189.16302	12.6
191.17874	5.4
199.14848	2.5
201.16286	2.6
203.14297	6.9
203.17931	9.5
205.15839	2.0
207.17522	5.5
217.15868	3.2
217.19525	9.4
218.32442	1.4
245.18932	1.8
389.31860	1.7
407.32806	7.3
407.37097	5.4
425.33612	33.6
425.38739	3.7
434.59787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	11.1
56.23646	0.6
57.07068	11.6
59.35678	0.6
67.05489	22.0
67.31970	0.5
69.06708	1.3
69.07056	22.3
71.08606	3.3
79.05464	11.2
80.29345	0.6
81.07037	70.8
83.08599	10.2
89.06017	0.9
91.05456	13.5
93.06580	0.7
93.07023	26.7
95.08582	100.0
97.10111	5.0
105.07008	20.3
107.08570	28.0
109.09385	1.2
109.10137	32.9
111.11719	0.7
117.06989	4.0
119.08557	18.3
121.06459	0.7
121.10117	21.8
123.11684	18.2
129.07018	1.1
131.08533	9.9
133.06491	0.9
133.10101	14.9
135.11661	18.7
137.13231	34.5
143.08543	5.4
145.10085	15.5
146.56914	0.6
147.11665	12.0
149.02336	7.6
149.09589	0.9
149.13243	11.0
150.02689	1.2
151.14792	1.5
154.34061	0.7
157.10074	5.7
159.11682	11.1
160.12431	0.6
161.13237	10.1
163.14799	6.5
171.11613	5.3
173.13205	6.6
175.14769	5.4
177.16383	3.7
179.17978	2.5
183.11562	0.7
185.13239	4.5
187.14734	5.7
189.16333	7.1
189.85457	0.7
191.17888	5.1
199.14833	3.6
201.16360	7.9
203.14223	5.3
203.17921	4.4
205.15921	3.2
205.19464	5.8
207.17397	1.4
213.16385	4.3
215.17860	7.2
217.19548	3.7
219.17459	1.4
219.20969	0.8
227.17976	4.8
229.19516	4.4
233.18956	1.5
243.20927	0.8
245.18980	2.9
247.20604	1.0
255.21069	3.5
257.22638	3.4
269.22702	3.3
271.24164	0.9
283.23944	0.8
351.30493	0.7
407.36905	13.2
425.33325	4.6
425.38440	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	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92999	4.2
55.05498	12.4
57.07053	7.6
66.31184	5.4
67.05486	28.7
67.33184	5.3
69.07058	56.0
78.16343	4.6
79.05473	9.1
81.07043	100.0
81.15996	5.2
83.08611	11.2
89.05997	23.5
91.05461	8.7
93.07030	50.4
93.07566	4.6
95.08582	81.8
105.06999	42.3
107.08562	57.6
109.10154	49.1
119.08539	31.2
121.10115	50.1
123.11717	26.4
130.69405	4.7
133.10103	12.9
135.11679	43.6
136.35376	5.1
143.13536	5.1
147.11690	8.6
149.13200	13.4
151.14818	6.4
159.11673	11.9
161.13188	21.2
163.14793	6.6
175.04320	5.5
177.16423	6.4
189.16324	6.0
194.97377	5.6
201.16441	7.8
295.59882	6.2
304.33954	5.9
323.60934	5.7
346.13531	5.3
400.10815	5.8
425.37659	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
54.82052	3.1
55.05502	17.4
57.07066	15.3
65.42061	2.9
67.05495	18.3
69.07049	23.1
71.08572	3.4
71.27528	3.4
73.65347	3.5
79.05476	20.3
81.06604	3.8
81.07043	68.3
83.04964	4.5
83.08597	7.0
86.36705	3.3
89.06023	43.6
90.06391	3.9
91.05479	19.3
93.07029	47.5
95.08587	88.8
97.10177	6.3
101.74801	3.8
105.07009	40.5
107.08583	81.1
108.55964	3.3
109.10145	42.1
111.08079	3.5
117.06998	6.6
119.08575	77.4
121.10118	55.1
123.11716	17.9
131.08542	23.4
133.08615	7.3
133.10094	42.4
135.07965	4.6
135.11681	28.0
137.13309	14.8
143.08539	16.5
145.10115	44.7
147.11668	29.0
149.13246	19.7
154.42537	3.9
157.10133	24.8
159.11671	26.8
161.13275	24.1
163.14731	6.1
169.10088	5.9
171.11693	14.2
173.13242	22.4
175.14815	7.9
177.11188	4.8
177.16385	4.6
179.14314	6.9
183.11720	15.4
185.13179	15.1
187.14790	18.7
189.16316	36.2
191.14281	4.3
191.17976	13.7
194.38890	4.1
197.13362	6.0
197.55464	3.5
199.14807	14.3
201.16377	8.2
202.16550	3.5
203.14349	6.2
203.17960	7.1
207.17441	5.9
213.16449	4.1
215.17897	14.1
227.17970	17.2
229.19511	6.3
233.18953	4.4
239.14900	27.0
241.19412	13.7
243.21101	5.0
266.62558	3.8
275.19952	4.0
289.92294	3.8
379.33707	7.4
407.33029	22.9
425.21555	6.9
425.34045	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	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43890	1.4
52.65893	1.3
53.03946	2.4
55.05500	16.9
56.08903	1.4
57.07062	7.0
67.05488	28.7
69.07056	31.2
79.05486	17.2
81.07035	64.0
83.08599	15.7
91.05453	15.1
92.29987	1.8
93.07018	48.7
95.04914	2.9
95.08582	100.0
97.10146	9.6
105.07010	35.0
107.08573	72.7
109.10139	64.2
111.08057	1.7
117.06946	3.1
119.08561	46.6
121.10122	56.4
123.11684	28.6
125.09598	2.5
127.11125	1.8
131.08549	11.3
133.10101	43.9
133.21684	1.6
135.11667	45.1
137.13246	15.9
145.10121	16.4
147.11644	32.5
149.13232	36.6
157.10120	7.1
159.11696	18.5
161.13239	25.8
163.14778	16.5
171.11598	3.2
173.13257	8.7
175.14775	17.9
177.16391	11.2
179.14348	2.0
185.13191	3.6
187.14845	13.0
189.16304	18.6
191.14287	2.4
191.17900	41.1
199.14787	3.5
201.16417	7.4
203.17944	18.3
205.19495	9.9
207.17400	2.5
215.17984	7.1
217.19498	18.5
229.19444	2.8
231.20982	2.8
233.18907	6.7
235.20511	1.9
242.93222	2.1
245.22482	2.3
249.49419	2.0
257.22656	2.3
269.22864	2.4
301.25204	3.7
308.62909	1.9
407.32126	3.7
407.36646	10.8
425.32697	2.6
425.38263	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	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.91478	0.7
53.03937	0.7
55.01841	0.9
55.05501	12.4
56.76512	0.8
57.07066	3.8
60.30362	0.8
64.32201	0.8
64.33541	1.0
67.05489	11.9
69.03400	0.9
69.07054	12.9
71.04966	1.0
71.63245	0.8
72.43704	0.8
79.05470	9.3
81.07043	22.7
83.04957	3.7
83.08612	7.8
85.06528	1.1
89.06001	5.8
91.05454	6.3
93.07028	22.4
95.08588	27.0
97.10147	1.2
105.07012	16.8
106.07331	1.2
107.08573	27.1
109.06487	2.2
109.10143	18.2
111.08081	3.4
117.06973	1.6
119.08567	24.0
121.10125	17.0
123.08046	3.7
123.11697	8.4
129.07007	1.5
131.08530	7.5
133.06468	2.0
133.08575	1.0
133.10101	15.2
135.08035	3.9
135.11678	12.7
137.09589	1.1
137.13271	3.9
143.08536	5.3
145.06398	1.2
145.10081	14.3
147.08026	24.8
147.11679	13.2
149.13245	6.9
151.11119	2.1
157.10104	5.4
159.08083	1.1
159.11594	8.7
161.09581	4.2
161.13228	9.2
163.11096	1.5
163.14818	4.9
165.12726	1.8
169.10109	1.7
171.11664	5.7
171.34128	1.0
173.13203	10.2
175.11093	1.2
175.14780	6.0
177.12761	4.2
177.16263	1.2
179.14314	1.3
183.11575	1.4
185.13200	7.8
187.14740	7.8
189.12747	5.7
189.16415	4.7
191.14281	2.0
191.17976	1.6
197.13205	2.1
199.14813	4.1
201.12794	4.5
201.16379	1.0
203.14288	57.7
203.17865	6.8
205.15848	28.5
207.17480	1.5
211.14874	1.3
213.16443	2.0
215.18013	2.1
217.15889	5.5
219.17467	1.8
225.16322	1.3
227.17920	1.5
229.15749	1.6
229.19437	1.3
231.17456	1.5
239.14822	1.5
239.17822	1.0
241.15692	1.4
243.20981	1.8
253.19577	1.7
255.17419	1.5
267.20917	1.1
271.20380	2.0
371.29370	1.3
389.31262	1.9
407.32959	12.9
424.36520	1.2
425.34048	100.0
435.04678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05490	3.0
57.07064	1.2
63.37189	0.5
67.05491	7.3
69.07053	5.9
70.49329	0.4
70.54102	0.5
79.05451	2.2
81.06593	0.8
81.07037	12.9
83.08591	1.3
85.06508	0.7
89.06007	2.8
91.05447	3.3
93.07015	9.6
95.08583	18.7
105.07009	8.0
106.66788	0.6
107.04942	0.9
107.08573	13.6
109.10136	12.7
111.08031	0.6
117.06944	0.5
119.08565	14.6
121.06473	0.8
121.10116	10.7
123.07993	0.6
123.11704	4.8
125.09616	0.5
131.08537	2.5
133.06456	6.5
133.08545	0.6
133.10101	6.9
135.11655	7.1
137.13246	4.2
143.08507	1.0
145.10089	4.3
147.08003	2.6
147.11650	6.3
149.09634	0.9
149.13231	3.8
157.10075	1.2
159.11679	3.4
161.09601	3.3
161.13239	6.1
163.14761	0.9
169.49974	0.5
171.11676	1.1
173.13187	2.2
174.10426	0.6
175.11139	13.7
175.14799	3.7
177.12704	2.2
177.16327	1.1
187.14816	3.2
189.12674	6.0
189.16328	5.9
191.14113	0.7
191.17888	2.1
201.16327	2.5
203.14284	10.5
203.17900	1.1
205.19502	0.6
215.17946	1.8
217.15842	19.8
217.19322	1.8
227.17882	0.7
229.15912	0.8
229.19458	1.1
231.17268	0.7
233.18791	0.6
239.14740	1.2
243.17296	2.0
243.21075	0.9
247.20572	0.6
252.79381	0.5
269.18918	0.6
271.20233	0.6
274.50348	0.5
325.87598	0.6
382.28595	2.4
388.11874	0.5
407.32611	1.1
425.33987	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05495	7.3
57.03422	2.5
57.07068	14.8
67.05502	11.9
69.07064	13.7
71.08625	9.8
71.08961	1.3
79.05470	6.8
81.07034	23.9
82.79897	1.3
83.08605	8.7
85.10151	5.8
87.79098	1.2
89.06017	5.8
91.05474	9.6
92.08623	1.3
93.07015	20.2
95.08591	34.3
97.10149	2.6
99.08018	1.2
105.07008	27.0
107.08586	27.6
109.10143	18.6
111.08103	1.9
113.00002	40.4
119.08558	36.3
121.10120	18.2
123.08044	3.0
123.11677	7.4
129.06956	2.3
131.08548	12.7
133.06473	6.0
133.10097	23.0
135.08005	1.7
135.11673	23.8
143.08546	13.8
145.10133	13.6
147.11638	12.7
148.27997	1.4
149.13275	8.4
151.11237	5.3
155.08530	1.7
157.10133	12.2
159.11685	15.8
161.13203	11.3
163.11162	2.2
163.14809	7.5
169.02577	25.5
169.10141	2.8
170.10869	2.7
171.11694	2.8
173.13246	9.0
175.14763	12.9
177.12730	5.7
177.16368	1.9
183.11710	3.0
185.13226	52.3
187.14824	10.0
189.12709	35.6
189.16302	16.4
191.17982	4.8
197.13229	2.4
199.14708	9.4
201.16389	2.0
203.14278	49.0
203.17934	7.5
207.17480	15.0
213.16446	1.6
215.17863	2.3
217.15849	9.1
221.18962	2.2
225.16615	1.5
253.19547	5.4
255.21130	1.9
291.23184	7.2
313.27301	10.3
389.31995	3.0
407.33151	15.0
408.33612	1.7
425.34045	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	425.3409
Annotation	Maragenin II
Peak:m/z	Relative Intensity
52.99834	2.3
55.05502	7.0
57.07060	4.0
62.42751	2.3
67.05489	23.5
69.07040	22.3
78.02270	2.8
79.05466	17.8
81.07032	66.9
89.06004	18.3
91.05454	14.6
93.07019	41.9
95.04955	4.3
95.08581	73.0
97.10135	4.4
105.07005	25.7
107.08570	59.9
109.06515	10.9
109.10135	30.2
110.42843	2.7
114.31857	2.9
119.08564	52.1
121.10126	51.8
123.08045	3.2
123.11648	18.5
130.86711	2.7
131.08569	16.3
133.10094	33.9
135.08104	4.0
135.11671	41.4
137.13208	12.4
142.07773	3.9
143.08554	16.4
145.10074	29.6
147.11687	26.5
149.09622	5.3
149.13220	12.6
149.43642	2.9
151.11211	3.5
155.08502	5.5
157.10094	24.4
159.11693	24.6
161.13252	21.9
163.14801	6.1
169.10120	5.5
171.11635	24.5
173.13251	21.9
175.14751	11.6
179.14282	4.5
182.10919	4.3
183.11649	13.8
185.13251	16.6
187.14792	14.0
189.16277	10.0
197.13263	12.2
199.14767	6.2
203.14262	6.6
205.15979	4.2
211.14774	3.5
213.16397	12.4
215.17908	6.2
225.16350	13.3
227.17834	29.7
229.19452	17.9
239.14952	7.0
239.17802	10.6
240.18759	6.2
241.19510	25.9
243.21071	4.7
253.19499	11.5
255.21054	4.3
259.20389	4.6
265.19489	5.2
271.20456	27.0
273.21805	3.4
275.20007	4.9
276.29755	2.9
283.20544	15.9
289.21451	25.2
301.21579	15.4
377.40298	3.2
389.31653	4.7
407.32956	42.9
425.34082	100.0
440.94559	3.6
446.85495	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03936	0.4
55.05504	5.7
57.07066	1.8
67.05497	4.4
69.03425	1.0
69.07053	7.9
79.05470	3.0
80.10677	0.4
81.07036	12.5
83.04965	1.9
83.08599	3.6
89.06001	2.9
91.05444	3.8
93.07022	11.7
95.04940	0.9
95.08588	14.2
97.10135	1.1
105.07021	10.4
107.04972	0.5
107.08575	16.0
109.06502	0.6
109.10146	11.0
117.07003	2.1
119.08560	12.6
121.06522	1.1
121.10121	12.7
123.08005	0.8
123.11702	5.3
125.09608	0.5
131.08549	2.4
133.06461	13.2
133.08624	0.6
133.10107	9.2
135.08038	7.4
135.11656	8.8
137.09628	1.0
137.13231	2.8
143.08479	1.7
145.10086	5.2
147.08040	3.9
147.11661	7.2
149.09625	0.6
149.13240	4.5
151.11101	1.8
157.10114	3.1
159.08052	0.6
159.11658	7.4
161.09608	3.6
161.13219	9.3
162.10374	2.9
163.11090	0.7
163.14792	3.4
169.10097	0.7
171.11649	2.4
173.13213	5.2
175.11166	0.9
175.14767	4.2
175.43492	0.5
177.05536	0.5
177.12756	2.7
177.16298	0.6
185.13248	2.1
187.14819	2.8
189.12662	4.3
189.16304	3.3
191.14250	0.9
191.17876	0.9
197.13161	0.5
199.11298	0.8
199.14708	0.9
201.12764	5.1
201.14383	0.5
201.16452	1.6
203.14288	36.3
203.17899	5.7
205.15849	28.3
205.17789	0.9
205.19496	0.9
211.14708	0.6
213.16330	0.7
215.14279	2.0
215.17921	1.8
217.15869	3.8
217.19325	0.7
219.17281	0.6
227.14398	0.6
229.15848	1.8
230.16685	1.8
231.17348	0.8
239.14958	1.6
241.15730	0.6
243.17328	1.8
245.19023	0.6
255.17453	0.7
257.18961	0.9
269.19000	0.6
271.20554	2.5
283.20309	0.6
295.20596	1.0
297.22150	0.9
300.95245	0.6
327.30527	0.9
339.26788	0.7
389.34045	0.6
403.51572	0.5
407.32916	10.9
407.37521	0.5
424.36664	0.6
425.34033	100.0
426.34335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10273	0.4
55.05499	2.8
57.07054	1.1
64.32848	0.5
64.83035	0.5
67.05502	1.0
69.07052	1.3
71.08611	0.8
71.57621	0.6
79.05491	1.0
81.07047	3.9
83.08622	0.9
89.06010	8.6
90.06327	0.7
91.05430	0.7
92.09024	3.7
93.07021	4.2
93.93304	0.6
95.08588	7.1
105.07021	4.8
107.08573	5.1
109.10176	2.4
119.08571	5.0
121.10128	5.3
122.60239	0.6
123.11717	1.0
131.08563	0.9
133.06450	0.9
133.08600	1.4
133.10062	5.1
135.08009	9.2
135.11639	4.2
143.08475	0.8
145.10185	0.8
146.07288	0.9
147.07997	12.2
147.11618	1.2
149.09596	34.2
149.13266	0.7
159.08109	1.0
159.11728	0.8
160.08824	0.7
161.09590	51.1
161.13229	1.2
163.11134	1.1
163.14894	0.9
173.09625	2.8
174.10388	2.2
175.11192	8.0
175.14798	0.8
185.13306	1.1
188.11938	2.3
189.12738	2.4
189.16368	0.8
191.17931	5.2
203.14279	100.0
217.15834	25.3
217.19359	1.1
239.14922	3.9
240.15244	1.2
269.64795	0.6
296.30585	0.6
335.01974	0.7
355.26138	7.5
407.32999	1.0
425.34171	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	425.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86506	1.2
55.05501	16.0
57.07069	18.3
57.17156	1.2
65.03941	1.2
67.05485	25.8
69.07048	22.5
71.08607	7.9
75.87278	1.2
79.05470	15.1
81.07036	62.1
83.04925	1.3
83.08624	9.6
89.06003	15.5
91.05457	15.0
93.07014	45.5
95.04939	2.2
95.08581	100.0
96.03744	1.3
97.10138	3.3
99.08060	7.4
105.07009	33.0
107.08566	56.1
109.10136	41.9
111.08097	2.8
117.06979	7.9
119.08556	51.3
121.06461	2.3
121.10116	43.6
123.08083	2.3
123.11681	18.0
125.09598	2.1
129.06969	5.6
131.08531	25.3
133.08594	5.1
133.10100	36.1
135.11662	23.7
137.13223	19.4
142.07744	5.8
143.08560	17.5
144.09259	1.7
145.10091	39.8
147.11664	23.5
149.05927	1.4
149.13249	19.1
151.11104	1.5
155.08507	6.0
156.09286	2.6
157.10097	42.6
158.10861	2.5
159.11668	31.0
161.13222	17.9
163.14783	9.6
165.12726	1.8
168.09261	2.0
169.10083	2.8
171.11636	34.2
173.13220	25.8
175.11172	1.8
175.14767	13.2
177.16313	5.8
183.11627	13.6
184.12375	3.0
185.13274	15.8
187.14714	11.7
189.16367	13.0
191.17926	9.0
196.12462	2.1
197.13263	6.3
199.14777	23.9
201.16336	15.5
203.14326	5.7
203.17825	5.2
211.14812	7.3
213.16290	13.9
215.17862	19.9
217.19418	2.6
221.15332	1.6
225.16286	1.7
227.17897	45.9
229.19453	17.1
229.21516	1.7
231.21072	2.1
235.16779	1.5
239.14816	2.9
241.19461	18.8
243.21088	6.0
245.18938	1.9
247.16792	1.4
251.17824	1.9
253.19420	8.9
255.21036	8.2
259.20578	1.9
261.18350	9.7
267.20880	2.8
269.22656	2.4
271.20532	17.9
273.18423	32.2
275.20038	5.6
283.24136	3.4
285.22110	2.5
287.20020	13.0
301.21445	3.1
311.23630	1.5
379.33554	18.3
394.68982	1.4
407.32956	21.0
408.33994	3.1
425.33994	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03045	1.0
55.05495	11.6
57.07061	4.9
58.00800	0.9
67.05488	21.7
69.07048	21.6
71.08628	1.0
79.05459	12.1
81.07036	68.0
83.08594	8.9
91.05449	14.3
92.08626	2.6
93.07014	32.7
95.04952	1.7
95.08579	100.0
97.10139	5.9
105.07010	42.1
107.08575	42.1
109.10136	30.6
109.10852	1.8
111.08077	1.7
117.07010	7.5
119.08561	40.5
121.10127	30.3
123.08038	1.5
123.11669	18.8
128.06183	1.5
129.07016	7.0
131.08543	26.2
133.10101	27.3
135.11664	23.3
137.13228	25.7
142.07756	2.2
143.08522	15.4
145.10109	36.9
147.08008	1.3
147.11664	28.3
149.13234	19.9
149.97293	1.4
155.08539	2.2
156.09283	2.4
157.10110	24.8
159.11649	25.0
161.13206	16.0
163.14789	10.1
169.10167	2.1
171.11658	19.7
173.13213	19.3
175.14795	12.9
177.16399	4.9
179.14307	3.0
183.11662	5.0
185.13229	17.4
187.14798	15.0
189.12759	2.4
189.16360	21.2
191.17957	7.4
197.13261	2.4
199.14769	11.8
201.16344	19.5
203.14294	1.7
203.17932	8.4
205.12367	1.6
205.15776	1.7
207.17395	9.6
211.14847	2.7
213.16399	6.8
215.17857	15.4
217.15875	5.1
217.19521	1.9
222.15068	1.4
227.17894	38.9
229.19438	20.4
241.19440	37.8
243.21068	4.9
247.16927	1.8
253.19484	1.9
255.21130	6.2
261.18451	6.9
267.21045	1.7
270.45163	1.4
273.18417	19.4
275.20081	5.5
283.23941	1.4
287.19992	19.4
301.21616	5.4
325.72314	1.3
342.65479	1.3
379.33612	17.6
389.31854	2.6
407.33176	13.1
425.34067	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.6
57.03416	1.7
57.07054	2.5
67.05498	11.8
69.07053	20.3
79.05457	11.5
81.07035	40.3
83.04958	2.3
83.08642	4.1
85.06495	2.1
91.05473	13.8
93.07020	35.2
95.08588	52.8
97.06508	5.1
97.10124	1.5
105.07012	77.1
107.08573	52.4
109.06504	6.6
109.10138	35.0
111.08073	6.7
117.06998	3.2
119.08557	74.8
121.06481	3.3
121.10101	26.0
123.08059	3.0
123.11657	13.6
129.07007	1.5
131.08548	9.4
133.10106	52.8
135.08113	2.5
135.11661	74.4
137.09641	7.8
137.13237	7.9
143.08557	5.9
145.10101	17.6
147.08075	1.8
147.10587	2.6
147.11665	32.9
149.09737	1.9
149.13269	9.9
151.11203	14.0
155.08554	1.6
157.10117	8.5
159.11667	15.3
160.12379	1.9
161.09592	3.3
161.13255	17.5
163.14743	17.7
170.10860	2.2
171.11597	7.0
173.13281	6.4
175.14810	12.7
177.16341	2.6
179.14310	3.3
183.11662	2.6
185.13248	9.0
187.14761	11.0
189.16350	93.9
191.17891	10.6
199.14755	2.9
201.16391	7.2
203.14291	8.1
203.17928	7.7
207.17401	100.0
213.16331	6.5
215.17917	2.3
217.15840	2.5
221.18990	1.7
226.11783	2.0
231.17538	3.0
253.19469	3.1
262.20920	1.6
271.20520	3.2
327.04239	1.5
353.55161	1.6
384.18121	1.5
389.32050	2.4
407.33130	11.9
425.34064	42.2
442.88638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.74009	1.9
53.00304	2.0
53.03938	2.4
55.05497	23.9
57.03421	9.8
57.07066	34.3
67.05494	30.7
69.07055	33.2
71.08617	17.1
76.47872	1.8
79.05477	24.0
81.07034	62.1
83.08614	14.2
85.10172	5.2
89.06003	11.6
91.05457	22.0
93.06480	3.0
93.07030	52.1
93.89707	1.8
95.08578	100.0
97.06505	4.8
97.10148	4.7
99.08006	1.9
105.07014	58.0
107.08577	79.3
107.09291	3.5
109.10140	65.7
110.74843	2.1
111.08057	3.8
111.11735	2.0
112.99997	65.4
117.07012	3.7
119.08559	76.6
121.10117	47.3
123.08023	4.2
123.11670	26.4
125.05942	2.1
125.09630	2.2
129.19679	2.0
131.01039	2.9
131.08557	16.9
133.08551	4.7
133.10097	50.5
133.11028	3.2
135.08054	4.0
135.11688	46.9
137.13216	14.0
143.08543	13.0
145.10127	20.8
147.08009	4.7
147.11665	40.0
149.13229	22.7
151.14879	2.4
157.10074	17.3
159.11661	28.6
160.85503	2.1
161.13220	28.5
163.14783	13.9
165.12665	2.8
169.02567	35.3
169.10100	4.3
171.11656	12.9
173.13220	19.5
175.11067	2.3
175.14758	19.4
177.16341	5.3
179.14264	8.7
183.11658	5.3
185.13231	30.7
187.14743	18.3
189.12769	2.4
189.16327	33.9
191.14285	2.8
191.17953	22.0
197.13191	5.2
199.14798	9.2
201.16414	9.5
203.14272	41.2
203.17969	14.5
205.15840	2.7
207.17413	17.8
211.14702	2.6
213.16388	9.5
215.17914	4.9
217.15955	4.0
217.19524	12.5
221.19026	2.8
227.17850	9.4
239.17818	3.4
241.19467	3.3
253.19627	2.9
257.22592	2.8
261.55853	2.5
271.20697	3.0
313.27341	19.0
389.31595	4.7
407.32852	30.5
408.34039	3.3
425.33716	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3409
Annotation	Maragenin II
Peak:m/z	Relative Intensity
51.49533	2.0
55.05492	17.3
57.07046	5.9
67.05481	23.1
69.07062	26.7
72.00444	2.5
79.05489	22.7
79.05894	2.1
81.07030	63.4
83.08630	6.0
89.05987	16.6
91.05455	16.4
92.08696	2.9
92.09191	5.0
93.07012	43.9
95.08582	73.9
97.10139	5.2
105.07011	41.7
107.08570	72.3
109.06522	4.8
109.10141	50.7
111.08027	2.9
111.11691	3.6
117.06998	4.1
119.08552	63.2
121.10107	51.5
123.08054	6.6
123.11681	19.8
131.08519	17.4
133.10112	40.4
135.11670	43.6
137.09576	4.2
137.13216	5.2
143.08488	11.8
145.10086	24.0
147.11661	31.0
149.09683	9.8
149.13226	20.9
157.10115	19.3
159.11649	26.6
161.13181	21.1
163.14796	11.0
165.09081	11.3
165.12759	4.1
169.10077	6.3
171.11641	21.0
173.13211	20.6
175.11197	4.2
175.14832	11.0
177.16345	5.0
179.14252	4.8
183.11665	11.2
185.13174	17.9
187.14787	16.2
189.16325	16.7
191.17943	4.1
197.13322	3.4
199.14810	17.6
201.16379	11.5
203.14331	11.1
203.17906	6.0
205.16013	3.5
209.13255	4.4
211.14705	3.3
213.16338	10.4
214.84941	3.2
217.19536	4.8
219.17430	3.6
223.14659	3.8
225.16383	5.9
227.17828	6.6
229.19418	3.5
241.19298	6.5
243.21060	5.2
253.19408	11.0
255.20912	9.3
257.22650	2.9
259.20389	3.2
271.20499	16.8
273.22174	5.9
281.18024	3.4
311.23621	3.8
389.31836	12.3
404.66348	3.1
407.32843	47.7
425.28854	6.6
425.33868	100.0
425.38843	5.1
426.18146	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	425.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44753	0.7
51.80192	0.7
53.14180	0.8
54.81398	0.8
55.05500	8.2
57.07056	5.6
63.58696	1.0
64.33086	0.9
66.92429	0.9
67.05481	15.1
69.07048	15.4
71.55515	0.9
79.05476	8.4
81.07031	65.2
83.08598	4.7
89.53294	0.9
91.05456	11.0
93.07016	24.1
95.04947	2.4
95.08578	100.0
96.08891	1.1
97.06482	1.1
97.10122	1.5
105.07006	18.3
107.08570	29.6
109.10148	30.9
117.06985	6.9
119.08543	36.5
121.10110	26.2
123.08041	1.0
123.11677	11.3
129.06967	4.3
131.08524	18.4
133.10091	18.8
135.07965	1.1
135.11655	12.4
137.09544	0.9
137.13223	28.3
137.14207	1.4
141.06955	1.0
143.08575	10.6
145.10103	30.3
147.08008	1.4
147.11676	16.0
149.13235	16.1
151.14774	1.0
155.08507	1.9
157.10107	26.3
159.11646	20.9
161.13208	6.4
163.14813	4.3
169.10036	2.0
170.10757	1.1
171.11656	19.8
173.13228	12.4
175.14806	5.5
177.16312	1.7
179.14323	1.3
181.10078	1.8
183.11626	3.8
185.13263	9.3
187.14822	7.6
189.16324	9.3
191.17918	2.3
197.13217	1.3
199.14760	6.3
201.16350	9.5
203.14270	4.7
203.17905	2.4
207.17403	1.6
209.13232	2.0
211.14732	1.1
213.16382	5.8
215.17911	15.8
217.19618	1.3
227.17889	33.8
229.19466	21.3
231.21085	1.5
239.17793	1.8
241.19475	24.1
243.20999	4.7
245.19081	1.2
253.19350	2.0
255.21001	5.5
261.18466	8.8
264.91037	1.1
271.20483	1.5
273.18390	32.2
275.20129	6.7
283.24158	4.5
287.20004	17.7
293.77960	1.1
301.21518	4.7
309.25656	1.3
321.25702	1.1
379.33493	13.6
407.33331	10.4
425.34348	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	425.1411
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
53.03930	1.2
53.14755	0.4
55.05508	8.3
57.03424	1.2
58.86898	0.4
59.04990	12.2
64.41133	0.4
65.19829	0.6
67.05506	0.5
68.85422	0.5
69.03418	5.9
69.07053	7.6
71.04969	0.6
72.04465	0.6
73.02909	0.7
73.06544	6.2
73.40929	0.6
79.05450	0.6
81.03407	4.6
81.07041	4.5
81.18204	0.5
83.04967	12.5
83.17007	0.5
85.02886	11.9
85.06531	4.2
87.04436	0.9
91.05434	1.1
95.08591	1.0
97.02872	7.8
97.06499	3.6
99.04429	2.6
99.08071	0.7
101.05993	7.4
102.39671	0.5
103.03937	0.7
105.06973	0.7
109.02852	3.5
109.06504	3.0
112.52139	0.5
115.03881	0.6
115.07549	22.8
119.07032	2.3
126.05491	1.0
127.03887	5.6
127.07513	7.9
135.15248	0.6
136.07512	4.2
145.04959	3.0
145.08609	2.9
163.09685	4.9
164.07024	4.4
209.08144	0.9
227.09239	1.2
245.10065	3.9
256.63324	0.5
294.11841	0.6
425.14087	100.0
426.14371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33243	1.9
57.03441	6.3
57.07061	9.9
61.02906	8.6
61.18753	1.8
61.97344	1.8
67.05498	17.4
69.03407	21.3
69.07066	2.8
71.04988	7.4
73.02912	2.5
79.05456	2.0
81.03406	5.4
83.04951	2.2
83.08576	2.2
85.02882	64.0
85.06522	5.2
87.04463	4.2
88.51388	2.0
92.08831	4.6
95.04952	42.4
95.08616	2.2
97.02884	24.2
97.06503	2.2
99.04445	2.7
107.08558	3.9
109.02869	3.6
109.06563	2.6
113.05989	54.8
115.03819	2.8
120.08058	4.2
121.10106	3.9
122.10513	3.1
127.03867	10.4
131.07019	100.0
133.04973	4.1
145.04944	10.8
163.03827	3.6
163.05910	3.1
209.15343	8.2
344.29898	2.3
404.57529	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	425.2531
Annotation	Briarellin N
Peak:m/z	Relative Intensity
55.01854	3.1
55.05495	14.5
57.03417	10.6
61.02903	2.4
62.03786	2.5
67.05485	19.5
69.03117	2.5
69.03418	37.0
69.07040	4.1
71.01339	2.6
71.04957	4.3
73.20138	2.2
79.05470	35.0
81.03400	2.2
81.07027	33.1
83.04948	11.0
84.08969	2.1
85.02891	32.7
85.06512	4.0
87.04440	17.3
91.05462	42.0
93.07020	45.3
95.04934	11.1
95.08576	25.4
97.02870	35.4
97.06548	5.8
99.04478	2.5
105.07013	100.0
107.04955	4.0
107.08575	43.2
107.70257	2.4
109.06483	13.3
109.10146	10.4
111.08055	21.5
115.03904	15.1
115.05408	3.0
117.07001	24.7
119.08561	61.2
121.06490	10.2
121.10090	15.7
123.08065	5.1
127.03920	3.1
127.07504	2.8
128.06209	9.1
129.07010	20.7
130.07701	3.0
131.04900	3.1
131.08540	66.6
133.04929	16.9
133.06470	5.6
133.10103	47.5
135.08038	3.8
135.11612	2.9
137.09604	10.3
141.06921	4.5
142.07755	13.2
143.08542	38.8
143.37852	2.9
145.04976	3.2
145.06458	11.3
145.10109	81.0
147.04471	3.1
147.08025	30.3
147.11659	28.6
149.09610	9.2
150.54294	2.3
155.08527	11.9
156.09319	2.9
157.10103	32.2
159.08015	5.5
159.11607	21.4
161.09586	31.2
161.13297	3.7
163.11113	4.8
165.09117	5.2
169.10089	21.3
171.08058	2.7
171.11646	23.0
173.09578	41.4
173.13312	3.5
175.11162	45.3
177.08963	4.9
181.10110	10.8
183.11617	10.9
185.09584	4.5
185.13203	4.9
187.11131	13.7
189.09023	10.4
189.12712	20.0
191.10661	18.7
195.11661	5.5
197.09599	3.8
197.13242	3.5
199.11397	2.6
203.10568	3.0
207.13647	4.8
209.13229	10.0
211.11179	3.2
213.12733	3.0
215.10553	3.7
221.13329	3.8
225.12761	2.9
233.13326	3.7
243.13759	2.9
249.16368	2.9
251.17801	13.5
269.18893	10.2
275.14297	2.9
287.19968	3.1
293.18661	2.9
307.20444	9.6
317.19022	11.8
335.20047	39.9
343.22736	3.3
353.21039	95.9
371.22070	97.8
389.23007	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71759	0.8
55.01868	1.2
55.05264	1.5
55.05502	25.3
57.03418	2.1
57.07060	4.7
59.04984	4.9
61.02915	1.9
65.85374	0.9
67.05481	7.1
67.62073	1.0
69.03397	9.6
69.07050	12.0
71.04971	10.7
79.05484	7.8
81.03396	5.1
81.07029	15.7
83.04959	20.3
83.08604	25.3
85.02892	19.0
85.06527	9.6
87.04424	1.5
91.05461	5.4
92.09133	1.3
92.92867	1.0
93.07029	29.6
95.04945	84.8
95.08590	15.8
97.02871	4.7
97.06518	11.3
97.10135	6.5
99.04435	16.0
99.08042	1.1
105.06997	10.4
107.08570	39.1
109.06493	12.8
109.10132	17.4
111.08062	8.1
113.05975	5.1
115.07544	1.7
119.08546	11.3
121.10118	89.2
123.04401	1.9
123.08053	12.5
123.11638	5.9
125.09561	8.4
127.03867	1.5
131.08536	2.4
133.10109	24.1
135.08009	6.6
135.11642	6.3
136.07515	1.3
139.11150	24.3
145.10103	2.5
147.11691	4.8
149.09544	1.6
149.13246	6.9
151.11147	24.1
153.09061	16.5
163.14792	15.0
167.14278	27.7
173.13197	11.5
191.14281	20.3
197.11690	8.9
203.80035	1.0
209.11949	3.4
209.15323	100.0
227.16299	2.7
246.62068	1.1
286.26874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
53.03925	2.3
55.01854	2.6
55.05500	29.6
56.96561	0.5
57.03427	5.0
57.07053	3.2
59.04974	3.5
61.02903	3.4
65.03918	0.9
67.05487	11.4
69.03411	13.9
69.07049	12.4
71.04972	10.2
73.02882	1.2
79.05466	9.4
81.03378	3.5
81.06536	0.5
81.07032	23.8
83.04959	26.9
83.08596	26.2
84.04471	0.6
85.02885	25.9
85.06525	8.6
86.09676	2.4
87.04437	3.2
91.05454	10.1
93.07021	22.4
95.04942	45.2
95.08009	0.7
95.08579	17.8
96.05273	3.1
97.02856	8.1
97.06499	13.5
97.10136	5.6
99.04443	5.0
99.08056	2.6
103.05430	0.8
105.07001	20.7
107.04919	3.4
107.08570	35.6
109.02850	2.3
109.06496	32.7
109.10137	29.1
111.04424	1.4
111.08052	9.5
113.05968	2.3
113.09608	2.9
115.03870	3.7
115.07552	3.0
117.06973	5.0
119.04926	2.3
119.08549	14.3
121.06499	4.0
121.10108	38.9
123.04405	7.2
123.08038	4.7
123.11665	10.1
124.04723	2.1
125.05951	0.8
125.09600	9.9
127.03893	3.8
127.07499	1.3
130.07751	0.6
131.08537	14.0
133.10100	45.0
133.40916	0.6
135.08015	6.8
135.11662	8.6
136.07544	2.6
137.05905	2.5
137.09613	2.5
139.07544	1.0
139.11136	4.2
140.04660	2.7
143.08545	2.8
144.09305	0.6
145.04898	1.3
145.06496	0.6
145.10083	13.2
147.04443	1.1
147.07985	0.6
147.11658	14.3
148.04703	0.7
149.05956	0.8
149.09605	4.4
149.13222	13.8
150.05467	3.1
151.11156	25.6
153.09073	10.8
155.06985	2.5
156.07411	1.3
158.10861	4.7
163.11119	4.8
163.14783	7.5
165.05405	0.7
165.12698	3.4
167.07036	2.2
167.14270	28.0
172.74811	0.6
173.09685	1.0
173.13213	24.5
181.15984	0.5
182.08116	0.7
183.06474	4.7
184.06793	3.0
191.10579	5.5
191.14258	24.6
195.06242	0.6
209.11720	8.1
209.15320	100.0
215.13927	0.8
227.12773	8.5
227.16315	14.6
235.26431	0.7
245.13719	0.8
433.79510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61969	0.7
53.03928	1.2
55.01860	0.8
55.05505	34.0
57.03426	1.6
57.07062	3.4
59.04990	3.7
61.02902	1.2
64.01527	0.6
67.05502	7.9
69.03423	6.0
69.07056	11.8
71.04981	6.6
79.05447	5.3
79.91322	0.6
81.03413	1.2
81.07034	12.5
83.04965	19.3
83.08605	25.9
84.78960	0.6
85.02877	7.3
85.06528	6.0
86.09701	0.8
91.05454	5.1
93.07023	30.3
95.04946	23.9
95.08582	10.0
97.02901	2.7
97.06504	9.2
97.10159	6.9
99.04443	5.1
99.08093	1.3
105.07007	9.5
107.08576	39.1
107.09296	1.5
109.06503	11.6
109.10140	17.9
111.04382	1.1
111.08067	7.3
113.05964	1.0
113.09589	0.9
114.36278	0.7
115.07559	9.8
117.06940	0.7
119.08556	10.2
121.06486	0.9
121.10123	82.4
123.08056	3.5
123.11673	5.4
125.09612	7.6
127.03930	0.9
131.08553	6.7
133.10124	17.9
135.08063	3.4
135.11664	5.0
137.09622	1.0
139.11188	1.2
140.81400	0.7
143.08575	1.1
145.10072	5.0
147.11638	6.5
149.09647	1.4
149.13264	5.4
151.11148	28.6
153.09096	7.9
158.10864	0.8
163.14780	16.9
164.27518	0.6
167.14275	32.6
173.08240	0.7
173.13210	11.0
175.14789	3.2
191.10620	0.9
191.14258	18.2
209.11792	4.6
209.15337	100.0
227.12755	2.7
227.16371	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	424.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67494	0.5
51.84399	0.4
53.03934	1.0
55.01865	1.0
55.05490	2.1
57.03213	0.5
57.03431	7.1
59.04991	2.4
61.02907	0.7
67.05489	2.0
69.03416	19.9
70.06568	0.7
70.22022	0.5
70.99561	11.1
71.04961	2.7
73.02887	0.6
75.04446	1.0
79.05479	1.2
81.03394	3.3
81.07039	4.8
83.04948	3.0
83.08569	0.7
85.02888	16.7
85.06527	0.9
87.04449	9.6
89.03878	0.7
91.05459	2.8
93.07025	4.5
95.04955	4.7
95.08579	2.3
97.02869	12.4
97.06503	2.5
100.11243	3.7
105.07001	5.3
107.04918	0.6
107.08585	3.2
109.02863	0.6
109.06496	2.6
109.10136	1.3
111.04418	1.9
111.08054	1.2
112.02173	97.0
113.05933	0.5
115.03907	7.0
115.71272	0.5
117.03341	0.6
117.06960	0.7
119.08550	3.1
121.06496	0.8
121.10129	2.9
123.04382	0.7
123.08039	5.0
127.03864	1.8
130.03201	100.0
131.08556	2.1
132.08887	0.7
133.04959	5.0
133.10092	3.0
134.14610	0.5
135.04382	2.0
135.07980	0.8
139.03880	2.4
139.07541	0.6
145.02942	0.6
145.04987	0.5
145.10094	1.9
147.11673	1.3
149.09581	0.7
153.09180	0.5
156.04182	2.6
163.03857	5.1
163.04994	0.5
163.11148	0.9
164.04222	0.8
171.06517	1.1
179.10600	0.7
191.10617	0.7
197.11736	3.2
207.13721	0.8
208.14024	0.8
209.11716	4.0
209.15346	2.4
227.12735	2.6
227.17633	2.2
245.10042	0.8
245.13860	1.0
292.08453	11.7
424.12061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01855	1.2
57.03418	0.5
61.02906	1.3
63.39433	0.2
69.03415	2.4
73.02881	0.3
74.67310	0.2
78.04686	0.5
79.05453	1.2
81.03387	1.1
83.71807	0.3
84.00625	0.3
85.02888	7.8
85.30791	0.3
89.03868	0.6
91.05460	4.7
92.09014	1.4
93.07014	3.5
95.04946	1.9
96.57457	0.3
97.02865	2.9
99.04368	0.2
103.05455	6.1
106.04150	0.5
107.04945	3.6
109.02853	0.3
109.06518	0.5
117.03333	1.2
119.04903	1.4
121.05609	0.5
121.06478	13.3
123.04411	3.7
124.05181	1.1
127.03881	0.5
127.41677	0.3
131.04910	8.4
131.05884	0.5
133.02829	1.6
134.03632	0.5
135.04373	0.7
137.05956	7.7
140.00012	0.3
140.04657	3.3
145.02835	1.4
145.04907	1.1
147.04410	1.3
148.05185	2.3
149.05960	19.6
151.03915	0.3
152.04645	1.5
155.03398	0.3
155.07050	2.1
159.04387	4.9
161.38454	0.3
162.03072	0.3
163.03844	1.6
163.07486	0.6
165.05443	1.2
167.07001	100.0
176.04669	1.7
177.05429	31.3
180.08678	0.6
181.08525	1.1
191.06963	2.1
194.05675	1.5
195.06540	0.4
197.08073	1.1
209.06032	0.5
209.08058	17.0
227.09102	34.8
237.30881	0.3
302.54510	0.3
396.42380	0.3
424.14975	0.5
446.84570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	6.7
71.95243	0.5
84.10420	0.3
95.17825	0.3
98.97556	94.5
108.76248	0.3
110.17957	0.3
116.98593	80.5
129.66599	0.3
134.03287	0.3
134.99629	43.5
137.31824	0.3
153.00688	6.3
158.01231	0.6
181.97389	0.4
216.98663	0.6
219.02083	0.4
234.99677	2.8
240.98566	3.7
248.41451	0.3
258.99692	47.6
259.99844	1.3
261.00372	0.5
261.02960	2.5
262.03214	0.4
263.02713	0.5
274.97583	0.6
276.08563	0.3
277.00754	100.0
278.00952	2.1
279.01068	0.4
282.01132	0.6
282.99792	2.8
284.00101	0.4
284.99673	0.6
295.01678	1.7
298.97800	0.6
300.02277	2.0
301.00989	6.7
302.01108	0.6
303.00833	2.1
316.98730	1.9
348.13171	0.4
358.99786	0.4
382.99710	3.7
401.00983	18.4
402.01144	0.3
419.01855	5.7
443.01999	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	2.3
53.03936	1.8
54.81476	2.0
55.01859	1.9
55.05503	24.0
57.07051	12.8
60.33466	2.0
65.53713	1.9
67.05485	26.3
69.07056	32.8
71.08627	3.3
73.30116	2.1
75.39713	2.3
79.05463	19.4
79.71713	2.0
80.28455	2.6
81.07034	49.8
81.41789	2.0
81.60404	2.2
83.08611	20.3
91.05463	29.7
93.07008	45.2
95.04929	2.9
95.08577	68.8
97.10146	10.2
105.06991	42.0
107.08575	65.4
107.46306	2.0
109.10130	43.5
112.73092	2.2
112.99993	4.3
117.06977	19.0
117.07721	2.3
119.08549	45.3
121.10123	53.9
123.04376	14.0
123.08083	3.4
123.11684	21.0
125.05937	2.1
127.84643	2.1
129.06950	4.2
130.07767	3.3
131.08510	25.2
132.88495	2.1
133.10094	45.2
135.11633	36.7
143.08521	13.5
144.09277	3.9
145.10098	71.5
147.11656	72.3
149.13213	15.6
151.11101	3.6
154.57370	2.2
155.08516	2.5
157.10033	16.3
159.11638	33.2
161.13196	20.5
163.07404	3.4
163.14801	13.3
169.09996	3.0
171.11597	17.8
173.13248	17.8
175.14763	16.3
177.12645	3.1
177.16299	20.0
183.11761	3.5
185.13190	15.5
187.14783	15.1
189.16331	38.1
191.17867	9.6
197.13214	3.2
199.14778	5.8
201.16356	22.1
203.17874	27.9
207.17409	30.5
213.16342	14.5
215.17879	21.3
217.19414	4.8
225.16277	3.8
227.17914	9.9
229.19400	12.1
233.18890	3.8
239.17897	3.0
241.19572	3.2
243.21002	5.3
255.21039	4.1
267.20807	2.5
269.22623	3.5
367.29712	3.9
387.32324	3.4
405.33786	35.4
423.31079	7.8
423.36588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07599	1.4
53.03929	1.5
55.05507	17.2
57.07062	4.4
67.05497	17.9
69.07053	33.3
71.33906	1.9
79.05466	14.5
81.06589	2.7
81.07031	45.1
83.04939	1.6
83.08593	9.8
91.05459	21.3
92.09016	4.3
93.07024	44.3
95.08578	67.6
95.09194	2.2
97.10146	4.2
105.07017	53.2
107.07857	3.2
107.08581	66.3
109.10143	39.2
117.06987	9.6
119.08562	89.2
121.10112	41.9
123.08086	2.3
123.11696	13.3
129.06981	4.0
131.08539	23.2
133.10115	48.5
133.11055	3.5
135.08051	15.3
135.11665	23.3
137.09596	2.3
137.13269	7.9
143.08534	15.1
144.09315	8.9
145.10110	46.3
147.08014	4.3
147.11661	40.2
149.13237	21.0
155.08559	8.2
157.10080	16.1
159.11642	28.1
161.09613	2.4
161.13199	20.0
163.14766	26.5
169.10123	9.2
170.10883	2.2
171.11668	14.6
173.09592	1.8
173.13211	17.9
175.11197	3.4
175.14772	21.6
177.16324	13.8
179.14227	3.2
181.10168	2.0
183.11641	9.6
185.13225	9.7
187.11162	2.4
187.14780	65.0
189.12839	2.9
189.16350	56.0
189.17932	3.7
191.17839	8.1
197.13223	7.5
199.14804	8.2
201.12679	2.6
201.16393	31.1
203.14296	7.9
203.17905	16.1
209.13268	3.0
211.14880	4.4
213.16382	12.3
215.14307	3.3
215.17917	14.1
217.16019	2.1
223.14928	2.7
225.16342	7.9
227.17911	17.1
229.19513	9.5
239.17960	13.4
241.19460	10.0
243.17404	2.0
250.12827	3.4
251.13321	2.3
251.17720	2.3
253.19510	11.7
259.16858	3.9
265.19434	2.6
273.18353	2.6
285.18457	4.2
299.20090	4.0
369.31198	2.1
370.31775	3.3
377.31998	27.6
405.31339	14.4
423.27936	5.3
423.32449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
54.82391	1.8
55.05501	22.9
57.07056	8.9
63.81030	1.6
66.34297	1.5
67.05492	31.8
69.07055	32.7
71.08604	3.1
76.22789	1.7
76.64767	1.5
79.05469	21.6
81.07037	65.3
83.04960	3.8
83.08598	14.0
85.31478	1.6
91.05447	20.4
92.08995	13.4
93.06474	3.4
93.07019	50.9
95.08584	100.0
97.10143	8.7
101.54302	1.7
104.68674	1.8
105.07008	38.2
107.08579	69.9
109.06467	3.4
109.10142	49.7
117.06982	10.1
119.08555	62.7
121.10130	56.4
123.07988	2.6
123.11684	20.9
125.09583	3.6
129.06975	3.2
131.08539	27.0
133.10098	37.0
135.07988	2.2
135.11670	29.3
137.13245	14.7
142.07777	3.0
143.08540	11.6
145.10091	39.9
147.11700	26.4
149.13226	31.1
155.08525	3.3
156.09344	3.0
157.10101	21.2
158.10825	2.0
159.11678	39.7
161.13225	17.6
163.11182	3.0
163.14781	13.7
169.10103	9.6
170.10922	2.6
171.11642	14.5
173.13222	26.2
174.13976	1.6
175.14783	12.5
177.16345	3.7
179.14354	2.8
183.11674	13.6
185.13182	8.3
187.14757	19.5
189.16365	9.1
191.17967	20.7
197.13278	3.5
199.14828	8.0
201.12704	7.7
201.16365	15.0
203.14377	3.2
203.17928	7.0
205.19470	11.7
210.61290	1.9
211.14859	3.9
213.16354	9.6
215.14281	2.2
215.17816	16.0
217.15788	3.2
219.17450	2.4
225.16391	8.4
227.17894	4.0
229.19455	6.8
233.19121	2.5
239.17839	3.3
241.19479	3.1
243.17467	2.1
243.21141	2.8
257.22635	2.1
285.96985	2.0
377.31799	3.4
405.31082	12.8
405.35788	2.2
423.31189	33.4
423.36172	26.4
434.08600	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58170	2.0
55.05510	17.5
57.07061	9.0
67.05499	22.6
69.03427	2.8
69.07055	35.5
79.05497	18.7
81.07043	54.7
83.08613	11.6
91.05450	22.7
92.70715	2.4
93.07033	35.9
95.04958	4.3
95.08585	85.3
97.06569	3.7
97.10169	3.9
105.07010	33.1
107.08584	54.2
109.06554	2.4
109.10139	39.6
111.08105	2.5
117.07005	5.7
119.08561	56.0
121.10122	32.8
123.08030	2.7
123.11671	16.3
129.06999	10.0
131.08556	39.7
133.10132	29.8
135.08005	3.4
135.11656	25.3
137.13252	11.0
142.07762	3.4
143.08531	22.2
145.10115	36.6
147.08047	2.9
147.11679	22.3
149.13222	10.8
155.08586	17.5
157.10110	27.6
159.08055	3.4
159.11710	17.7
161.09590	2.9
161.13249	16.3
163.14819	14.6
167.08588	3.3
169.10106	21.6
171.11661	18.8
173.09641	8.6
173.13182	17.2
175.14821	10.8
179.14241	3.0
183.11722	14.2
185.13182	11.6
187.11246	3.9
187.14804	19.7
189.16391	22.5
191.17964	4.0
195.11766	2.7
197.13226	13.8
199.14839	9.1
201.12717	18.7
201.16373	11.4
203.14282	33.0
203.17870	3.2
211.14853	4.0
213.12929	2.9
213.16362	13.5
215.14445	2.8
215.17982	4.9
223.14943	4.1
225.16408	18.1
227.17949	16.6
229.19614	3.0
239.17963	33.8
241.19437	5.4
243.17395	4.7
251.17917	4.8
253.19427	12.0
269.18976	13.8
271.17072	5.2
273.18542	4.3
281.22531	17.7
285.18567	9.6
293.22644	4.8
307.24176	9.3
339.23178	3.5
377.32001	37.2
405.31360	13.8
416.33298	2.6
423.32498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.9
53.03933	1.2
54.22334	0.9
55.05499	13.2
55.88903	0.8
57.03417	1.3
57.07061	6.2
62.22034	0.9
65.57695	0.9
67.05493	21.6
69.03406	10.1
69.07048	29.5
71.08591	1.3
73.55557	0.9
79.05471	14.9
81.07037	40.4
83.04922	1.5
83.08607	6.5
91.05457	16.3
92.65580	1.1
93.07021	36.3
95.04952	1.5
95.08580	66.4
97.06493	4.4
97.10126	2.4
105.07012	29.6
107.08573	51.9
109.06493	2.6
109.10138	32.9
111.08080	1.5
111.11708	1.1
117.06952	7.4
119.08550	47.6
121.06487	1.6
121.10110	33.6
123.08042	2.5
123.11655	11.0
129.07005	4.6
131.08543	32.8
133.10109	32.2
135.08000	2.1
135.11668	21.2
137.13237	2.2
141.06926	1.4
142.07751	2.5
143.08539	12.4
144.09341	1.7
145.06476	11.8
145.10092	29.9
146.10825	1.3
147.08002	10.1
147.11665	44.6
149.13222	13.1
155.08522	5.4
156.09303	5.0
157.10112	15.0
158.10907	4.2
159.07983	8.2
159.11668	21.9
161.09627	2.3
161.13203	13.2
163.11186	1.5
163.14790	11.4
165.12727	1.4
167.08514	4.8
168.09335	1.7
169.10123	12.8
170.10837	2.7
171.08061	1.1
171.11655	21.2
172.08751	1.3
173.09619	2.2
173.13210	25.2
175.11172	4.1
175.14801	10.2
177.12680	2.0
177.16341	5.4
179.14340	1.5
181.10088	2.0
182.10876	6.9
183.11639	15.9
184.12366	1.2
185.09631	2.2
185.13252	10.5
187.11121	1.2
187.14740	11.9
189.12799	8.9
189.16342	100.0
191.14290	9.5
191.17941	2.0
193.10118	1.6
194.10854	1.5
195.11668	6.2
196.12430	2.2
197.09544	4.7
197.13190	15.1
198.10289	1.2
199.11090	5.8
199.14789	7.5
200.12086	1.7
201.12730	10.8
201.16368	7.3
203.14285	5.2
203.17838	1.7
205.15823	5.0
207.11554	1.4
209.13214	5.3
211.11119	4.2
211.14774	5.5
213.12778	4.3
213.16350	5.2
215.14275	36.2
215.17824	4.0
217.15805	6.4
217.19402	1.6
221.13197	1.4
223.14847	2.4
224.15553	1.7
225.12749	1.9
225.16197	2.5
227.14319	8.8
227.17888	4.9
228.15013	2.3
229.15834	8.9
229.19493	2.2
235.14919	1.4
237.16345	2.0
239.14265	4.7
239.17897	4.2
241.15752	8.5
241.19510	2.0
243.17349	11.6
243.21013	3.8
249.16336	1.7
252.15105	5.8
253.15765	2.2
253.19406	2.1
255.17400	10.8
255.21242	1.4
256.18161	4.0
257.18945	9.4
263.17853	1.2
265.15729	1.3
267.17355	30.8
268.18091	1.5
269.18924	13.3
269.22339	4.0
271.20508	23.6
281.18924	9.8
283.20490	6.7
285.22021	11.8
293.18973	1.8
295.20551	1.3
297.22217	2.1
307.54105	1.3
309.21994	10.3
321.22046	4.2
335.23581	5.4
387.30392	2.0
405.31281	28.8
405.35458	1.6
423.32184	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	423.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75402	1.3
51.18592	1.3
53.67615	1.1
55.05511	17.0
55.05739	2.2
57.07054	7.1
57.31009	1.3
67.05484	20.7
69.07050	23.5
74.09325	1.2
79.05475	13.2
81.07036	53.7
83.08591	14.1
85.98749	1.3
91.05460	13.3
93.07013	23.5
95.08580	95.6
97.10146	6.8
105.07002	20.3
107.08578	42.3
109.09483	1.8
109.10151	31.4
117.06976	7.4
117.20516	1.4
119.08546	32.3
121.10120	25.0
121.33504	1.3
123.11667	16.2
128.06226	1.7
129.06996	7.2
131.08536	41.4
133.10123	20.2
135.11668	14.3
137.13243	15.4
137.60500	1.7
141.06964	3.4
142.07802	2.6
143.08556	22.6
144.09317	1.6
145.10104	30.8
147.11638	14.5
149.13234	15.7
151.14807	2.2
155.08511	20.8
157.10104	37.0
159.11635	18.0
160.12428	1.3
161.13202	6.9
163.14806	10.6
169.10097	30.4
171.11647	26.3
173.09656	2.4
173.13190	12.3
175.14798	8.6
177.16403	2.9
181.10057	3.2
183.11670	20.6
185.13240	6.4
187.14865	11.4
188.64069	1.6
189.16414	13.9
195.11646	6.3
197.13234	12.9
199.14711	10.7
201.08951	2.4
201.12752	1.9
201.16347	12.7
203.17966	2.0
209.13287	3.0
211.14816	9.2
213.16325	15.0
215.10547	2.2
215.17903	7.4
223.14821	2.6
225.16350	35.1
227.17848	20.0
229.19487	2.8
231.17271	2.0
237.16299	3.6
239.17896	56.8
241.19414	6.5
243.17426	11.7
251.17871	3.3
253.19435	14.0
257.18896	2.5
265.19394	3.0
267.20920	2.6
269.22449	1.8
271.16959	8.1
273.18378	6.6
281.22598	24.2
283.24005	1.8
285.18448	31.0
293.22452	7.2
295.24072	3.6
299.20074	2.1
307.24225	16.5
321.25632	2.6
339.23105	6.9
377.31934	55.5
423.32379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32903	1.9
53.00291	2.4
54.41738	1.5
55.05507	19.1
56.14111	1.6
56.96865	1.6
57.07057	4.5
63.10721	1.8
65.01192	1.5
65.03922	1.6
67.05492	34.9
69.03396	2.7
69.07052	29.1
70.92241	1.7
79.05474	22.8
81.06596	2.6
81.07037	53.7
83.04961	16.3
83.08595	10.8
84.08120	2.6
85.40080	1.6
91.05454	24.1
92.09318	4.5
93.07025	47.1
95.04949	31.5
95.08584	86.2
97.06535	2.8
105.07011	43.5
107.08573	67.1
109.06475	4.3
109.10143	37.0
117.07012	8.7
119.08567	58.1
121.10130	34.7
123.08034	10.4
123.11678	16.2
129.06950	4.6
131.08554	30.4
133.10098	35.3
135.08011	7.9
135.11658	28.2
137.13235	7.2
143.08545	22.2
145.06445	2.4
145.10085	31.8
147.11687	26.5
149.13210	13.4
155.08524	9.3
156.09319	4.7
157.10110	26.5
158.10800	2.8
159.11652	23.3
161.13232	20.1
163.14816	12.9
165.12755	2.0
169.10089	11.6
170.10840	3.2
171.11708	18.6
173.09560	2.9
173.13222	21.8
175.14818	15.0
177.12715	7.3
177.16331	2.3
179.14243	2.9
182.10928	4.1
183.11671	16.8
185.13193	10.8
187.14793	15.1
189.12733	2.6
189.16342	100.0
191.14270	11.4
191.17879	15.5
195.05331	1.8
195.11705	3.1
197.13208	15.0
199.14746	10.8
201.12692	16.9
201.16354	12.7
203.14240	4.2
203.17891	7.6
209.13228	4.1
211.14838	4.4
213.12712	2.5
213.16286	3.9
215.14244	20.2
215.17863	7.1
217.15849	4.4
217.19313	3.0
221.13245	2.4
223.14656	2.4
225.16318	7.3
227.14302	4.5
227.17805	7.1
228.15067	2.7
229.15837	8.7
231.17278	2.1
239.14055	2.4
239.17877	9.8
241.15877	9.0
241.19502	3.3
243.17355	4.2
252.15080	3.1
253.15724	2.5
253.19476	3.1
255.17398	8.6
256.18347	2.9
257.19052	3.9
267.17398	17.5
269.18970	12.7
271.20422	23.5
281.19144	5.6
281.22501	2.5
283.20609	13.9
285.18460	3.8
309.22018	3.2
321.21909	2.7
377.32065	10.1
405.31213	23.0
423.32062	47.0
423.37259	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	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.6
57.03422	1.9
57.07057	7.1
57.96101	1.6
59.19030	1.8
67.05187	1.5
67.05476	16.4
69.07064	24.5
71.04985	1.7
74.28408	1.6
79.05464	13.7
81.07040	36.5
83.08598	7.2
91.05466	16.2
93.07030	35.3
95.08581	44.9
97.06509	1.9
97.10130	2.0
105.07014	30.6
107.08576	48.7
109.06528	3.5
109.10147	27.2
117.07001	4.2
119.08556	53.6
121.06437	1.6
121.10115	40.3
123.08114	2.9
123.11725	13.6
129.06927	4.0
131.08534	22.2
133.06448	3.0
133.10107	36.2
135.08043	3.1
135.11642	26.4
137.13268	3.5
142.07776	3.5
143.08524	10.2
145.06450	9.2
145.10088	23.7
147.08018	9.1
147.11646	22.6
149.09615	2.4
149.13260	11.3
155.08565	2.7
156.09300	4.0
157.06360	1.8
157.10141	19.1
159.08047	14.3
159.11664	21.9
161.09595	13.0
161.13226	29.8
163.11147	2.2
163.14804	7.8
169.10088	8.3
171.08043	3.7
171.11671	12.1
172.08720	4.1
173.09612	11.9
173.13194	16.2
175.11142	7.0
175.14780	15.4
177.12714	3.8
183.11618	10.0
185.09564	8.4
185.13113	12.5
186.10359	11.5
187.11180	20.0
187.14780	11.2
189.12698	9.3
189.16357	37.2
191.14195	3.3
191.17868	7.7
195.11682	3.6
197.09489	2.6
197.13208	7.4
199.11121	9.4
199.14684	3.5
201.12712	70.5
201.16336	9.7
203.14293	100.0
207.17506	13.8
211.11223	2.7
211.14680	2.2
213.12700	9.5
213.16367	2.3
215.14249	20.0
215.17888	3.1
217.15833	7.3
223.14816	2.0
225.12625	2.9
225.16325	2.8
227.14244	17.4
227.17891	9.3
229.15836	10.7
241.15894	4.1
243.17165	5.4
255.17352	8.8
267.17294	8.7
269.18887	33.2
271.20648	2.4
281.18713	2.0
283.20627	2.1
358.56577	1.9
374.60828	2.2
377.31750	2.8
405.31393	36.9
423.32339	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64963	1.0
53.03923	2.0
55.05502	9.3
55.05716	1.1
57.07053	1.1
67.05481	17.5
69.03399	2.0
69.07032	6.1
71.29147	1.0
72.66153	1.0
79.05040	2.0
79.05470	29.8
81.03392	1.3
81.07035	49.1
83.04964	2.0
83.08591	7.6
84.25607	1.0
85.02889	1.9
91.05457	42.7
92.09150	1.2
93.07019	55.7
95.04958	8.6
95.08579	36.4
96.57475	1.1
97.02847	2.5
97.06477	2.5
97.10148	1.4
98.97503	1.2
100.11230	1.3
105.07005	52.0
107.04906	2.0
107.08563	38.3
107.20345	1.1
109.06461	2.4
109.10147	10.9
111.04408	2.2
111.08063	1.6
115.05411	1.6
117.03350	1.8
117.06990	10.1
119.08552	46.7
121.02805	1.1
121.06476	6.8
121.10100	25.7
123.04379	2.8
123.08009	2.5
123.11648	1.1
125.02303	5.2
125.05941	8.1
128.06168	2.2
129.06972	8.6
131.08527	22.1
133.06468	2.7
133.10097	39.8
135.04372	1.6
135.08017	2.8
135.11676	8.2
137.09546	1.2
139.03865	5.1
141.06956	2.6
142.07730	2.4
143.08533	13.3
145.02840	2.3
145.06450	2.1
145.10106	24.9
147.08026	5.2
147.11650	32.2
149.05975	2.2
149.09572	2.2
149.13222	6.3
151.07568	1.8
155.08534	8.4
156.09344	1.4
157.10078	14.0
159.08008	4.6
159.11655	18.5
161.09517	1.8
161.13185	6.1
163.07489	2.6
165.06958	1.4
167.08510	1.7
169.10057	7.8
171.08025	2.4
171.11609	7.3
173.09560	2.6
173.13202	10.7
175.07491	2.0
175.11266	2.0
175.14774	100.0
177.05418	7.6
177.09047	1.2
179.07068	1.4
179.08508	1.2
181.10097	1.8
182.10812	1.4
183.08012	2.2
183.11641	7.1
185.09534	1.5
185.13225	5.0
187.07422	2.1
187.11211	1.8
187.14755	2.1
189.09117	1.1
193.10060	2.2
195.11633	2.7
197.09566	2.7
197.13309	1.6
199.11058	2.2
199.14731	2.7
201.08978	2.0
201.12505	1.2
201.16350	21.0
205.08487	2.4
207.11661	2.2
209.13156	2.1
211.14761	5.2
213.16406	2.3
215.10745	2.2
215.17973	1.9
221.13130	1.7
225.09053	1.2
225.16307	5.7
227.17885	8.8
229.15831	5.8
239.14017	1.2
243.10120	1.6
245.18620	1.3
249.12607	1.3
251.10631	1.5
257.39157	1.2
305.18881	6.3
323.19904	5.5
327.19324	2.1
333.18329	7.3
341.21051	5.1
351.19608	17.2
359.22128	2.7
369.20502	36.8
387.21539	44.7
401.85168	1.1
405.22470	2.6
423.23807	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09072	1.1
55.01862	2.2
55.05504	19.3
56.53091	1.1
57.03422	3.0
57.07056	7.4
67.05493	23.6
69.03418	1.5
69.06711	2.0
69.07052	29.4
71.04967	2.8
71.08590	2.5
79.05476	18.0
81.07036	46.1
83.08604	12.7
85.06522	3.0
87.84512	1.3
91.05471	13.5
93.07021	37.0
95.04942	2.0
95.08579	49.3
97.06532	2.5
97.10154	2.1
105.07008	25.8
107.08570	42.9
109.06500	23.0
109.10143	30.5
109.10854	2.5
111.08054	5.4
117.07000	6.8
119.08551	38.9
121.06499	2.0
121.10115	32.0
123.07148	3.0
123.08042	87.7
123.11646	10.1
131.08575	13.3
133.10101	28.2
135.08026	19.8
135.11650	19.4
137.09590	3.3
137.13206	2.9
143.08530	6.2
145.10120	26.4
147.11656	21.3
149.09608	5.7
149.13228	13.9
151.11217	2.0
155.08661	1.5
157.10120	6.6
159.11659	17.1
161.09651	2.3
161.13206	12.6
163.14801	7.8
169.10103	1.9
171.11641	9.1
173.13246	9.1
175.14784	9.4
177.12755	6.8
177.16365	1.9
179.14275	59.7
179.15736	2.9
183.11684	3.3
185.13242	2.4
187.14742	20.4
189.16328	17.0
191.14427	1.4
191.17926	9.5
191.96481	1.5
193.15854	2.0
197.13199	1.7
199.14848	1.5
201.16377	7.3
203.17961	7.1
205.15942	1.5
207.11697	2.1
213.16502	2.0
215.17850	10.0
217.15904	1.7
217.19453	2.0
227.17914	1.5
233.18979	2.8
243.17357	2.8
247.20567	1.6
253.80624	1.5
255.20839	1.6
275.19916	6.7
293.21176	3.1
303.26810	5.2
331.26221	27.6
349.27231	6.4
405.31018	3.4
423.31024	100.0
423.36169	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	423.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25115	2.1
50.47788	2.0
53.60349	2.3
57.03431	2.7
61.48087	2.5
65.48336	2.2
69.03416	6.0
71.04950	2.8
81.03399	3.6
81.39752	2.7
85.02895	5.9
97.02896	5.2
99.04375	2.4
100.05200	2.7
103.20300	3.2
110.20563	2.5
129.05424	11.7
157.26762	3.2
167.07146	3.1
172.04305	4.3
215.10966	83.2
228.07574	4.3
231.08325	3.0
233.11957	12.3
283.06674	4.2
335.45584	3.2
338.11789	2.6
423.12793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73106	1.6
56.96543	3.4
58.99593	1.7
67.05485	3.4
69.03403	3.9
69.07047	6.5
71.24135	1.7
76.38547	1.6
81.03413	2.2
81.36696	1.7
81.99146	1.6
83.04956	2.2
84.08109	9.8
85.02900	13.8
87.04443	2.2
95.04958	2.1
97.02881	11.7
98.97563	47.0
101.04220	24.5
101.87506	1.8
107.27526	1.6
109.02863	1.7
115.03952	1.8
116.98593	31.9
120.08054	2.0
123.04418	1.7
124.11370	2.3
127.02029	2.7
127.03909	2.6
129.05434	11.0
129.10170	2.5
134.99637	12.6
140.07031	2.1
143.00110	1.9
146.99673	2.7
155.07034	1.5
158.99619	14.9
161.01176	2.4
172.04218	44.1
177.00681	27.9
201.04205	2.1
214.05287	3.3
219.01714	12.6
225.07521	2.3
237.02731	14.6
243.05301	3.5
244.99396	1.8
273.30069	2.1
363.09476	9.8
377.13617	2.5
405.30139	1.8
423.12552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
53.03951	1.5
54.81388	0.8
55.01864	4.4
55.05498	2.0
56.96534	1.4
57.03428	7.6
57.07061	2.0
58.03762	1.4
59.04985	1.3
60.04515	1.4
61.01144	14.0
67.05494	1.6
67.33436	0.7
69.03415	20.5
70.02917	0.9
70.03750	5.4
70.06572	1.1
71.04971	1.8
72.04498	25.2
73.02901	6.3
78.03771	33.8
79.71564	0.8
81.03390	1.0
81.07040	1.0
83.04964	3.7
84.08176	1.2
85.02886	30.0
85.06545	1.7
86.03240	5.7
86.06042	3.4
87.03318	1.5
87.04445	10.4
87.06694	0.8
88.02192	10.1
88.04800	4.0
89.04861	0.9
91.05459	61.8
92.05784	17.7
93.06122	1.6
93.07078	1.0
95.04951	4.1
95.08575	1.0
97.02867	12.5
98.02415	1.5
98.03210	5.3
98.97589	8.1
99.04433	15.9
99.05504	6.0
102.03748	41.8
102.04433	1.4
103.02151	5.6
103.03918	29.4
104.01675	1.7
105.07083	0.9
107.04893	0.9
107.08598	0.9
109.02863	9.8
109.10135	1.1
110.97551	1.1
112.07571	1.5
113.05965	3.2
114.03719	6.5
114.05539	1.5
115.02121	1.0
115.03904	11.0
115.05045	1.7
116.04253	3.6
116.98608	5.3
117.04354	1.9
119.08573	1.3
120.04778	10.9
120.08128	3.0
121.06408	0.8
124.07563	1.6
125.07114	0.9
126.05486	36.0
126.06374	1.7
127.03876	13.1
128.98659	0.9
130.03171	0.8
131.06349	19.1
131.07155	1.0
132.04759	27.1
133.04944	6.9
133.06473	1.7
134.05309	4.8
135.05394	4.7
141.06566	1.4
142.08621	11.1
143.00150	1.2
143.05313	1.0
145.04893	1.2
149.07416	79.2
150.07645	0.9
152.07086	3.8
154.08583	3.1
156.06497	3.3
157.04250	0.9
158.02696	1.8
159.05870	4.8
161.01167	1.4
175.05298	6.4
177.00705	0.9
180.06519	19.5
184.09689	3.9
189.00529	1.0
198.07578	4.7
201.00737	1.5
207.03296	1.3
207.13847	1.1
219.01732	4.7
231.11598	4.9
237.02632	1.6
243.11339	1.0
261.12573	7.5
275.10580	1.0
293.11588	100.0
316.97540	0.9
327.07397	4.3
328.07837	1.8
405.16827	41.0
441.10654	1.9
442.10901	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	423.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93010	0.7
65.52559	0.6
69.03447	0.7
74.46893	0.7
83.94810	0.7
85.02894	1.2
96.57426	0.8
97.02900	1.6
98.98425	0.8
101.00887	0.9
116.10859	0.7
119.01917	4.6
119.57270	0.8
123.77660	0.9
156.02696	1.5
199.04555	0.8
215.01613	100.0
215.11046	7.7
231.08372	76.0
249.08247	5.1
267.09326	1.0
317.10672	3.6
343.08890	0.9
446.49805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	15.2
55.41326	1.7
57.03427	2.4
57.07062	8.0
57.61193	1.4
67.05485	20.7
69.07046	21.7
79.05457	11.4
81.07034	42.0
83.08588	14.8
85.06512	4.0
85.29453	1.7
91.05452	10.8
93.07012	37.1
95.08582	76.3
97.06522	4.1
97.10144	8.6
104.95975	2.1
105.07015	24.3
107.07862	3.1
107.08572	85.0
109.10136	64.6
111.11689	2.3
113.09625	13.9
119.08559	46.6
121.10109	59.0
123.11671	30.8
127.11150	7.9
131.08522	4.6
133.10091	43.8
135.11668	62.8
137.13199	16.7
141.12724	3.0
143.08527	2.7
145.10094	18.7
146.30528	1.7
147.11659	34.1
149.05934	3.2
149.13234	34.6
151.11186	2.2
151.14792	2.3
153.12738	4.0
157.10048	7.8
159.11638	18.3
161.13237	31.6
163.14771	36.7
171.11656	8.4
173.13199	17.0
175.14771	31.6
177.16307	17.2
179.14284	13.9
185.13248	7.3
187.14761	25.6
189.16357	30.6
191.17926	9.4
199.14751	3.6
201.16383	11.1
203.17914	23.5
205.19527	2.1
207.17261	1.9
213.16365	3.5
215.17876	10.5
217.19499	3.4
227.17865	2.4
229.19481	7.9
241.19504	3.0
247.20775	2.0
255.20982	9.6
259.20398	2.5
269.22601	4.1
271.24210	15.6
325.28806	68.6
343.29916	67.1
361.30917	100.0
369.31378	2.6
405.33676	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	422.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
60.07860	1.0
60.08146	16.5
69.07066	0.9
70.06564	1.4
71.07355	5.1
72.57401	0.7
79.95241	0.7
81.07033	1.3
86.09687	44.6
88.07581	1.3
88.67739	0.8
89.97072	0.8
93.06990	1.0
93.63255	0.7
95.08580	1.6
98.98435	4.8
104.10721	100.0
105.06973	0.9
113.05981	1.1
119.57384	0.7
124.99973	30.6
149.02342	9.0
184.07291	29.3
189.79790	0.8
193.04910	5.0
256.26254	1.7
422.29996	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	422.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.6
55.05503	26.5
57.03422	23.9
57.07055	3.4
63.72303	1.5
65.03925	1.5
67.05492	68.2
69.07048	27.1
71.04960	6.9
71.08611	11.8
79.05469	34.8
81.03412	3.3
81.07038	85.0
83.04960	11.1
83.08602	23.7
85.06525	4.0
85.10150	1.7
91.05465	22.8
92.09231	6.2
93.07022	63.5
95.04938	9.9
95.08580	33.0
97.06514	12.8
97.10138	9.7
99.08065	9.8
105.06994	17.1
107.04971	2.3
107.08577	34.0
109.06507	4.1
109.10130	21.7
111.08068	11.8
113.09612	2.9
117.07006	9.3
119.08562	7.5
121.10114	17.1
123.08009	1.8
123.11687	3.5
125.09566	2.6
131.08543	11.2
133.10100	20.1
135.07993	2.7
135.11656	12.3
145.10129	2.2
147.08041	2.1
147.11635	3.5
149.13237	24.0
151.11130	6.9
159.11653	16.9
161.13251	7.3
165.12720	6.7
173.11705	6.5
177.12717	15.8
195.13754	7.7
229.14287	8.7
251.16283	2.8
269.17426	100.0
277.21542	11.7
295.22815	2.2
300.55298	1.8
351.25217	26.0
369.26263	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	422.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
55.05505	33.2
55.85062	1.7
57.03425	16.6
57.07062	3.5
64.33585	1.7
67.05139	2.9
67.05494	77.1
69.07055	25.1
71.04974	7.4
71.08610	11.3
79.05058	2.0
79.05476	38.9
79.36710	1.7
81.03378	2.3
81.07037	96.9
83.04959	10.1
83.08608	20.7
85.06535	2.7
85.10173	2.1
87.36688	1.9
91.05458	30.9
93.07019	70.1
93.07562	3.9
95.04954	7.1
95.08585	29.5
97.06498	16.7
97.10152	10.0
98.40400	1.9
98.97549	1.9
99.08078	9.7
100.10206	1.9
105.07011	16.8
107.04928	2.2
107.08572	38.7
109.06470	3.0
109.10133	23.8
111.08095	13.3
113.09673	2.1
113.99879	1.8
117.07004	13.3
119.08562	12.7
121.06460	1.8
121.10126	18.9
123.07999	2.4
123.11686	3.8
125.09561	6.9
129.07002	2.2
131.08546	14.9
133.10120	19.3
135.11682	13.4
139.11177	1.7
143.08568	3.1
145.10092	4.3
147.11688	3.9
148.60031	2.0
149.13223	29.0
151.11165	8.7
159.11665	21.7
161.13258	3.9
165.12747	2.8
173.11710	7.5
177.12698	21.8
179.14255	7.6
179.43120	1.7
182.52284	1.7
195.13782	8.8
206.26971	1.7
229.14359	17.7
260.17029	1.8
269.17426	100.0
277.21567	12.3
295.22745	2.6
351.25238	26.8
363.01645	2.0
369.26343	24.4
404.21155	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	422.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68568	0.4
57.03428	74.6
57.07067	3.7
71.08610	3.5
81.07005	0.5
89.06008	0.5
93.07065	0.4
109.10123	0.5
121.02835	0.6
121.69356	0.5
127.11166	100.0
142.82288	0.5
149.02325	16.7
194.58841	0.4
232.24615	0.4
251.36275	0.4
257.72528	0.5
325.91010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.6
53.55507	0.6
57.07065	18.4
71.04978	8.7
71.08614	19.4
79.69237	0.8
84.44943	0.7
89.06012	1.7
95.25419	0.6
99.09888	0.7
113.13282	1.0
114.36457	0.7
121.02849	8.2
127.11171	6.6
142.30110	0.7
145.12198	1.2
147.77267	0.8
149.02319	100.0
167.03377	3.0
387.90796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.3
55.05485	0.4
57.06814	0.4
57.07065	8.3
58.06577	0.8
65.03920	2.4
70.06202	0.7
70.06576	16.4
71.08612	2.7
72.08125	0.4
85.10170	0.5
88.07610	20.2
92.08923	1.7
95.04919	0.3
102.09159	15.8
121.02841	1.5
135.00171	0.3
139.03894	2.4
149.02324	100.0
149.03360	4.6
185.13303	0.4
193.04930	88.1
212.23790	0.5
256.26285	40.5
422.28928	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53332	0.6
57.06812	1.0
57.07066	18.2
65.03930	0.8
65.32976	0.7
71.08614	21.7
87.04431	1.0
96.56176	0.7
104.24413	0.7
104.99186	0.9
113.13242	1.9
117.02122	0.8
121.02843	4.9
127.11161	1.2
145.12230	1.1
145.30942	0.9
149.02318	100.0
160.28964	0.8
167.03456	1.2
174.17847	0.8
188.37518	0.7
420.43982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.8
55.01852	14.2
55.05510	27.9
57.03419	15.7
59.04984	4.4
60.19135	2.3
61.02902	6.7
67.05476	10.9
69.03412	32.9
69.07045	15.7
71.04980	4.7
79.05467	19.5
81.03395	40.7
81.07037	30.8
83.04961	31.7
85.02885	64.9
87.04424	11.5
91.03896	2.5
91.05454	40.1
92.09293	3.2
93.07021	27.3
95.04935	77.8
95.08567	25.4
97.02876	26.3
97.06496	12.9
98.97538	5.7
99.04430	15.1
103.05403	3.5
105.07011	47.0
107.04889	3.9
107.08572	32.1
109.02856	5.7
109.06491	39.4
109.10125	15.1
111.08025	5.4
113.05929	4.5
115.03934	4.1
117.06964	5.6
119.04897	4.6
119.08540	31.8
121.06445	11.5
121.10113	31.0
123.04436	27.2
123.05260	4.0
123.08022	19.4
123.11668	5.9
125.06003	3.9
125.09582	4.9
127.03894	5.4
129.05446	55.7
129.06989	11.8
131.08557	59.1
133.02806	6.6
133.06467	4.4
133.10085	16.9
133.91740	3.1
135.07993	2.9
137.05948	65.5
139.11073	5.5
140.04654	3.0
143.08524	4.8
145.04904	5.4
145.10071	5.6
146.67477	3.0
147.07988	4.4
147.11674	33.4
149.09586	27.5
151.07520	6.9
155.07018	6.7
156.09299	6.8
159.11606	5.0
161.13217	11.1
165.05411	47.0
165.12672	6.5
167.06981	20.4
167.10599	3.4
171.11626	6.6
177.12732	3.3
177.49324	2.5
179.06984	93.7
181.08481	5.4
182.05556	3.8
183.06488	13.3
189.12730	26.9
193.04907	5.9
195.10011	3.1
197.08046	83.2
207.06577	3.7
207.10199	5.0
207.13760	60.5
222.85413	2.9
225.07393	5.0
225.14812	68.2
243.08588	100.0
243.15793	5.8
421.16589	15.2
422.17001	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01850	1.1
55.05506	15.2
57.03430	6.9
59.04980	0.9
61.02907	4.0
67.05480	5.7
69.03061	0.9
69.03414	14.9
69.07039	4.0
71.04984	7.3
72.93707	0.7
73.02881	1.3
76.70803	0.6
79.05461	4.1
81.03408	5.5
81.07039	6.3
83.04960	18.2
83.08611	1.6
83.37923	0.6
85.02887	26.7
85.06538	0.7
86.99028	0.9
87.04452	5.3
91.03899	0.7
91.05468	6.5
92.08711	0.8
92.91144	0.7
93.07031	10.0
95.04945	100.0
95.08585	6.1
96.41178	0.6
97.02857	10.8
97.06507	4.6
99.04430	14.2
105.00038	1.0
105.07016	9.8
107.04938	1.2
107.08574	15.6
109.02850	4.4
109.06490	8.4
109.10138	19.7
111.04408	0.7
111.08059	4.3
113.05951	0.9
114.38261	0.7
115.03879	0.8
117.07011	1.4
119.04883	1.0
119.08543	10.7
120.07994	0.8
121.06428	0.8
121.10109	12.7
123.08041	18.7
123.11649	3.7
125.05953	1.5
125.09618	5.6
127.03884	2.8
130.07768	2.7
131.08527	4.0
133.04962	1.6
133.10089	3.4
135.08000	3.1
135.11642	3.8
137.05894	1.1
137.09587	4.0
138.09044	1.1
141.09029	0.8
143.08542	1.6
145.04944	3.2
145.10097	13.2
147.04358	0.9
147.07994	1.6
147.11687	8.8
149.09583	13.6
151.07524	2.5
151.11107	1.2
152.08290	0.7
153.09070	16.4
156.09315	3.9
159.11626	3.0
161.09639	0.8
161.13211	5.8
161.96156	0.8
163.11153	9.2
165.09074	1.5
165.12788	5.0
167.06900	1.2
167.10651	1.2
169.12190	13.0
171.11690	5.8
174.10187	0.7
183.06483	6.8
189.12724	9.9
207.10112	2.7
207.13815	9.0
207.15611	1.0
225.11192	2.8
225.14807	55.2
243.12148	1.3
243.15860	14.5
260.08646	0.8
297.68845	0.6
387.19983	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	422.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01861	3.5
57.03428	3.6
61.02913	5.4
61.88943	0.6
65.03929	1.2
66.84031	0.8
69.03417	10.3
72.82824	0.7
73.02904	1.1
74.95919	0.7
79.05464	11.1
80.28459	0.7
81.03400	5.4
81.07028	10.6
82.06544	1.0
85.02369	1.0
85.02888	30.6
86.09714	0.9
87.04474	0.9
91.03941	1.1
91.05464	37.8
92.08743	1.2
92.09202	1.1
93.07055	0.7
94.04168	1.4
95.04951	5.5
97.02878	9.7
99.04446	0.9
100.02185	1.8
105.03390	4.0
107.04940	29.5
109.02870	3.0
109.06503	42.0
119.04915	14.1
119.05690	0.9
123.04421	1.3
127.03895	1.1
133.02834	15.4
135.04391	19.5
135.56633	0.8
137.05957	79.6
145.04965	3.2
146.03575	1.4
147.03293	1.1
147.04395	24.2
158.75706	0.8
163.03900	4.6
165.05441	47.2
167.06982	2.9
171.01077	3.5
175.05019	4.2
179.07036	3.9
180.04115	9.9
180.08682	3.4
193.04936	95.1
194.05754	1.1
195.06644	1.5
197.08054	22.1
197.09666	1.2
207.06490	12.9
213.28546	0.7
214.10522	0.9
225.07536	100.0
233.83299	0.8
423.14276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01850	1.1
55.05506	15.2
57.03430	6.9
59.04980	0.9
61.02907	4.0
67.05480	5.7
69.03061	0.9
69.03414	14.9
69.07039	4.0
71.04984	7.3
72.93707	0.7
73.02881	1.3
76.70803	0.6
79.05461	4.1
81.03408	5.5
81.07039	6.3
83.04960	18.2
83.08611	1.6
83.37923	0.6
85.02887	26.7
85.06538	0.7
86.99028	0.9
87.04452	5.3
91.03899	0.7
91.05468	6.5
92.08711	0.8
92.91144	0.7
93.07031	10.0
95.04945	100.0
95.08585	6.1
96.41178	0.6
97.02857	10.8
97.06507	4.6
99.04430	14.2
105.00038	1.0
105.07016	9.8
107.04938	1.2
107.08574	15.6
109.02850	4.4
109.06490	8.4
109.10138	19.7
111.04408	0.7
111.08059	4.3
113.05951	0.9
114.38261	0.7
115.03879	0.8
117.07011	1.4
119.04883	1.0
119.08543	10.7
120.07994	0.8
121.06428	0.8
121.10109	12.7
123.08041	18.7
123.11649	3.7
125.05953	1.5
125.09618	5.6
127.03884	2.8
130.07768	2.7
131.08527	4.0
133.04962	1.6
133.10089	3.4
135.08000	3.1
135.11642	3.8
137.05894	1.1
137.09587	4.0
138.09044	1.1
141.09029	0.8
143.08542	1.6
145.04944	3.2
145.10097	13.2
147.04358	0.9
147.07994	1.6
147.11687	8.8
149.09583	13.6
151.07524	2.5
151.11107	1.2
152.08290	0.7
153.09070	16.4
156.09315	3.9
159.11626	3.0
161.09639	0.8
161.13211	5.8
161.96156	0.8
163.11153	9.2
165.09074	1.5
165.12788	5.0
167.06900	1.2
167.10651	1.2
169.12190	13.0
171.11690	5.8
174.10187	0.7
183.06483	6.8
189.12724	9.9
207.10112	2.7
207.13815	9.0
207.15611	1.0
225.11192	2.8
225.14807	55.2
243.12148	1.3
243.15860	14.5
260.08646	0.8
297.68845	0.6
387.19983	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	422.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
53.18876	0.2
53.95694	0.2
55.01847	0.4
55.05486	0.4
57.03399	0.5
58.83982	0.2
60.27951	0.2
61.02897	0.5
67.05478	0.5
69.03413	2.6
69.07037	0.3
71.04970	1.1
73.02904	0.3
73.26302	0.3
77.03917	0.3
78.53251	0.2
79.05460	1.0
81.03377	1.8
81.07026	0.4
83.04949	0.5
85.02883	4.3
85.06524	0.4
86.09671	0.3
86.68462	0.3
91.05454	4.4
92.09296	0.3
93.07014	9.9
95.04935	2.5
95.08590	0.5
97.02888	1.8
97.06495	0.2
99.04395	0.8
103.05443	4.8
105.04431	0.3
105.06995	1.8
107.04932	0.5
107.08569	1.0
109.02863	1.1
109.06502	0.4
109.10127	1.0
111.08071	0.5
113.06017	0.4
119.04911	0.4
119.08543	1.1
121.02840	15.8
121.06474	100.0
121.10058	2.1
122.06847	0.4
123.08047	0.6
127.03854	0.6
132.04532	0.2
133.10132	0.4
135.08031	0.4
135.11691	0.3
137.05934	1.3
137.09566	0.4
137.29388	0.3
139.03868	9.6
139.11172	0.5
145.04942	0.5
145.10126	0.3
147.04329	0.4
147.08000	0.2
147.11636	0.5
148.05183	2.7
149.05934	0.4
149.09570	0.5
150.06729	0.4
151.07523	3.4
151.11130	0.3
155.63770	0.3
159.06456	0.3
163.11224	0.3
165.05542	0.3
165.09140	1.2
166.06221	0.6
167.00888	0.2
167.06982	2.6
168.07761	0.5
176.08307	0.6
179.10652	0.3
180.07729	0.6
181.08546	44.3
193.08635	1.0
195.10077	3.2
207.10127	2.6
207.13799	2.0
225.11156	8.9
225.14571	2.0
243.12207	5.2
243.15916	0.3
283.07965	1.0
327.59586	0.3
371.95483	0.3
375.23209	0.4
421.23813	0.4
422.24323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3673
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05505	28.0
57.07063	4.3
64.43320	2.8
67.05486	4.7
69.07050	38.8
79.05478	3.5
81.07044	14.9
83.01321	13.6
83.08612	17.9
88.54338	2.8
93.07030	13.5
95.08578	17.2
97.06531	3.4
97.10145	5.6
103.86465	2.4
105.06980	2.9
107.08595	12.0
109.10153	12.3
111.08065	4.6
114.80725	2.9
119.08528	3.6
123.08017	10.1
123.11755	3.0
124.59123	2.6
125.05961	11.0
125.09599	10.3
131.08522	2.9
137.09647	3.4
139.07520	32.5
151.11176	6.1
153.09119	4.3
167.10687	6.0
181.12207	13.3
195.13762	13.5
209.15375	12.4
223.16930	3.1
265.21600	4.0
374.83023	2.7
403.35849	23.7
421.36713	100.0
438.82416	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	421.3673
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.77940	0.9
53.03939	1.7
54.06516	0.9
54.81607	1.2
55.01860	2.2
55.05506	15.7
57.03422	2.0
57.07061	9.5
59.62886	1.2
67.05489	19.5
69.07056	23.6
71.08606	1.5
76.56310	1.1
79.05479	2.0
81.07038	7.6
83.08607	12.6
85.10159	1.6
91.05465	10.1
93.07021	68.4
95.04974	4.4
95.08587	36.3
97.06502	1.8
97.10155	6.3
105.07022	1.6
107.08569	7.5
109.10149	2.5
111.08067	32.6
111.11713	1.5
121.06499	4.2
121.10135	4.1
123.08102	1.7
123.11718	2.0
127.07501	4.3
133.10062	1.2
135.08028	1.7
135.11633	1.2
137.09665	1.6
139.06476	1.3
139.07515	34.7
151.11195	1.8
153.09077	21.3
157.08609	4.6
167.10631	12.5
167.24472	1.1
179.62933	1.1
181.12186	11.8
193.12161	1.9
195.13742	8.0
207.13771	2.2
209.15385	5.4
223.16893	1.6
265.21613	1.5
307.26468	1.2
403.35635	20.1
406.17273	1.2
421.36673	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	421.3671
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
54.06396	1.6
54.81657	2.0
57.07067	3.2
60.68096	1.8
71.08612	2.1
79.05454	2.2
80.06248	3.5
81.07015	2.7
83.08595	1.9
95.08560	3.1
99.04427	23.7
106.20399	2.3
125.05984	4.2
128.90590	1.9
131.47466	2.1
138.06754	8.4
149.05899	2.9
151.07521	41.9
163.07497	8.8
165.09067	2.7
177.09096	15.2
178.09853	44.1
179.10641	10.6
191.10889	2.1
214.33348	2.5
246.23747	2.1
403.35614	100.0
421.36700	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	421.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.3
57.07050	3.6
59.86874	1.6
67.05484	18.8
67.28634	1.8
69.07053	27.3
77.56725	1.8
79.05463	12.4
81.06684	1.8
81.07041	36.3
83.08594	10.2
91.05447	14.4
93.07022	44.5
95.04915	2.0
95.08585	60.8
97.10163	4.0
105.07011	30.2
107.08583	52.1
109.10151	22.2
111.11706	3.3
117.06985	2.7
119.08556	39.3
121.10115	25.8
123.11658	10.1
128.06209	2.5
129.06995	2.9
131.08557	23.3
133.10107	44.9
135.11646	22.2
137.13217	4.5
141.06952	2.2
142.07834	2.9
143.08549	24.5
144.09364	2.7
145.10103	43.0
147.11664	23.8
149.13300	20.0
155.08505	14.9
157.10068	29.3
158.10904	2.4
159.11646	22.3
161.13179	17.2
163.14760	10.9
166.07861	2.2
167.08501	4.2
168.09259	3.1
169.10086	50.3
170.10733	2.3
171.11639	25.0
173.13246	14.6
175.14771	13.7
177.16409	2.4
179.08507	2.0
181.10051	16.4
183.11661	35.7
185.13243	14.8
187.14763	11.1
189.16324	4.2
193.10109	4.7
194.10884	2.4
195.11626	20.8
196.12398	1.9
197.13161	15.8
199.14795	11.0
201.16284	4.9
207.11676	11.3
209.13173	16.5
211.14886	4.2
213.16345	9.8
215.17900	12.1
221.13248	8.7
223.14738	13.7
225.16331	7.5
227.17880	10.4
235.14841	4.4
237.16245	27.4
239.17865	38.4
241.19466	4.9
249.16299	4.0
251.17839	13.2
253.19421	17.4
263.17990	4.5
265.19525	15.5
273.18457	3.8
277.19556	2.9
279.20999	24.7
283.16702	4.3
285.18414	39.3
291.20938	3.6
297.18396	11.8
299.19919	7.9
305.22568	10.7
311.20004	9.0
319.23999	4.1
325.21530	22.6
333.25735	2.7
337.21640	6.8
351.23007	7.8
365.24734	3.6
375.30371	38.7
421.26117	5.0
421.30835	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	421.331
Annotation	6-Ethylchenodeoxycholic acid
Peak:m/z	Relative Intensity
55.05499	8.9
67.05473	22.7
69.07046	29.3
79.05473	5.7
81.07029	52.3
83.08595	10.2
86.95743	5.5
91.05460	12.7
93.07014	43.4
95.08598	71.9
99.91816	5.8
104.99243	6.7
105.07018	29.3
107.08575	83.9
109.10148	56.9
113.09624	6.8
114.34811	6.5
119.08566	59.0
121.10127	61.7
123.08139	4.6
123.11660	24.3
127.11248	7.4
129.06929	8.3
130.57411	5.6
131.08484	6.7
133.10103	36.1
135.11682	49.9
137.13239	8.2
143.08563	10.6
145.10080	29.4
147.11674	35.3
149.02310	21.9
149.13214	33.6
152.84717	5.1
155.08533	8.6
157.10065	10.8
159.11627	26.0
161.13223	24.2
163.14828	36.0
169.10072	8.5
173.13226	8.2
175.14798	27.0
177.16383	9.2
179.14162	8.4
180.53000	4.9
185.13248	9.5
187.14798	26.3
189.16374	31.7
193.04994	22.5
201.16435	6.3
203.17908	8.8
209.13214	5.5
213.16370	8.1
215.17856	6.6
228.00182	5.4
229.19479	6.0
256.26114	8.3
271.24042	6.5
282.81500	5.1
310.86819	6.3
325.21768	10.3
325.28763	42.5
338.96597	10.6
343.29852	63.2
348.99744	5.4
356.97760	10.4
361.30978	100.0
401.72256	5.5
421.25687	13.5
421.30328	15.7
422.28952	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	421.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05497	18.5
57.07056	1.5
63.92473	1.4
67.05484	14.2
69.07050	34.9
70.94835	1.4
74.27792	1.7
75.31860	1.5
77.09122	1.6
79.05455	11.7
80.80254	1.9
81.07034	31.8
83.08587	7.2
91.05447	14.7
93.07017	33.9
95.08584	53.1
97.10141	2.4
105.07009	28.0
107.08569	50.3
109.10121	22.7
111.11678	2.5
117.06980	3.2
119.08546	45.2
121.10094	31.6
123.11663	10.9
129.06956	3.6
130.35182	1.6
131.08551	19.7
133.10103	46.2
135.11670	17.0
137.13249	4.2
141.06987	2.5
142.07710	2.6
143.08543	21.5
145.10114	34.6
147.11644	20.0
149.13252	18.8
154.07764	2.2
155.08525	11.4
156.09393	1.8
157.10095	37.8
159.11658	21.9
161.13257	14.8
161.14365	1.8
163.14764	10.6
167.08540	6.7
168.09213	2.4
169.10071	48.0
169.11388	2.7
170.10843	2.5
171.11646	24.9
173.13164	16.0
175.14738	14.3
177.16258	2.9
179.08479	2.3
181.10095	16.4
183.11646	30.9
185.13190	13.6
187.14806	10.2
189.16399	3.5
193.10065	6.9
195.11667	26.8
197.13237	16.4
199.14746	11.5
201.16425	13.3
207.11620	3.2
209.13269	12.4
211.14835	8.0
213.09041	1.8
213.16248	12.9
215.10603	2.4
215.17921	11.4
215.48575	1.8
221.13252	2.6
223.14687	15.1
225.16333	7.9
227.17912	10.3
235.14815	3.2
237.16338	26.7
239.17868	37.1
241.19505	7.2
245.19009	2.0
247.16838	2.1
249.16333	3.1
251.17848	14.7
253.19437	10.9
255.21107	2.1
259.16962	2.5
261.18500	3.1
263.17816	8.8
265.19421	11.7
267.21021	2.6
273.18436	3.5
277.19525	7.6
279.20987	24.4
283.16949	4.3
285.18463	34.7
291.20880	3.1
293.22733	2.4
297.18393	7.2
299.20065	8.0
305.22601	11.6
311.19958	7.7
319.23999	7.1
323.19989	2.2
325.21564	21.2
333.25650	3.8
337.21536	10.0
338.17267	1.9
351.23163	2.5
354.32657	2.0
375.30392	37.0
378.25601	3.5
379.26746	2.3
421.30823	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	421.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49431	1.3
53.03940	2.3
55.01864	3.3
55.05500	3.4
59.38855	1.2
61.02917	3.4
62.37771	1.4
67.05492	10.7
69.03433	2.9
69.07048	5.9
75.04527	1.3
79.05470	24.7
81.03391	1.9
81.07043	18.5
83.08598	2.7
85.02904	1.5
87.76274	1.5
91.05460	28.5
93.07021	100.0
95.04949	8.2
95.08596	11.8
97.06512	2.8
98.97565	3.5
105.03384	2.5
105.07015	29.4
106.63290	1.7
107.04935	7.8
107.08574	49.6
109.06495	34.8
109.10112	5.2
110.50458	1.6
111.04495	1.8
111.08063	7.4
116.98604	1.8
117.06987	10.4
119.08551	16.2
121.06497	7.4
121.10134	13.6
123.08024	7.6
125.05960	14.0
128.06183	2.0
129.06990	9.6
130.07733	1.6
131.08548	28.4
133.06465	2.8
133.10086	11.1
135.08025	15.6
135.11693	2.8
137.05949	3.0
137.09576	1.9
137.57787	1.5
141.06966	3.3
142.07782	2.4
143.08537	18.5
144.09344	2.2
145.06522	1.7
145.10110	21.8
147.08044	7.4
147.11707	7.3
149.06009	2.1
149.09578	6.2
149.13156	1.5
151.07564	1.8
153.05426	2.2
153.09097	9.5
155.06967	1.5
155.08539	7.2
156.09305	2.2
157.10132	7.5
159.08064	8.4
159.11664	10.9
161.09586	7.5
163.07527	2.8
163.11183	6.8
163.95125	1.7
165.06879	2.0
167.08615	1.6
169.10088	10.2
170.06970	1.5
170.62025	1.6
171.07967	3.1
171.11726	6.8
173.09615	7.4
175.07489	9.0
175.11218	3.3
177.09082	9.5
177.12688	1.7
181.10146	6.4
183.11568	3.4
185.09540	7.2
185.13222	5.5
187.07443	2.3
187.11145	9.7
189.09081	8.4
189.12738	2.2
191.10582	2.4
193.10129	2.5
195.11700	8.0
196.12399	1.6
197.09554	3.2
197.13280	2.3
199.11147	2.1
201.12758	6.5
205.12230	2.9
205.18733	1.6
211.11192	2.1
211.14737	2.4
213.09082	2.5
215.10667	7.2
219.11743	3.2
229.12216	2.8
231.10054	3.3
231.13725	3.5
233.11731	8.9
235.14752	2.8
237.02783	1.9
241.12135	2.1
251.12766	2.9
259.09552	7.3
275.18143	2.0
279.13779	1.5
286.82846	1.9
293.18936	3.6
303.17453	2.4
307.16830	3.4
307.20398	1.5
321.18506	18.0
324.08481	2.0
325.17722	2.5
339.19589	18.8
341.21268	2.1
343.18759	2.1
349.18005	10.5
357.20502	7.4
367.18973	36.4
385.20053	46.8
403.20834	13.9
421.21774	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	421.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	16.5
57.08688	1.7
67.05493	20.3
69.07049	13.8
73.70958	1.6
76.56424	2.3
79.05473	9.7
81.07039	33.4
83.08613	4.4
91.05473	12.7
93.07034	18.9
95.08583	49.6
97.10167	2.1
105.06996	23.7
107.08573	36.8
109.10133	31.7
111.09169	1.7
117.07023	3.9
119.08563	40.3
121.10143	22.8
123.11695	10.7
124.76941	1.8
125.09641	1.8
131.08522	13.8
133.10120	22.8
135.11699	13.8
142.07744	2.9
143.08534	10.3
145.10091	36.8
147.11668	21.2
149.13248	11.4
155.08565	7.8
156.09306	7.1
157.10114	25.9
159.11670	23.1
161.13223	10.7
163.14798	4.0
169.10066	26.3
169.11128	1.7
170.10834	3.8
171.11636	28.6
173.09592	4.2
173.13222	19.6
175.14865	6.8
177.50023	1.9
181.10091	9.9
182.10890	2.1
183.11632	28.5
185.13219	14.5
187.14818	8.2
189.16382	3.5
193.10190	2.2
194.10832	3.3
195.11664	15.3
196.12506	2.1
197.13167	16.1
199.14882	8.7
201.12532	1.7
201.16388	8.1
203.17926	2.1
207.11739	4.0
209.13261	21.4
210.13861	2.3
211.14812	10.3
213.16347	7.2
221.13272	8.0
223.14828	13.0
225.16403	10.1
227.17966	9.2
229.19550	7.9
234.14110	2.1
235.14792	4.3
236.15520	1.8
237.16428	13.4
239.17870	10.3
241.19437	4.3
243.21059	7.4
247.14767	3.1
249.16228	3.2
251.17909	19.4
253.19510	4.1
263.17932	2.4
265.19437	3.8
267.17352	2.0
279.21097	4.7
281.22348	2.3
285.18359	6.6
291.21265	3.0
305.22583	22.3
319.24152	8.2
333.21997	2.1
375.30389	100.0
385.29007	13.0
403.29880	44.3
421.30795	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	420.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15541	0.1
57.03423	2.1
71.01325	0.6
71.87705	0.1
73.02890	0.4
75.04456	0.9
79.05434	0.2
82.87387	0.1
85.02878	3.1
95.01301	2.7
95.04926	0.2
99.00790	0.3
101.54776	0.2
103.03906	0.2
105.03352	0.2
107.04929	100.0
113.02326	1.0
124.47106	0.1
131.03362	0.3
131.04970	0.2
141.01797	4.2
153.05440	2.6
158.60753	0.1
159.02971	0.2
163.03857	0.3
167.68085	0.2
174.28793	0.1
203.25003	0.2
209.08044	18.9
227.09073	9.1
367.10602	0.3
385.11206	1.1
420.23700	0.3
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
53.00291	0.8
57.03140	0.9
57.03428	28.2
57.46785	0.7
59.04987	6.0
59.94849	0.6
60.04508	1.5
66.20299	0.8
69.03415	88.5
71.01314	1.0
73.02892	1.2
75.04461	1.8
79.05479	1.6
81.03400	3.6
84.49021	0.8
85.02889	62.9
87.04449	51.1
91.05462	100.0
92.05789	0.8
92.08691	1.4
97.02870	67.8
99.04421	1.5
104.42771	0.8
105.06999	3.9
107.04935	6.2
109.02859	1.1
115.03908	54.0
117.05494	0.9
117.06946	0.8
127.03893	5.8
128.34016	0.8
129.06960	1.3
133.04945	47.3
133.06479	1.2
145.04907	6.4
145.06503	1.4
150.07584	5.4
161.04443	1.6
163.05994	1.1
205.08582	1.6
217.08601	0.9
223.09642	5.4
259.08087	3.8
277.08957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22336	0.4
52.67669	0.5
53.00301	0.9
53.03943	0.8
54.81647	0.5
55.01848	0.9
57.03429	34.8
59.04992	6.2
60.04509	2.8
61.02911	3.0
61.08398	0.5
66.37580	0.5
69.03416	100.0
70.06590	0.7
71.01330	0.7
71.04960	0.6
73.02911	6.3
75.04459	6.0
81.03410	3.5
81.07081	0.8
85.02891	72.1
87.04451	64.0
89.53588	0.5
91.03931	0.6
91.05473	0.8
97.02872	63.8
99.04443	2.9
101.02306	0.5
103.03902	1.0
105.03368	1.0
105.07011	1.2
109.02875	1.1
109.06522	5.9
115.03914	64.9
117.07057	0.5
119.08579	0.7
121.06481	2.1
123.04431	0.8
127.03918	6.7
131.08542	0.7
133.04942	58.2
137.05975	2.2
139.03883	0.7
145.04953	8.2
145.06470	2.1
147.08072	0.6
150.07611	8.2
151.07582	0.6
159.07991	0.8
163.05989	0.8
167.07030	0.6
169.04996	0.8
175.07460	1.1
177.05362	1.0
180.08720	0.9
181.08533	0.9
187.07590	0.9
217.08698	0.7
219.88573	0.5
223.05992	0.8
223.13370	0.7
241.07062	2.3
259.08078	3.0
277.09229	1.3
295.10165	1.2
329.21170	0.5
349.48709	0.6
386.65585	0.5
425.83167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.134
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.59546	0.2
53.03934	0.3
54.81565	0.2
55.01852	0.2
57.03431	3.2
61.02909	0.8
61.19849	0.2
61.30840	0.2
69.03414	2.4
73.02900	4.8
81.03382	0.4
85.02895	4.0
87.04475	0.4
92.08717	0.5
97.02881	2.3
98.97571	0.2
107.04917	0.4
109.02881	0.4
115.03929	0.4
121.06478	0.5
127.03895	100.0
133.04973	0.3
134.71346	0.2
158.99539	0.2
163.03812	0.3
181.61600	0.2
211.32057	0.2
271.77670	0.2
289.09167	3.0
321.11685	0.2
332.89117	0.2
363.12607	1.9
377.71497	0.2
402.39417	0.2
421.16718	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15087	0.6
55.01859	3.5
57.03433	1.1
61.02918	1.2
67.05449	0.8
69.03422	0.7
73.02896	0.9
78.92135	0.7
79.05459	1.4
83.01334	0.9
85.02868	3.5
91.05469	1.6
92.09019	1.4
95.01302	0.8
95.04932	4.1
97.02874	1.4
103.05431	4.5
105.07005	55.9
106.02840	0.7
107.04925	1.8
111.04403	0.9
115.05434	11.5
117.06989	4.3
118.04111	3.8
119.04952	0.7
123.04379	5.2
124.03905	1.4
127.03912	1.5
131.04883	3.8
131.08588	0.7
132.05684	1.1
133.06461	63.3
140.04655	1.4
143.04907	3.1
143.06038	3.0
145.06445	7.6
147.04358	1.4
147.08069	1.3
151.03842	1.3
155.07033	4.2
157.05026	0.9
157.06427	3.3
161.05940	100.0
167.06998	23.9
172.05200	1.1
173.05945	4.7
175.03908	3.9
175.06032	0.8
175.07503	1.7
179.07010	1.8
183.06561	1.4
184.05234	0.7
185.05872	1.4
187.07394	1.3
189.05553	1.0
190.06232	1.7
191.07007	1.7
192.07822	1.4
193.08560	43.6
200.04698	1.0
201.05437	3.4
203.07016	3.1
205.08536	8.3
207.06436	7.4
213.05444	0.9
213.85898	0.8
215.06966	0.9
217.04968	1.2
217.08485	1.2
219.06462	4.3
221.07991	1.4
223.09631	0.9
229.04808	3.7
230.05618	0.8
231.06578	4.2
233.04434	8.2
233.08044	5.1
235.05954	1.1
243.06642	0.8
245.08110	3.2
247.05991	1.6
249.07574	1.2
251.05383	0.9
251.09088	15.3
257.04315	0.9
259.05930	1.6
261.07526	10.7
263.08911	3.2
273.07700	0.8
275.09109	3.0
277.07095	1.6
279.08444	1.6
289.07068	5.5
293.10086	3.3
301.07217	1.0
303.08557	1.2
305.09909	1.0
307.08087	13.0
323.11093	1.3
325.09024	1.1
349.09274	0.9
367.10001	3.9
385.11160	21.0
419.15146	4.7
420.15399	6.1
441.16583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55973	0.8
63.15183	0.8
68.14444	1.0
71.31750	1.0
81.07037	1.6
83.08602	0.9
85.06530	1.4
91.05481	1.3
91.50610	0.8
91.51165	1.0
91.53178	0.9
92.09258	2.3
95.08572	1.1
105.07008	1.6
109.06511	1.5
119.08587	1.2
145.10049	1.3
232.37810	1.0
283.99390	1.0
366.56018	1.1
387.25739	1.4
419.31268	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	419.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26156	0.6
55.01855	0.8
56.14539	0.7
69.45560	0.6
73.36666	0.7
75.05632	0.7
83.24287	0.7
99.04440	5.0
100.28341	0.8
109.36758	0.8
111.04428	3.9
113.76811	1.0
125.05968	12.9
128.19051	1.0
141.05458	3.5
153.05444	100.0
194.05479	0.8
257.53275	0.8
419.35129	21.2
420.35446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.388
Annotation	Amphimic acid A
Peak:m/z	Relative Intensity
50.07428	3.7
55.05506	34.8
56.24303	4.1
57.07076	40.9
58.20000	4.4
67.05482	11.5
67.68161	4.3
69.07050	47.0
71.08622	17.2
78.07575	4.6
79.05481	8.3
81.07047	23.8
82.38826	4.3
83.08609	37.0
85.10128	5.0
91.05447	9.9
92.09034	7.2
93.07031	10.8
95.08591	23.3
97.10154	25.8
98.55649	5.4
107.08575	74.1
109.01226	5.3
109.10112	22.4
111.08051	47.2
111.11718	7.3
119.08554	8.8
121.10116	25.4
123.08033	38.8
123.11722	6.4
125.06004	6.4
125.09586	30.1
133.10115	12.4
135.08018	78.9
135.11731	10.7
137.09584	21.6
147.11659	5.5
149.09563	33.6
153.09096	100.0
163.14714	4.9
173.13292	5.4
187.14787	4.7
342.19397	5.0
350.70480	5.0
401.37744	51.4
419.38989	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53001	0.6
55.01858	3.2
57.03417	3.3
59.00143	0.6
60.04496	0.5
69.03064	0.8
69.03416	3.8
73.02896	1.5
76.63864	0.6
79.05466	2.6
79.22660	0.6
85.02881	5.5
85.26717	0.6
85.41517	0.8
86.09685	3.2
87.04446	1.3
90.05880	0.7
91.05478	5.1
92.09016	1.0
95.01303	9.2
95.04942	3.2
97.02858	2.7
99.04407	1.0
103.05455	1.1
105.07008	6.1
107.04957	8.5
109.53768	0.7
111.04425	1.2
113.02353	1.5
115.05437	5.2
117.07001	7.0
118.04153	1.3
119.04915	4.2
121.06551	0.6
123.04401	4.3
124.07568	3.4
126.05511	0.9
127.02528	0.7
127.03905	3.2
128.06197	1.0
129.06970	5.1
131.04910	5.4
133.06468	9.4
135.04405	1.5
137.02364	1.1
139.03873	3.2
141.07008	3.2
142.04144	1.1
143.04886	1.5
143.05994	1.0
144.05664	1.3
145.06462	9.1
146.03719	1.2
146.89993	0.7
147.04408	6.1
147.08014	1.1
155.04872	2.9
155.07027	1.1
156.05743	1.0
157.06476	15.6
159.04337	1.4
159.08049	2.9
160.05202	2.9
161.05957	13.8
163.03903	3.8
167.07028	15.1
169.06384	2.7
170.03668	1.2
171.04370	1.6
172.05209	5.5
173.05946	5.9
173.76074	0.7
175.03873	10.5
175.06117	0.9
175.07494	3.7
176.04640	0.8
177.05576	1.0
178.06416	0.7
181.04890	1.3
183.04370	1.5
184.05182	1.4
185.05959	12.2
186.02991	1.1
187.03900	5.6
187.07513	25.7
188.04666	1.5
189.05399	10.0
190.06230	5.2
191.06996	2.7
193.08624	3.8
197.05978	1.5
198.03139	4.9
199.03711	0.8
199.07642	0.8
200.04611	4.2
201.05371	6.1
203.06969	1.4
204.07880	3.1
205.05029	0.9
205.08586	4.8
206.05725	0.9
207.06512	13.1
213.05476	13.9
214.06187	0.8
215.07004	5.0
216.04146	15.9
217.04964	6.2
217.08630	3.5
218.05754	1.3
219.06505	6.2
221.08057	3.4
227.06985	1.2
228.04054	1.6
229.04955	4.5
230.05719	4.7
231.02859	18.9
231.06390	5.6
232.03577	6.1
233.08047	6.6
234.05202	1.2
242.05658	0.9
243.06491	3.2
244.03624	6.4
244.07242	1.1
245.08041	13.9
246.05199	1.1
247.05977	12.5
249.07549	9.8
257.08118	1.2
259.05969	100.0
260.06702	3.1
261.07550	8.5
265.10715	1.0
273.07401	0.8
275.09134	8.9
277.07037	17.6
289.07108	1.6
291.08557	1.1
293.10199	2.9
303.08725	0.8
305.10239	1.5
307.08221	2.4
323.11197	1.7
325.09109	8.8
349.09052	1.5
355.10129	1.3
367.10049	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	419.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02084	1.6
53.03925	3.6
55.01859	1.8
55.05494	8.6
57.03434	1.6
59.04978	3.9
67.05490	6.2
69.03403	8.8
69.07044	2.7
71.04980	3.1
78.04698	1.7
79.05473	19.1
81.03390	8.3
81.07031	7.3
83.04953	6.3
85.02881	10.6
91.05461	16.5
93.07000	3.6
95.04934	7.0
97.02879	15.8
98.03185	3.0
99.04462	1.7
100.86952	1.9
101.05949	1.9
103.05437	3.3
105.06976	8.1
105.82561	1.7
107.04943	33.7
107.08557	2.3
109.02888	2.5
111.08072	1.9
115.05408	15.7
116.06216	2.3
117.06989	20.3
119.08539	2.9
121.06420	2.2
121.10044	2.0
123.04398	7.1
124.05173	9.1
125.05941	1.8
127.03893	6.0
128.06210	3.6
129.06966	11.8
130.04152	1.7
131.04897	1.9
131.08528	15.7
133.06474	2.8
133.10089	2.8
139.08656	3.0
140.04791	1.7
141.06958	6.7
143.04872	2.5
144.05656	13.1
145.04930	2.6
145.05220	3.0
145.06470	50.1
146.26353	1.5
147.08008	2.7
148.05138	1.9
152.04739	5.7
153.72583	1.7
155.05968	8.0
155.29539	1.7
156.05670	21.1
157.06425	6.2
159.08014	22.4
160.05110	2.5
161.05937	6.5
167.06987	79.1
170.07166	1.6
173.05913	42.6
177.05446	2.5
179.06921	2.5
181.04817	4.0
181.06395	2.1
183.06496	3.2
184.05170	2.8
187.07487	15.2
189.05461	3.0
190.06224	27.5
190.07774	2.6
191.06969	3.4
193.08615	1.6
195.07988	1.9
196.05208	1.9
198.06879	1.9
198.12788	3.3
202.06190	9.9
203.06981	6.8
203.08612	2.2
204.07762	2.9
205.06583	3.5
205.08498	38.1
205.10301	2.7
206.07253	2.3
207.08121	2.2
208.05103	18.2
210.06752	2.1
211.07478	2.7
217.08556	53.3
218.07248	2.5
219.08054	11.2
219.10153	5.9
220.08914	2.4
221.05925	6.5
221.07895	2.1
229.08472	2.1
231.08018	7.2
231.10109	3.1
233.05888	2.2
233.09531	1.9
234.06532	2.3
235.07494	3.7
235.09677	6.7
236.04640	9.5
236.08148	2.4
237.09099	2.0
238.06081	2.7
239.07013	2.0
239.20049	2.0
241.08627	2.0
245.09921	2.1
247.07372	11.1
247.09653	11.0
248.08258	9.4
249.08904	2.7
249.11223	12.3
251.06877	2.4
254.05666	11.6
260.08246	2.3
261.09000	4.0
263.06842	3.8
263.10623	7.5
264.07709	7.4
265.08371	2.2
265.10822	2.3
266.05692	2.8
267.06421	3.9
269.08005	31.5
271.05804	1.8
271.09540	7.1
272.06720	2.4
275.06992	3.7
277.08408	3.9
279.06329	1.8
279.10056	7.0
282.05469	2.9
282.08786	10.3
286.08374	2.1
287.09103	6.3
290.08850	2.0
291.10107	6.4
292.07111	2.9
293.08005	8.5
295.09515	6.9
297.07437	2.1
299.05350	2.0
301.06909	6.8
305.07977	2.7
307.09695	6.8
308.10245	3.0
309.07462	2.5
309.11044	2.8
310.08176	3.2
315.08563	100.0
316.09464	2.4
323.12744	6.6
327.12265	2.7
330.10892	83.2
331.11737	3.1
337.10654	3.3
339.11984	2.9
343.11792	15.2
351.12106	12.0
353.10403	2.5
355.11880	2.1
368.12469	2.8
369.13321	7.9
383.14865	25.9
401.15872	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.2
57.07052	1.2
66.96598	1.0
67.05488	11.8
69.21471	1.0
79.05475	17.4
81.07037	29.9
83.08607	5.2
91.05452	12.9
93.07014	26.5
95.08579	19.3
97.10172	1.9
103.97985	1.4
105.07011	25.9
107.08572	24.9
109.06525	1.9
109.10136	12.5
111.04386	1.7
117.06976	7.2
119.04919	1.4
119.08567	13.1
121.06484	1.6
121.10092	18.0
123.08006	1.2
125.05952	2.2
129.06958	2.5
131.08531	23.0
133.06454	1.4
133.10123	17.0
135.11681	24.8
142.07750	1.6
143.08546	11.7
145.06432	1.2
145.10114	17.6
147.11711	12.9
149.05966	1.4
149.13243	5.9
153.05341	1.2
155.08549	5.0
157.10133	9.5
159.08031	2.2
159.11661	17.2
161.09624	1.8
161.13237	11.7
163.07475	2.3
169.10083	4.4
171.11632	6.8
173.09453	1.5
173.13214	8.1
175.14845	1.9
177.09106	8.1
181.10092	1.8
183.11647	6.0
185.13240	10.8
187.14795	10.0
189.09064	2.1
189.16486	1.5
195.11705	2.2
197.13292	8.6
199.14787	6.6
201.16336	5.3
203.10605	2.3
205.12221	2.9
209.13245	1.8
211.11156	1.8
211.14798	7.2
213.12640	2.4
213.16330	6.2
215.17885	5.2
217.12224	2.5
225.16322	2.4
225.96199	1.2
227.14282	1.4
227.17859	2.1
229.12186	2.0
229.15685	1.4
231.13792	7.7
237.16275	1.9
239.14346	2.0
243.13762	4.9
257.15247	4.2
277.19467	1.5
279.21042	6.6
283.16922	2.2
293.22556	14.3
311.23724	1.8
321.22006	13.8
337.21478	2.3
339.23120	100.0
340.23428	1.6
342.24225	1.9
355.22504	2.5
357.24200	25.0
375.25208	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.60666	1.1
55.85169	0.9
56.63582	0.8
65.03934	1.7
71.04974	1.2
78.04720	1.7
79.05466	13.7
81.03410	4.2
81.07034	2.3
91.05460	5.3
92.08620	2.5
95.04960	5.3
103.05458	2.7
103.54311	1.0
105.07023	4.9
107.04939	19.9
108.56174	0.9
109.02887	1.0
111.04453	1.3
115.05446	10.0
116.06249	2.3
117.06996	22.6
121.06498	2.1
122.03716	1.3
123.04419	7.5
124.05190	6.6
125.06004	1.4
128.06181	1.5
129.07013	6.4
131.04854	1.5
131.08537	6.6
132.05688	1.6
133.06473	2.5
134.03598	1.1
137.05934	1.4
141.06984	2.5
144.05688	6.6
145.06468	40.0
147.04408	4.7
152.04707	1.2
153.05446	1.6
155.06052	6.5
156.05693	21.6
157.06468	2.4
158.07198	1.5
159.08014	15.4
160.05118	1.3
161.05949	6.4
163.03799	1.3
167.07005	62.1
168.07341	2.0
169.07657	1.0
173.05954	34.7
175.07545	1.5
177.05267	1.3
181.04962	4.8
182.05312	2.0
184.05133	2.5
186.06706	1.2
187.07498	8.1
190.06187	23.0
190.07751	1.4
191.06866	2.6
193.08508	1.7
202.06221	6.8
202.07843	1.5
203.06946	3.9
205.08554	33.7
207.06430	2.5
208.05157	21.7
208.07062	1.8
210.06773	1.7
217.08580	40.7
218.07248	1.2
219.08020	5.8
219.10033	2.5
220.08832	1.6
221.05917	6.1
221.08060	4.2
222.08443	4.7
225.05482	1.6
226.06235	1.3
227.06999	2.3
230.07332	1.7
231.08052	4.7
232.08850	1.4
235.07501	1.7
235.09618	4.8
236.04689	10.8
238.06145	2.1
239.07066	1.9
240.04202	2.1
240.41322	1.2
246.06694	1.7
247.07736	8.2
247.09607	9.5
248.08275	4.6
249.08867	1.2
254.05690	11.7
255.06430	1.3
257.04419	2.1
259.07501	1.8
261.05579	1.4
263.10645	4.4
264.07809	1.9
265.08386	2.1
267.06427	5.9
268.03516	2.2
269.08078	30.8
271.06052	1.4
271.09644	5.2
272.06735	5.2
275.06882	4.3
276.07687	5.0
277.08594	2.5
279.10117	2.0
281.08600	1.1
282.05414	4.4
282.08841	11.8
284.06796	1.2
286.04755	1.4
286.08075	1.2
287.09192	3.6
290.09470	2.0
291.09976	2.4
292.07492	1.2
293.08014	5.5
295.09521	1.2
299.09024	1.7
300.06204	4.0
301.07007	1.9
305.08005	1.2
307.09659	5.3
308.10394	1.4
310.08328	4.7
311.12686	1.2
315.08566	100.0
316.09448	1.4
319.09518	5.0
321.07578	1.6
323.12683	5.5
328.09424	2.7
330.10919	81.9
331.11496	1.7
336.09732	1.7
337.10797	1.9
339.12018	1.6
343.11694	9.4
351.12173	10.1
352.13214	1.6
353.10010	1.9
368.12173	2.5
369.13293	6.3
383.14740	18.7
401.15762	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47476	0.7
53.03928	0.9
55.05499	4.3
55.72854	0.7
57.03426	1.3
57.30228	0.7
58.82603	0.8
59.04989	3.5
62.06081	1.5
63.33419	0.8
64.81950	0.8
67.05477	1.9
69.03412	5.0
71.04977	1.2
72.08166	1.1
78.04700	1.3
79.05472	11.1
81.03388	5.3
81.07037	4.0
83.04963	5.6
85.02888	5.1
85.06514	1.3
86.09695	1.1
91.05464	11.1
93.07019	11.1
94.07375	1.4
95.04972	7.9
97.02866	5.4
97.06540	1.7
101.05991	1.5
102.04652	0.8
103.05479	8.1
105.03387	1.0
105.07024	13.8
107.04940	17.9
107.08580	3.8
109.02863	2.3
109.06470	1.2
115.05450	8.7
116.06210	1.0
117.06997	13.5
119.08580	3.9
121.06482	100.0
122.06819	31.4
123.04414	6.1
124.05214	1.7
125.05957	3.9
127.03851	1.3
128.06189	1.8
129.06995	4.5
131.04890	1.2
131.08557	4.0
132.05717	1.6
133.06436	10.2
135.08022	1.4
137.05933	1.8
141.06989	2.2
143.08609	1.0
144.05696	4.7
145.05026	2.0
145.06468	31.1
147.08081	2.1
151.03940	1.2
153.05548	1.0
155.06026	4.6
156.05672	12.0
157.06479	2.2
159.08032	10.2
161.05963	12.2
163.03897	1.3
165.06844	1.2
167.07010	45.1
167.08389	2.3
173.05951	28.3
178.86725	0.9
179.06931	1.1
181.04961	14.8
181.06471	1.7
181.08670	1.1
184.05197	1.7
187.07495	5.1
190.06189	15.4
191.06984	2.3
193.08569	5.0
197.05975	1.0
202.06259	3.9
203.06973	5.1
204.07831	1.2
205.06689	1.5
205.08554	25.7
205.10294	1.8
207.06461	1.5
207.08212	1.5
208.05144	16.9
217.08553	28.1
218.07164	1.3
219.08081	4.0
219.10106	1.3
220.08820	1.4
221.05968	1.3
224.04790	0.9
226.06258	1.3
230.08905	1.1
232.08641	1.1
235.09607	4.3
236.04637	9.3
236.08380	1.1
239.06949	1.1
240.04048	1.5
241.08453	1.1
245.10002	4.0
247.07468	4.5
247.09676	7.5
248.08189	5.7
254.05649	8.9
260.08188	1.2
261.09003	1.7
262.06213	1.7
262.09818	1.4
263.10764	1.2
264.07797	1.3
265.08176	1.4
265.10666	1.9
266.05780	1.2
267.06430	1.9
268.03552	1.4
269.08032	24.1
271.06082	2.0
271.09586	5.1
272.06689	3.8
275.06924	1.6
276.07852	3.7
277.08517	1.5
279.09998	1.2
282.05603	2.3
282.08826	9.3
285.07483	2.2
287.09177	3.8
291.10208	5.9
293.08011	4.2
300.06262	1.5
301.07108	4.3
307.09537	1.5
310.08261	4.7
315.08582	74.2
319.09729	1.9
322.07837	1.2
323.12759	4.0
330.10910	66.4
331.11624	4.0
337.10660	4.9
339.12244	4.8
343.11679	5.9
351.12280	8.2
353.10074	2.1
368.12482	3.7
369.13297	4.2
383.14777	13.1
401.15833	7.8
419.18448	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1694
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
53.03941	2.2
55.01863	3.6
56.16794	2.0
57.23273	2.0
61.78371	1.9
67.05521	2.3
79.05470	14.9
79.20863	2.0
81.03391	4.7
81.07005	3.4
85.02907	3.2
91.05454	4.4
95.04941	10.2
95.08568	3.4
103.05450	4.7
105.07019	11.8
107.04939	25.1
115.05424	15.1
117.06998	29.5
119.08507	3.4
123.04389	9.0
125.05968	2.5
128.06192	2.6
131.04869	3.1
131.08565	3.5
132.05692	3.1
133.06480	16.3
136.07770	2.3
137.05948	2.9
141.06923	2.5
144.05684	4.4
145.06459	48.6
149.05910	2.5
153.05423	3.2
155.06047	10.8
156.05684	15.7
157.06529	3.6
159.08055	12.6
160.05135	3.6
161.05983	23.0
162.06270	8.8
167.07005	100.0
167.08401	4.0
168.07362	11.7
173.05956	58.5
180.07736	3.7
181.04919	19.4
181.08409	2.4
182.05328	3.4
184.05118	9.7
187.07631	4.2
190.06194	28.3
191.07050	3.4
191.38541	2.3
193.08571	3.0
202.06268	10.8
203.06995	3.9
205.08586	47.5
208.05135	20.8
217.08542	50.3
219.08051	3.2
231.08066	4.2
233.09785	3.5
235.07483	2.7
235.09671	4.6
236.04546	8.1
247.07387	4.0
247.09665	5.7
248.08365	4.9
254.05736	10.0
264.08035	2.9
269.08041	33.9
271.09592	3.7
275.06873	3.5
276.07837	3.1
277.08350	2.7
282.08743	13.0
290.08960	3.1
291.09979	2.8
307.09512	3.8
315.08542	85.2
330.10922	81.7
337.10666	4.2
339.12082	3.2
343.11652	10.7
347.33084	2.6
351.12244	11.9
383.14905	15.9
401.15933	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	419.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.78886	0.3
54.81776	0.3
55.01860	0.4
57.03425	0.6
65.03931	2.0
69.03408	2.9
70.06574	2.6
71.04980	0.6
72.08141	0.7
73.02900	0.3
81.03397	5.8
83.04958	0.6
85.02882	5.6
86.09694	0.7
95.04953	8.6
97.02863	3.8
97.19940	0.3
98.97570	0.4
99.04432	0.6
101.05998	0.5
109.02879	2.2
109.06527	0.4
111.04427	1.5
120.08066	1.7
121.02849	100.0
124.56037	0.3
127.03899	1.4
137.05994	0.4
139.03882	14.3
139.04910	0.6
141.05302	0.4
147.04428	0.5
173.09200	1.4
204.37259	0.3
239.07491	0.4
257.09222	1.4
258.08249	0.4
265.07065	3.4
283.08072	8.3
319.09015	0.4
335.13766	0.4
364.70447	0.4
419.14429	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	419.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10514	0.8
52.78447	1.0
53.03926	2.7
55.45965	1.0
56.96531	1.4
57.03423	4.8
58.58595	0.8
69.03409	10.7
71.04961	5.2
71.31192	0.9
72.08125	6.5
72.08514	1.0
73.02882	4.5
75.10017	0.9
77.41514	0.9
78.04654	1.1
79.05482	8.6
81.03387	4.8
81.07002	1.6
83.04929	1.4
85.02887	16.9
86.09711	1.4
87.04435	1.6
91.05461	12.0
93.07005	1.3
95.04933	5.6
97.02869	9.6
105.03371	44.3
107.04961	8.1
109.02858	2.0
117.06966	1.8
123.04424	9.5
127.03912	2.4
129.07005	1.4
131.08525	1.8
133.06491	1.2
137.05917	1.9
141.06970	1.9
144.05692	1.3
145.06514	2.3
151.03827	1.3
156.05696	1.8
159.08078	4.4
161.01320	1.4
167.07002	21.1
187.07414	2.2
190.06158	1.4
205.08551	2.1
208.05180	12.5
217.08585	5.1
219.08026	1.7
227.07100	1.1
231.08093	1.6
236.04669	6.9
247.07344	2.7
247.09615	1.9
248.08321	2.2
254.05592	8.6
263.06995	1.4
267.08643	5.6
268.03320	1.1
269.08014	16.9
282.05252	1.5
282.08832	4.4
287.05524	7.5
293.08203	2.2
297.07596	1.4
301.06915	1.4
310.08377	2.4
315.08563	55.7
317.08377	34.7
318.08682	1.4
323.12747	1.7
326.06461	2.1
330.10919	47.3
331.11661	1.3
337.10648	1.6
339.11795	1.3
339.93512	1.3
343.01294	1.4
343.11624	4.6
351.12231	2.2
361.02283	11.5
362.02698	2.3
368.12494	1.5
369.13452	2.0
379.03192	4.9
383.14813	6.6
401.15802	1.8
419.15109	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	419.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10514	0.8
52.78447	1.0
53.03926	2.7
55.45965	1.0
56.96531	1.4
57.03423	4.8
58.58595	0.8
69.03409	10.7
71.04961	5.2
71.31192	0.9
72.08125	6.5
72.08514	1.0
73.02882	4.5
75.10017	0.9
77.41514	0.9
78.04654	1.1
79.05482	8.6
81.03387	4.8
81.07002	1.6
83.04929	1.4
85.02887	16.9
86.09711	1.4
87.04435	1.6
91.05461	12.0
93.07005	1.3
95.04933	5.6
97.02869	9.6
105.03371	44.3
107.04961	8.1
109.02858	2.0
117.06966	1.8
123.04424	9.5
127.03912	2.4
129.07005	1.4
131.08525	1.8
133.06491	1.2
137.05917	1.9
141.06970	1.9
144.05692	1.3
145.06514	2.3
151.03827	1.3
156.05696	1.8
159.08078	4.4
161.01320	1.4
167.07002	21.1
187.07414	2.2
190.06158	1.4
205.08551	2.1
208.05180	12.5
217.08585	5.1
219.08026	1.7
227.07100	1.1
231.08093	1.6
236.04669	6.9
247.07344	2.7
247.09615	1.9
248.08321	2.2
254.05592	8.6
263.06995	1.4
267.08643	5.6
268.03320	1.1
269.08014	16.9
282.05252	1.5
282.08832	4.4
287.05524	7.5
293.08203	2.2
297.07596	1.4
301.06915	1.4
310.08377	2.4
315.08563	55.7
317.08377	34.7
318.08682	1.4
323.12747	1.7
326.06461	2.1
330.10919	47.3
331.11661	1.3
337.10648	1.6
339.11795	1.3
339.93512	1.3
343.01294	1.4
343.11624	4.6
351.12231	2.2
361.02283	11.5
362.02698	2.3
368.12494	1.5
369.13452	2.0
379.03192	4.9
383.14813	6.6
401.15802	1.8
419.15109	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	418.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.8
57.03427	3.3
59.04985	18.9
60.32946	1.6
65.03902	1.9
67.05459	2.8
69.03416	18.3
69.07046	2.9
70.03751	1.6
73.02878	1.5
75.68132	1.3
76.34930	1.5
79.05473	3.7
81.03397	8.0
81.07030	3.2
85.02892	25.0
86.03203	2.4
86.09695	2.4
87.03300	1.8
87.04464	8.8
92.04987	3.7
95.04959	2.4
95.08633	2.2
96.08102	7.2
97.02872	14.1
99.08079	3.8
106.06539	66.4
108.08107	79.9
109.02834	2.6
109.05238	1.6
115.03912	3.0
117.09169	2.1
123.06783	8.3
124.07574	39.0
127.03912	13.8
134.06003	33.9
135.04422	2.1
136.07556	20.0
141.09088	6.4
145.04968	3.5
150.99211	1.6
152.07047	100.0
159.10191	6.7
163.03876	7.6
164.07106	2.2
170.08084	27.0
221.08386	2.4
400.16101	15.5
418.17062	77.8
419.15109	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	418.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14312	0.6
54.39045	0.8
55.05503	1.1
57.07066	11.4
58.06580	1.3
63.02605	0.7
70.06575	31.6
71.05624	0.7
71.08599	3.1
72.08125	1.9
84.08128	1.9
86.09684	5.3
88.07614	7.8
92.08702	1.8
95.02478	0.8
98.98496	0.7
102.09167	1.8
116.14838	0.8
132.10170	11.0
146.11728	12.6
158.58789	1.1
199.90344	1.0
260.39328	0.9
268.30090	3.9
294.31439	1.5
296.16864	1.0
312.32587	11.9
324.66055	0.8
325.29367	0.8
356.35162	65.7
418.38815	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	419.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84835	0.4
69.03398	2.2
85.02905	1.1
87.04427	0.7
92.08980	2.8
97.02840	2.1
103.28000	0.4
105.07015	0.6
110.52560	0.5
115.03886	0.8
126.42713	0.5
133.04919	0.6
133.06438	0.5
161.05959	0.7
170.67502	0.5
287.10962	1.8
333.07849	2.1
419.15131	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	417.3359
Annotation	3beta,5beta-Ketodiol
Peak:m/z	Relative Intensity
55.05506	22.0
57.07057	5.5
57.16394	2.3
67.05484	18.8
69.07052	23.7
71.08634	2.5
79.05460	16.4
81.07040	50.8
83.04949	4.1
83.08604	12.3
84.25027	2.9
85.06551	2.9
91.05466	5.4
92.08702	6.0
93.06483	3.2
93.07023	45.4
95.08000	5.2
95.08582	100.0
97.06503	3.9
101.06000	2.9
104.96476	3.1
105.07019	26.4
107.08571	83.9
109.10146	47.6
109.68011	2.8
111.08099	3.0
119.08565	43.8
121.06499	3.3
121.10119	67.2
122.89017	2.5
123.11668	17.6
128.13754	2.9
133.10115	41.4
135.08057	5.1
135.11681	88.1
137.13197	4.3
142.43748	2.7
143.08493	4.7
145.10085	16.6
147.11656	34.3
149.13217	25.3
157.10106	4.1
159.11639	20.3
161.13229	17.1
163.11163	4.1
163.14772	16.5
173.13205	5.6
175.14803	4.5
177.12698	21.0
178.45483	2.6
181.12212	3.8
183.27846	2.9
187.14775	3.6
189.16315	3.5
191.14226	4.7
191.17903	46.0
195.13814	20.0
201.16299	3.3
203.17990	20.0
205.19415	3.1
207.13693	3.5
207.31020	2.8
209.15332	13.0
217.19464	13.4
235.16867	4.3
271.15637	3.2
361.48700	2.7
381.31418	18.2
399.32443	49.1
417.33530	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	417.336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67126	0.8
53.97465	0.8
55.01868	15.3
55.05496	8.3
57.03423	2.2
57.07069	2.5
58.07383	0.8
64.93203	0.8
67.05489	12.9
69.03417	6.3
69.07046	15.8
72.77847	0.9
79.05469	11.7
81.07033	18.4
83.04968	4.6
83.08623	2.2
91.05444	7.5
93.07031	14.1
95.08583	23.9
96.08864	1.0
97.06509	5.6
97.10145	4.3
98.98434	10.5
105.07002	11.1
107.08582	36.0
109.06532	1.1
109.10125	13.6
111.08045	2.1
113.09615	12.4
119.04914	2.2
119.08540	12.9
121.06494	1.0
121.10133	14.9
123.11701	4.3
125.09605	100.0
131.08560	1.7
133.10104	10.7
135.11647	12.4
139.11127	1.3
145.10130	7.4
147.04396	9.0
147.11641	7.4
149.13239	1.8
153.12711	1.9
155.01007	8.6
157.10147	1.3
159.11702	5.7
161.13251	5.4
163.14812	1.8
165.05383	1.2
171.11658	4.2
173.13225	4.6
175.14743	2.4
185.13226	1.5
187.14743	3.9
191.18028	1.5
199.14868	1.7
201.16316	10.1
203.17921	9.9
209.15385	1.9
213.16403	4.2
225.16283	1.2
227.17896	2.1
253.19328	1.3
263.23779	1.5
269.22552	24.7
287.23621	7.7
305.24704	12.3
381.31488	11.6
399.32523	2.4
417.25830	1.3
417.27515	1.2
417.33594	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	417.3358
Annotation	Homaxisterol D1
Peak:m/z	Relative Intensity
55.05493	2.7
57.07054	2.8
57.26934	0.6
57.27756	0.5
58.27870	0.5
67.05494	9.7
69.07056	7.7
71.04971	1.3
79.05465	4.8
81.07037	13.6
83.08588	3.5
85.06529	7.4
88.20743	0.6
91.05453	4.6
93.06474	0.9
93.07021	13.6
95.04944	8.1
95.08005	1.2
95.08579	23.6
96.19583	0.7
97.06492	0.8
97.10124	1.2
99.08023	0.9
105.07006	21.4
107.08575	24.3
109.06493	17.8
109.10148	14.3
111.08067	0.8
113.05984	43.4
117.07002	0.7
119.08557	13.6
121.10117	18.4
123.08054	7.5
123.11665	7.3
127.11120	0.6
129.07002	0.7
131.08530	3.6
133.10112	9.9
135.11667	20.7
137.09612	1.1
137.13237	2.5
141.09096	7.1
145.10101	4.0
147.03163	0.6
147.04390	0.8
147.11684	8.7
149.09595	0.9
149.13248	7.4
151.11122	1.3
153.12776	0.9
157.10139	0.9
159.11658	8.4
161.13216	6.7
163.14795	4.3
169.10017	0.7
169.12204	12.5
171.11642	3.2
173.13214	6.8
175.14799	3.9
177.12695	1.2
177.16438	1.0
185.13168	1.2
187.14789	4.3
189.16350	5.8
191.14247	2.4
191.17938	12.9
197.13216	0.9
199.14737	1.0
201.16383	3.0
203.17889	2.7
207.17249	0.9
213.16461	0.7
215.17958	0.8
217.19539	2.9
231.21269	0.7
239.17908	0.7
271.24164	2.4
309.25714	3.1
381.31473	3.5
399.32388	5.4
417.33542	100.0
418.33929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3361
Annotation	3beta,5beta-Ketodiol
Peak:m/z	Relative Intensity
53.03910	1.7
53.75466	1.2
55.01866	2.6
55.05503	24.6
55.67049	1.2
57.07058	7.8
59.04961	1.9
66.57684	1.3
67.05485	24.9
69.07054	24.2
71.08585	1.5
79.05472	18.0
81.06595	2.6
81.07037	50.6
83.04964	2.4
83.08601	10.5
85.06537	2.5
91.05457	16.9
93.07020	64.7
95.04959	1.9
95.08581	100.0
95.09197	3.4
97.06495	2.9
97.10120	6.1
98.98367	1.6
99.04436	2.5
101.05987	7.1
105.07026	30.6
107.08575	92.5
109.06507	2.9
109.10139	42.0
111.08054	2.5
117.06974	2.2
119.08560	47.9
121.06491	2.3
121.10121	72.8
123.08090	3.0
123.11668	15.9
131.08536	7.1
133.10095	38.6
135.08006	6.6
135.11667	92.9
137.13205	3.2
143.08488	2.0
145.10089	12.1
147.04407	6.9
147.11673	37.6
149.09666	1.7
149.13248	29.8
153.09146	2.0
155.00974	1.7
157.10007	2.0
159.11700	23.4
161.13222	20.9
163.11119	3.7
163.14746	18.6
165.05446	2.1
165.12733	5.4
167.10687	1.9
171.11684	2.8
173.13229	3.5
175.14803	13.9
177.12712	20.3
177.16313	2.6
181.12221	3.1
183.11713	1.8
187.14798	3.1
189.16364	8.9
191.14238	6.9
191.17911	51.3
193.12141	1.6
195.13768	18.1
201.16325	3.1
203.17938	20.2
207.13745	3.7
209.15363	12.5
216.37477	1.7
217.19478	11.0
219.17419	3.3
220.17831	2.1
235.16879	2.2
381.31461	21.4
399.32401	45.7
416.36472	1.8
417.33496	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	417.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.5
55.01860	0.6
55.05504	6.4
57.03416	2.7
59.04981	2.6
61.02913	6.0
69.03416	4.7
69.91209	0.4
71.04975	19.7
73.02908	0.8
75.04462	3.4
80.32006	0.5
81.03399	100.0
83.04957	0.5
85.02889	5.6
85.06525	21.7
87.04455	2.7
95.04947	14.0
97.02857	2.2
97.06474	0.7
98.03666	8.1
99.04429	9.4
100.05270	0.5
109.02863	30.9
109.03606	1.1
109.85870	0.5
111.04399	0.6
113.05986	71.5
114.06765	2.1
115.03915	0.9
123.04610	0.6
127.03918	2.8
127.07504	0.7
141.05444	51.3
155.07039	2.5
166.05009	1.8
173.08102	2.9
177.06137	0.4
177.07599	1.9
191.09084	1.9
209.10173	22.2
239.65939	0.5
259.34012	0.5
396.99200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39608	1.8
54.81966	1.8
55.05499	4.1
64.71714	1.8
67.05495	14.4
69.07071	2.0
69.73771	1.7
79.05465	17.5
81.07045	24.4
81.92596	1.8
83.08610	3.7
91.05453	16.7
93.07033	29.4
94.07341	3.0
95.04964	2.9
95.08586	21.2
97.06533	2.7
105.07024	32.0
106.07327	3.0
107.08579	28.4
109.06481	8.7
109.10148	8.0
111.04423	3.3
117.07001	4.2
119.08590	20.2
121.10158	18.6
122.10529	2.6
125.05960	42.3
129.06987	4.1
131.08565	14.9
132.08907	2.6
133.10085	16.8
135.10741	2.5
135.11684	8.8
143.08527	14.8
145.10126	25.9
146.10463	3.5
147.11694	17.3
153.05447	29.1
155.07040	8.7
155.08449	4.7
157.10127	8.2
159.08012	3.3
159.11671	26.5
161.13229	7.9
169.10120	7.7
171.11726	9.7
171.56227	2.1
173.13225	9.5
175.14784	17.3
181.10080	2.8
183.11647	8.1
185.13182	7.7
187.14748	3.3
189.16405	4.5
195.11746	7.6
197.13310	3.4
199.14804	5.0
201.16402	13.4
202.16826	2.0
209.13239	4.4
211.14763	4.1
215.17859	4.5
217.12206	3.1
221.13184	2.1
229.12163	3.0
235.14839	4.1
255.13654	4.2
277.19467	4.2
291.21057	11.8
308.65610	2.0
309.22018	4.3
319.20465	7.7
337.21527	27.4
339.22131	4.1
340.22516	2.5
340.46948	2.7
344.28040	2.1
355.22638	51.1
356.22504	2.3
357.23267	3.6
358.23459	3.5
373.23633	100.0
375.24384	11.5
376.24506	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14381	4.1
55.05513	6.7
55.44879	4.5
67.05488	19.0
79.05483	30.4
81.07015	34.8
91.05470	47.6
92.09299	5.2
93.07023	49.4
95.08592	40.9
99.32040	4.8
101.78214	5.3
105.07014	67.3
107.08569	38.7
109.10145	20.7
117.07006	35.4
119.08546	47.5
121.06483	7.0
121.10150	31.9
127.03928	5.7
128.06206	5.2
129.06979	8.1
131.08566	37.5
133.10104	41.9
135.11703	10.1
143.08551	29.9
145.10104	80.4
147.11638	11.2
151.11142	7.8
155.08488	16.9
157.10126	25.9
159.11646	49.4
161.13280	18.8
163.11179	38.2
167.07045	8.7
169.10120	17.7
171.11638	9.6
181.10080	7.9
183.11639	22.8
185.13176	10.8
187.14819	5.0
195.11621	10.7
197.13286	22.5
211.14880	5.7
215.17973	5.9
229.12299	4.8
235.14801	6.8
251.18071	5.8
255.13838	8.5
291.21027	6.3
309.21945	6.9
319.20526	8.9
337.21457	43.3
355.22598	51.6
364.30804	5.4
373.23611	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	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.89157	0.2
53.03956	0.6
53.73447	0.2
54.47012	0.3
55.01869	0.4
57.03430	3.1
57.82673	0.3
58.81839	0.3
61.02929	0.5
65.03940	1.3
67.05482	0.5
69.03414	9.5
73.02878	0.3
74.06086	0.4
75.04475	0.3
78.04702	2.8
79.05482	1.7
81.07051	1.3
83.04967	0.6
85.02885	8.3
86.09699	3.9
87.04451	5.6
91.05463	2.1
93.03400	0.4
93.07050	0.6
95.04962	1.6
96.05723	0.5
97.02866	5.5
97.06487	0.3
103.05436	0.5
105.07024	2.3
106.04175	1.8
107.04930	2.0
109.02907	0.5
110.03636	0.6
115.03898	4.1
115.05438	3.4
117.06988	6.3
119.08586	0.5
119.94790	0.3
123.04401	8.3
123.08131	0.3
124.05208	3.9
125.05967	0.5
125.09700	0.4
127.03907	0.5
127.05433	0.3
133.04938	4.8
133.10158	1.1
134.03596	0.3
137.05965	0.5
143.04915	0.3
145.05244	0.6
145.06461	10.6
147.07977	0.5
149.02304	0.4
151.03870	1.4
152.04666	2.3
155.06029	3.6
165.05606	0.4
167.07002	100.0
171.06526	0.6
173.05934	14.0
181.03316	0.6
181.04915	19.1
201.05452	0.6
205.08557	2.0
214.11729	0.3
228.74922	0.4
233.08022	3.6
235.09547	1.4
325.10400	0.5
326.04422	0.3
361.98666	0.4
381.25058	0.3
387.14264	8.3
417.15372	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	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.35321	0.1
51.15091	0.1
53.03913	0.2
54.81597	0.1
55.01854	0.3
55.05492	0.1
56.51463	0.2
64.33232	0.1
65.03920	1.7
65.71314	0.1
67.05480	0.8
68.99744	0.2
69.03411	0.3
72.08102	0.1
73.91485	0.1
78.04681	2.7
79.05462	1.5
81.03400	0.2
81.07021	0.6
82.04167	0.5
85.02895	1.0
91.05441	1.3
93.03352	0.7
93.07011	0.2
95.04936	1.4
95.08601	0.2
96.05711	0.2
97.06487	0.2
103.05437	1.1
105.03366	0.2
105.07004	0.2
106.04162	1.9
107.04929	1.5
107.08562	0.2
109.02859	0.1
109.10132	0.1
110.03638	0.7
111.04416	0.3
114.37281	0.1
115.05424	4.1
115.06231	0.2
117.06992	6.7
119.04887	0.2
119.08512	0.3
121.10131	0.2
122.03579	0.2
123.04398	7.7
124.05176	3.2
125.05975	0.6
127.05420	0.7
131.04872	0.7
132.05652	0.1
134.03581	0.8
134.35156	0.1
135.04401	0.5
137.05936	0.8
138.03082	0.6
140.04706	0.1
142.02591	0.7
143.04901	0.3
144.05684	0.3
145.06462	11.3
145.10075	0.2
147.08003	0.3
148.05138	0.2
150.01288	0.1
151.03842	1.3
152.04651	2.5
153.05421	0.8
155.04877	0.3
155.06013	3.3
159.04446	0.2
161.05931	0.2
162.08128	0.2
163.07481	0.5
167.06995	100.0
168.07344	0.2
171.06477	1.6
173.05940	15.3
175.07455	0.2
181.04915	18.8
184.12825	0.2
189.05521	0.2
191.06978	1.1
196.08176	0.2
201.05453	0.8
205.08528	2.7
233.08015	2.8
235.09598	1.5
237.18492	0.2
387.14301	6.9
417.15320	21.7
418.15640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.6
53.31229	0.6
54.81850	0.6
57.03434	5.9
57.07051	0.8
57.07344	0.6
59.04980	2.6
61.02908	0.8
62.52865	0.6
63.04459	3.1
69.03074	0.9
69.03416	18.5
69.07037	0.6
70.03738	1.2
70.06562	1.5
71.04961	0.6
72.07843	0.5
72.08135	8.7
75.04449	1.2
81.03403	1.2
83.04975	0.8
85.02882	15.7
86.03181	2.7
86.09687	8.2
87.04450	10.2
88.04769	1.0
91.05439	0.6
93.24563	0.6
97.02869	12.8
98.03160	1.1
98.97527	0.8
105.09128	8.9
113.78717	0.7
115.03900	10.5
116.04260	1.4
120.08060	1.0
123.04227	1.4
129.10225	1.3
133.04950	8.2
136.07603	0.7
138.40785	0.6
142.79008	0.6
145.04906	0.9
148.05943	0.7
163.03845	0.9
167.06949	1.2
226.57927	0.7
229.06860	1.4
229.15482	0.8
260.15921	1.0
317.08380	35.9
335.09628	0.7
417.13547	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	416.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40113	0.7
53.00300	1.3
53.03936	4.1
55.01867	1.1
55.05496	0.8
56.96552	0.8
57.03199	0.9
57.03433	11.1
57.07068	100.0
59.04993	1.1
61.02915	3.5
65.03928	0.7
69.03414	51.7
70.06564	1.3
71.04972	5.3
72.08152	1.0
73.02878	1.3
81.03404	27.8
83.04970	1.0
85.02891	52.4
85.06527	61.0
86.09684	5.9
87.04467	4.8
91.05455	3.5
95.04942	1.0
97.02875	19.3
99.04444	13.2
103.07568	16.9
105.03347	1.1
109.02860	18.6
111.04433	1.0
117.05474	11.9
119.04914	8.1
127.03886	30.6
130.09563	1.0
132.02185	0.9
132.32600	0.8
135.06493	4.9
145.04982	6.9
147.04419	6.2
153.07585	10.9
175.03885	8.2
179.03465	1.0
189.59492	0.8
207.06470	10.9
211.09641	1.5
219.10185	1.3
229.10638	15.2
247.11703	64.8
304.05243	0.9
333.79868	1.2
363.16440	3.7
377.01682	1.6
395.02679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.7
54.77864	0.6
55.01852	1.0
55.44521	0.5
57.03176	0.7
57.03428	17.9
59.04975	3.5
61.02907	5.3
62.17207	0.5
65.54102	0.7
69.03415	56.2
69.06697	1.1
69.07047	13.3
71.04968	1.0
73.02887	2.8
73.03930	0.6
73.06514	1.1
75.04445	2.9
81.03400	4.5
83.04949	0.9
85.02888	100.0
87.04450	40.7
87.08089	68.2
91.03937	3.4
97.02868	52.7
99.04471	4.5
103.03893	1.2
109.02888	5.7
109.58041	0.7
111.04465	0.8
115.03906	41.6
115.07531	1.4
127.03885	10.9
129.09088	0.9
133.04945	34.1
135.04411	0.7
145.04942	14.1
150.05457	3.2
163.03871	1.1
163.05998	5.8
215.49797	0.6
237.13278	3.0
239.84354	0.7
259.07928	2.5
267.14285	13.9
294.85873	0.6
295.10138	1.2
433.78577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.8
53.03920	2.0
54.81461	0.8
55.01848	0.7
57.03425	9.8
57.07063	100.0
59.04982	1.1
61.02912	3.3
69.03412	50.6
69.07052	1.3
69.64215	0.7
70.06575	2.0
71.01352	0.9
71.04979	5.6
71.08614	1.1
72.08147	0.8
73.02911	1.4
81.03395	29.4
83.04977	1.1
84.04453	0.9
85.02882	50.4
85.06523	59.6
86.09698	1.5
87.04441	5.8
97.02859	21.4
99.04416	14.7
103.07556	15.6
105.03374	0.8
109.02853	19.2
111.04368	1.5
116.98571	0.9
117.05468	11.9
119.04916	1.0
119.07214	0.7
123.04399	1.2
127.03892	28.2
129.06993	1.1
131.02957	1.0
135.06497	3.2
145.04936	5.3
147.04362	1.1
153.07558	10.5
163.03888	1.1
175.03856	1.5
177.05464	0.9
179.03389	3.8
189.09090	1.2
211.09621	3.5
219.10129	1.8
229.10690	17.3
237.18517	1.0
247.11703	68.2
290.85190	1.0
303.05276	1.2
304.05264	0.9
363.16437	5.4
381.17426	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05509	0.7
57.03427	11.6
57.07062	1.1
59.04985	8.5
61.02922	3.8
62.08883	0.5
64.33634	0.5
67.05482	2.6
67.05802	0.5
67.46192	0.5
68.05828	0.8
69.03410	29.7
70.03757	0.8
70.06558	0.8
71.04978	4.6
73.02897	2.5
75.04491	0.8
81.03396	18.0
83.04939	0.6
84.08122	0.8
85.02886	24.8
85.06529	10.7
86.06849	2.2
87.04446	100.0
89.05978	1.0
92.08680	0.6
95.04900	0.6
97.02865	33.9
97.06487	0.6
98.03219	1.0
99.04427	2.7
101.05998	0.6
103.03922	0.7
103.07565	2.7
105.05482	34.1
109.02858	12.8
113.05988	2.2
114.64361	0.6
115.03904	17.0
117.38551	0.5
121.08604	3.2
127.03899	6.6
133.04929	12.2
135.03076	0.6
136.06163	0.8
141.05486	0.9
143.08514	0.6
145.04959	6.0
149.04654	0.5
152.05644	23.5
153.04012	1.3
157.02238	0.6
166.04886	0.6
177.07581	0.9
219.08481	4.6
219.12166	0.9
220.34232	0.6
237.09618	5.1
249.09669	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	416.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05509	0.7
57.03427	11.6
57.07062	1.1
59.04985	8.5
61.02922	3.8
62.08883	0.5
64.33634	0.5
67.05482	2.6
67.05802	0.5
67.46192	0.5
68.05828	0.8
69.03410	29.7
70.03757	0.8
70.06558	0.8
71.04978	4.6
73.02897	2.5
75.04491	0.8
81.03396	18.0
83.04939	0.6
84.08122	0.8
85.02886	24.8
85.06529	10.7
86.06849	2.2
87.04446	100.0
89.05978	1.0
92.08680	0.6
95.04900	0.6
97.02865	33.9
97.06487	0.6
98.03219	1.0
99.04427	2.7
101.05998	0.6
103.03922	0.7
103.07565	2.7
105.05482	34.1
109.02858	12.8
113.05988	2.2
114.64361	0.6
115.03904	17.0
117.38551	0.5
121.08604	3.2
127.03899	6.6
133.04929	12.2
135.03076	0.6
136.06163	0.8
141.05486	0.9
143.08514	0.6
145.04959	6.0
149.04654	0.5
152.05644	23.5
153.04012	1.3
157.02238	0.6
166.04886	0.6
177.07581	0.9
219.08481	4.6
219.12166	0.9
220.34232	0.6
237.09618	5.1
249.09669	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	415.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63513	4.4
55.05508	46.6
62.50845	5.4
67.05478	78.2
69.07045	31.8
69.09165	4.7
71.04984	6.4
74.30367	5.2
76.49763	5.3
79.05463	38.6
81.07036	100.0
82.76087	5.5
83.08598	26.7
85.06525	7.1
87.33649	5.3
91.05448	22.4
92.08999	13.1
93.07042	41.9
94.79333	6.2
95.08587	99.0
97.06499	7.2
105.06998	11.5
107.08560	30.4
109.10138	36.8
111.08078	6.8
119.08562	26.7
121.10098	26.9
123.11696	24.1
133.10126	8.9
135.11696	9.8
145.10135	10.7
147.11607	11.0
149.13309	5.4
161.13171	7.7
205.57175	5.7
210.00276	5.9
243.20967	6.9
261.22073	22.6
279.23056	63.9
279.56979	6.5
289.87711	5.5
300.32120	6.8
415.20822	10.0
425.89874	5.9
431.87341	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	415.3204
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
55.05508	18.5
57.07044	3.1
67.05495	24.2
69.07046	18.2
79.05472	20.5
81.07037	60.2
83.08611	10.7
85.06544	2.5
91.05457	17.4
93.07020	63.1
95.04959	2.6
95.08588	100.0
97.10140	3.2
99.04421	3.2
105.07005	51.1
107.08578	80.3
109.06499	5.1
109.10152	71.2
117.06982	3.0
119.08557	80.0
121.06506	4.2
121.10120	67.7
123.11683	20.7
131.08537	10.5
133.10114	42.5
135.11668	35.4
137.13208	9.9
145.10104	33.4
147.08041	5.0
147.11649	52.8
149.13243	17.5
157.10117	4.6
159.11688	18.9
161.09567	13.3
161.13239	38.8
163.11087	2.5
163.14796	15.9
171.11580	2.5
173.13240	9.5
175.11179	12.8
175.14825	9.6
177.16231	2.8
179.10690	2.9
185.13377	3.0
187.14809	3.3
189.12802	2.4
189.16331	14.0
191.17892	71.9
193.12274	5.9
201.16411	3.7
203.16150	2.4
203.17952	19.1
205.12173	3.1
207.13834	5.1
217.19466	9.7
231.21004	2.5
289.47888	2.5
327.23019	2.7
379.29742	11.2
397.30942	70.8
405.80801	2.7
415.32092	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	415.3204
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
50.14051	1.0
52.37784	1.0
53.58187	1.3
54.82145	1.2
55.05493	7.9
55.83018	1.1
57.03407	1.0
57.07064	2.6
59.27885	1.1
67.05489	17.3
69.03410	2.0
69.07041	13.0
79.05460	10.4
81.07034	26.6
83.04963	5.4
83.08617	6.0
85.06545	1.8
91.05447	9.2
93.07023	24.5
95.08579	80.9
96.08880	1.3
97.06532	2.1
105.07003	25.3
107.08572	43.6
109.10137	23.8
111.11697	1.9
118.44960	1.4
119.08541	46.3
121.06479	11.0
121.10120	21.9
123.11680	8.0
131.08534	8.5
133.10112	19.2
135.07996	2.5
135.11667	27.5
137.09674	1.3
137.13274	2.8
143.08548	1.5
145.10109	11.8
147.08052	2.5
147.11664	17.4
149.13274	11.2
155.10631	1.9
159.11635	13.6
161.09583	6.7
161.13213	28.3
163.14801	6.1
171.11656	1.7
173.09653	5.0
173.13231	14.1
175.11177	5.7
175.14772	3.1
177.12595	1.4
185.13255	1.8
187.11101	2.0
187.14774	12.3
189.12737	6.2
191.10643	1.8
191.14220	2.0
191.17998	2.4
193.12219	1.4
199.14839	1.8
201.16441	2.7
203.17863	2.1
207.13814	1.7
228.86340	1.3
243.21014	73.7
261.22131	16.7
325.25336	2.5
328.87289	1.3
330.03412	1.3
397.30801	6.8
415.31998	100.0
436.29681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13373	1.3
53.03931	3.1
55.05493	9.6
61.62512	1.4
67.05484	20.8
69.07034	5.7
77.80883	1.5
79.05476	25.2
81.03408	13.3
81.07034	37.6
83.04939	1.9
83.08610	8.9
85.02869	2.7
89.79136	1.7
91.05461	49.1
92.08644	3.5
93.07020	39.0
95.04959	2.8
95.08586	27.4
96.18510	1.5
97.06477	2.1
105.07012	62.6
107.04913	1.7
107.08588	27.6
109.02879	24.7
109.06499	2.5
109.10125	17.2
110.59276	1.6
115.05444	2.5
117.06982	35.2
119.08557	38.7
121.02802	2.0
121.06508	3.5
121.10150	15.5
125.05975	4.0
128.06210	7.4
129.06979	24.2
130.07802	3.2
131.08530	45.9
133.10103	28.7
135.11674	14.0
137.05916	1.8
139.07520	2.3
141.06961	14.1
142.07774	6.7
143.08549	30.5
144.09309	2.8
145.10106	69.4
145.15210	1.6
147.08061	3.6
147.11658	22.9
149.13202	6.5
155.08517	17.8
157.06525	2.4
157.10089	19.5
159.11668	44.1
161.09616	3.2
161.13249	19.6
163.11150	8.1
165.06947	2.3
165.49455	1.6
167.08549	8.2
168.09323	2.3
169.10098	16.1
171.07977	2.3
171.11656	11.9
173.09615	2.4
173.13257	7.5
175.07506	12.0
175.14836	2.9
177.09050	3.1
179.08521	2.2
180.09286	2.0
181.10103	10.6
183.11621	19.1
185.13203	10.8
187.14780	3.8
189.09032	6.5
193.10103	6.4
195.11653	13.1
197.13261	9.6
199.14819	12.3
201.12727	3.1
201.16342	2.7
203.10663	1.9
207.11737	3.3
209.13229	11.5
211.11121	2.7
211.14751	6.5
213.09221	2.0
213.12674	1.8
213.16333	2.6
215.17865	3.5
217.15829	2.1
221.13231	2.4
223.14742	2.5
225.12781	1.8
225.16402	3.8
227.10645	13.2
229.12231	10.7
235.14792	3.2
241.12209	3.4
249.16295	3.0
251.17987	3.4
253.19514	6.8
255.13873	4.1
277.19418	3.2
291.21072	10.8
301.19330	2.3
309.22021	6.7
319.20544	9.4
337.21548	100.0
338.21713	2.1
355.22601	56.9
374.23843	2.5
415.24634	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	415.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98304	1.3
53.03927	6.6
55.05496	3.8
55.07505	1.2
65.03931	1.7
66.01521	1.2
67.05489	18.3
69.07048	2.7
79.05470	22.0
81.03388	14.2
81.06668	1.5
81.07044	26.6
83.08595	2.4
85.02898	1.7
91.05456	47.2
92.08768	2.2
92.09284	2.2
93.07016	28.6
95.08585	20.9
97.06451	2.0
102.87170	1.4
105.07011	55.2
107.04937	1.7
107.08580	26.9
109.02857	35.5
109.06490	3.6
109.10131	10.0
115.05396	2.2
117.06992	28.9
119.08547	37.2
121.02837	2.6
121.06543	4.7
121.10077	10.9
125.05932	1.6
128.06166	7.9
129.06946	18.3
130.07658	1.5
131.08546	36.3
133.10095	31.5
135.07996	2.3
135.11638	9.2
137.05910	1.6
139.07452	2.1
141.06956	6.3
142.07770	2.8
143.08537	24.8
145.10107	50.8
147.08020	2.8
147.11687	21.5
149.13231	2.4
155.08507	14.2
157.06433	1.9
157.10086	17.6
159.08057	1.6
159.11652	34.9
161.09541	1.5
161.13200	16.5
163.11147	2.9
167.08499	7.9
169.10051	13.6
171.11629	15.4
173.09654	1.7
173.13243	9.0
175.07512	10.1
179.08519	1.7
181.10091	11.1
183.11644	15.0
185.13159	12.2
187.14803	6.0
189.09073	2.7
191.10585	2.1
193.09988	2.3
195.11638	9.1
197.13205	9.3
199.14790	7.7
201.12669	1.8
203.10664	2.0
207.11578	2.8
209.13242	11.7
211.11115	2.7
211.14745	6.0
212.46777	1.8
213.16403	6.4
221.13280	2.2
223.11044	1.7
223.14796	1.8
227.10568	9.7
229.12201	7.8
234.13649	1.6
235.14777	6.9
237.12613	1.6
241.12195	6.4
243.13808	1.9
249.16222	2.3
255.13773	7.8
270.03940	1.5
277.19376	2.3
291.20966	7.3
309.22076	6.8
319.20599	5.9
325.16843	1.8
337.21542	100.0
338.21887	10.1
355.22565	31.0
356.22900	9.5
373.23633	10.9
374.23853	10.2
397.23691	3.3
410.97336	1.5
415.24582	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	415.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26514	1.8
53.03934	3.0
55.05497	12.9
59.95635	1.8
67.05489	23.8
69.03386	1.7
69.07058	4.5
74.90604	2.0
79.05471	26.6
81.03393	16.7
81.07039	33.6
83.08604	8.0
84.57666	2.0
85.02878	2.9
89.38830	1.7
91.05458	57.6
92.08850	15.2
93.06564	2.2
93.07036	35.4
95.04937	4.3
95.08598	19.1
103.05408	3.2
105.06351	3.6
105.07011	61.9
107.08564	33.6
109.02863	44.6
109.06462	2.7
109.10152	15.1
115.05430	2.6
115.73048	2.0
117.07000	41.8
119.08558	32.9
121.02816	2.5
121.06485	3.1
121.10121	19.7
125.05935	4.3
128.06230	3.7
129.06966	16.7
130.07809	3.1
131.08549	42.4
133.10107	30.5
135.11668	10.8
139.03802	1.9
139.07526	2.6
141.06952	9.8
142.07765	4.0
143.08542	27.9
143.61600	1.9
144.09296	4.2
145.10103	78.2
147.08026	3.0
147.11671	23.6
149.13217	3.2
153.06744	2.2
155.08542	17.2
156.09372	2.6
157.10118	28.2
159.11668	39.5
161.13199	12.8
163.07579	2.7
163.11122	4.8
167.08540	4.5
168.09303	3.0
169.10016	15.4
171.08122	1.8
171.11665	13.2
173.13213	8.2
175.07547	9.4
175.11157	1.8
175.14798	3.2
179.08499	2.9
181.10085	9.8
183.11647	17.7
185.13200	13.0
187.07550	2.1
187.14845	2.9
189.09023	2.4
194.10805	2.0
195.11610	11.9
197.13219	14.7
199.14792	13.3
203.10783	2.4
207.11748	3.0
209.09454	2.1
209.13205	11.9
211.11099	2.2
211.14784	4.2
213.16396	4.8
215.17897	2.4
227.10654	8.1
227.17902	2.5
229.12215	3.7
235.14778	4.8
239.17896	2.7
241.12132	2.7
249.16347	3.6
253.19449	3.4
255.13800	2.4
269.15451	2.6
281.15155	2.5
291.17581	2.2
291.21048	7.0
309.22089	4.7
319.20474	9.2
337.21521	100.0
338.22110	2.9
355.22565	28.0
356.22830	3.7
370.81592	1.9
373.23721	9.0
374.24005	4.6
415.24423	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	414.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66182	1.7
52.41878	1.8
54.77494	2.0
55.05263	2.6
55.05505	47.7
57.07067	24.7
58.06570	3.6
58.21718	1.9
67.05480	4.9
69.06712	2.9
69.07053	62.3
71.08611	17.6
71.27885	1.6
79.05460	2.0
81.07021	13.6
83.04932	2.1
83.08597	45.3
85.10138	3.8
87.04456	1.8
91.05441	2.3
93.07014	3.0
95.08574	11.9
97.10149	28.7
102.05528	22.3
104.07085	100.0
107.08559	4.3
109.10148	2.4
111.11709	10.5
121.10133	3.2
125.13216	2.8
135.11690	2.0
163.64008	1.9
210.14337	2.5
216.04329	2.4
224.88422	2.2
236.79289	2.0
275.27173	2.2
293.28259	10.9
346.81567	2.3
382.65945	2.1
396.34650	19.4
414.35403	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64257	1.4
52.03670	1.6
55.05506	100.0
57.07059	7.3
67.05188	2.1
67.05497	37.0
69.07045	14.3
70.06564	1.7
71.04992	3.2
71.08606	2.7
79.05466	11.5
81.06591	3.6
81.07038	56.2
83.08613	53.1
85.06516	2.9
86.51025	1.6
87.04429	2.3
91.05452	7.6
92.09369	2.0
93.07023	19.0
95.08593	38.6
97.06525	6.8
97.10160	2.8
105.07011	8.5
107.08584	13.2
109.10139	21.0
114.37083	2.0
119.08581	7.3
121.06492	3.4
121.10101	12.5
123.08057	2.0
123.11705	10.6
131.08522	2.9
133.10094	6.7
135.11690	3.8
139.11198	1.9
145.10091	2.3
147.11684	4.1
161.13199	3.4
173.11774	6.5
173.13144	2.3
243.21158	2.3
261.22070	3.3
271.15195	2.2
279.23105	24.8
297.24142	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	414.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05496	6.8
65.03903	1.6
67.05489	16.6
69.03432	0.8
69.07052	3.4
70.06565	0.9
71.04971	1.0
79.05473	22.4
81.03403	3.8
81.07037	26.7
83.08589	6.2
85.02894	0.9
91.05465	20.6
92.08802	3.9
93.07023	37.0
95.04935	4.4
95.08585	28.1
97.02879	3.2
98.97578	1.4
101.18372	0.8
103.05419	1.0
105.03399	1.2
105.07011	38.8
107.04943	3.8
107.07861	1.6
107.08578	31.1
109.06515	3.3
109.10138	17.9
111.04449	1.7
115.05403	1.2
117.06985	7.4
119.08564	29.5
120.08093	1.6
121.06485	4.6
121.10124	17.7
123.04433	1.5
123.08060	1.1
123.11677	1.1
125.02315	8.3
125.05964	3.7
127.03893	4.4
128.06259	1.2
129.07001	7.1
131.08545	17.9
131.79907	0.8
133.06493	1.4
133.10107	26.0
135.04480	0.9
135.08000	1.0
135.11665	30.4
137.05882	1.5
139.03906	5.6
140.59227	0.8
141.05406	0.9
141.06976	3.0
142.07745	1.4
143.08546	13.9
145.06451	0.9
145.10089	16.0
147.04381	1.1
147.08031	5.3
147.11662	22.4
149.05969	3.5
149.13269	10.9
153.05441	1.7
153.06868	0.8
155.08524	9.4
156.09238	1.2
157.10109	12.9
159.08044	1.8
159.11673	16.3
161.09644	1.8
161.13226	29.1
163.07558	2.9
165.09192	1.2
167.07092	1.5
167.08557	3.3
168.09296	0.8
169.10066	7.8
171.11647	7.5
173.09566	1.2
173.13206	7.0
175.07512	5.3
175.11256	0.9
175.14754	1.4
177.09100	4.0
179.07161	0.8
181.04927	3.8
181.10092	4.2
182.10875	0.9
183.11661	10.2
185.09621	3.0
185.13208	6.0
187.07452	1.3
187.11209	1.2
187.14783	1.8
189.09055	1.1
193.08557	1.4
193.10204	1.5
195.06479	3.9
195.11705	3.8
197.13264	5.5
199.11099	1.2
199.14801	3.6
201.09131	1.1
201.12733	1.3
201.16414	1.3
203.10632	4.2
205.04991	8.6
207.11618	1.2
209.13235	5.4
211.11201	3.4
211.14734	1.7
213.16339	4.0
215.10622	1.4
215.17926	20.9
221.13284	1.3
223.14742	1.8
225.16301	1.3
227.10616	4.0
227.14359	1.6
229.12221	7.8
229.19447	10.1
235.14841	1.6
237.12650	1.8
237.16389	1.9
243.13721	3.4
248.62248	0.8
249.16321	1.4
253.19312	1.4
255.13831	5.6
265.19507	1.1
273.14856	3.1
277.19495	1.8
281.15167	1.0
287.16309	1.0
291.21005	5.4
309.22043	6.1
311.20111	1.4
319.20471	5.1
337.21506	28.4
355.22604	100.0
356.22867	1.1
373.23672	31.8
414.15356	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	414.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05302	0.2
55.05504	2.8
57.04516	0.1
65.03910	0.4
67.05492	9.3
67.26521	0.1
69.03406	0.4
69.07061	1.4
69.28859	0.2
70.11972	0.1
79.05472	7.1
81.07038	14.9
83.04949	0.4
83.08603	6.9
91.05457	8.1
92.09367	0.3
93.07023	10.3
93.54671	0.2
95.04948	2.6
95.08583	20.5
97.06506	0.4
97.10110	0.3
98.45348	0.2
103.05453	0.3
105.03368	3.1
105.04475	0.2
105.07010	13.7
107.04932	0.8
107.08575	10.5
109.06486	1.1
109.10140	8.6
111.04414	0.2
111.08085	0.3
115.05419	0.3
115.31750	0.2
116.06207	0.4
117.07001	2.9
119.04895	0.3
119.08562	11.2
121.06477	2.2
121.10120	11.6
123.04385	2.0
123.08033	1.1
123.11693	0.8
124.05141	0.4
125.05963	0.9
128.06190	0.4
129.06981	3.1
130.07762	0.3
131.08545	8.2
133.06464	4.2
133.10098	6.2
135.08049	2.2
135.11676	7.1
137.05991	0.3
137.09598	0.3
137.13261	0.2
141.07002	0.7
142.07750	0.8
143.08545	4.8
145.06454	0.9
145.10103	4.9
147.08032	2.6
147.11667	4.3
149.05977	0.2
149.09628	0.3
149.13232	2.9
151.07523	3.0
153.05550	0.2
155.08545	1.9
156.09253	0.3
157.06441	0.3
157.10092	3.9
159.08046	1.0
159.11665	5.2
161.05957	2.8
161.09607	1.4
161.11885	0.4
161.13234	10.0
163.07484	2.2
163.14804	1.1
165.09070	0.4
167.08505	0.3
168.09328	0.4
169.10078	2.3
171.08000	1.0
171.11684	2.0
173.09607	0.4
173.13190	2.2
175.07501	7.8
175.11201	0.3
175.14801	4.3
177.09055	2.5
177.16339	9.1
179.06999	25.2
180.07758	0.7
181.10109	1.1
182.10820	0.3
183.11647	3.2
185.09634	0.7
185.13203	2.1
187.07452	1.4
187.11208	0.8
187.14806	1.4
189.09094	5.5
191.07024	0.9
191.10600	0.4
193.08598	1.0
195.11630	1.5
197.09627	0.2
197.13208	1.5
199.11229	0.4
199.14781	1.9
201.09132	1.4
201.12714	0.8
201.16388	0.4
203.10626	1.3
203.17967	1.0
205.08597	0.5
205.12131	0.2
207.11758	0.3
209.13260	1.1
211.11163	0.8
211.14836	0.8
213.09100	0.7
213.12755	0.8
213.16348	0.9
214.17104	0.3
215.10622	2.1
215.14128	0.2
217.12222	0.4
217.15826	0.2
221.13214	0.4
223.14793	0.4
225.12756	0.2
227.10657	2.8
229.12201	2.9
229.15833	0.4
231.13808	1.6
231.17314	0.3
232.18246	0.4
233.11682	0.8
235.14713	0.3
237.12733	0.7
237.16301	0.3
239.10753	0.2
239.14281	0.2
241.12239	2.1
243.13762	1.2
245.11613	0.3
245.15280	0.4
247.13295	0.8
249.16286	0.3
251.17882	0.4
253.12132	0.2
255.13736	4.3
257.15344	0.3
259.13217	0.3
269.15402	0.4
273.14816	3.7
277.19476	0.3
281.15344	0.9
291.21036	1.4
293.22754	0.2
295.16785	0.3
299.16428	0.2
309.22086	0.8
313.21597	1.0
319.20551	1.0
327.23267	0.3
337.21564	12.3
337.25674	0.4
355.22644	6.6
373.23651	100.0
374.23956	1.3
408.81046	0.2
429.07104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31962	0.9
53.03945	1.6
54.86934	1.0
55.01860	5.6
55.05505	2.8
57.03429	25.6
57.07055	1.7
59.04982	5.9
59.06664	1.2
60.47144	1.1
61.02914	9.1
61.13659	1.1
67.05492	2.4
69.03414	81.4
69.43221	1.1
70.06577	1.4
71.01322	1.5
71.04958	2.3
73.02898	30.0
75.04472	2.8
79.05479	1.8
79.72873	1.0
81.03400	7.9
83.04982	1.8
83.08614	1.3
85.02889	100.0
85.10162	7.4
86.09702	2.2
87.04451	40.3
91.03941	2.2
97.02869	71.1
99.04416	4.9
100.11258	1.5
103.03895	1.9
104.55154	1.2
105.07010	10.0
109.02856	8.4
111.04410	2.5
114.09153	1.7
115.03916	57.2
120.08113	1.3
122.06007	1.8
122.09628	2.9
127.03891	24.6
128.10680	1.6
133.04947	53.6
142.08653	1.3
145.02870	1.8
145.04941	21.7
147.04367	2.5
150.07603	1.7
156.10060	1.6
163.05984	7.1
177.05496	1.2
202.61624	1.1
206.11702	2.5
217.12265	1.4
222.31546	1.3
223.05992	2.6
241.07074	4.8
252.12135	1.4
259.07996	12.4
277.08957	2.7
295.10165	19.0
384.28793	1.4
404.81256	1.5
414.17975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01364	1.1
53.03928	1.7
55.01860	1.2
55.05494	6.9
55.29405	1.2
57.77411	1.2
58.85005	1.2
63.37954	1.3
63.56794	1.3
67.05484	14.3
69.03408	1.8
69.07034	5.2
73.06612	1.4
77.03860	1.3
79.05469	22.9
81.03379	1.7
81.07039	25.9
83.08585	2.0
85.02906	2.5
91.05456	33.3
93.07024	47.2
95.04941	5.6
95.08583	34.1
97.06514	1.4
102.35619	1.3
102.77908	1.5
105.03376	1.5
105.07013	51.9
107.04901	1.6
107.08570	35.7
109.02860	2.2
109.06513	5.8
109.10145	20.9
111.04379	3.2
117.07001	19.7
119.08562	35.7
121.06470	7.6
121.10123	22.5
123.07984	2.4
123.11691	2.1
125.02331	6.9
125.05950	2.2
127.03931	3.2
129.06976	9.8
129.61978	1.5
130.07718	1.4
131.08525	30.6
133.06467	2.1
133.10118	33.7
133.11052	2.8
135.08011	3.5
135.11667	25.5
137.05968	2.0
139.03854	2.3
139.07567	2.3
141.06944	2.9
142.07755	2.2
143.08521	16.6
144.09352	1.6
145.10106	52.5
147.08035	3.5
147.11653	22.9
149.05934	2.1
149.13193	9.6
151.11185	2.2
153.05388	1.5
155.08510	13.0
157.06467	1.7
157.10109	24.3
159.08107	2.0
159.11653	32.6
161.09592	2.4
161.13223	26.2
163.07535	2.7
163.11098	13.7
165.06960	2.9
165.08997	2.3
167.08560	1.9
168.09384	1.8
169.10130	12.1
171.11681	13.4
173.13199	10.2
175.07419	1.9
175.11079	1.8
175.14737	2.5
177.09088	2.6
181.10054	6.4
183.11621	14.1
185.13179	14.6
187.14790	5.7
189.09065	2.7
191.10583	2.0
193.08437	1.7
193.10126	3.3
195.11664	9.4
197.13202	8.9
199.14812	10.0
201.16394	1.8
203.10707	1.6
207.11678	2.2
209.09467	1.7
209.13219	9.7
211.11124	3.1
211.14830	3.6
213.16301	2.7
215.14432	1.6
215.17940	18.8
219.11658	1.8
221.13144	2.4
223.14682	2.4
225.12630	1.8
227.10599	2.9
229.12163	3.7
229.19417	6.1
235.14780	8.5
237.16425	1.8
239.18044	2.5
241.12169	1.8
243.13680	2.7
249.16318	2.8
251.17828	2.2
253.19398	2.9
255.13756	3.4
263.17801	2.0
273.14825	2.3
277.19424	7.2
281.15259	1.6
291.21042	10.4
293.22336	1.5
295.16742	2.5
309.18878	1.8
309.22141	13.9
311.23624	1.5
319.20383	7.7
337.21552	61.7
355.22601	100.0
373.23630	98.7
384.87643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03484	0.5
53.00293	1.2
53.03922	0.9
54.81704	0.5
55.01858	2.7
57.03426	27.4
59.04988	4.9
60.04504	0.8
61.02914	4.9
62.79210	0.5
64.35494	0.6
68.58064	0.6
69.03411	76.9
71.04970	0.8
73.02896	4.6
75.04455	4.4
81.03365	5.3
81.83204	0.5
83.04967	0.9
83.40583	0.5
85.02885	100.0
85.10149	3.9
86.09687	2.4
87.04446	48.3
91.03926	3.0
91.05447	1.1
93.07022	0.7
95.04931	1.1
97.02862	61.7
99.04436	5.5
101.02358	0.8
103.03936	2.4
105.06975	0.6
109.02881	6.2
109.51704	0.6
111.04412	1.0
115.03900	52.6
127.03890	17.0
133.04936	47.4
139.03847	0.6
145.04938	23.4
150.07571	4.4
163.05965	11.2
169.04912	1.2
217.14178	0.9
223.05974	0.8
241.07007	1.3
259.08069	1.3
265.16333	1.3
277.09134	2.9
295.10248	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	414.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
53.03934	1.7
55.01871	1.5
57.03173	1.4
57.03430	28.8
59.04987	5.1
60.04490	1.1
61.02910	5.0
63.74813	0.8
69.03416	88.3
71.04978	1.2
73.02896	5.9
75.04445	4.3
75.16759	1.0
79.16848	0.8
81.03397	4.7
82.79549	1.0
83.04945	0.9
85.02889	100.0
87.04451	49.5
87.04987	1.8
91.03935	1.8
92.08999	12.5
97.02870	63.9
97.03498	2.2
99.04408	3.8
100.87204	0.9
109.02851	5.1
115.03912	51.2
127.03909	13.3
133.04938	53.5
137.09666	1.2
145.04935	22.9
150.07594	4.6
163.05933	9.4
183.96596	1.1
238.65906	0.9
259.08084	4.5
268.88492	0.9
295.10205	3.8
359.41873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
55.01864	2.1
55.05497	1.4
57.03425	28.7
58.37053	0.8
59.04985	4.0
61.02905	6.9
67.05485	2.2
67.85400	0.9
69.03413	84.2
71.04979	1.9
73.02898	3.8
74.15437	0.8
75.04455	4.2
79.05482	1.5
81.03397	10.4
81.07030	2.5
83.04952	4.5
85.02885	100.0
85.06523	29.9
85.07007	1.5
87.04444	50.9
89.00237	0.9
91.03930	4.1
92.09077	1.3
93.06998	1.2
95.04923	1.4
97.02868	56.2
99.04431	6.8
103.07581	1.7
107.08596	1.2
109.02867	6.1
109.06510	4.3
115.03902	50.6
123.08046	1.6
126.67844	0.9
127.03901	16.5
133.04947	42.6
135.08031	5.7
140.85095	1.3
145.04936	21.2
150.07576	3.5
151.07454	1.5
153.09131	3.6
163.05962	8.8
163.07321	1.6
177.76060	0.9
199.09572	12.3
217.10689	2.2
217.38220	1.1
221.58842	1.0
228.80165	1.1
229.10721	6.9
241.07066	1.5
259.08069	3.9
272.38477	1.1
277.09125	1.2
295.10297	1.9
349.19778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.5
54.81522	0.9
55.01870	1.6
55.05507	2.3
57.03431	20.0
57.07068	100.0
58.99149	0.8
59.04986	2.4
61.02910	5.5
62.06085	1.0
69.03418	77.5
69.07048	5.0
70.06555	1.2
70.74374	0.8
71.04971	1.4
73.02910	1.7
75.04459	1.4
75.84132	0.9
81.03409	2.2
83.08606	11.9
85.02361	1.0
85.02892	45.7
85.06528	53.6
86.09739	1.1
87.04451	23.9
87.04974	1.1
87.08090	0.9
89.46930	0.8
90.52531	0.9
95.01302	1.4
95.08591	4.5
97.02868	40.4
99.04433	3.9
103.07601	1.2
109.02873	5.2
111.08053	12.7
115.03902	17.9
117.02631	0.9
120.73175	0.9
127.03892	33.6
129.09090	20.4
133.04944	14.0
141.01779	2.3
145.04945	10.7
150.07619	4.8
169.08635	1.4
203.12827	5.3
211.09631	5.1
217.10724	1.2
229.10670	11.4
247.11720	80.9
335.54874	1.1
379.16238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24380	4.0
51.44514	4.1
55.05486	22.4
56.96548	6.7
57.07059	5.7
62.42040	4.4
67.05484	30.3
67.95646	4.5
69.07063	35.9
71.04981	4.6
79.05479	33.5
81.07037	81.3
83.08619	11.1
85.06507	16.1
91.05466	24.3
93.07013	83.7
95.08582	100.0
97.06489	5.4
105.07011	78.0
107.08579	92.6
109.06465	5.8
109.10151	57.3
119.08556	83.8
121.10123	89.6
123.08024	5.0
123.11691	28.1
123.39838	4.9
131.08534	34.4
133.10114	65.5
135.11667	92.0
143.08554	10.1
145.10123	45.3
147.11679	61.3
149.13232	25.0
157.10123	11.1
159.11691	39.2
161.13222	49.9
163.14813	43.1
168.11516	4.8
173.13234	26.6
175.14833	9.4
177.12717	22.8
178.22163	6.3
185.13220	29.7
187.14774	41.1
189.16328	23.9
191.17908	97.1
199.14783	10.5
201.16344	7.3
203.14299	35.6
203.17982	24.2
205.15901	21.7
205.19455	8.2
211.49718	5.1
217.19389	21.5
227.17921	6.1
229.19588	6.6
233.19012	5.5
255.88255	4.9
331.15680	20.4
349.16800	40.0
377.31873	9.3
395.32974	97.4
413.15979	11.1
413.26254	6.9
413.34460	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	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
57.03430	33.1
57.07056	2.9
59.04988	4.0
61.02923	1.9
69.03417	100.0
70.06588	1.8
73.02879	1.8
75.04455	3.0
81.03401	6.9
85.02889	77.2
86.82005	1.6
87.04451	60.3
97.02872	76.3
98.97562	1.5
102.49387	1.7
109.02871	1.9
111.04390	1.7
115.03912	69.7
124.94299	1.8
127.03912	8.2
133.04953	64.2
145.04935	9.7
150.07549	8.4
162.07576	2.0
163.05980	2.8
180.08636	1.8
259.08038	2.9
433.02609	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	414.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
57.03430	35.3
57.07073	1.5
58.26994	0.9
59.04977	5.6
60.04519	2.0
61.02910	2.3
66.59394	1.2
69.03417	100.0
71.89396	1.1
73.02905	2.0
74.78748	1.1
75.04444	2.5
81.03412	2.5
85.02894	80.1
87.04452	55.6
97.02873	68.2
99.04446	2.2
109.02855	2.0
109.60330	1.2
111.04464	1.3
115.03910	61.3
126.36961	1.1
127.03908	9.9
133.04944	61.1
143.24051	1.2
144.06599	1.6
145.04913	11.1
150.07562	4.5
163.06023	2.5
180.08705	1.5
247.11693	2.2
259.08109	2.2
262.50195	1.2
302.10529	1.2
368.32870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.341
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
53.32545	2.2
54.34897	2.0
54.81591	2.1
55.05501	4.7
57.07060	2.9
57.11966	2.1
58.73491	2.4
65.48059	2.8
67.05491	11.6
69.07058	15.9
71.08634	2.9
79.05473	13.8
81.07035	32.4
83.08604	4.2
84.08108	3.3
91.05474	12.4
93.07024	37.9
95.04926	3.7
95.08586	55.7
105.07011	32.2
107.08574	45.3
109.06504	6.6
109.10139	27.4
115.52798	2.6
117.06966	4.0
119.08578	38.8
121.06456	6.0
121.10096	23.8
123.11699	5.8
124.97784	3.2
130.46501	2.9
131.08548	12.2
133.10103	27.6
135.11658	30.9
143.08583	3.9
145.10126	19.5
147.11670	22.2
149.13255	21.9
159.11661	15.2
161.13274	6.3
163.14801	16.0
171.11685	3.6
173.13255	14.8
175.14793	16.2
185.13272	5.2
187.14784	13.3
189.16327	24.7
191.14265	17.5
191.17964	3.6
199.14754	3.3
201.16396	5.1
207.17465	15.9
213.16443	3.3
223.74614	2.8
223.78401	3.0
241.19487	15.7
281.22757	3.1
317.24673	28.8
337.50519	2.9
377.32059	6.5
395.33212	19.0
413.25989	4.4
413.34131	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	413.3411
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
52.84457	0.8
53.53947	0.9
67.05469	1.2
69.07056	4.5
79.05479	4.5
81.07032	9.9
83.08605	2.5
91.05468	1.1
93.07023	7.0
95.08575	12.3
104.23569	1.1
105.07018	4.2
107.08573	16.7
109.10152	5.5
111.34986	1.1
119.08527	5.1
121.10117	14.4
123.11681	1.5
131.08456	1.2
133.10117	4.2
135.11676	7.2
145.10147	1.6
147.11696	1.6
149.13243	2.5
156.42175	1.0
161.13252	2.2
163.14821	1.7
175.14810	2.0
177.16420	2.5
189.16336	2.4
201.16046	1.1
205.15805	15.1
232.45090	1.0
241.19525	2.2
322.10745	1.2
395.33157	1.4
413.34058	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	413.341
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
55.05488	0.9
59.80730	0.3
64.32510	0.4
64.33683	0.4
67.05489	1.8
69.07040	2.9
71.04961	0.7
72.04495	2.1
76.02253	0.4
79.05462	2.8
81.07047	7.3
83.08585	1.0
85.06522	0.5
85.10084	0.4
86.91314	0.4
91.05456	3.9
92.08733	0.6
93.07021	7.1
95.08580	8.9
97.06528	0.8
97.10143	0.5
105.07007	6.7
107.08573	11.7
109.06514	2.4
109.10139	5.8
111.08072	0.8
119.08567	7.9
121.06489	2.2
121.10116	7.5
123.08059	1.8
123.11694	2.6
131.08540	4.8
133.10094	5.7
135.08040	3.9
135.11668	6.7
137.09615	0.8
145.10115	6.5
147.11665	8.5
149.09592	0.9
149.13255	2.6
157.10028	0.9
159.11632	3.3
161.00806	0.4
161.13249	2.9
162.87004	0.5
163.11165	0.6
163.14822	2.4
170.22531	0.5
171.11658	0.8
173.13164	3.7
175.14752	3.0
177.12698	0.6
178.77827	0.4
179.14157	0.5
183.79964	0.5
187.14798	8.0
189.16382	4.6
191.14377	0.7
201.16376	0.8
203.17924	0.6
205.15871	7.1
207.17389	2.4
215.17877	0.6
241.19548	1.0
248.16476	0.7
255.21146	0.6
259.20593	1.0
259.29709	0.4
265.27536	0.4
317.24799	1.9
343.26105	0.5
377.31870	0.4
395.33008	0.5
413.34070	100.0
414.34161	0.9
419.83740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82190	0.7
55.01858	0.4
55.05506	39.3
57.03429	8.9
57.07084	0.4
57.83105	0.5
58.06616	0.4
59.04980	3.0
61.02896	0.6
61.30717	0.4
67.05433	0.6
69.03417	23.4
73.02887	0.7
75.04447	0.6
79.62190	0.6
81.03394	0.9
81.07039	2.1
82.07347	0.6
83.04962	0.5
83.08604	100.0
85.02891	21.9
86.12939	0.5
87.04450	13.8
92.08671	0.8
97.02874	20.1
99.08098	1.0
101.09637	63.4
109.02873	0.7
111.79664	0.6
115.03155	0.8
115.03915	13.8
119.10674	14.3
126.02506	0.5
127.03877	2.5
133.04932	11.4
137.37605	0.6
139.04027	0.5
139.05310	0.6
145.04926	2.1
157.69717	0.6
194.97748	0.6
354.00089	0.7
413.13989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01856	7.5
55.05495	7.2
57.03404	2.4
57.07058	10.5
57.60324	1.5
57.98976	1.7
59.04995	3.4
59.26369	1.4
63.14912	1.9
67.05491	15.0
69.03412	37.4
69.07069	2.1
70.18012	1.7
70.41467	1.4
71.04971	3.4
79.05476	23.1
81.07040	56.7
83.04964	4.3
83.08592	1.6
85.02865	3.5
85.06538	17.6
86.09674	2.1
87.66415	1.6
91.05471	39.3
93.07026	37.9
95.04934	8.3
95.08591	14.1
97.02873	13.8
97.06541	2.2
105.07017	29.1
107.04932	2.4
107.07865	4.2
107.08582	100.0
109.06509	13.7
109.10146	8.4
111.08061	41.7
113.05972	11.0
116.06166	2.1
117.07019	3.5
119.08563	23.1
121.06484	10.8
121.10122	35.0
123.08041	3.6
125.09566	15.5
127.07513	10.7
130.07780	2.6
131.08559	34.1
133.10106	10.0
135.08014	6.7
137.09612	13.4
139.07520	2.9
143.08519	2.5
145.06488	2.1
145.10115	37.2
147.08038	30.3
147.11642	2.7
149.09608	26.7
153.09087	46.2
157.10057	3.4
159.08080	19.3
163.11192	2.6
173.09560	7.2
173.13193	10.2
177.09024	3.9
187.14821	7.1
189.12495	1.8
191.14314	3.4
193.45049	1.9
194.24663	1.7
205.15781	2.3
205.96120	1.7
215.14250	22.3
228.23692	1.7
233.15355	46.0
251.16547	5.5
413.20294	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	14.2
65.03925	4.5
67.05489	35.5
69.07044	7.7
69.10885	3.1
79.05467	46.9
81.07034	86.7
81.97015	3.2
83.08592	6.5
85.02843	3.1
91.05451	53.1
93.07005	54.8
95.04936	13.2
95.08574	46.5
97.06499	3.3
98.97536	3.7
105.06999	82.2
107.04933	3.6
107.08574	47.3
109.10126	16.9
111.04470	3.9
112.86954	3.1
117.07005	24.3
119.08562	46.0
121.06458	4.4
121.10081	17.4
125.02299	6.0
125.05956	7.8
129.06975	24.3
129.35867	3.6
130.07771	4.2
131.08531	49.4
133.10114	39.0
135.11652	23.3
137.05908	3.9
141.06966	7.2
142.07768	7.8
143.08549	25.8
144.09296	5.6
145.10097	51.6
147.08023	15.2
147.11641	33.5
153.05496	6.6
155.08533	39.5
157.10065	35.3
159.08006	5.5
159.11626	61.5
161.09544	4.9
161.13235	22.9
163.07507	3.9
165.06908	6.8
167.07071	3.5
167.08481	13.1
169.10081	21.3
171.07986	5.2
171.11681	15.9
173.09572	5.9
173.13214	25.3
173.30194	3.9
175.07469	8.2
175.14775	23.4
178.07738	4.0
179.07045	4.9
179.08539	8.0
181.10091	21.1
183.11694	7.8
185.13249	14.9
187.14789	8.0
189.09038	5.7
192.09259	4.4
193.10100	5.3
195.08160	4.6
195.11630	15.4
197.09514	5.0
197.13206	6.6
199.11113	4.3
199.14778	18.5
201.09023	3.9
201.16393	24.3
203.06966	50.4
204.32274	3.3
205.10048	4.6
207.11562	6.2
209.09662	4.4
209.13164	4.9
211.14687	4.7
213.12645	4.2
213.16306	7.7
219.11823	3.9
223.11322	3.6
223.14775	6.6
225.12834	4.7
225.16225	3.2
227.10608	13.4
233.13263	14.1
235.14783	7.4
243.10008	6.5
247.14709	4.3
251.17931	13.1
253.12131	4.6
275.17844	7.0
279.20767	5.3
289.19443	18.4
307.20377	6.8
335.20038	47.3
353.21054	100.0
371.22128	8.1
372.22473	8.4
373.23709	6.6
413.22653	25.6
413.27713	26.8
422.47681	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	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39870	0.3
53.00294	0.8
53.03926	0.5
55.01862	1.7
55.05493	1.8
55.83308	0.4
57.03426	23.8
59.04991	4.6
60.04507	0.8
61.02911	4.9
69.03412	69.8
69.78204	0.5
71.01341	0.7
71.04972	1.0
72.88378	0.4
73.02901	3.7
73.12782	0.3
75.04452	3.0
76.35796	0.4
81.03391	4.7
81.07024	0.6
83.04952	0.6
83.08599	2.9
85.02885	100.0
87.04445	42.1
87.05244	0.6
88.76148	0.4
91.03927	2.7
92.08968	0.9
97.02864	59.4
99.04435	4.7
101.02363	0.8
103.03920	1.8
109.02879	5.7
114.83646	0.4
115.03904	47.1
123.04393	0.6
127.03883	16.1
133.04935	46.8
139.03896	0.6
145.04929	24.6
145.06078	0.9
149.44980	0.4
150.07645	4.7
151.03891	0.4
163.05971	10.8
163.07327	0.5
163.63107	0.4
169.05025	1.7
223.05998	0.5
229.06902	0.6
233.13722	1.5
241.07079	0.8
259.08084	3.7
263.14868	6.3
277.09229	1.6
295.10233	4.1
364.63647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05503	31.1
56.60100	1.2
57.03429	35.0
59.04985	5.8
60.04516	1.4
61.02912	5.3
69.03415	100.0
70.34313	1.2
71.04991	1.5
73.02894	1.8
75.04456	5.9
79.05480	2.2
81.03417	5.3
81.04499	1.4
83.08604	58.9
85.02888	85.1
87.04449	66.6
94.98928	1.1
95.04912	1.2
95.08589	2.1
97.02864	71.5
99.04423	3.2
101.09628	39.4
105.07075	1.2
107.08568	2.9
107.22687	1.3
109.02885	1.8
111.08110	2.3
115.03901	76.5
125.09671	1.6
127.03897	7.1
133.04939	59.9
141.09108	1.5
145.04973	8.1
150.07610	7.4
163.05954	2.3
167.10719	1.5
179.10835	1.5
215.12714	1.7
241.07040	1.5
259.08051	2.8
263.14948	2.1
388.17709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.0
58.06583	0.2
59.04957	0.2
69.03430	1.8
69.07056	0.3
74.56861	0.3
76.07626	0.6
81.03414	0.3
85.02888	2.3
86.09689	100.0
87.04446	0.4
87.10049	0.3
97.02869	1.5
98.97604	0.3
99.04382	0.3
101.05991	1.2
118.08636	1.5
123.55452	0.3
127.03909	0.3
132.10176	40.3
148.03859	0.4
170.05132	0.4
170.13678	0.3
215.75546	0.3
230.24464	0.3
317.07416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18530	2.2
55.05497	10.5
57.07060	3.1
64.34109	2.7
66.85854	2.1
67.05502	24.3
67.39849	2.2
69.07059	22.3
71.04970	2.7
76.69368	2.3
77.71651	2.4
79.05474	12.4
79.37067	2.2
81.07042	48.2
83.08595	6.0
84.08163	8.8
85.06518	4.8
91.05460	12.0
93.07019	37.9
95.08580	100.0
97.10162	4.8
105.03399	6.6
105.07018	23.5
107.08582	48.8
109.10145	51.5
112.48060	2.5
113.09653	4.6
114.88618	2.7
117.06932	2.7
119.08568	39.1
121.10125	41.7
123.11682	12.5
131.08540	6.6
133.10100	34.2
135.11646	19.8
135.81932	2.7
137.13231	3.6
143.08553	11.7
145.10078	15.4
147.11693	25.1
149.13242	21.9
157.10083	4.3
159.11592	5.2
161.13240	22.5
162.96678	2.6
163.14799	11.0
173.13243	5.5
174.80078	3.0
175.14772	6.2
189.16298	12.2
191.17918	40.9
203.17947	14.1
217.19374	9.6
219.17471	3.6
221.18889	3.6
393.31027	4.2
411.36597	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
52.84241	6.1
63.17268	6.2
67.05484	37.2
69.07040	31.5
72.26774	6.0
72.87006	6.4
78.38590	9.3
79.05457	12.0
81.07032	58.3
83.08616	7.1
91.05469	7.9
92.09302	14.3
93.07001	47.8
95.08578	100.0
105.07015	40.6
107.08574	91.8
109.10129	38.0
119.08547	48.4
121.10118	77.0
123.11636	16.4
133.10107	36.5
135.11726	13.2
145.10034	9.4
147.11659	14.9
149.13181	24.2
159.11693	12.5
161.13258	15.4
163.14778	12.7
175.14777	8.4
177.16319	34.5
189.16452	11.2
203.17943	13.4
215.17725	7.9
217.19562	9.8
231.21031	11.1
282.51685	7.5
286.51572	7.2
368.96555	8.3
393.35092	39.4
411.36270	65.7
420.19629	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	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05493	15.1
57.07064	6.4
58.60288	2.9
64.24104	3.4
67.05490	22.3
69.06731	4.0
69.07055	35.4
71.08617	3.4
79.05460	17.0
81.07040	62.4
83.08603	8.0
85.37093	3.1
86.76892	3.6
88.79115	3.5
91.05466	7.6
93.07028	41.7
95.08585	100.0
98.98450	4.9
105.07027	39.6
107.08575	74.9
109.10127	44.4
118.25554	3.2
119.08565	48.8
121.10132	49.9
121.49632	3.1
123.11676	21.0
131.08556	14.6
133.10080	42.5
135.11627	41.0
143.68568	3.7
145.10098	19.1
147.11647	36.7
149.13252	8.2
155.01003	4.2
157.10110	3.9
159.11630	8.2
161.13231	14.3
163.14758	20.9
173.13139	6.3
175.14799	13.9
177.16353	7.1
187.14807	14.3
189.16385	45.6
191.18036	7.0
201.16353	7.7
203.17880	24.3
207.17462	5.1
215.17986	4.7
257.22693	4.3
274.90451	3.8
393.35260	6.5
411.36340	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	412.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.1
54.81236	0.8
55.05502	1.7
57.03428	35.9
57.31621	0.7
58.70501	0.8
59.04990	10.4
60.04513	0.9
61.02912	1.3
69.03414	100.0
73.02891	1.8
75.04453	4.2
81.03397	1.9
83.04469	1.3
83.04967	40.7
85.02890	65.3
87.04450	60.7
92.08649	0.9
92.09140	3.2
95.08588	1.4
97.02866	78.7
99.04437	1.0
101.05998	32.6
102.23752	0.9
109.02861	1.4
111.51174	0.9
115.03911	68.4
127.03879	4.7
133.04938	55.6
145.04906	6.2
150.07648	1.2
179.07004	1.4
197.08075	3.4
215.09085	5.8
241.06920	1.1
245.10129	5.9
259.08121	1.4
261.67731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46552	1.0
55.05505	15.3
55.89893	1.1
57.07072	2.4
67.05492	25.3
67.26315	1.0
69.07052	22.7
71.04979	1.2
79.05471	19.3
79.18028	1.3
81.07038	54.5
83.08617	7.9
91.05459	20.1
93.07023	53.1
95.04950	2.3
95.08584	100.0
97.10149	5.6
105.07002	44.3
105.07643	2.0
107.08577	80.7
109.09393	1.9
109.10136	49.0
111.08078	3.0
117.07033	2.4
119.08560	70.2
121.10118	58.6
121.10967	2.0
123.11689	15.0
129.73558	1.3
131.08559	6.1
133.10104	46.6
135.11684	35.4
137.09564	1.5
137.13283	7.5
143.08569	1.9
145.10110	12.9
147.11664	41.5
149.13222	19.5
157.10138	2.2
159.11667	13.2
161.13208	25.5
163.14804	22.6
165.16306	1.5
170.21233	1.3
173.13220	10.0
175.14777	19.3
177.16333	16.3
179.14267	6.6
185.13199	2.3
187.14809	10.2
189.16368	32.7
191.17876	18.7
199.14830	2.1
201.16298	9.1
203.17923	42.7
203.19688	2.5
205.19568	2.9
207.17491	5.9
213.16345	1.5
215.17963	8.9
217.19583	6.8
227.17975	2.4
229.19438	3.2
231.21065	5.3
243.20906	1.8
255.21170	1.6
257.22638	2.2
297.25937	1.8
393.35352	14.6
411.31396	2.5
411.36255	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29417	2.3
55.05498	19.4
57.07061	5.3
67.05488	23.2
69.07043	19.4
79.05469	15.9
81.06597	3.4
81.07034	51.3
83.08614	5.4
91.05456	17.2
91.82158	2.6
93.07021	37.3
95.08580	100.0
97.10139	3.4
100.12173	2.8
105.07011	66.3
105.07661	5.4
107.08582	63.6
109.10149	48.3
117.07020	3.6
119.08563	84.3
119.72538	3.1
121.10139	46.1
123.11684	19.4
128.73926	2.8
130.50418	3.4
133.10127	36.6
135.11668	26.5
137.13219	10.9
145.10107	6.7
147.11671	27.6
149.13222	14.5
157.10158	3.2
159.07692	2.9
159.11647	5.8
161.13240	22.3
162.01320	3.2
163.14766	16.4
173.13155	12.5
175.14798	17.1
177.16289	6.0
179.14249	6.6
187.14745	6.9
189.16365	23.0
191.17903	19.0
203.17960	24.4
207.17407	3.1
215.17876	3.3
296.98325	3.0
393.35202	7.4
411.36343	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65260	2.1
54.81704	2.3
55.05498	16.2
57.07071	3.0
61.39273	2.0
67.05490	27.0
69.06727	2.8
69.07039	25.4
77.85755	2.2
79.05465	12.2
81.07040	59.1
83.08603	9.6
91.05470	17.0
92.09107	4.7
93.07030	40.7
95.08588	100.0
97.10180	4.5
100.18489	2.7
105.07018	36.2
107.08577	64.4
109.10147	54.1
119.08556	57.6
121.10120	51.2
123.11687	19.3
131.08575	5.5
133.10112	45.6
135.11670	43.4
137.13258	5.7
143.08580	4.1
145.10127	13.2
147.11639	28.6
149.13243	15.8
159.11652	16.1
161.13216	35.1
163.14810	15.0
171.11562	3.5
172.22675	2.3
173.13255	11.0
175.14781	38.2
177.16351	11.5
185.13223	3.9
187.14844	13.7
189.16341	34.3
191.17924	14.9
201.16388	12.9
203.17972	16.5
207.17419	37.4
215.17923	10.5
217.19441	5.2
227.17813	2.6
229.19569	4.9
243.20990	4.8
257.22534	4.5
269.22495	3.7
315.26807	4.9
365.31723	3.7
393.35022	16.9
411.32211	13.8
411.36130	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46621	1.6
55.05513	15.9
57.07064	3.3
58.06595	1.7
67.05501	25.5
69.07049	21.9
79.05488	18.5
81.06591	3.5
81.07037	61.8
82.60709	2.1
83.08607	9.6
91.05465	19.9
92.09269	3.9
93.07027	45.1
95.08587	100.0
97.10152	4.3
105.07014	53.7
107.08579	71.2
107.23697	2.0
109.10149	51.9
111.08074	4.0
119.08571	67.7
121.10136	47.7
123.11679	21.1
126.77155	2.1
131.08560	8.7
133.10100	50.9
135.11671	38.6
137.13219	3.8
145.10091	15.0
147.11664	40.8
149.13240	20.7
151.11162	3.1
157.10080	2.6
159.11681	14.4
161.13235	28.1
163.14767	30.2
165.16586	3.0
171.11667	2.5
173.13234	11.1
175.14781	60.6
177.16364	18.2
179.14284	3.9
187.14723	11.8
189.16356	35.2
191.17909	23.8
201.16373	10.3
203.17920	54.0
207.17422	13.4
215.17897	12.0
217.19455	3.6
221.19009	2.7
229.19458	4.4
231.21011	3.8
243.21140	2.4
255.21083	2.6
257.22574	4.8
262.65323	2.1
351.30298	2.7
365.80179	2.1
393.35074	20.4
411.31458	3.5
411.36514	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	411.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01112	2.8
55.05500	16.7
57.03442	3.2
57.07067	34.8
59.74477	3.0
67.05489	21.9
69.07064	37.1
71.08604	17.5
79.05478	15.8
81.07030	50.5
82.65243	2.9
83.08608	6.7
83.27533	3.2
85.10132	4.1
89.06004	3.6
91.05457	35.9
92.15704	3.3
93.07023	39.8
95.08591	86.5
98.98438	34.0
99.61484	3.3
105.07014	41.3
107.08588	55.2
109.10147	41.1
117.06972	5.0
119.08563	65.4
121.10123	46.2
123.11672	20.0
131.08542	7.4
133.10107	68.0
135.11641	39.0
137.13194	6.2
143.08536	4.0
145.10101	18.2
147.00908	3.5
147.11659	57.8
149.13243	15.7
155.01033	23.4
159.11623	15.4
159.36240	3.6
160.53102	3.4
161.13263	30.1
163.14763	18.0
173.13268	4.7
175.14807	18.4
177.16420	6.2
187.14859	13.4
189.16351	100.0
191.17928	25.2
201.16383	6.5
203.17960	35.8
217.19585	5.3
229.19543	4.7
267.43942	3.4
313.27316	21.9
334.76620	3.4
393.35004	14.3
411.36230	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.4
53.03912	2.3
54.81560	1.4
55.01860	2.8
55.05504	66.1
57.03422	3.0
57.07052	6.2
67.05140	2.8
67.05491	77.4
69.07051	32.0
70.95838	1.4
71.04964	9.0
77.90829	1.4
79.05473	27.6
81.07037	100.0
83.04977	6.6
83.08598	13.2
85.06523	6.1
89.96441	1.5
91.05460	19.5
93.07026	33.0
95.04951	2.5
95.08581	99.3
97.06508	6.2
97.10148	19.2
99.08054	1.5
105.07010	20.2
107.08579	27.3
109.06468	2.1
109.10147	42.6
111.08045	2.0
117.06993	3.0
119.08563	18.6
121.10119	23.2
123.11678	13.7
123.88871	1.4
131.08531	11.2
131.97322	1.4
132.95784	1.7
133.10109	17.1
135.07996	2.0
135.11674	17.8
137.13257	6.3
143.08615	1.4
145.10104	11.0
146.97424	1.5
147.11662	8.8
149.13223	8.9
150.96899	5.3
156.58873	1.2
159.11671	7.5
161.09564	1.4
161.13197	9.0
163.11070	2.0
163.14760	1.8
165.12683	2.1
173.11761	2.5
173.13216	5.0
175.14815	7.2
179.14273	2.6
187.14810	2.2
189.16283	1.5
196.95055	2.3
203.14299	3.3
203.17746	1.7
243.21030	2.9
261.22037	12.8
279.23053	31.6
297.24326	2.0
328.19232	3.0
352.18875	1.8
370.20419	16.7
388.21304	6.5
411.32098	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	411.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18530	2.2
55.05497	10.5
57.07060	3.1
64.34109	2.7
66.85854	2.1
67.05502	24.3
67.39849	2.2
69.07059	22.3
71.04970	2.7
76.69368	2.3
77.71651	2.4
79.05474	12.4
79.37067	2.2
81.07042	48.2
83.08595	6.0
84.08163	8.8
85.06518	4.8
91.05460	12.0
93.07019	37.9
95.08580	100.0
97.10162	4.8
105.03399	6.6
105.07018	23.5
107.08582	48.8
109.10145	51.5
112.48060	2.5
113.09653	4.6
114.88618	2.7
117.06932	2.7
119.08568	39.1
121.10125	41.7
123.11682	12.5
131.08540	6.6
133.10100	34.2
135.11646	19.8
135.81932	2.7
137.13231	3.6
143.08553	11.7
145.10078	15.4
147.11693	25.1
149.13242	21.9
157.10083	4.3
159.11592	5.2
161.13240	22.5
162.96678	2.6
163.14799	11.0
173.13243	5.5
174.80078	3.0
175.14772	6.2
189.16298	12.2
191.17918	40.9
203.17947	14.1
217.19374	9.6
219.17471	3.6
221.18889	3.6
393.31027	4.2
411.36597	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3251
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
52.79280	0.7
53.48585	0.6
55.05496	4.3
55.32762	0.7
57.03426	1.2
57.07056	1.4
60.26268	0.7
67.05496	5.4
69.07053	8.1
79.05453	5.8
81.07031	13.5
82.12527	0.7
83.08583	1.6
86.17918	0.7
91.05469	4.8
92.09286	1.5
93.07004	12.2
95.08584	12.0
97.06515	3.0
97.10150	0.8
104.45345	0.7
105.06997	17.6
105.07651	1.0
107.08559	16.1
109.02892	0.7
109.06504	5.2
109.10139	6.8
117.06967	1.1
119.08555	25.0
121.06469	3.3
121.10107	8.4
123.08037	3.7
123.11705	1.9
129.06966	1.2
131.08569	5.1
133.06435	3.2
133.10097	11.2
135.08035	3.4
135.11623	7.9
137.09560	1.0
143.08553	4.2
145.10054	7.2
147.08018	3.1
147.11650	6.7
149.09607	1.9
149.13258	4.2
151.30019	0.7
157.10100	3.4
159.07976	1.1
159.11646	3.9
161.09572	5.6
161.13232	4.5
163.11128	1.0
163.14763	1.3
171.11694	3.6
173.09589	3.3
173.13203	4.7
175.11116	4.7
175.14766	16.3
177.16437	1.0
183.11598	2.9
185.13220	5.7
187.11079	1.3
187.14784	3.0
189.12706	1.7
189.16414	4.1
195.20088	0.9
201.12744	1.9
201.16397	1.3
203.14265	30.9
211.14734	1.0
213.16324	1.1
239.17914	2.9
245.56508	0.8
253.19522	1.5
255.17488	0.9
257.18915	0.8
297.22339	1.8
315.22977	1.0
341.24588	1.7
375.30283	0.9
393.31497	5.1
409.45493	1.0
411.32474	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	411.3255
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
55.01861	0.5
55.05498	7.5
57.03415	0.7
57.07061	0.8
58.45398	0.5
60.94521	0.6
65.03931	0.5
67.05491	4.8
69.07053	4.9
79.05466	4.7
81.07033	8.8
83.08602	2.4
91.05469	4.1
93.03368	0.6
93.07019	10.1
95.04962	1.0
95.08583	22.8
97.06523	0.8
97.10142	3.4
97.90204	0.5
105.07014	10.6
107.04957	7.1
107.08580	13.1
109.06525	1.7
109.10129	7.2
111.08031	0.7
117.07018	0.9
119.04916	2.8
119.08554	15.7
121.06475	0.9
121.10106	7.6
123.11678	3.1
129.07019	0.7
131.08522	2.9
133.06474	4.1
133.10106	10.4
135.07985	0.8
135.11671	9.4
137.09593	0.9
143.08542	3.6
145.10089	4.5
147.08057	3.0
147.11658	5.9
149.09525	0.7
149.13255	3.6
157.10118	3.3
159.08049	2.8
159.11661	2.9
161.09590	5.8
161.13231	3.8
163.11115	0.7
163.14818	0.9
169.10085	1.0
171.11649	1.2
173.09578	1.2
173.13257	3.0
175.11172	1.3
175.14807	10.6
183.11757	1.6
185.13272	2.0
187.11118	1.2
187.14804	1.2
189.12703	3.1
189.16344	11.2
193.15736	0.8
197.13310	0.6
199.14780	0.7
201.12703	0.7
201.16315	0.7
203.14284	11.1
203.18001	0.9
205.15874	0.7
207.17416	1.2
215.14355	0.6
227.14183	0.6
239.17992	0.8
257.18704	0.8
281.72510	0.6
315.23129	40.6
327.22937	4.2
341.24780	4.1
370.20578	0.7
393.31171	0.7
411.32437	100.0
412.32889	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	411.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12203	1.0
51.36243	1.0
54.30968	1.1
55.05512	8.8
55.05726	1.0
57.07062	2.3
61.88380	1.1
67.05480	9.0
69.07041	7.5
79.05469	9.0
81.07048	13.4
83.08585	2.4
86.68363	1.1
87.04441	1.5
91.05442	6.2
93.07000	11.1
95.08583	28.6
97.10148	1.2
104.80333	1.4
105.06986	11.3
107.04921	8.9
107.08584	16.3
109.06525	1.6
109.10133	5.4
119.04930	2.1
119.08558	18.2
121.06471	2.0
121.10128	8.1
123.11645	2.3
126.62299	1.1
131.08519	4.8
133.06505	1.9
133.10115	14.8
135.11659	9.9
137.13208	1.2
143.08524	2.8
145.10089	6.5
147.08046	2.3
147.11664	8.7
149.13211	2.5
157.10017	2.0
159.08040	2.5
159.11700	2.7
161.09595	5.1
161.13185	2.1
170.77789	1.5
173.09554	2.8
173.13263	2.2
175.14787	8.1
187.11211	1.5
187.14749	2.6
189.12766	1.7
189.16290	8.8
196.12531	1.8
198.75308	1.3
203.14287	8.1
207.17404	1.6
215.17976	1.4
228.72830	1.2
241.19449	1.2
315.23126	33.1
327.23114	8.2
341.24756	4.7
411.32486	100.0
412.32831	2.3
413.53464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3252
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
55.01843	1.0
55.05486	4.8
57.07068	1.3
67.05474	5.9
69.07038	6.9
71.04972	1.6
78.64352	1.1
79.05463	6.7
81.07030	15.3
83.08584	4.1
91.05451	7.5
93.07017	14.1
95.04935	1.3
95.08582	18.0
97.06502	1.4
105.07012	17.4
106.71065	1.1
107.08581	18.4
109.06493	6.9
109.10125	7.9
119.08559	36.0
121.06459	1.6
121.10091	11.4
123.08028	4.0
123.11685	2.3
129.06937	1.9
131.08524	6.4
133.06442	4.5
133.10098	19.2
135.08009	2.3
135.11687	9.8
143.08517	7.1
145.10066	9.6
147.08017	2.3
147.11670	12.5
149.09590	4.8
149.13185	4.7
152.06505	1.1
157.10106	4.9
159.07954	2.1
159.11642	6.2
161.09570	7.1
161.13193	7.1
163.11125	4.4
163.14732	1.3
169.10002	1.2
173.09550	1.6
173.13168	6.4
175.11154	5.6
175.14777	24.4
183.11652	1.7
185.13205	5.6
187.11133	4.4
187.14787	5.7
189.12726	2.5
189.16316	1.5
193.15819	1.6
197.13158	1.5
199.14725	1.9
203.14275	39.7
207.17358	1.3
209.13205	1.6
239.17795	2.2
269.18881	2.2
271.20346	1.6
297.22055	8.2
323.23618	2.3
386.15234	1.2
393.31226	5.8
411.32440	100.0
412.33002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3253
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
55.05483	9.2
57.07063	2.0
67.05463	11.6
69.07059	12.5
74.63566	1.6
79.05445	9.7
81.06612	1.5
81.07038	31.3
83.08600	2.7
88.82049	1.8
91.05429	9.0
93.07026	23.8
95.08575	39.6
97.06501	1.9
97.10125	5.8
105.07007	18.3
107.04918	2.5
107.08582	30.1
109.10147	22.0
109.90221	1.7
117.06963	1.9
119.08555	37.0
121.10120	21.0
123.11662	4.2
129.06973	1.8
131.08482	7.1
133.06427	2.2
133.10124	21.1
135.11679	22.3
137.13173	2.7
141.06897	1.8
143.08472	2.2
143.91814	1.6
145.10106	13.0
147.11702	12.2
149.13167	8.9
151.91112	1.8
159.08054	1.7
159.11618	10.8
161.13268	11.7
163.14737	2.9
167.34259	1.7
171.11665	2.1
173.13165	8.1
175.14723	11.1
177.16319	2.9
185.13127	4.1
186.13889	2.1
187.14778	3.8
189.16385	15.6
191.17863	2.3
199.14691	2.8
203.14375	15.1
203.17856	4.1
207.17302	2.7
213.16347	2.4
215.17822	3.1
217.15683	1.9
227.17751	1.9
229.19392	11.1
231.21010	2.1
241.19312	2.6
315.22916	2.9
393.34723	7.2
411.32196	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	411.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22944	1.9
55.05494	14.6
57.03432	2.9
57.07059	10.3
58.34756	2.2
62.47100	2.3
67.05484	16.2
69.07045	17.4
78.92049	2.4
79.05482	13.5
81.07030	36.9
83.08586	12.3
91.05463	38.8
93.07025	30.9
95.04916	3.8
95.08582	74.8
98.98469	2.8
103.05496	2.8
105.07012	74.8
107.08585	66.3
109.06497	3.3
109.10142	30.3
111.08080	2.9
117.06997	16.4
119.08546	75.7
121.10122	26.3
123.11673	13.2
129.06168	2.8
129.06990	24.6
131.08551	24.8
133.10092	56.1
135.11659	56.1
136.11990	2.9
137.09602	4.1
141.06969	3.8
143.08533	31.7
145.10118	12.2
147.11646	31.5
149.13229	14.2
151.11217	4.6
155.08531	16.8
157.10130	13.1
158.57535	2.4
159.11659	12.5
161.13226	15.7
163.14784	12.6
169.10072	20.0
171.11678	5.4
173.13210	59.1
175.14827	34.2
181.10048	2.9
183.11652	6.6
185.13251	4.5
187.14769	15.8
189.12746	23.8
189.16324	100.0
191.14250	2.7
197.13141	5.3
199.14705	4.0
203.14296	10.7
207.17398	72.7
207.19164	4.8
209.13271	3.3
211.14867	3.1
213.16354	15.3
215.17863	10.5
225.16322	4.1
239.17880	16.6
251.17859	5.0
253.19608	3.6
291.20938	3.8
303.23099	13.8
375.30344	28.1
393.31314	21.9
411.32361	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53792	0.8
52.06253	0.8
55.05500	5.6
57.07066	57.4
58.29939	0.9
60.20055	0.7
64.71321	0.8
64.80183	0.8
67.05482	1.7
69.07052	5.6
71.08611	35.4
73.06532	6.0
79.05448	1.4
81.07035	2.0
83.08588	3.6
85.10174	24.1
89.06012	100.0
91.05459	1.4
93.07033	1.8
95.08575	3.5
97.10152	4.5
99.11713	1.9
107.07051	3.6
107.08594	4.0
108.08950	1.0
109.10130	1.7
109.84524	0.9
111.42814	0.8
115.07564	1.1
117.09135	1.3
119.08550	1.8
121.10137	0.9
131.08568	1.2
133.08582	31.2
133.10109	1.4
136.12032	1.0
145.10117	1.1
147.11627	1.7
149.02319	12.8
151.09593	1.3
155.17964	1.4
159.07004	1.1
177.11227	6.0
195.12117	1.3
199.20561	1.8
239.14803	19.0
243.23146	4.4
256.21317	1.0
287.25928	1.0
349.29578	1.1
362.45413	1.0
393.31998	49.9
410.35068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.7
53.03922	0.9
55.01847	1.0
55.05483	3.3
57.03428	13.3
59.04969	2.9
61.02900	1.1
67.05489	0.8
69.03072	1.2
69.03413	27.1
69.07055	13.1
71.04978	0.8
71.08616	7.8
73.02876	1.3
75.04456	0.6
77.63257	0.6
77.85230	0.6
79.05472	8.3
81.03385	3.5
81.07037	100.0
83.04990	5.0
85.02888	33.4
87.04453	15.4
92.08780	1.0
93.11412	0.6
95.04964	0.7
97.02869	24.1
97.06480	2.7
99.04431	1.4
99.08070	77.2
101.11968	0.7
104.46439	0.6
114.37400	0.6
115.03908	14.8
117.09116	9.9
123.08009	0.9
127.03845	1.7
133.04926	10.2
137.05855	1.1
145.04918	3.0
163.03838	1.4
225.39217	0.7
233.12465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.7
53.03933	0.7
55.01858	0.8
55.05511	4.7
57.03178	0.6
57.03433	12.1
59.04989	1.7
61.02905	1.5
67.05483	1.5
69.03416	30.9
69.07053	13.2
71.08620	5.1
73.02901	1.0
75.04449	1.0
79.05478	9.6
81.03383	3.6
81.07037	100.0
83.04962	5.7
83.08579	0.8
85.02889	32.9
87.04446	15.9
91.05492	1.0
95.04960	1.2
95.08606	1.0
97.02871	22.3
97.06520	3.0
99.04424	0.8
99.08070	78.0
105.42478	0.6
109.02892	2.5
109.06506	1.0
111.08105	0.9
115.03912	13.5
117.09099	8.2
127.03912	4.1
131.08588	0.7
133.04939	10.4
135.04407	0.9
141.80183	0.6
145.04967	3.8
163.03896	3.6
182.55045	0.6
199.72353	0.6
213.11229	1.2
279.79440	0.7
340.76834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.05497	2.5
63.50216	1.3
67.05493	24.4
69.03416	2.4
69.07050	2.7
76.69544	1.6
79.05469	23.7
81.07039	100.0
91.05463	32.8
93.07031	20.3
95.04929	9.3
95.08590	10.7
97.02867	2.2
103.05433	2.1
103.98200	1.6
105.07015	40.9
107.04941	1.9
107.08559	14.3
109.06493	3.8
113.34078	1.5
115.05429	2.9
117.07005	18.3
119.08576	16.8
121.06522	3.2
125.02343	7.0
125.05965	6.4
128.06192	8.0
129.06976	18.2
130.07730	2.9
131.08539	23.3
133.06479	2.7
133.10098	10.5
135.08070	1.8
137.05977	1.8
141.06943	5.6
142.07745	17.6
143.08530	27.8
145.06453	2.6
145.09221	1.7
145.10126	21.7
147.07982	3.8
149.06015	2.1
149.09586	1.7
154.07803	2.2
155.08516	21.1
157.10101	51.7
159.11639	13.3
161.09639	3.1
165.06943	2.6
166.07739	2.2
167.08521	2.9
169.10078	12.5
171.11653	10.3
173.13216	8.5
175.07553	2.5
175.11252	2.8
177.09074	2.2
179.08557	2.8
180.09294	2.6
181.10063	8.6
182.10976	2.0
183.08092	2.6
183.11630	11.4
185.09518	2.7
185.13235	7.6
189.09065	3.4
193.10124	5.9
195.11676	7.0
197.09575	2.9
197.13228	6.9
199.14803	9.1
201.16354	8.2
203.07011	10.6
204.09084	1.6
207.10017	2.7
207.11737	3.7
209.13091	2.0
211.11285	1.6
221.13254	2.9
225.12767	2.2
231.09914	2.0
238.73685	1.6
245.13260	2.8
247.14873	3.1
259.14761	1.6
273.16428	2.5
287.17743	7.3
305.18890	3.7
315.17490	2.2
323.19772	1.8
333.18524	17.6
351.19485	56.7
411.21457	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	410.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35883	0.5
52.36564	0.5
53.37729	0.5
55.01855	0.7
55.05498	4.8
57.03411	3.8
57.07045	1.4
61.02904	1.2
67.05147	1.0
67.05486	23.7
69.03413	8.3
69.07050	13.9
71.04971	36.5
73.02908	0.8
76.04533	0.5
79.05467	14.4
81.03396	2.4
81.07036	21.5
82.77349	0.6
83.04944	3.9
83.08598	5.0
85.02880	11.5
85.06519	6.3
85.10125	0.9
86.09644	0.7
87.04474	0.8
91.05437	3.8
93.07016	32.8
95.04922	2.9
95.08580	21.2
97.02837	3.8
97.06506	9.7
99.04432	0.8
99.08067	0.7
105.07003	2.7
107.07874	1.1
107.08570	25.4
109.02854	0.9
109.06464	1.3
109.10139	17.0
111.04427	8.1
111.08040	3.8
113.09645	0.9
115.03931	0.6
117.06982	3.3
119.08554	1.1
121.10109	3.6
123.04395	16.1
125.05958	2.9
125.09646	0.8
126.09176	6.9
126.09959	1.0
127.03889	0.9
127.07504	1.0
129.05444	13.1
131.08522	3.7
133.10106	6.3
135.08044	1.6
135.11662	100.0
139.07549	1.1
139.11160	0.8
143.07069	0.8
149.13208	11.1
151.11119	1.0
153.12720	54.3
159.11642	9.1
171.13712	6.9
172.14522	0.7
177.12697	14.6
195.13750	23.2
213.14806	43.0
231.15858	58.7
248.12688	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	410.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.8
57.03421	5.7
61.02890	1.3
67.05483	6.9
69.03404	6.3
69.07059	10.2
70.36100	1.1
71.04971	5.6
79.05476	8.4
81.07032	18.4
83.04954	6.9
83.08606	2.6
85.02876	17.0
85.06526	100.0
91.05453	2.0
93.07018	36.3
95.08584	26.8
97.02860	5.2
97.06499	14.8
97.10160	1.4
99.08077	10.9
103.29787	1.2
105.06995	2.8
107.08576	21.8
109.02899	1.5
109.10130	2.1
111.08066	5.8
111.11707	2.3
113.94604	1.1
119.08571	7.4
121.10117	84.3
123.08075	1.9
124.17265	1.0
125.06009	1.4
129.05489	2.7
135.11682	1.6
138.52808	1.1
139.11151	24.4
144.31541	1.4
147.11797	1.4
149.13237	24.7
157.12251	13.2
159.11707	1.9
167.14348	8.7
177.12698	15.5
180.27501	1.2
195.13760	24.7
202.81027	1.2
213.14807	55.0
216.18600	1.3
231.15851	49.0
280.19397	1.2
317.97293	1.2
416.52518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.7
53.03939	4.6
55.01863	0.6
55.05531	0.3
57.03428	10.0
59.04982	1.7
59.96260	0.4
61.02902	1.4
67.05467	0.5
69.03416	25.4
71.04997	0.4
73.02901	0.9
73.56688	0.4
75.04458	2.0
79.05498	0.7
81.03401	100.0
81.07047	1.7
83.04976	0.6
85.02890	17.7
87.04454	15.2
92.08665	0.4
95.04941	9.7
97.02871	16.5
99.04450	0.6
103.03908	0.6
109.02856	0.5
109.06522	1.8
110.06938	0.4
111.04424	1.0
115.03906	16.6
119.04990	0.4
121.02844	0.9
123.04406	14.3
127.03889	0.5
133.04938	14.1
137.05907	0.8
144.63469	0.5
145.04984	0.5
147.04401	0.7
149.05992	0.6
150.07617	3.1
151.03876	0.4
163.03889	0.8
163.23434	0.4
177.05441	0.6
195.06464	0.6
195.10283	0.9
211.09421	0.5
213.07617	2.7
216.01163	0.4
420.44150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22098	1.1
55.01859	1.3
55.05495	6.1
57.03427	3.0
57.82903	1.1
65.03909	1.3
65.99290	1.0
67.05492	29.6
69.03414	8.9
69.07050	6.9
71.04975	37.6
79.05470	18.3
81.03376	5.1
81.07036	43.5
83.04953	2.1
83.08607	5.3
85.02882	25.1
85.06523	25.3
87.04437	1.8
91.05444	15.3
93.07017	47.1
95.04936	2.4
95.08577	51.8
97.02877	4.7
97.06497	16.3
98.97562	1.5
99.08057	5.2
105.07024	9.9
107.08564	20.4
109.02898	1.6
109.06495	2.9
109.10144	5.0
111.08064	7.0
111.08747	1.4
113.09606	7.6
117.06987	18.3
119.08529	7.2
121.06488	7.0
121.10103	8.2
123.11676	1.5
127.03863	2.3
131.08537	20.6
131.10617	1.6
133.10110	24.6
133.22462	1.3
135.08035	10.6
135.11664	53.4
137.05858	2.0
139.07486	2.7
147.11668	2.2
149.09610	3.2
149.13245	19.1
153.09087	1.9
153.12711	1.9
159.11655	47.0
165.12717	6.0
177.12712	56.2
195.13763	37.7
213.14813	32.6
231.15865	100.0
234.07994	1.6
250.32155	1.5
410.11252	44.0
428.38495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	11.9
57.07060	3.6
62.90057	1.5
67.05488	8.2
69.07051	18.4
71.08627	1.3
79.05469	8.2
79.14891	1.4
81.07034	34.2
83.08597	9.5
91.05467	10.9
93.07018	30.5
95.08578	33.3
97.10165	2.5
105.07001	28.0
107.08578	43.6
108.50589	1.6
109.06496	2.0
109.10137	18.2
114.18775	1.5
117.07005	3.5
119.08558	32.5
121.10110	27.2
123.11674	7.9
129.06979	2.5
131.08565	10.3
133.10062	21.4
135.11673	18.0
137.13229	7.0
142.07700	1.8
143.08510	11.8
145.10094	22.9
145.75960	1.5
147.11658	29.1
149.13229	36.2
153.72255	1.5
156.09367	1.6
157.10085	12.2
158.10838	1.5
159.11624	14.5
161.13258	8.1
163.14789	32.5
169.10072	1.7
171.11646	11.6
173.13266	10.8
175.14824	10.5
177.16444	7.8
185.13225	9.1
187.14757	12.8
189.16350	14.6
197.13120	2.7
199.14838	3.5
201.16420	7.7
203.17941	7.7
213.16438	3.6
215.17908	19.7
219.83266	1.8
227.17953	7.4
228.18718	2.1
229.19554	9.9
239.18016	1.9
241.19499	10.4
243.21085	3.6
253.19519	2.1
255.21063	27.1
259.20413	2.1
267.21112	3.2
269.22601	13.0
285.22150	10.4
295.24127	2.1
298.37064	1.6
391.33682	9.9
409.34592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.8
57.07053	13.6
67.05481	32.3
69.07053	21.6
70.84644	3.2
79.05466	20.2
81.07038	63.2
83.08595	6.8
85.76039	3.1
91.05463	19.6
92.09080	7.6
93.07033	46.1
95.04943	6.3
95.08586	100.0
97.10114	4.0
105.07019	42.7
105.50505	3.3
107.08575	63.0
109.06503	4.7
109.10146	39.1
117.07006	3.9
119.08556	96.6
121.06509	4.6
121.10107	40.9
123.11687	20.6
129.06976	6.3
131.08530	21.5
133.10104	60.8
135.08057	4.2
135.11647	33.7
137.13245	15.3
143.08540	16.2
144.09329	3.3
145.06551	4.8
145.10097	77.8
147.08029	25.6
147.11656	23.7
149.13274	21.3
155.08536	5.0
156.09261	6.1
157.10127	27.2
159.07993	6.9
159.11673	69.5
160.08812	4.6
161.13231	21.0
163.14813	8.6
169.10046	8.3
171.08086	5.7
171.11661	22.8
173.13234	76.0
175.14803	4.0
181.09940	3.9
183.11687	8.1
185.13223	19.1
187.14827	19.9
189.12689	59.2
189.16389	16.4
191.17926	4.4
199.14790	22.7
201.16434	5.8
203.14384	5.5
203.17934	6.7
213.16403	6.6
215.17892	4.3
225.16260	4.0
229.15843	14.1
229.19547	7.2
230.16966	3.7
255.20966	4.4
391.29407	8.0
391.33548	15.9
409.30258	28.4
409.34717	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57728	0.6
52.42475	0.7
55.05505	6.0
57.07066	1.7
62.19200	0.7
64.89595	0.8
67.05483	5.4
69.07053	13.8
79.05478	7.7
81.07033	31.9
83.08603	4.5
91.05453	7.0
93.07023	25.2
95.04940	1.0
95.08588	32.6
97.06522	1.3
97.10146	1.3
105.07006	20.0
107.08575	42.3
109.10134	11.5
117.06975	1.0
119.08559	26.8
121.10126	24.4
123.11668	4.8
129.07004	3.5
130.36443	0.9
131.08534	8.7
133.10107	20.4
135.08046	0.8
135.11661	16.1
137.13188	5.7
143.08537	7.3
145.10095	16.5
147.11673	22.0
149.13229	32.0
155.08540	0.9
156.09286	1.0
157.10083	11.0
159.11662	13.8
161.13237	11.2
163.14786	38.5
169.10136	1.4
171.11644	7.8
173.13203	9.7
175.14786	7.9
177.16335	6.4
179.14273	1.2
181.34154	1.1
183.11694	1.6
185.13246	9.0
187.14749	10.3
189.16331	9.4
191.14410	0.9
197.13176	1.0
199.14795	7.0
201.16380	7.8
203.17915	13.0
211.14954	1.1
212.15698	1.0
213.16290	7.0
215.17918	15.8
226.17136	0.9
227.17818	8.0
228.18629	1.7
229.19493	9.6
231.20992	3.6
239.17914	1.7
241.19374	10.7
243.20947	5.6
253.19560	1.6
255.21017	19.4
257.22662	2.0
259.20593	4.5
267.21002	1.8
269.22614	10.7
276.56091	0.9
285.22083	15.4
295.24133	3.1
324.64301	0.9
391.33398	9.3
409.34586	100.0
410.35410	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99647	1.4
55.05496	11.5
57.07069	7.4
67.05492	23.8
69.07063	19.9
79.05474	17.9
81.06593	2.8
81.07037	49.6
82.78252	1.8
83.08586	9.6
85.07373	1.7
91.05434	16.6
92.09122	4.6
93.07022	53.4
95.08582	94.8
97.10156	2.7
105.07011	47.0
107.08575	58.4
109.10149	41.4
111.08051	3.1
117.06989	9.3
119.08561	100.0
121.10121	45.2
123.08163	2.1
123.11702	20.9
129.07047	2.3
131.08559	25.5
133.10103	72.0
135.08028	8.6
135.11685	37.6
137.09557	2.5
137.13257	17.8
143.08537	8.3
144.09332	2.8
145.10103	52.7
147.11653	25.5
149.13251	21.0
156.09331	4.2
157.10133	14.1
158.10968	3.2
159.11667	42.4
161.13246	23.6
163.14783	19.8
169.10063	2.7
171.11658	17.1
173.13217	48.2
175.14809	16.5
177.16373	3.3
179.14310	2.9
183.11707	2.7
185.13200	15.4
187.14798	28.0
189.16254	14.8
191.17950	9.2
199.14732	13.8
201.16356	23.7
203.17935	7.5
207.17456	1.9
213.16400	4.6
215.17941	3.4
217.19458	2.8
218.10655	2.0
219.20979	8.6
227.17859	3.4
229.19470	3.5
243.20966	4.1
255.20988	2.4
259.24072	2.7
269.22580	4.1
270.75912	2.5
281.84720	1.9
391.33459	13.1
409.34622	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07486	2.5
50.79716	2.9
50.86450	3.2
55.05502	15.5
57.07057	5.3
67.05489	22.7
69.07055	38.5
79.05462	17.3
81.07043	53.2
83.08597	6.1
91.05459	22.4
93.07031	48.0
95.08588	84.1
97.10146	4.1
105.07013	62.7
107.08578	71.7
109.06458	4.2
109.10172	37.2
117.06993	6.5
119.08558	67.9
121.10120	75.4
123.11678	8.3
128.83849	3.9
131.08540	27.1
133.10110	41.2
135.11679	41.3
137.13223	8.3
139.11145	5.3
143.08574	6.5
145.10069	38.4
147.11661	29.2
149.13239	16.1
157.10118	5.1
159.08061	5.1
159.11665	28.6
161.13235	25.8
163.14784	19.5
171.11557	4.5
173.13197	14.7
175.14807	22.5
177.16365	14.4
185.13272	6.7
187.14748	35.8
189.16379	39.9
191.14262	23.0
191.17917	36.5
199.14833	5.6
201.16389	20.5
203.14337	14.0
203.17967	16.7
205.15843	23.2
207.17322	5.2
215.17877	6.6
217.19403	4.8
219.17419	24.8
229.19402	4.1
241.19492	4.7
255.21121	7.8
335.16635	6.1
391.33447	17.1
408.37146	6.0
409.29773	4.3
409.34537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22343	2.1
53.29440	1.9
53.65055	1.9
53.79847	2.0
55.05505	20.1
57.07052	9.4
59.85378	2.2
67.05487	24.2
69.07049	53.0
71.08593	2.7
73.85934	2.5
79.05488	18.3
81.07044	58.2
83.08608	18.4
91.05453	27.5
93.06484	3.6
93.07024	58.2
95.04945	2.8
95.08583	95.9
97.06510	3.6
97.10139	10.5
105.07008	50.5
107.08579	96.7
109.10135	44.1
111.11687	2.4
117.07007	4.0
119.08549	74.9
121.06444	2.6
121.10119	74.0
123.11652	18.4
131.08574	22.7
133.10114	54.7
135.08015	5.4
135.11678	38.9
137.13217	4.5
139.11130	10.9
143.08513	14.9
145.10095	46.3
147.11671	42.1
148.57193	2.3
149.09615	4.5
149.13237	28.0
153.12689	5.4
157.10075	20.6
159.11679	41.5
161.13226	26.3
163.14775	58.2
163.16032	3.2
169.10194	2.7
171.11655	13.4
173.13239	21.2
175.14812	23.5
177.16336	12.5
179.14330	3.0
183.11633	2.9
185.13205	17.4
187.14835	25.7
189.16318	18.8
190.32008	2.3
191.14320	20.4
191.17902	51.7
199.14832	5.2
201.16360	20.2
203.17918	22.2
205.15768	16.4
211.14735	5.5
213.16331	4.2
215.17914	20.7
217.19418	21.1
219.17366	41.8
227.17947	10.6
229.19467	10.3
241.19458	5.6
243.20969	5.5
247.20616	4.5
253.19472	2.5
255.21011	24.2
257.22601	8.5
260.31812	2.4
269.22656	11.0
281.22787	2.8
285.22049	9.2
295.24054	5.0
391.33456	28.1
409.34628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73676	2.2
53.71901	2.2
54.81961	3.4
55.05505	11.9
57.07069	3.0
67.05492	16.5
69.07051	24.0
79.05473	14.0
81.07048	46.1
83.08594	5.8
91.05492	19.7
93.07018	48.8
95.08586	68.9
104.08869	2.8
105.07032	34.8
105.48235	2.9
107.08575	62.7
109.10135	27.3
114.48785	2.4
117.07032	4.4
119.08546	41.8
121.10126	46.9
123.11686	13.3
129.06978	5.6
131.08556	15.0
133.10085	38.8
135.11696	30.8
137.13184	3.6
143.08565	15.3
145.10115	33.6
147.11667	30.0
149.13248	40.3
157.10068	19.7
159.11650	26.4
161.13246	17.4
163.14786	58.9
169.10074	3.7
171.11694	17.5
173.13185	22.3
175.14784	6.2
177.16412	6.0
185.13258	12.3
187.14755	20.0
189.16331	10.4
191.17882	4.4
197.13383	2.7
199.14810	14.2
201.16400	15.9
203.17964	12.4
213.16350	6.7
215.17929	15.0
225.16591	3.0
227.17924	15.4
229.19502	14.3
229.72255	2.6
241.19466	13.7
255.20998	34.6
257.22601	5.5
269.22577	17.1
285.22159	13.3
391.33655	11.8
409.34805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	19.4
57.07069	38.3
57.70184	2.0
59.89255	1.6
59.89644	1.9
67.05487	24.7
69.07054	32.0
71.05000	1.9
79.05462	17.8
81.07036	75.6
83.08612	10.8
86.97540	1.8
91.05467	23.3
92.09220	5.3
93.07024	48.7
95.04942	3.2
95.08586	100.0
97.10178	3.0
100.28383	2.2
105.03362	24.4
105.07020	48.8
107.08576	75.7
109.10140	48.6
111.08009	2.9
111.11682	3.2
117.07015	11.1
119.08562	88.5
121.05701	2.0
121.10127	52.4
123.08032	4.0
123.11665	22.3
129.07008	4.9
131.08528	22.5
133.10106	46.5
135.08026	9.1
135.11670	36.6
137.13231	16.4
142.07788	2.9
143.08542	11.5
145.10115	65.5
147.11700	25.8
148.03873	2.4
149.05997	25.9
149.13205	16.9
156.09315	4.6
157.10057	19.9
158.10907	4.7
159.11676	54.4
161.13203	23.4
163.14816	20.7
169.10110	4.6
171.11665	14.3
173.13242	52.5
175.11104	2.1
175.14850	8.5
177.16406	10.0
179.14253	2.7
183.11697	3.8
185.13222	14.0
187.14764	33.8
189.16367	17.1
191.17938	12.2
199.14838	11.5
201.16385	26.5
203.17967	10.1
205.15840	3.4
207.17441	2.3
211.14755	3.1
213.16402	10.8
215.17950	5.4
217.19412	2.8
219.17349	2.3
219.43835	2.3
224.13957	2.4
229.19550	9.4
241.19400	4.2
243.21071	3.2
255.20967	8.8
269.22668	3.1
308.19559	12.1
369.06265	3.2
374.24207	5.1
386.91647	2.3
387.07404	3.4
391.33545	28.1
392.25406	14.1
409.29761	3.2
409.34631	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	1.1
53.69375	1.0
54.13261	1.0
54.82360	1.3
55.05494	8.1
57.07064	1.8
59.97361	1.4
67.05498	5.8
69.07050	13.5
79.05471	5.7
81.07030	16.0
82.96972	1.3
83.04953	1.3
83.08605	2.8
91.05460	5.3
92.09356	3.3
93.07022	16.8
95.04968	1.5
95.08579	18.3
97.06597	1.4
97.10148	1.9
105.07001	10.1
107.08570	24.2
109.10135	12.2
117.06914	2.2
119.08550	15.3
121.10090	12.7
123.11685	5.6
129.07013	2.2
131.08549	8.9
133.10101	9.8
133.90601	1.3
135.08017	2.7
135.11630	9.5
142.07753	1.3
143.08582	3.1
145.10107	9.0
147.08034	2.3
147.11667	5.5
149.09610	5.8
149.13205	12.6
157.10115	7.3
159.08011	33.3
159.11652	7.2
161.09581	8.3
161.13264	2.4
163.14758	8.6
171.08032	7.1
171.11681	6.6
172.08765	1.5
173.09605	8.2
173.13324	2.4
175.14915	1.5
175.70659	1.5
183.11769	1.6
185.09579	19.8
185.13251	3.1
187.11127	3.2
187.14827	3.1
189.16357	2.0
192.15048	1.5
197.09404	1.7
199.11177	12.0
199.14893	2.5
201.16396	2.8
203.17961	2.1
211.11130	1.8
212.12056	1.4
213.12766	2.3
215.17876	2.6
222.89848	1.3
229.19376	1.8
237.16255	1.5
241.15788	3.0
241.19531	3.2
243.21130	2.0
255.17392	100.0
255.21146	2.9
257.18948	1.9
269.18912	5.8
269.22546	5.4
323.23813	1.7
391.33740	1.9
409.30322	45.3
409.34824	13.3
434.72809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34940	1.6
54.06205	1.6
55.05256	1.4
55.05497	13.5
57.07063	3.6
63.11556	2.0
67.05491	18.3
69.07065	23.0
79.05474	21.7
81.07044	43.7
83.08619	8.2
91.05470	17.4
92.05039	1.8
93.07028	44.8
95.04989	2.8
95.08595	53.4
97.06523	2.6
97.10156	4.2
105.07018	43.5
107.08579	67.2
109.06535	2.9
109.10148	31.3
117.07013	8.1
119.08566	49.6
121.10130	41.2
123.11691	10.1
129.07030	2.2
131.08534	23.9
133.10103	44.5
135.11681	23.6
137.13315	6.5
139.11134	3.0
141.84163	1.9
142.07771	2.9
143.08559	15.7
145.10106	34.6
147.11656	25.6
149.13240	15.8
156.09250	3.1
157.10110	15.4
159.11670	29.7
161.13235	20.8
163.14789	31.1
169.10103	2.9
171.11688	23.8
173.13254	20.1
175.14732	14.5
177.16356	4.3
179.14247	2.3
181.15904	2.7
183.11662	2.9
185.13210	18.7
187.14793	19.0
189.16359	16.4
191.17963	4.4
197.13255	10.1
198.13951	2.3
199.14854	15.8
201.16354	17.7
203.17845	6.6
211.14871	4.6
212.15698	4.3
213.16362	11.7
215.18114	13.6
217.19525	2.6
219.17342	2.4
226.17159	4.5
227.17903	7.2
229.19507	10.2
241.19478	100.0
243.21017	3.3
253.19324	2.9
255.21048	12.6
265.73538	2.0
269.22556	7.9
295.24066	3.4
391.33609	12.9
409.34790	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.7
55.05509	24.5
57.07071	9.6
59.87364	3.8
64.13166	3.8
67.05490	44.7
69.07045	25.4
79.05484	33.1
81.07045	78.3
91.05477	57.5
93.07025	78.5
95.04944	40.6
95.08585	78.3
97.06483	6.8
105.07025	100.0
107.08570	64.8
109.06523	12.4
109.10140	24.8
117.06974	21.6
119.08578	92.9
121.06515	8.6
121.10111	55.3
123.08070	21.6
123.11703	19.7
130.07784	9.1
131.08559	42.5
133.10100	37.4
135.08073	8.3
135.11716	26.4
142.07767	5.5
143.08554	33.8
145.10117	59.7
147.08063	20.6
147.11664	34.6
149.13275	19.7
151.07567	12.2
155.08528	9.2
156.09355	7.9
157.10080	35.2
158.10840	4.9
159.08067	5.5
159.11649	37.4
161.09616	6.8
161.13234	10.3
163.14813	21.3
165.09149	20.4
165.12863	5.7
169.10118	8.8
171.11661	11.5
173.13234	21.8
175.14932	6.0
183.11749	8.2
185.13185	11.4
187.14803	18.2
189.16270	6.7
199.14825	9.4
201.16342	7.9
215.17921	10.1
221.15361	38.4
239.30803	5.4
269.22723	6.0
391.33752	11.8
400.12326	5.3
402.19260	7.4
409.26846	11.3
409.34998	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12435	2.9
53.03924	3.4
55.05496	19.3
57.07056	6.2
65.03920	4.9
67.05489	36.3
69.03404	3.9
69.07049	22.7
69.36948	3.8
71.08585	4.6
79.05470	31.4
81.07049	65.6
83.04951	6.0
83.08595	3.5
91.05465	45.5
93.07025	73.7
95.04951	35.6
95.08582	70.1
97.06493	14.0
97.10223	4.0
105.07015	100.0
107.08574	56.3
109.06512	21.9
109.10178	30.2
117.07006	15.7
119.08553	73.8
120.09364	4.7
121.06467	16.1
121.10115	25.9
123.08059	14.4
123.11709	7.7
128.06244	4.6
129.06952	7.3
130.07730	6.5
131.08498	32.6
132.82671	4.1
133.06346	5.0
133.10121	40.8
133.80986	4.5
135.08015	8.3
135.11691	8.1
137.09590	5.2
141.06905	6.3
142.07745	9.1
142.74652	3.7
143.08571	28.7
144.09317	5.2
145.10089	49.7
147.07999	5.6
147.11630	29.5
148.05920	3.9
149.13234	17.9
151.07513	9.1
152.29298	4.0
155.08519	5.2
156.09366	5.5
157.10120	29.4
158.10886	4.1
159.08034	5.3
159.11679	31.6
161.09592	5.5
161.13251	18.1
163.14833	6.8
165.09097	7.1
169.10083	16.1
171.11668	15.6
173.13228	9.1
175.11101	18.4
175.14807	8.9
177.16373	8.7
181.10226	4.3
183.11708	9.3
187.11177	4.5
187.14751	16.3
189.12634	4.9
189.16429	4.1
193.10098	4.1
195.11682	7.6
199.14815	4.7
201.16373	9.1
203.14304	4.9
213.16318	6.2
221.15312	23.9
239.18106	4.1
241.91354	3.7
287.57291	4.0
391.33557	16.8
409.27094	7.6
409.34644	38.7
432.97122	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	409.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.1
53.03937	0.8
55.01859	1.3
55.05493	7.0
57.03418	1.3
61.02909	1.1
65.18804	0.9
67.05491	9.2
69.03413	15.8
69.07045	5.2
71.04971	11.5
71.99385	0.8
77.00340	0.9
79.05464	5.4
79.53874	0.8
81.03410	1.2
81.07031	12.7
83.04980	3.5
83.08604	1.5
84.32071	0.7
85.02889	8.4
85.06519	6.4
86.09683	1.0
87.04478	1.3
91.05452	12.5
93.07011	14.1
94.07367	0.9
95.04951	5.7
95.08569	9.4
97.02872	1.1
97.06489	4.8
97.10163	0.8
99.04450	1.1
99.08069	1.3
100.10478	0.7
105.03344	1.0
105.06992	11.5
107.04907	1.9
107.08559	10.7
109.06503	3.8
109.10133	10.3
110.10441	0.8
111.04422	3.3
111.08063	4.9
113.05965	1.3
117.06978	1.3
119.08565	14.5
120.08094	1.0
120.08901	1.7
121.10157	5.8
122.10498	1.0
123.08056	1.3
123.11652	0.9
125.05949	1.0
125.09607	17.4
127.03896	1.2
127.07582	1.0
129.05449	4.5
129.06912	0.9
131.08551	3.3
132.08778	0.7
133.10097	12.5
135.08096	0.9
135.11668	5.1
137.05948	1.8
137.09587	32.3
137.10573	1.7
138.09898	7.3
138.94798	0.8
145.02783	1.7
145.04929	0.8
145.10081	1.1
147.04475	1.0
147.08089	1.1
147.11647	7.0
148.12003	0.9
151.11176	5.0
153.12801	1.0
155.07037	2.0
165.12680	1.8
167.07007	0.9
167.10698	0.8
167.40826	0.8
169.12196	1.9
175.11163	5.4
175.14796	1.9
177.05405	1.8
185.01039	0.8
185.04156	1.6
193.12250	7.6
193.15851	4.0
194.12502	1.2
211.13251	30.0
211.16916	4.0
212.13637	7.5
224.62918	0.9
229.14337	7.5
233.07791	1.5
246.04997	1.9
247.05727	7.8
247.15366	4.7
257.13257	0.9
298.13318	0.9
346.31796	0.8
409.10953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95475	2.7
53.03939	3.0
55.05508	31.4
57.07063	6.5
59.04982	3.3
59.76099	3.3
67.05486	36.0
69.03420	6.6
69.07043	33.3
74.78497	2.9
75.21766	3.0
79.05477	41.5
81.07032	75.8
83.04963	4.5
83.08610	6.5
85.06499	4.2
87.46758	2.9
91.05465	46.4
93.07020	68.9
95.04949	51.2
95.08584	82.7
97.06499	17.4
97.10152	4.4
105.07009	100.0
107.08582	64.6
109.06496	16.8
109.10130	37.2
115.05384	3.5
117.07011	20.0
119.08559	88.1
121.06485	18.6
121.10122	47.5
123.08031	18.1
123.11676	8.1
128.06160	13.1
129.06992	16.4
130.07738	6.2
131.08546	46.3
133.06332	3.7
133.10124	38.0
135.08073	12.0
135.11665	19.6
137.13208	4.9
139.11162	5.0
141.06953	3.9
142.07776	22.3
143.08548	31.7
144.09315	3.6
145.10092	79.0
147.08040	6.3
147.11656	30.6
149.09662	6.3
149.13251	7.7
151.07526	19.5
155.08546	14.0
156.09305	7.7
157.10100	41.5
159.08076	5.7
159.11656	52.1
161.09622	4.4
161.13251	19.8
163.11188	4.6
163.14799	8.3
165.09091	13.5
167.08478	4.5
169.10098	15.1
170.10912	4.2
171.11655	19.4
173.13251	19.7
175.11220	6.2
175.14735	5.8
177.16362	5.7
181.10181	5.8
183.11642	16.3
183.72557	3.5
185.13220	16.7
187.11072	3.9
187.14796	21.7
189.12836	4.3
189.16344	13.2
195.11607	4.5
197.13237	5.0
201.16315	24.6
203.14259	12.2
213.16429	6.2
215.17909	7.1
221.15340	36.9
229.19516	3.4
241.19475	5.0
253.15758	3.7
255.20844	3.4
283.24326	4.4
382.35913	3.5
391.33621	12.7
409.27304	21.4
409.34671	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28997	2.5
55.01854	2.4
55.05489	5.8
67.05490	11.4
69.07035	3.4
69.84933	2.5
79.05470	30.2
81.07026	18.4
85.06499	2.9
86.44375	2.9
87.87628	2.9
91.05445	14.5
93.07009	19.9
95.04957	4.0
95.08575	19.7
97.06502	11.2
105.07014	50.8
107.08575	82.3
109.10103	3.7
112.97433	2.7
117.06964	15.6
119.08537	21.8
121.10088	17.3
123.52618	2.9
129.06999	3.1
131.08527	51.0
133.10077	19.2
135.11684	5.4
143.08585	24.4
145.10094	88.9
147.08043	3.5
147.11641	20.1
149.09569	7.1
155.08545	4.2
157.05588	3.0
157.10133	7.6
158.07216	3.4
159.08047	3.2
159.11673	37.7
161.09590	11.7
163.11128	3.9
169.10069	5.2
171.11636	6.0
173.09579	42.9
173.13187	4.1
175.11143	5.4
177.12733	3.9
183.11644	4.1
187.11096	7.0
191.10634	19.1
200.70430	2.9
201.12741	4.1
253.19394	15.8
264.23154	3.8
271.20612	26.0
309.22107	5.4
319.20435	5.9
323.38089	3.3
337.21582	20.9
355.22598	59.1
373.23657	100.0
373.28232	5.1
391.24640	18.0
409.25580	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	409.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
57.03399	0.7
57.07061	0.6
59.04979	2.0
67.05484	0.9
69.03407	2.8
69.07043	1.2
71.04962	1.0
79.05473	1.9
81.07038	3.1
83.04948	0.4
85.02914	1.7
85.06507	1.1
86.09660	1.8
91.05455	3.4
93.07000	3.1
95.08576	2.9
97.02811	0.6
97.06512	0.8
99.08037	2.4
105.07001	3.0
107.08559	3.7
109.06509	0.6
109.10150	1.2
119.08531	3.4
121.10117	0.8
123.11730	0.6
125.09576	3.7
127.97968	0.5
133.10109	2.8
135.08029	0.7
135.11673	2.1
137.09604	1.0
146.62160	0.5
147.11639	1.1
165.12688	0.8
175.11104	0.7
175.14778	1.0
181.01694	0.5
181.04832	0.5
188.98988	0.5
193.12184	0.8
193.15816	2.5
205.09641	0.6
211.13307	1.2
211.16949	3.2
212.13612	0.8
229.14348	0.8
229.18065	0.7
233.07742	8.7
247.19092	0.6
274.56726	0.5
275.08865	1.0
299.08752	0.5
409.10947	100.0
410.11050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65848	1.5
103.59818	1.5
143.79669	1.7
217.23065	1.8
409.10956	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	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14738	0.3
53.03940	0.4
55.01844	0.3
57.03424	0.6
59.04963	0.4
60.18867	0.3
61.02905	1.7
69.03410	2.4
79.05483	0.5
81.03387	0.6
81.07056	0.3
85.02896	8.4
91.05440	2.5
93.07025	2.0
95.04951	0.5
97.02876	2.6
103.05410	1.2
105.07018	2.3
107.04961	0.8
109.02863	0.8
109.06501	1.9
115.23747	0.3
119.04923	3.7
121.06484	3.8
122.03623	2.2
123.04436	0.5
127.03922	0.8
131.12729	0.3
133.06470	2.0
137.05954	100.0
145.04967	0.7
147.04376	7.5
149.05951	8.0
151.07530	4.0
153.05432	2.1
161.05942	2.1
166.06245	1.5
167.07007	19.9
169.04922	1.5
172.43831	0.3
178.06224	0.8
179.06958	6.8
181.08565	8.9
193.08592	0.6
211.09619	58.7
262.10477	0.4
295.54840	0.4
308.78824	0.3
407.15140	0.8
408.15469	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	408.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.3
53.03918	0.5
55.01863	0.7
55.05483	2.1
57.03418	1.6
61.02897	0.3
67.05488	4.3
69.03408	3.5
69.07051	3.0
71.04974	3.1
79.05466	11.8
81.03391	0.4
81.07033	5.3
83.04942	0.6
85.02878	4.5
85.06508	3.5
86.09680	0.5
91.05455	38.6
93.07018	12.5
95.04956	2.6
95.08588	4.4
95.11183	0.3
97.02886	1.2
97.06496	7.6
99.04424	0.5
99.08065	0.4
105.07008	28.8
107.08566	4.2
109.06505	2.5
109.10120	2.0
111.08083	0.5
113.05984	1.7
115.05422	0.4
117.06980	7.0
117.07743	0.5
119.08553	100.0
120.08086	0.5
120.08910	0.3
121.10118	6.6
123.08035	1.6
123.11682	0.5
123.63102	0.3
125.06026	0.3
127.03911	0.5
127.07494	0.5
129.06985	1.0
131.08545	1.8
133.06453	0.7
133.10109	2.0
135.08028	2.3
137.09586	7.8
142.07744	1.1
145.04971	0.4
145.10130	0.6
147.08032	1.8
147.11659	33.9
149.09627	0.4
157.10062	2.2
158.40132	0.3
163.11139	0.5
165.12712	11.3
175.09875	0.4
175.11134	34.7
193.12198	41.0
207.54314	0.3
211.13243	19.9
228.42343	0.3
229.14236	1.2
287.88525	0.3
308.27518	0.3
337.71057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01876	0.5
55.05500	2.1
57.03427	0.9
58.57717	0.5
61.02906	0.6
63.98574	0.4
67.05501	9.0
69.03417	7.0
69.07054	2.9
69.93916	0.4
71.04975	6.9
75.19711	0.4
79.05466	4.2
81.03399	1.7
81.07039	7.2
83.04980	0.9
85.02888	6.7
85.06519	5.2
86.09675	0.9
87.04460	0.8
90.77161	0.4
91.05464	6.1
92.08643	0.8
93.07023	14.3
95.04951	10.9
95.08586	11.7
97.02860	2.4
97.06497	4.1
99.04430	1.1
105.03376	1.8
105.07009	8.7
106.03735	0.6
107.08582	9.3
109.02874	0.5
109.06490	3.6
109.10139	11.8
111.08073	7.5
113.06017	1.1
117.07030	0.9
119.04842	0.5
119.08565	26.4
120.08106	2.5
121.10125	6.4
122.19373	0.5
123.04414	0.6
123.08066	3.8
123.11697	1.9
125.09617	1.0
127.03906	0.7
127.07484	0.6
131.08545	0.9
133.10110	2.7
135.08041	1.0
135.11716	0.8
137.09599	100.0
141.09065	0.7
145.10103	0.5
146.06003	0.6
147.08044	0.7
147.11674	12.1
149.09537	0.6
151.11159	2.5
163.11229	0.5
165.12749	5.3
175.11140	4.8
183.13774	2.0
193.12224	13.5
211.13266	90.1
269.09103	0.5
417.14728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55327	0.3
53.03931	0.3
54.08345	0.2
54.16474	0.2
54.81799	0.3
55.01850	0.3
55.69026	0.2
57.03417	1.2
58.78243	0.2
61.02916	0.6
63.70135	0.2
69.03416	1.4
72.32825	0.3
73.73649	0.2
81.03385	0.6
85.02895	5.5
91.05458	1.8
94.42815	0.2
95.04953	0.5
97.02857	2.2
103.05446	0.3
105.07004	1.4
105.39103	0.2
107.04918	0.3
109.02852	0.4
109.06523	1.9
115.05386	0.3
119.04938	2.9
121.06476	0.5
122.03662	2.1
123.77225	0.2
127.03922	0.4
133.06487	1.8
137.05957	100.0
138.06325	0.5
145.04924	0.4
147.03304	0.5
147.04398	6.3
149.05925	0.4
151.07516	4.2
153.02361	0.3
153.05484	2.0
154.06259	1.1
161.05919	1.0
163.03893	0.4
169.04950	0.6
175.92039	0.3
178.06241	1.5
179.07011	6.7
180.08627	1.1
193.08591	0.4
203.20483	0.3
211.09625	48.7
212.09773	0.3
271.25543	0.3
316.89209	0.3
387.38727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
57.03426	3.1
57.77158	0.5
58.36451	0.5
61.00542	0.5
61.02911	1.3
61.83457	0.7
67.05481	0.7
69.03434	7.1
69.16367	0.6
73.02906	0.7
76.94431	0.6
79.05453	3.6
81.03381	0.7
81.07024	2.7
83.77412	0.6
85.02885	15.6
87.04488	1.1
91.05447	3.6
93.07025	1.0
95.04945	1.2
97.02883	5.6
99.04401	0.9
105.06986	4.8
107.04938	3.5
109.02873	1.6
109.06500	53.7
115.03885	1.4
115.05370	0.6
119.04890	3.1
119.08551	1.1
123.08022	4.0
124.07547	0.8
125.05964	1.4
127.03926	1.5
133.04944	1.0
133.06476	6.0
136.05150	0.8
137.05952	73.0
147.04359	8.4
149.02379	0.9
150.06726	1.6
151.07526	22.5
153.05447	7.3
154.06274	1.0
161.06018	2.2
162.06732	3.9
163.03851	2.2
165.09059	7.0
167.07040	1.4
169.04909	1.1
169.08560	2.5
178.06203	5.4
179.06981	10.3
193.08568	8.4
196.07291	1.0
211.09619	100.0
311.91354	0.8
408.09738	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	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
54.82040	0.8
55.05503	16.1
57.07066	7.6
65.03923	0.8
67.05491	27.1
69.07053	26.6
71.08604	1.5
74.24297	0.7
79.05478	14.3
81.07037	67.8
83.08601	12.9
86.61807	0.7
91.05456	12.8
93.07023	34.6
93.07529	1.4
95.04942	1.1
95.08583	100.0
97.10130	6.4
105.04493	0.8
105.07013	36.3
107.08575	58.5
109.10138	60.1
111.11692	1.9
117.07005	5.5
119.07701	1.9
119.08556	51.7
121.10117	47.2
123.10807	1.0
123.11678	27.7
129.06972	1.3
130.07806	1.0
131.08533	15.4
133.10103	33.4
134.55391	1.0
135.11676	27.8
137.13242	16.6
142.07800	1.0
143.08554	5.3
144.09323	3.5
145.10109	30.3
147.11667	34.5
149.13237	24.0
151.14850	3.3
155.08534	1.4
156.09279	1.0
157.10091	8.2
158.10847	1.2
159.11655	34.7
159.12926	1.5
160.12500	1.1
161.13229	27.4
163.14796	18.0
169.10182	1.1
171.11610	8.9
173.13237	17.4
175.14774	16.9
177.16370	7.9
181.10135	5.1
183.11693	1.9
185.13225	7.3
187.14767	14.8
189.16347	23.5
191.17914	17.8
197.13228	1.8
199.14803	7.7
201.16341	16.0
203.17900	17.7
205.19504	4.9
209.13197	1.5
213.16331	8.6
214.17113	1.4
215.17891	22.4
217.19478	14.9
225.16438	1.0
227.17908	5.1
229.19470	8.6
231.21056	3.3
241.19478	6.4
243.21037	8.0
245.22687	1.2
253.19347	1.7
255.20959	7.9
257.22549	17.7
267.21216	1.3
269.22574	12.4
271.24243	3.5
283.24225	4.3
297.25769	5.4
309.25809	1.6
337.28891	1.3
351.30261	1.9
407.36670	86.5
408.36856	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.0
55.54821	1.1
57.07068	8.0
67.05494	24.0
69.07055	44.9
73.07571	1.2
79.05466	8.3
81.07041	65.6
81.25072	1.5
83.08626	10.6
91.05466	10.9
93.07030	32.5
95.08585	100.0
97.10165	3.4
105.07010	38.9
107.08582	42.3
109.10150	51.7
117.06995	2.9
119.08560	42.9
121.10119	33.2
123.11691	19.0
129.06995	1.7
131.08559	16.7
133.10095	26.6
135.11655	21.6
137.13226	15.9
143.08566	10.1
144.09344	1.7
145.10106	29.5
147.11665	30.8
149.13219	19.5
155.08456	2.2
156.09351	1.7
157.10088	12.6
159.11662	24.4
161.13237	17.9
163.14781	9.5
169.10143	2.6
171.11676	12.3
172.12567	1.9
173.13251	11.6
175.14827	12.7
177.16357	6.5
183.11705	5.8
185.13240	12.0
186.13919	1.7
187.14793	16.6
189.16304	10.5
191.17918	11.4
197.13240	7.0
199.14772	14.1
201.16350	17.5
203.17908	14.9
203.87996	1.5
205.19556	2.9
211.14850	2.0
213.16437	10.4
214.17123	1.5
215.18056	9.6
217.19539	5.6
223.14728	1.4
227.17928	7.0
229.19530	9.5
241.19511	6.9
243.21028	1.4
245.22792	1.7
253.19576	1.9
255.20973	13.1
257.22586	23.8
267.21088	1.9
269.22662	9.4
271.24347	1.6
281.22781	1.7
283.24130	2.9
295.24146	2.7
297.25610	2.9
309.25800	2.8
311.27246	1.7
323.27289	2.5
407.31717	3.0
407.36740	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03360	0.1
50.16166	0.1
53.00254	0.2
54.13520	0.1
55.01859	0.3
57.03425	0.2
61.02890	0.7
69.03413	1.2
70.06623	0.2
78.04722	0.3
79.05462	0.7
80.63416	0.1
81.03380	0.9
85.02880	3.9
87.04447	0.3
91.03970	0.2
91.05470	0.4
93.07005	1.0
97.02835	1.3
103.05432	0.4
105.07052	0.6
106.04151	0.6
107.04924	1.0
109.02869	0.2
121.06496	1.4
123.04357	1.9
124.05174	1.1
125.05953	0.2
127.03899	0.3
133.06447	0.4
137.05908	1.6
145.04898	0.2
149.05978	2.3
151.03809	0.3
151.07443	0.2
152.04678	1.0
161.05928	0.9
166.06245	0.2
167.06999	100.0
168.07343	0.4
180.08691	0.3
181.08546	2.5
190.64957	0.2
193.08575	2.3
211.07610	0.3
211.09615	7.7
229.10672	6.8
283.03088	0.2
305.58148	0.2
353.38788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57383	0.9
53.03938	1.1
55.05506	16.0
57.07072	7.9
58.36112	1.0
67.05496	31.3
69.06707	1.8
69.07054	30.4
71.08604	1.1
79.05484	19.7
81.07043	70.2
83.08608	12.5
91.05457	13.7
93.07028	42.8
95.08590	100.0
97.10153	5.0
105.07018	41.8
107.07858	2.0
107.08582	58.6
109.06499	1.2
109.10146	62.0
111.11703	2.5
116.46943	1.1
117.07001	6.9
119.08557	55.2
121.10124	49.5
121.10976	2.1
123.11689	29.4
128.54327	1.0
129.07033	2.0
131.08545	13.7
133.10107	36.6
133.11026	1.9
135.11678	32.4
137.13248	14.8
143.08543	6.6
144.09312	2.0
145.10118	29.3
147.11664	31.1
149.13243	20.2
151.14873	1.3
156.09395	1.2
157.10074	9.5
159.11670	34.2
161.13222	30.8
163.14772	17.1
169.10132	1.2
171.11690	6.6
173.13228	17.4
175.14769	15.3
177.16400	6.7
183.11743	2.3
185.13232	7.8
187.14815	16.1
189.16350	25.0
191.17894	16.8
195.11781	1.2
197.13306	1.2
199.14827	9.1
201.16353	12.4
203.17938	21.7
205.19585	4.4
211.14923	1.8
213.16393	8.2
215.17914	23.4
217.19504	13.7
222.05168	1.1
227.17899	6.0
229.19443	7.4
231.21095	4.3
241.19334	4.1
243.20964	7.5
245.22601	2.0
253.19492	4.3
255.20987	9.5
257.22617	16.0
269.22531	10.9
271.24139	1.5
275.02609	1.1
283.24185	2.5
295.24207	1.6
297.25809	5.0
305.53174	1.1
309.25775	1.3
323.27335	1.4
336.65417	1.1
351.30283	1.8
365.32120	1.5
407.36703	90.4
408.37100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.00304	0.8
53.03941	0.7
54.70411	0.7
55.05505	15.3
57.07067	7.5
65.03923	0.9
65.40341	0.6
67.05491	26.5
69.07053	33.5
73.13608	0.5
79.05463	14.3
81.07038	69.9
83.08604	12.3
91.05454	13.7
93.07023	40.9
95.04957	1.2
95.08585	100.0
97.10129	5.8
105.07012	40.7
107.08576	60.2
109.06514	1.0
109.10140	58.5
111.11736	1.6
113.00015	3.1
117.06987	5.9
119.08558	54.3
121.10118	47.0
123.11675	21.2
129.06969	2.5
131.08534	15.6
133.10104	31.3
135.11668	28.3
137.13231	14.2
141.40262	0.8
142.07822	1.4
143.08522	9.1
144.09346	1.2
145.10104	31.8
145.11200	1.1
147.11673	27.4
149.13254	19.8
149.14377	0.8
151.14812	4.7
151.84329	0.7
155.08586	2.8
156.09312	1.5
157.10097	14.7
157.11305	0.7
159.11668	33.4
160.12405	1.2
161.13220	27.6
161.14517	1.1
163.14799	16.6
169.02626	1.5
169.10110	2.5
170.10872	0.7
171.11671	11.3
172.12471	1.0
173.13220	18.2
174.14114	0.8
175.14799	16.8
175.16316	0.8
177.16318	9.1
177.17456	0.6
183.11708	3.3
185.13226	9.2
186.14099	0.9
187.14787	21.4
189.16347	20.2
189.17924	1.0
191.17896	17.0
197.13289	3.9
199.14781	7.3
201.16341	15.7
203.14259	1.0
203.17883	18.2
205.19585	3.8
207.33659	0.7
211.14815	3.4
213.16364	6.3
214.17159	0.8
215.17909	19.1
217.19507	13.3
225.16397	0.8
227.17950	7.2
229.19460	8.0
231.21095	2.9
237.16414	0.9
239.18007	3.0
241.19493	5.9
243.21017	7.2
245.22681	3.0
253.19511	3.8
255.21060	5.9
257.22559	14.7
259.24280	1.0
267.21033	0.9
269.22614	9.2
271.24136	1.2
281.22568	1.4
283.24225	3.4
295.24200	1.1
297.25961	3.6
309.25607	0.9
311.27341	0.9
323.27237	1.2
337.28928	1.4
351.30453	1.4
365.32101	1.1
389.32025	2.6
407.36792	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	407.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	3.4
55.05491	26.8
56.08300	2.6
57.07066	29.2
64.33787	3.4
67.05495	23.5
69.03411	26.9
69.07058	31.8
71.08610	22.1
79.05479	7.9
81.07035	40.5
83.08593	15.5
85.10178	7.9
91.05458	7.5
92.08676	15.5
92.09307	13.2
93.07016	15.4
94.20292	3.3
95.04964	13.5
95.08595	33.1
97.06490	5.5
97.10153	5.4
97.79995	3.2
105.07036	5.3
107.08595	6.1
109.06494	5.9
109.10112	21.9
111.11691	5.3
119.08558	12.3
121.10149	4.4
123.04413	42.4
123.08031	7.3
123.11662	5.0
123.58734	3.8
125.05970	13.7
133.10210	3.8
135.11681	15.9
137.05977	6.8
137.09651	5.1
139.07613	5.3
141.05450	14.0
143.07054	5.1
147.11623	6.5
149.13179	3.3
151.07564	6.0
151.11177	12.5
161.13261	4.1
165.09077	14.3
193.12303	4.5
207.13832	4.3
343.45593	3.7
356.49924	3.6
370.60382	3.7
389.34073	33.2
407.35117	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	407.3516
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05507	18.4
55.05714	2.0
57.07063	26.5
67.05494	19.0
69.03420	27.0
69.07040	21.1
71.08617	20.4
79.05458	10.3
81.07040	39.5
83.08611	19.3
85.10155	5.3
91.05448	3.8
93.06994	13.5
95.04929	5.2
95.08569	32.5
97.06528	3.5
97.10126	10.2
105.06997	15.0
107.08565	9.3
109.06487	9.2
109.10138	19.8
111.11742	2.3
115.99794	2.1
119.08564	9.4
121.10102	10.1
123.04397	37.1
123.07980	4.7
123.11694	9.0
125.05995	18.8
126.21152	2.4
130.61380	2.6
133.10103	9.2
135.11626	2.6
137.05931	12.9
137.09589	3.9
141.05444	9.7
147.11638	9.0
149.13097	2.4
151.07480	10.0
151.11119	5.4
155.06979	3.3
161.13200	3.7
165.09064	9.7
165.12738	4.1
173.55206	2.2
179.10637	9.5
193.12244	3.7
232.27568	2.3
235.16595	2.6
290.14658	2.5
389.34055	32.1
407.35123	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	407.3516
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
50.12869	1.9
55.07946	2.2
57.07072	4.2
59.88558	2.0
60.81608	2.5
65.03930	3.4
65.87103	2.1
67.05502	29.0
69.07053	4.8
69.39818	2.3
71.04975	2.7
75.92731	2.4
81.07056	4.6
83.08605	5.3
92.64054	2.6
95.04945	17.0
95.08597	2.5
99.04441	9.6
113.05970	4.1
123.04423	18.5
125.05984	9.9
141.05443	100.0
164.51534	2.2
247.82487	2.7
371.26447	3.0
389.34088	5.0
407.35159	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	51.2
57.06848	5.2
57.07070	71.1
59.90923	3.5
65.81819	3.5
67.02377	3.8
67.05505	34.3
69.07056	90.8
70.87266	3.9
71.08617	35.8
74.75873	3.8
79.05466	33.1
79.66254	4.4
81.06658	5.4
81.07040	80.6
83.08591	52.5
85.10175	8.1
89.16993	3.9
89.17560	4.4
89.70137	4.4
91.05439	11.2
93.07005	30.3
95.08588	66.1
97.06499	8.4
97.10138	30.2
105.06991	18.4
107.08556	36.4
109.06483	22.9
109.10136	50.4
111.04424	29.3
111.11695	7.5
119.08537	20.7
121.10123	28.8
123.04386	6.9
123.08057	18.4
123.11693	17.8
125.05977	67.4
131.08580	5.7
133.10098	18.9
135.11650	18.5
137.05969	100.0
137.09579	20.3
141.05420	9.6
147.11710	7.7
149.13280	5.5
151.07506	25.1
151.11203	6.9
151.14818	4.8
161.13199	4.8
165.09088	29.4
175.11337	5.9
179.10677	19.7
193.12231	23.4
207.13806	7.7
221.15356	9.2
226.23885	4.7
235.16826	9.4
262.76703	5.5
263.20035	8.6
277.21658	19.3
281.21017	5.5
283.24365	5.1
291.23035	7.9
305.24869	7.0
386.87317	4.7
389.33865	47.5
407.35175	47.7
421.07126	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	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78518	1.9
55.05505	5.2
55.88237	1.7
60.38826	2.4
60.51462	2.0
64.36086	2.1
67.05487	9.3
69.07045	9.6
79.05459	10.0
81.07038	21.7
83.08598	2.6
91.05454	11.0
92.08614	4.6
93.07008	20.9
95.08563	22.6
97.10146	3.8
105.07010	22.1
107.08582	37.5
109.10126	15.3
111.08078	3.4
119.08564	31.6
121.10127	17.5
123.11700	4.4
129.06998	4.9
131.08560	29.9
133.10092	15.4
135.11665	12.1
142.07753	4.1
143.08525	17.6
145.10100	57.1
147.11668	10.2
149.13188	3.8
155.08504	15.9
156.09357	3.3
157.10085	33.7
158.10811	4.2
159.11655	13.9
161.13179	5.5
163.14781	3.8
165.12949	2.1
169.10118	14.4
171.11700	12.7
172.12383	3.8
173.13219	15.3
175.14737	4.0
177.16261	3.5
181.09999	2.7
183.11667	14.3
185.13202	15.5
187.14784	100.0
189.16275	3.2
195.11624	3.4
199.14812	9.3
201.16336	9.7
211.14818	3.4
213.16309	5.4
215.17836	3.5
227.17958	16.3
237.16241	3.7
241.19312	3.4
251.17856	2.6
253.19438	9.5
293.22769	4.5
293.26624	2.2
322.74203	2.3
389.26828	4.5
389.31821	16.4
407.27939	3.1
407.33041	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.5
57.07072	12.4
58.56923	0.6
62.46075	0.6
65.03936	0.7
67.05498	7.9
69.06669	0.7
69.07056	29.4
71.08627	10.4
79.05479	3.1
81.07043	33.9
83.08608	4.3
91.05468	3.5
93.07029	9.9
93.34555	0.7
95.08593	40.4
97.10120	1.6
100.22919	0.7
105.07020	13.6
107.08582	13.9
109.10145	15.3
111.11729	4.6
113.13260	0.8
117.06989	1.4
119.08563	8.0
121.02828	5.1
121.10123	8.9
123.11684	7.3
128.62701	0.8
129.12759	1.7
131.08543	9.8
133.10107	9.2
135.11691	6.4
137.13234	17.2
143.08557	1.2
145.10130	8.4
147.11649	6.3
149.02332	100.0
149.13210	4.8
157.10139	4.0
159.11652	5.6
161.13260	2.8
163.14824	2.8
167.03366	6.4
171.11664	2.6
173.13220	8.2
175.14819	3.3
175.26517	0.7
177.16309	1.0
185.13264	3.3
187.14771	3.0
189.06105	0.7
189.16353	3.1
191.17862	0.9
197.13075	0.9
199.14705	2.2
201.16422	5.1
201.18147	0.7
203.17920	1.0
209.58940	0.8
213.16377	1.5
215.18007	1.5
227.17778	1.1
229.19531	1.4
255.21030	1.5
257.22574	1.4
269.22446	2.8
283.24066	1.1
347.15738	0.7
407.36914	16.3
429.89441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57083	1.6
53.03950	2.2
55.01866	12.2
55.05489	9.1
56.96533	1.6
57.03407	2.1
58.82259	1.3
64.92859	1.3
67.05484	16.9
69.03395	7.8
69.07042	8.6
79.05470	35.4
81.03396	2.0
81.07029	30.7
83.04943	3.9
83.08611	3.4
85.02883	2.7
91.05461	64.2
92.09046	6.8
93.06425	2.0
93.07017	54.3
95.04929	10.3
95.08588	25.2
97.06522	4.4
98.97548	3.1
100.11285	2.6
105.03370	17.4
105.07013	100.0
107.04931	16.0
107.08581	67.6
109.06490	8.7
109.10116	16.2
111.08067	3.6
115.05389	2.5
116.06254	2.9
116.98592	2.7
117.06992	27.4
117.87350	1.6
119.08566	61.7
121.06470	11.2
121.10131	13.8
123.07984	3.3
128.06165	8.2
129.06956	20.0
130.07756	7.0
131.08540	62.6
133.06456	7.3
133.10094	41.1
135.08018	11.2
135.11671	12.7
141.06956	8.5
142.07771	10.7
143.08548	34.1
145.06456	10.6
145.10097	88.3
146.07269	1.9
147.04366	2.5
147.08026	19.6
147.11684	28.1
149.05890	6.7
149.09624	10.4
153.06920	2.1
155.08514	13.4
157.10106	35.6
158.07306	2.7
159.08018	11.9
159.11639	27.1
161.01126	3.3
161.09599	19.0
161.13217	7.7
163.11128	4.0
167.08481	3.1
169.10008	14.1
171.08072	3.1
171.11661	16.6
173.09578	30.8
173.13205	4.0
175.11128	19.4
177.09079	7.7
179.10620	2.0
180.09195	2.2
181.10110	8.7
183.11699	8.6
185.09546	8.0
185.13203	7.8
187.11194	7.7
187.14659	2.5
189.09053	3.5
189.12686	3.8
191.10643	22.6
195.11676	9.1
197.09525	2.0
197.13184	7.6
199.11131	11.5
201.12651	3.8
201.16508	2.5
203.10606	9.2
205.12198	3.5
207.11742	3.0
209.13237	4.0
211.11220	2.0
211.14804	3.6
213.12674	7.8
213.16426	1.8
215.10695	1.9
217.12186	2.6
227.10535	3.4
233.13248	4.2
243.13768	2.5
247.14740	2.4
251.17879	10.4
259.13165	1.8
263.18213	1.8
265.15768	2.1
265.19049	1.9
269.18939	11.4
287.20050	3.6
289.19443	6.4
291.21021	2.2
307.20486	10.7
309.21698	2.0
317.18936	8.5
325.21387	9.8
335.19937	34.9
343.22849	2.3
353.21039	57.7
371.17624	3.2
371.22092	78.6
389.23160	34.1
407.24280	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	407.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01856	6.3
55.05503	5.6
59.68163	1.1
60.93517	1.3
67.05485	16.1
69.03398	5.7
69.07056	3.0
79.05465	33.1
81.07030	33.5
83.04955	6.9
85.02891	1.9
85.06543	1.5
91.05452	46.6
92.08835	2.3
93.07018	31.0
95.04926	6.2
95.08590	17.0
95.31321	1.4
97.02905	1.7
97.06498	3.5
103.05430	2.6
105.07008	100.0
107.04932	7.1
107.08570	52.0
109.06480	8.1
109.10137	5.8
111.08038	1.4
117.06992	21.3
119.07700	2.7
119.08556	66.6
121.06470	9.4
121.10117	14.3
123.08062	6.4
128.06180	8.2
129.06985	16.9
130.07735	8.6
131.05067	1.3
131.08533	53.1
133.06453	7.0
133.10098	45.6
135.08018	6.4
135.11656	6.3
137.05984	1.6
141.06966	6.4
142.07750	11.3
143.08527	34.2
144.09399	2.0
145.06482	3.1
145.10100	83.2
147.08023	20.4
147.11661	26.2
147.82443	1.5
149.06012	2.5
149.09569	10.1
151.11154	5.9
154.07777	2.6
155.08575	10.7
157.10098	32.1
159.08044	6.7
159.11661	19.7
160.08812	1.9
161.09583	25.3
161.13203	2.6
163.07556	2.2
163.11131	23.4
165.09146	1.9
167.08435	2.4
168.09267	2.6
169.10059	18.4
171.08008	3.2
171.11597	12.5
173.09570	32.4
173.13199	1.8
175.11148	40.5
177.09039	3.4
181.10062	8.9
181.12213	9.7
183.11603	10.9
185.09607	7.1
185.13226	7.2
187.11154	11.7
187.14177	1.6
189.09016	6.5
189.12662	19.3
191.10637	14.4
193.10083	2.2
195.11646	8.8
197.13284	2.7
199.11090	2.8
199.14743	2.0
203.10605	7.0
207.11829	4.7
207.13777	11.2
209.13203	5.6
211.11176	1.7
211.14769	2.9
215.10593	2.5
219.11708	1.8
221.11584	5.0
228.02208	1.5
237.12630	2.2
241.15884	1.8
245.13129	1.4
247.14761	2.4
249.16336	2.0
251.14185	2.5
251.17839	15.8
265.15927	2.2
268.88135	1.5
269.18887	15.9
275.18021	2.1
287.19873	8.4
289.19385	6.0
293.18997	5.2
307.20416	7.3
309.22287	2.5
311.19693	1.8
317.18890	8.2
325.21487	2.0
335.19962	44.9
353.21008	72.4
371.22128	40.9
389.23251	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	407.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08876	1.3
54.81527	1.8
55.01865	3.8
55.05505	15.1
57.07064	1.9
59.59724	1.6
67.05490	35.0
67.40615	1.6
69.03410	2.6
69.07053	20.4
75.55972	1.8
79.05471	37.3
81.03436	2.6
81.07040	37.7
83.04982	2.1
83.08592	8.3
91.05455	47.0
93.07020	47.4
95.04913	7.6
95.08572	39.8
97.06489	3.6
97.10220	1.9
98.97574	2.1
103.05442	2.1
105.07013	100.0
107.04940	4.4
107.08577	77.8
107.19340	1.9
109.06494	3.2
109.10143	62.7
110.54548	1.9
111.04397	2.2
115.05452	2.3
116.06159	2.3
117.07008	24.8
117.41376	2.0
119.08560	57.6
121.06475	4.6
121.10103	28.6
123.08074	8.2
123.11710	4.5
128.06190	20.2
129.06961	20.4
130.07770	3.9
131.08548	44.8
133.06442	3.9
133.10112	48.5
135.08026	2.6
135.11678	18.5
141.06999	2.9
142.07761	10.1
143.08531	62.3
145.06456	7.6
145.10106	59.2
146.20604	2.3
147.08047	12.7
147.11667	28.3
149.09641	7.9
149.13240	13.2
155.08519	14.8
157.10123	29.9
159.08015	8.6
159.11679	24.2
161.09557	27.1
161.13196	16.6
163.07516	3.9
163.11177	7.8
167.08463	2.2
169.10107	10.0
171.08028	22.0
171.11638	15.3
173.09563	7.3
173.13243	9.6
175.07587	3.6
175.11172	9.4
175.14787	3.0
177.09090	4.4
177.12723	4.4
179.08574	2.9
181.10144	8.7
183.11650	4.1
185.08183	1.8
185.09595	13.7
185.13219	9.8
187.11235	4.3
187.14723	2.5
189.09099	39.5
189.12720	2.3
189.16333	3.7
191.10599	3.0
191.17941	6.9
193.10071	3.5
195.11661	4.6
197.09563	2.7
197.13315	9.8
199.11226	9.3
199.14796	2.9
201.09091	2.0
201.12764	2.0
201.16406	3.0
203.10617	3.8
203.17896	2.1
207.11674	2.6
209.09583	3.1
209.13239	4.1
211.11176	3.1
213.09140	2.1
213.16428	1.9
217.19522	9.0
219.11655	2.3
221.13223	2.3
223.11150	2.3
225.12700	3.0
227.10591	4.4
227.72813	1.7
233.13448	2.8
237.02800	6.5
237.16342	2.9
245.11804	2.1
257.22620	2.9
279.20898	2.2
289.19666	3.1
293.18921	2.6
307.20441	19.1
317.19168	4.4
325.21591	7.7
335.19980	50.7
353.21045	88.9
371.22055	72.8
389.22922	7.9
390.23380	3.6
407.36603	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	406.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04245	0.4
55.05498	1.0
56.05012	0.6
57.07064	9.4
58.06580	2.9
60.57122	0.4
62.60666	0.4
68.05006	0.7
70.06577	32.0
71.08610	3.5
72.08149	4.0
73.60812	0.5
78.28422	0.5
84.08125	4.8
85.10168	0.7
86.09694	6.8
88.07610	4.2
89.06010	3.0
94.64240	0.5
114.09139	4.0
132.10175	11.8
146.11723	13.0
176.12833	2.2
179.20999	0.4
180.71736	0.6
190.14305	1.7
212.23677	3.8
237.09067	0.4
238.25250	3.8
254.19516	0.5
256.26416	2.3
266.33194	0.5
300.28928	59.8
344.31528	24.3
406.35199	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	407.2422
Annotation	Strophanthidol
Peak:m/z	Relative Intensity
55.05490	2.5
66.52438	1.4
67.05482	13.3
79.05471	13.8
80.84212	1.5
81.07022	14.5
83.08596	2.2
91.05463	23.4
93.07028	23.9
95.04946	9.3
95.08585	19.3
97.06486	3.3
105.07011	27.1
107.04933	3.7
107.08602	15.6
109.06509	11.4
109.10163	7.9
111.04462	2.8
115.05480	2.4
116.06129	2.0
117.07013	13.2
119.08575	16.2
121.06483	6.6
121.10123	2.1
122.28895	1.6
123.08067	3.0
125.05975	31.9
128.06210	3.4
129.06990	14.3
130.07843	1.8
131.08534	31.7
133.10103	15.2
135.08044	7.0
135.11678	2.9
137.09537	2.0
139.16449	1.8
141.06979	2.8
142.07730	1.6
143.08528	21.0
145.06406	2.1
145.10100	24.2
147.08037	3.4
147.11661	3.9
151.07559	2.0
153.05437	10.8
153.06906	1.7
155.08572	9.5
156.09392	3.4
157.06505	3.4
157.10085	15.3
159.08011	7.1
159.11623	12.5
161.09615	4.0
163.11154	1.7
165.07005	2.2
167.08588	4.0
169.10136	12.3
171.08070	3.4
171.11630	13.9
173.09631	6.7
173.13318	3.3
175.07559	6.7
175.11206	2.2
177.09064	2.7
179.08495	4.0
181.10120	14.3
183.08112	3.0
183.11655	10.5
185.09578	6.7
185.13257	3.5
187.14827	1.8
189.09084	4.0
193.10080	4.1
195.11676	8.6
197.09563	2.4
197.13289	7.6
199.11142	14.7
199.14836	3.6
201.12733	2.1
209.09590	4.0
209.13222	7.4
211.14862	2.4
213.12576	2.1
217.12248	3.8
219.11662	7.0
221.13176	3.4
223.10977	1.9
227.10664	13.9
229.12250	2.3
231.13870	1.9
237.16364	2.4
241.12080	2.5
247.14877	3.6
249.16399	3.5
251.17751	2.4
289.19455	3.2
293.18866	2.6
307.20444	10.7
311.19977	6.9
317.18979	6.6
325.21503	9.4
335.19952	29.5
339.79199	1.8
353.21048	52.0
354.21564	2.6
371.22095	100.0
371.26767	3.4
372.22638	2.1
389.23233	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	406.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60058	1.2
55.01870	2.8
55.05500	6.0
59.98047	1.3
65.03916	2.1
67.05491	12.6
69.03410	3.1
69.07035	2.5
71.04953	2.2
77.31401	1.7
79.05475	21.8
81.07034	19.5
83.08627	1.8
83.24484	1.7
85.06558	1.5
87.64906	1.4
91.05454	41.8
93.07018	24.7
95.04948	3.1
95.08578	13.0
97.06507	7.0
97.10156	2.4
103.05447	3.6
103.06116	1.6
105.06367	2.9
105.07018	68.2
107.04987	2.1
107.08582	73.7
109.06497	6.0
109.10123	3.2
110.65903	1.5
115.05418	6.1
116.06190	1.9
117.07005	26.0
119.08555	25.1
121.06556	5.2
121.10105	14.9
123.07994	2.6
123.11726	2.2
128.06216	19.0
129.06984	20.4
130.07762	10.7
131.08545	45.2
133.06416	3.8
133.09184	2.1
133.10117	40.7
135.08038	3.9
135.11664	6.8
141.06894	3.6
142.07736	10.5
143.08545	73.6
145.06464	3.1
145.10106	49.4
147.08031	12.1
147.11670	11.7
149.09596	8.3
149.13232	3.1
150.18057	1.5
155.08507	6.8
157.10144	19.8
159.08035	6.5
159.11652	25.2
161.09575	46.3
165.12810	1.9
169.10098	9.5
171.08025	27.3
171.11635	3.1
173.09587	5.7
173.13232	6.1
175.07478	6.6
175.11133	17.6
177.09084	7.8
177.12671	8.1
181.10107	3.4
183.11629	2.6
185.09554	8.4
185.13234	1.7
187.11174	1.6
189.09077	92.7
191.14261	8.2
193.09985	2.6
195.11668	3.6
197.09703	1.9
199.11168	8.4
201.09065	3.8
203.10635	8.5
207.11697	2.4
209.13344	3.4
209.15382	2.1
213.09138	2.4
225.09059	2.5
227.10532	3.6
231.10088	7.0
241.12367	2.8
258.34567	1.7
275.17712	2.3
279.21014	1.7
289.19803	5.3
307.20523	13.6
317.19159	3.6
325.21658	14.6
331.00003	1.7
335.19971	21.4
353.21045	58.8
371.22122	100.0
389.23154	99.9
406.30338	2.3
407.24216	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	406.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44658	0.6
55.01861	3.4
55.05498	3.2
57.03418	0.8
57.91418	0.7
67.05496	8.2
69.03412	1.6
69.07043	3.4
71.04979	1.5
79.05476	29.2
81.07043	10.9
83.04963	1.6
83.08585	0.8
87.04430	0.9
91.05463	21.7
93.07023	20.4
95.04955	3.3
95.08587	12.0
97.06506	5.2
102.13528	0.9
105.07013	43.2
107.04932	3.9
107.08579	86.5
109.06516	5.1
109.10130	1.7
111.04398	1.5
111.08062	4.1
115.05445	0.8
115.82735	0.7
117.07001	17.6
119.08555	16.1
121.06485	4.9
121.10114	13.7
123.04420	1.5
123.08037	5.0
125.05972	1.4
128.06224	1.8
129.06982	12.8
131.08546	42.7
133.06491	1.6
133.10100	14.4
135.04404	1.0
135.08009	6.5
135.11674	1.6
137.09605	1.8
139.07524	1.5
141.07016	6.6
142.06796	0.9
142.07741	6.5
143.08545	19.8
144.09296	1.9
145.06482	1.1
145.10100	30.5
147.08012	9.6
147.11688	8.9
149.09555	10.5
155.08536	5.3
157.06541	0.9
157.10103	36.6
159.08023	3.0
159.11671	22.7
161.05908	1.2
161.09593	13.8
161.13203	0.8
163.07492	3.7
163.11159	2.0
169.10104	4.4
171.08057	4.0
171.11650	12.3
173.09543	1.2
173.13220	24.2
175.07462	3.5
175.11105	10.4
177.09102	5.1
177.12750	3.1
181.08614	0.9
181.10078	1.4
183.11697	4.4
185.09567	13.6
185.13242	1.6
187.11143	4.7
189.09073	47.1
191.10629	1.7
191.14291	6.0
195.11594	1.4
197.13219	1.7
199.14777	1.6
203.10654	26.1
205.08368	0.9
207.10013	1.4
209.13324	1.5
209.15305	2.0
211.14726	1.4
213.09113	1.6
221.11549	1.5
231.10091	12.0
249.11174	10.9
251.18192	0.9
275.17892	1.2
289.19363	1.4
293.18799	1.1
307.20383	1.4
317.18890	3.0
327.19400	0.9
335.20010	11.1
335.53940	0.9
341.74274	0.8
353.21057	29.6
371.22098	45.8
389.23145	100.0
407.24210	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01868	7.8
55.05501	1.7
57.07059	1.9
63.31008	1.1
67.05492	1.6
69.03400	5.2
69.07050	6.5
71.04962	5.3
79.05461	6.0
81.03379	1.7
81.07022	8.6
83.04966	4.2
85.02886	14.7
89.41021	1.1
91.05460	11.1
92.09250	2.3
93.07018	19.3
95.04947	5.8
95.08578	5.0
97.02865	4.4
97.06506	2.2
99.04413	1.4
105.07006	27.6
107.08575	32.5
109.02913	1.5
109.06493	10.0
109.10146	2.5
111.08024	2.4
113.06020	1.6
117.06992	7.3
119.08557	20.8
121.06466	8.9
121.10110	10.6
122.17877	1.2
123.08038	5.0
125.09553	1.2
129.06946	2.0
131.08545	19.7
133.10118	24.7
135.08026	10.1
135.11696	2.5
137.09615	1.5
145.10112	12.4
147.08051	4.9
147.11662	67.1
149.09612	15.5
149.13229	17.8
158.10909	1.7
161.09557	2.2
163.11157	6.9
163.14851	1.9
165.24739	1.2
173.13216	25.2
176.11943	4.5
179.10678	1.9
191.10628	4.6
191.14276	100.0
209.15338	53.7
223.04251	1.5
227.16383	6.9
302.17661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
54.02506	0.7
55.01888	1.3
55.05500	10.7
56.05028	1.0
57.03421	1.5
57.07053	3.5
57.27871	0.6
58.99586	1.0
59.04977	1.1
59.82673	0.7
61.02908	1.4
62.52475	0.8
64.33496	0.7
66.37580	0.7
67.05485	5.3
69.03071	1.4
69.03418	29.7
69.06721	1.0
69.07057	19.4
74.09693	1.6
75.91749	0.9
76.02213	4.3
79.05473	7.1
81.03408	1.3
81.07035	14.7
83.04967	1.9
83.08598	8.6
84.04481	4.9
85.02892	11.5
85.06528	1.5
86.99029	0.9
87.02691	0.7
87.73323	0.8
91.05463	19.4
91.78503	0.8
92.08681	1.2
92.09212	3.0
93.07043	13.1
95.04937	9.0
95.08584	11.9
97.02866	4.2
97.06493	3.2
98.09668	1.9
99.04440	3.1
99.08080	1.2
102.05517	1.2
105.07011	34.0
107.04937	1.4
107.07859	1.4
107.08578	30.9
109.02856	0.8
109.06499	5.4
109.10134	5.3
115.05450	1.0
115.07559	1.6
116.01658	5.7
116.06242	1.1
117.06979	9.7
119.08562	80.6
120.64006	0.8
121.06482	3.2
121.10124	28.6
123.08038	1.6
123.11642	2.0
125.09602	4.4
126.53255	0.8
127.03872	1.5
128.06183	0.9
129.07033	6.8
130.07745	1.9
131.08548	38.3
133.06496	0.8
133.10107	67.2
135.08037	13.3
135.11653	5.0
137.09581	4.6
143.08546	21.6
144.01120	0.9
144.09288	9.4
145.04955	1.8
145.08969	1.2
145.10107	26.1
147.11671	21.2
149.09563	3.6
149.13245	8.3
153.09093	1.4
156.08347	3.7
157.10059	0.8
158.10896	25.1
160.12473	3.7
162.02184	1.5
163.14813	3.2
167.06982	1.2
167.14211	1.0
173.13225	67.1
175.14790	100.0
191.14279	58.6
209.15332	9.7
227.16286	1.0
259.11002	10.7
322.79233	0.8
353.19421	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48007	0.8
53.03938	1.3
53.79793	0.8
55.01863	2.0
55.05265	1.3
55.05505	26.3
57.03422	5.7
57.07060	4.1
58.69188	0.8
59.04996	2.2
61.02908	2.3
62.89579	0.9
67.05495	11.9
69.03421	15.0
69.07052	9.0
71.04975	8.3
79.05478	10.1
81.03379	1.5
81.07035	27.6
83.04461	1.3
83.04961	25.7
83.08597	21.8
85.02891	23.9
85.06525	4.7
87.04449	2.2
91.05462	16.1
92.08723	2.2
92.09329	2.1
93.06480	1.7
93.07024	32.0
95.04956	14.7
95.08583	12.8
97.02879	6.7
97.06512	18.1
97.10156	3.8
99.04446	8.7
99.08031	3.5
105.07013	51.1
107.08578	37.4
109.02845	1.6
109.06498	41.2
109.10134	36.7
109.10849	1.8
111.08056	10.0
115.07555	4.2
117.07002	10.0
119.08561	19.0
121.06470	6.4
121.10131	30.1
123.08024	8.6
123.11683	13.4
125.09603	8.1
127.03883	3.6
131.08553	16.4
133.10110	70.6
135.08011	12.0
135.11673	6.6
137.09627	1.2
139.11151	1.0
143.08514	2.3
145.05019	1.3
145.10120	15.7
147.11685	18.5
149.09561	2.0
149.13245	12.3
151.11134	25.9
151.12311	1.1
153.09068	8.5
158.10875	5.1
161.09573	4.8
163.11115	12.9
163.14830	5.4
165.12730	4.7
167.14273	29.9
173.13225	29.1
175.14833	3.3
179.10654	17.2
191.10658	11.1
191.14256	21.6
199.49313	1.0
209.15335	100.0
227.16428	14.9
253.23195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01857	1.5
55.05501	7.7
57.03424	3.4
59.04993	1.3
61.02911	4.0
64.94139	0.8
67.05482	8.7
69.03417	17.6
69.06701	0.7
69.07042	7.1
71.04975	22.8
73.02898	2.0
79.05470	10.8
81.03397	5.7
81.07036	23.5
83.04949	5.7
83.08631	1.1
83.48822	0.9
85.02886	19.2
85.06523	3.5
87.04427	1.7
91.05454	29.0
91.05997	1.4
92.08624	1.8
92.09208	2.1
93.07018	66.2
95.04939	10.4
95.08587	15.3
96.53740	0.9
96.76006	0.8
97.02866	4.9
97.06504	4.3
97.10231	0.9
99.04433	15.8
105.07008	100.0
107.04955	1.3
107.08575	59.8
109.02809	1.6
109.06503	17.3
109.10136	6.9
115.05382	1.1
117.06995	15.1
118.07791	0.9
119.04887	1.0
119.08551	35.1
121.06484	27.6
121.07307	1.5
121.10127	22.3
123.08031	12.1
123.11668	6.3
127.03881	3.2
129.06946	1.5
130.07773	4.5
131.08539	24.9
133.10098	70.2
135.08025	19.0
135.11667	11.5
143.08519	5.1
144.79947	0.9
145.04945	1.6
145.10103	52.4
147.11635	6.9
149.09583	6.7
151.07530	1.7
151.11128	8.0
158.10901	4.7
161.09601	14.7
161.13252	4.3
163.11136	42.8
163.14767	20.4
173.09607	5.8
173.13208	19.8
178.82288	1.0
179.10629	59.2
191.10628	39.0
191.14268	14.1
193.12167	1.3
197.11778	1.0
204.11499	0.9
209.11694	10.3
209.15359	3.5
227.16438	1.5
249.50987	0.9
297.40137	0.8
336.22348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01862	0.6
56.96562	0.3
57.03431	2.7
57.90503	0.3
61.02905	2.2
68.69342	0.3
69.03420	6.7
71.51709	0.4
73.02903	1.4
78.04681	0.7
79.05489	0.7
81.03407	1.6
85.02887	12.8
87.04435	1.8
91.03933	0.6
91.05466	3.6
92.09076	0.4
93.07022	3.0
95.04922	1.9
97.02883	5.7
103.05444	5.1
106.04169	0.5
107.04913	2.6
109.02860	0.8
115.03874	1.8
117.03362	0.9
119.04906	0.6
121.02833	2.0
121.06467	8.9
123.04412	2.8
124.05190	0.5
127.03878	1.9
131.04913	4.3
133.02750	0.6
133.04945	2.1
134.03595	0.6
135.04375	1.5
137.05949	7.3
140.04663	2.3
145.02798	0.9
145.04935	1.8
147.04341	0.6
148.05190	1.8
149.05959	12.8
152.04674	0.9
155.07004	0.7
159.04391	4.1
163.03850	1.3
165.05391	0.8
167.06999	100.0
168.07376	0.4
170.98416	0.4
176.04768	0.5
177.05421	25.5
180.08704	0.7
181.08629	0.8
191.06984	0.9
194.05812	0.6
195.06483	0.6
203.78917	0.4
209.08043	12.8
227.09105	38.0
406.17267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.4
53.03924	0.8
54.72975	0.6
55.01867	1.1
55.05499	3.2
57.03429	40.4
59.04986	10.6
60.04504	1.7
61.02894	1.7
67.05484	1.7
69.03413	100.0
69.07043	0.8
70.05023	0.7
71.04957	1.5
73.02889	3.4
74.69685	0.7
75.04448	5.0
81.03418	7.8
81.07020	1.1
83.04964	1.9
83.08636	1.0
85.02887	72.7
87.04446	62.9
91.03894	0.9
91.05455	1.9
92.08732	0.8
93.06995	1.1
94.07345	0.9
95.04920	3.0
95.08577	3.6
97.02866	62.7
99.04424	1.9
99.08045	1.0
105.06982	3.8
107.04915	1.4
107.08596	1.8
109.02839	1.0
109.10140	1.3
115.03901	62.6
119.08568	2.1
120.08871	1.4
121.06408	1.1
121.10123	4.1
122.10441	1.1
123.08047	1.4
125.09608	0.9
127.03862	5.0
133.04935	61.9
135.08029	5.0
137.09596	1.3
139.03862	0.8
142.59314	0.8
145.04944	7.0
147.11653	3.9
149.09581	2.1
150.07587	11.1
150.09879	1.3
151.07492	1.0
151.11116	1.5
161.05885	0.8
161.13237	1.3
163.05978	2.0
165.09030	1.4
167.14337	1.6
180.08467	1.3
183.06227	0.9
189.12630	1.5
207.13835	5.0
208.14195	1.5
209.15295	4.1
225.14752	3.6
226.15215	1.6
259.08063	4.1
259.10910	1.7
268.10522	0.8
274.12869	1.3
277.09198	1.1
295.10077	1.2
377.01813	1.1
405.24200	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01855	0.3
55.05504	0.3
57.03406	0.4
57.29042	0.2
65.03919	0.2
67.05501	2.3
68.21432	0.2
69.03412	1.8
71.04968	0.3
73.02891	0.2
76.33725	0.2
79.05463	1.8
81.03396	0.9
81.07039	1.5
85.02899	2.3
91.05452	1.3
93.07013	1.2
95.04932	0.9
95.08591	1.1
97.02861	1.0
97.81935	0.2
105.07008	1.1
106.06534	0.8
107.04927	0.3
107.08572	1.1
109.02856	1.0
111.04423	0.3
115.05425	0.4
117.03352	0.3
119.08572	0.4
121.10100	0.3
122.06010	0.3
123.04419	1.3
123.08046	0.3
127.03912	0.2
128.06206	0.9
129.06972	1.0
131.07265	0.2
131.08572	0.4
133.06468	0.2
133.10112	0.4
134.06015	0.4
136.03867	0.2
136.07541	1.0
137.05975	0.2
143.08539	1.6
145.06441	0.3
145.08899	0.4
145.10066	0.7
147.04446	0.6
147.08049	0.2
149.05966	0.3
153.06981	2.5
154.07692	0.2
155.07283	0.7
155.08507	3.2
158.07245	0.3
159.11653	0.3
160.07547	0.3
160.11183	0.8
161.05992	1.7
163.11197	0.2
165.06941	0.8
167.07039	0.7
168.05777	0.2
170.09583	2.8
171.08089	1.6
173.05988	0.4
173.08305	0.3
173.09628	0.3
175.07466	0.3
175.25876	0.2
176.07036	2.2
180.08102	1.7
181.06433	2.0
183.06631	2.1
183.08156	1.5
184.05109	0.4
184.07584	0.4
186.06662	0.3
187.07561	0.8
188.07053	0.3
188.10730	0.9
198.09120	5.8
199.07547	1.9
200.07005	0.4
201.07640	1.7
202.08572	0.2
208.07516	0.2
209.06165	0.2
211.06299	0.8
212.07007	0.4
214.04996	2.0
214.08565	0.2
215.05774	0.2
216.10149	3.3
226.08620	2.8
228.06511	0.8
229.07281	1.9
244.09641	100.0
245.09949	1.1
281.11697	0.3
309.11349	0.2
341.13879	0.7
351.01010	0.2
352.19592	0.2
370.20923	0.4
406.14908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3724
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05484	4.1
57.07057	15.9
59.60085	2.2
61.65979	2.4
67.05496	19.0
69.04498	3.5
69.07042	5.0
71.08593	9.9
83.08581	3.9
85.10171	3.0
91.05450	15.0
93.07015	76.3
95.08574	40.5
98.08788	2.3
100.61882	2.3
107.08553	5.9
111.08055	37.1
121.06506	3.4
127.07536	4.9
139.07523	27.0
149.09528	2.4
153.09105	19.3
157.08559	3.7
167.10632	6.0
181.12215	5.3
195.13721	4.0
237.18430	2.5
405.37213	100.0
405.41962	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	405.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	17.2
61.85652	1.7
67.05489	16.2
69.07051	24.4
71.04989	7.4
71.08615	18.6
81.07018	8.6
83.08592	4.4
84.87112	1.9
95.08569	8.2
109.10136	71.8
117.20373	1.8
119.08538	3.1
121.02815	4.2
127.11169	67.1
127.12016	3.7
147.11700	2.3
149.02306	100.0
149.03447	4.4
167.03427	3.2
203.14255	2.0
206.95990	2.0
381.84976	2.2
398.98526	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	405.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81752	4.3
55.05499	19.0
59.20872	3.3
67.05484	37.8
69.07047	9.7
70.11910	3.4
71.04987	7.5
79.05467	57.3
81.07033	59.2
83.04960	8.4
83.08621	7.9
85.06486	3.6
91.05460	100.0
92.09351	7.3
93.07019	67.3
94.03349	3.8
95.04949	9.0
95.08585	39.3
97.06509	20.9
104.74785	4.2
105.07013	92.6
107.04961	7.4
107.08592	41.8
109.06476	24.6
109.10137	6.8
111.04424	7.3
115.05447	9.0
117.06986	56.1
119.08542	77.6
121.06496	5.4
121.10140	29.4
123.04398	6.4
125.05988	36.9
128.06177	17.1
129.06976	55.8
130.07745	5.9
131.08548	87.3
133.10085	33.4
135.08025	5.6
135.11647	6.4
137.05968	7.7
141.05545	5.9
141.06966	30.5
142.07770	19.1
143.08531	90.6
145.06476	8.6
145.10094	72.8
147.08020	19.6
147.11696	20.5
149.05991	6.6
149.09651	7.6
153.05428	18.8
154.07706	4.6
155.08511	41.4
156.09261	4.7
157.10094	47.8
159.08023	8.5
159.11694	30.8
161.05856	3.8
161.09636	6.2
163.03877	8.8
163.07701	4.2
165.07021	15.5
166.07828	8.3
167.07158	6.7
167.08469	31.9
168.09204	7.1
169.10063	52.7
171.08020	7.3
171.11665	28.1
173.13206	21.3
175.14813	6.0
177.09108	8.6
179.08517	20.2
180.09227	4.4
181.10071	31.3
182.10881	4.7
183.11659	45.0
185.13248	42.6
187.14755	5.9
189.09099	20.6
191.03244	4.9
191.08556	5.8
193.10103	17.5
195.11658	29.4
197.09625	7.9
197.13295	17.3
199.07451	4.1
199.14812	57.7
201.09076	6.7
201.16400	15.7
203.10860	5.1
205.10114	8.4
207.11610	21.1
209.09534	6.4
209.13208	8.9
211.07448	4.2
211.14830	24.6
215.10806	6.0
217.10149	5.0
219.11650	8.4
221.13194	7.6
223.14693	4.9
225.09081	16.7
227.10658	17.5
229.12222	6.5
229.15839	15.0
231.11694	5.9
235.14786	7.2
237.16284	6.3
247.16946	8.9
249.16359	4.3
251.10580	9.2
259.09476	8.2
263.17999	5.4
277.19452	6.2
287.17810	14.4
305.15503	6.9
305.18939	21.2
315.17401	4.4
321.18402	20.0
323.20041	46.5
333.18454	44.9
339.19592	30.5
341.21066	5.0
351.19528	80.9
357.20535	5.6
369.20566	91.3
373.23605	6.2
387.21530	42.1
405.22449	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	405.2267
Annotation	Strophanthidin
Peak:m/z	Relative Intensity
53.03950	2.8
55.01860	1.8
55.05499	8.0
64.33861	1.8
65.08920	1.8
67.05485	17.3
69.07046	3.1
71.04977	1.9
79.05476	19.2
81.03402	11.1
81.07025	19.2
85.02882	1.9
91.05462	31.1
93.07016	37.0
95.04951	20.7
95.08588	17.9
97.06525	4.4
99.10416	2.4
103.05435	2.2
105.07016	36.7
107.04944	4.4
107.08593	34.7
109.02885	8.6
109.06512	11.0
109.10125	8.3
110.92405	1.7
111.04443	4.5
115.05484	3.3
117.06967	15.3
117.19823	1.9
119.08555	30.2
121.06492	11.7
121.10130	10.1
123.04406	3.1
123.08070	3.6
125.05994	4.5
127.03905	8.8
128.06215	3.7
129.07002	13.8
131.08537	31.7
133.06471	3.5
133.10141	17.3
135.04405	2.2
135.08023	16.2
135.11676	3.8
137.06009	7.9
139.03882	7.3
141.05447	4.3
141.06978	9.7
142.07849	3.3
143.08537	29.1
145.06476	9.0
145.10120	37.1
147.08034	6.6
147.11690	9.8
149.05988	3.3
149.09622	7.6
153.05478	3.0
153.07103	1.9
154.07661	2.6
155.07368	2.0
155.08473	13.7
157.10095	18.5
159.08040	11.0
159.11650	18.4
161.09584	7.8
163.03825	2.7
163.07605	2.1
166.07791	2.3
167.07016	2.7
167.08524	3.6
168.09375	2.7
169.10072	20.3
171.08054	7.4
171.11685	12.3
173.09566	12.5
173.13257	10.3
175.07578	2.5
175.11067	2.6
175.14827	4.0
177.09041	2.1
179.08511	8.1
180.09435	2.0
181.10078	13.4
183.11621	15.6
185.09651	3.2
185.13246	12.0
187.07570	12.6
187.11209	9.8
187.14825	2.9
189.09113	2.6
191.10677	4.2
193.10136	10.8
195.07851	2.2
195.11668	8.8
197.09660	8.4
197.13226	8.1
199.11095	3.3
201.12810	3.4
201.16435	3.4
203.06895	2.0
205.10271	3.9
207.11691	11.3
209.13258	4.5
211.11137	3.7
211.14847	2.0
215.10713	7.6
219.11650	3.0
221.13264	8.1
223.11159	2.4
223.14815	3.1
225.09062	3.5
225.16399	2.6
229.15871	2.9
231.11694	2.3
233.13222	2.6
235.14861	4.4
239.10533	2.8
241.12125	2.6
241.15733	2.4
243.10112	3.4
243.17374	3.6
249.12456	2.9
249.16347	2.3
259.09546	2.5
263.14368	2.9
263.18018	3.3
267.17319	3.9
273.16714	2.0
281.18701	2.1
285.18469	3.1
287.17972	4.3
293.15112	2.2
305.18918	11.0
307.17093	2.9
309.18353	2.3
323.20013	20.1
323.23538	2.2
325.17966	2.6
333.18423	19.2
339.29416	1.8
341.21036	8.5
343.18869	2.3
348.65829	1.9
351.19482	38.9
369.20505	60.8
382.23862	2.0
387.21564	100.0
405.22574	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	405.2267
Annotation	Cortisol 21-acetate
Peak:m/z	Relative Intensity
53.03930	5.9
55.01859	6.8
55.05500	15.6
61.76992	3.8
63.82113	3.2
65.03935	6.0
67.05241	2.8
67.05497	44.3
69.07038	19.5
71.04964	13.3
79.05477	68.5
81.07036	81.7
83.04942	7.2
85.02889	8.4
91.05459	95.6
93.07018	58.6
95.04960	25.2
95.08595	37.0
97.06496	25.4
105.07018	100.0
107.04913	8.2
107.08586	54.8
107.10220	3.7
109.06509	24.7
109.10154	4.9
111.04403	13.4
115.05429	6.3
117.06995	68.1
119.08565	62.1
121.02730	3.9
121.06488	15.4
121.10104	22.8
123.04416	5.0
123.08051	5.8
125.05995	37.8
128.06212	24.3
129.06963	52.2
130.07695	3.8
131.08537	92.3
133.06448	14.7
133.10101	51.3
135.08014	4.6
135.11705	7.7
137.05904	16.6
139.03877	6.3
141.05434	15.1
141.06990	35.8
142.07741	13.9
143.08545	91.8
145.06454	6.1
145.10114	98.9
147.08041	21.8
147.11639	21.1
149.09578	7.0
153.05455	19.0
153.06955	5.5
154.07814	4.9
155.08522	59.3
156.09306	5.3
157.10107	47.2
159.08037	8.7
159.11670	28.2
161.09665	7.0
163.03859	3.8
165.06998	7.6
166.07750	6.4
167.07262	5.0
167.08504	27.3
168.09293	12.2
169.10083	56.1
171.07986	7.3
171.11679	41.1
173.02267	4.5
173.09546	7.1
173.13182	13.5
175.07494	14.4
175.11166	3.8
175.14772	8.2
177.09077	5.2
178.07773	6.5
179.08517	18.5
180.09251	4.5
181.08675	5.6
181.10091	39.2
182.10873	4.1
183.11633	47.1
185.09550	5.3
185.13229	29.4
187.07417	4.4
187.14812	6.7
189.09106	27.0
192.09319	4.2
193.08484	4.2
193.10065	25.1
195.07915	4.6
195.11667	21.6
196.12518	4.1
197.09583	6.9
197.13202	22.3
199.11121	5.0
199.14764	64.2
201.09123	4.8
201.16376	17.6
205.10129	15.8
206.10846	6.0
207.11674	17.7
209.09538	14.7
209.13208	18.4
211.11086	7.3
211.14792	35.1
213.09084	3.9
213.16429	5.3
215.10588	5.3
217.15773	6.1
219.11635	14.8
221.13223	16.9
223.14812	3.9
225.09052	7.9
227.10732	13.5
229.12230	7.0
229.15895	19.9
231.11703	6.3
233.13252	5.6
235.14798	7.2
237.12625	4.8
237.16338	3.8
241.11940	4.0
245.13303	5.1
247.14615	3.8
247.17061	4.7
251.10533	6.5
251.18015	4.6
253.12016	6.2
258.96466	4.4
259.09616	7.0
259.14658	3.8
261.16522	4.6
263.14136	3.5
263.17966	5.4
275.17709	5.4
279.13727	4.0
281.15311	3.7
287.14963	3.8
287.17950	15.0
305.15652	3.5
305.18784	24.8
309.18405	3.9
315.17499	7.6
321.18469	21.0
323.20007	41.4
333.18463	57.7
339.19543	24.8
341.21045	7.0
351.19449	78.9
357.20660	7.1
369.20566	84.1
387.21597	49.9
405.22592	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2265
Annotation	Strophanthidin
Peak:m/z	Relative Intensity
53.03922	2.8
54.49682	1.5
55.05499	3.1
57.32171	1.6
60.43921	1.5
64.33383	1.6
67.05476	20.6
69.03388	3.3
69.07058	3.1
79.05470	24.9
81.07028	24.6
83.04954	4.4
83.08664	2.2
85.06527	2.6
91.05447	31.4
93.07012	58.7
95.04935	16.9
95.08575	19.0
97.06512	4.5
105.06995	41.3
107.04932	11.2
107.08572	28.5
109.06497	40.0
109.10104	9.1
111.07980	2.5
115.05466	2.1
117.06991	21.6
119.04878	2.0
119.08556	28.9
121.06497	13.8
121.10108	7.5
123.04443	2.5
123.08039	11.2
125.05959	77.2
126.09370	1.8
128.06157	4.0
129.06969	16.9
130.07742	2.1
131.08522	37.6
133.06433	12.2
133.10095	22.5
135.08012	9.5
135.11650	4.0
137.05972	2.7
141.06940	10.6
142.07727	7.1
143.08528	31.2
145.06444	12.5
145.10085	42.9
147.08009	16.8
147.11665	12.5
149.05948	3.0
149.09557	3.4
151.07515	6.7
153.05444	34.2
153.06723	3.3
154.07689	2.6
155.08513	16.2
156.09325	3.0
157.10106	22.5
159.07983	17.3
159.11636	19.9
161.09540	18.4
161.13165	4.3
163.07515	2.5
163.11179	2.7
165.06976	3.5
166.07671	2.3
167.08492	7.8
169.10072	25.4
171.08049	8.3
171.11612	18.2
173.09590	18.5
173.13246	7.9
175.07477	7.6
175.11079	8.7
177.09119	3.3
179.08516	8.1
179.10216	2.0
180.09325	2.1
181.10034	15.6
182.10829	3.5
183.11679	17.0
185.09608	3.5
185.13190	8.3
187.07544	2.1
187.11073	8.3
187.14709	2.4
189.09048	15.7
189.65926	1.9
191.10580	7.6
193.10130	7.3
195.11630	7.6
197.09561	15.2
197.13164	14.8
199.11147	10.6
199.14804	3.6
201.12679	10.2
207.11674	8.0
209.13112	4.0
211.11150	10.5
211.14737	12.8
213.09009	2.4
213.12645	9.3
215.10625	15.1
215.14240	9.6
217.12128	2.3
219.11726	3.1
220.12448	1.9
221.13248	12.3
223.14742	8.7
225.09071	4.2
227.10562	2.9
229.12233	3.3
229.15811	3.6
231.13660	3.4
233.13281	3.6
235.11194	1.9
235.14726	6.8
235.16873	6.7
241.12222	6.0
241.15744	4.5
243.10034	15.1
249.12526	3.5
249.16324	3.2
253.12125	2.0
253.15677	2.5
257.11462	2.4
259.16895	11.6
261.11087	3.4
263.17816	4.3
265.15814	3.4
279.13763	2.1
281.15308	2.9
281.18851	2.1
287.17853	2.5
291.17422	7.7
293.15405	2.2
295.17300	2.0
301.07224	2.4
305.18896	19.6
307.20203	2.4
309.18393	13.6
323.19962	37.1
325.21271	4.1
333.18375	25.4
341.20963	46.8
343.22443	4.3
351.19458	66.9
369.20474	100.0
387.16495	3.3
387.21500	82.8
405.22546	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	405.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.6
54.81858	0.6
55.05507	0.6
56.96561	1.2
57.03426	0.7
62.46826	0.4
65.03919	1.5
67.82012	0.5
69.03406	4.7
72.08134	1.1
80.28028	0.5
81.03403	6.4
85.02886	5.7
86.09679	1.4
91.05508	0.7
95.04955	9.6
97.02901	4.7
98.97538	1.0
105.06979	0.6
109.02878	1.0
111.04413	2.6
116.98593	0.9
121.02843	100.0
121.10096	0.9
122.03622	1.2
127.03870	0.9
133.06583	0.7
137.05954	9.3
139.03882	11.0
143.00172	0.9
161.01263	0.8
161.05956	0.8
163.03889	3.0
177.32233	0.6
203.05212	0.6
225.14786	0.7
229.10446	4.1
243.12108	4.2
261.99847	0.6
265.07004	3.6
271.11282	0.8
283.08096	7.0
295.09363	0.7
402.12524	0.6
405.12891	27.4
405.17435	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	404.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.2
55.05505	29.8
57.03416	2.4
57.07061	3.8
57.46758	1.8
67.05489	90.8
69.07049	27.0
71.04968	8.5
73.02872	2.3
76.56680	1.4
77.79977	1.5
79.05470	30.5
81.07038	100.0
83.04941	2.6
83.08583	13.6
85.06521	8.5
91.05467	16.9
93.07021	47.1
95.04953	2.4
95.08583	87.8
97.06503	9.7
97.10127	10.4
99.08067	2.6
104.99252	1.9
105.07024	20.5
107.08588	26.4
109.06509	2.4
109.10136	46.0
111.08099	2.7
117.07020	3.5
119.08533	18.2
121.10124	27.5
123.08015	2.8
123.11689	14.9
131.08560	13.5
133.10112	12.7
135.11650	17.6
137.13228	4.0
139.11133	8.7
145.10107	9.2
147.11705	14.0
149.09605	2.1
149.13199	4.1
159.11658	7.0
161.13197	8.9
163.14740	2.3
163.76974	1.9
173.11728	10.0
173.13161	3.7
201.16290	1.9
243.21072	3.9
261.22000	15.2
279.23157	38.0
297.24170	8.0
351.25323	2.1
369.26190	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	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54297	0.2
67.29520	0.2
69.03423	0.4
78.39816	0.2
79.05512	0.3
80.11276	0.2
83.04956	0.2
85.02886	0.4
91.05463	2.2
103.05474	0.3
105.03418	0.2
105.07021	1.8
107.04950	2.3
108.52171	0.2
109.06499	0.3
115.05447	2.1
116.06222	0.2
117.06984	1.3
119.08591	0.3
121.06483	2.4
121.10057	0.3
123.08010	1.8
125.95410	0.2
129.03339	0.4
131.04892	1.3
132.05698	1.4
133.06464	7.7
134.07191	0.2
136.05154	0.3
137.05939	0.3
138.06776	0.9
139.07515	0.3
145.06442	2.1
146.07262	2.0
147.04399	0.3
147.08037	4.0
148.08804	0.3
149.05977	2.7
149.09631	0.3
151.07536	4.9
160.05156	1.1
161.05945	37.2
162.06667	1.4
163.03798	0.4
163.07491	3.6
164.08257	1.2
174.06705	0.5
175.07495	6.4
175.08908	0.4
176.08290	100.0
177.05461	5.6
177.09050	6.4
178.09850	0.5
179.07031	0.4
179.10640	1.2
181.08565	0.4
189.08989	0.3
189.12604	0.2
191.06981	0.3
192.07796	5.6
207.10132	68.0
208.10458	0.4
209.11656	1.6
384.35306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81818	0.3
62.06075	100.0
63.57215	0.3
65.87453	0.3
65.87810	0.3
77.29120	0.3
78.53248	0.3
85.02902	0.6
110.06046	1.6
116.90761	0.4
134.43973	0.4
135.01495	0.4
146.17603	0.4
150.41801	0.4
177.12863	0.3
204.60074	0.4
319.53949	0.4
360.96704	0.4
417.98373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
56.96558	15.3
57.03419	0.9
62.96376	0.7
67.05488	6.1
69.07031	1.3
71.95259	1.1
76.68974	0.7
79.05463	1.9
81.07049	4.5
82.27468	0.8
82.64460	0.7
83.05019	0.8
83.08614	0.8
91.05446	0.8
93.07012	1.4
94.04184	1.0
95.08631	1.5
98.97562	100.0
107.08534	1.1
109.10152	6.2
116.98596	79.1
122.03632	5.6
133.10178	1.0
134.99637	40.5
137.05960	53.5
140.00131	0.9
142.87892	0.7
144.53923	0.8
153.00659	7.2
158.01230	1.5
159.76361	0.7
160.56976	1.0
173.11674	1.3
179.00180	0.9
197.01208	4.4
220.00481	1.7
226.11104	19.6
229.14343	4.0
235.02724	34.1
238.01462	3.3
244.12123	14.0
253.03773	96.8
268.12125	1.8
271.04837	4.8
276.05420	3.2
280.11914	0.9
329.12888	1.3
344.15219	4.2
361.37680	0.8
404.17368	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.03426	4.7
57.07072	4.8
58.99570	2.6
59.27622	0.5
61.01128	4.0
61.02895	0.8
67.05486	6.3
69.03403	3.4
69.07031	0.7
71.04952	0.7
72.08143	7.7
73.01127	1.2
73.02879	1.0
73.08466	0.6
81.07031	1.5
85.02892	11.1
85.06524	100.0
85.60395	0.6
86.09675	0.7
86.99033	3.1
87.04452	1.2
89.00602	12.4
92.08996	3.8
97.02877	5.0
98.97572	1.2
99.02634	2.8
101.04200	1.4
105.00084	0.9
113.04200	2.8
115.03907	0.7
115.05777	16.6
116.98608	1.0
117.03702	16.5
127.03914	1.4
134.05377	0.7
142.08620	3.5
143.05243	3.9
145.02817	1.4
145.05009	0.9
147.04393	1.1
157.84122	0.6
161.06287	3.6
167.03400	1.0
171.14917	0.8
172.97426	0.7
177.05507	1.0
189.05719	4.6
207.06821	88.0
225.07854	8.0
237.02673	1.0
253.66046	0.7
303.07428	0.7
351.08023	0.7
390.49277	0.6
404.14633	0.8
407.72183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.03426	4.7
57.07072	4.8
58.99570	2.6
59.27622	0.5
61.01128	4.0
61.02895	0.8
67.05486	6.3
69.03403	3.4
69.07031	0.7
71.04952	0.7
72.08143	7.7
73.01127	1.2
73.02879	1.0
73.08466	0.6
81.07031	1.5
85.02892	11.1
85.06524	100.0
85.60395	0.6
86.09675	0.7
86.99033	3.1
87.04452	1.2
89.00602	12.4
92.08996	3.8
97.02877	5.0
98.97572	1.2
99.02634	2.8
101.04200	1.4
105.00084	0.9
113.04200	2.8
115.03907	0.7
115.05777	16.6
116.98608	1.0
117.03702	16.5
127.03914	1.4
134.05377	0.7
142.08620	3.5
143.05243	3.9
145.02817	1.4
145.05009	0.9
147.04393	1.1
157.84122	0.6
161.06287	3.6
167.03400	1.0
171.14917	0.8
172.97426	0.7
177.05507	1.0
189.05719	4.6
207.06821	88.0
225.07854	8.0
237.02673	1.0
253.66046	0.7
303.07428	0.7
351.08023	0.7
390.49277	0.6
404.14633	0.8
407.72183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.9
64.63877	0.3
71.01348	0.4
73.02874	0.5
75.04457	1.9
85.02885	3.3
89.37787	0.3
91.05460	100.0
92.05816	0.5
92.08991	0.4
95.01315	3.2
99.00810	0.3
100.42938	0.3
103.03934	0.4
113.02354	1.3
119.04935	0.6
126.16914	0.4
137.05951	5.3
141.01776	4.8
193.08568	29.4
211.09625	11.0
211.11523	0.5
369.11685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.7
61.02903	0.9
65.03925	0.8
69.03397	3.1
73.02905	0.6
75.04444	0.7
81.03368	1.1
85.02888	11.0
89.03889	0.5
91.05456	91.3
92.09213	2.4
95.01281	1.0
97.02869	1.9
103.05415	0.8
109.02855	0.5
113.02349	0.7
118.04111	1.2
119.04914	39.6
127.03881	0.6
132.02065	1.1
133.02859	0.7
135.04375	0.6
137.05920	2.5
141.01775	1.9
145.02849	0.9
146.03639	0.6
147.04382	37.7
149.02364	1.0
150.84055	0.5
154.91507	0.5
157.03932	3.1
163.03889	1.2
164.04637	3.5
175.03864	59.9
179.06987	4.4
180.08505	1.0
192.04128	19.8
193.08556	19.5
207.06488	100.0
208.06860	0.6
211.09630	4.5
225.07545	28.0
230.32535	0.5
239.76570	0.6
246.70421	0.5
343.56738	0.5
352.50638	0.5
369.11697	0.7
415.05017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01860	1.8
57.03416	2.4
58.69971	0.4
61.02913	4.0
67.05521	0.7
69.03421	7.5
71.04974	0.8
72.08141	0.5
73.02895	2.1
81.03423	3.7
83.01333	0.5
85.02891	22.7
86.09685	1.2
87.04456	0.6
88.52673	0.4
89.03892	1.1
89.68949	0.5
91.03920	0.6
91.05460	23.9
93.07003	2.1
95.04958	1.9
97.02873	7.7
98.97581	0.9
99.04452	0.8
103.05453	2.4
105.03362	0.6
105.07037	0.8
109.02842	2.3
114.54647	0.5
116.98482	0.8
117.03391	1.0
118.04118	1.1
119.04920	42.2
119.08514	0.5
121.06483	2.2
123.04418	0.9
127.03883	4.2
129.03392	0.5
132.02060	0.6
133.02843	0.6
135.07988	0.6
137.05966	0.6
145.02818	2.4
145.04962	3.3
145.10112	0.6
146.03625	0.6
147.04395	36.0
149.02353	1.1
157.03975	3.2
163.03845	1.7
163.07535	0.5
164.04637	3.0
167.07028	0.6
171.69432	0.4
174.03105	0.9
175.03876	57.2
177.01775	1.9
177.05449	1.1
179.06987	4.2
180.08673	2.2
192.04143	19.4
193.04890	2.6
206.12579	0.7
207.06503	100.0
223.13068	1.0
224.13541	0.6
225.07539	33.9
237.02652	0.6
292.43481	0.5
381.10510	0.6
392.04147	0.5
404.15823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14791	0.2
54.59499	0.2
54.81894	0.2
57.03432	4.9
59.04987	0.9
61.02915	0.3
65.03931	0.4
69.03419	11.4
70.06570	0.2
75.04481	0.2
81.03414	0.3
85.02894	10.7
85.06519	1.2
86.09669	0.4
87.04449	6.0
92.04957	0.5
92.08704	0.3
92.09194	0.4
97.02878	6.1
99.04420	0.2
110.06028	100.0
111.06402	0.2
112.03962	0.4
115.03916	4.1
127.03880	0.4
129.10229	0.3
133.04927	2.5
136.07587	0.3
139.40770	0.2
145.04958	0.2
157.01286	0.2
189.03951	0.8
189.38770	0.2
196.09674	0.8
227.72083	0.2
242.10252	1.9
272.11230	6.0
325.79214	0.2
356.87207	0.2
402.27161	0.2
404.15482	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
54.68911	0.4
55.01857	2.4
55.05497	0.5
57.03411	1.2
61.02919	4.7
62.60906	0.5
65.25832	0.5
65.68954	0.6
69.03416	7.5
72.08128	2.5
73.02901	1.3
75.04403	0.5
77.28522	0.7
81.03391	2.4
83.04945	2.0
85.02890	28.2
86.09698	2.4
87.04453	0.6
89.03877	0.8
91.05464	23.9
92.05791	0.8
92.09291	0.7
93.07020	10.5
94.07347	3.8
95.04936	3.4
95.08586	1.1
97.02880	9.7
97.06530	0.7
99.04440	0.8
103.05438	3.0
105.03350	0.8
105.06973	0.8
107.08564	1.0
109.02847	1.2
111.04383	0.6
111.08009	0.6
118.04140	2.2
119.04926	36.6
121.06483	14.3
122.06807	5.0
123.04440	0.7
125.22794	0.6
127.03880	4.0
131.54857	0.5
132.02048	2.0
135.08043	0.7
139.07472	0.7
145.02856	0.7
145.04968	4.0
147.04385	32.2
149.02339	2.6
153.09186	0.6
157.03906	4.6
160.12029	0.5
164.04640	3.5
167.07053	1.0
175.03880	60.0
177.01801	1.0
177.05400	0.7
179.06998	2.6
180.08640	2.8
192.02495	1.0
192.04153	21.6
193.05005	2.5
205.12204	3.2
206.12625	2.5
207.06506	100.0
208.06795	0.6
223.13213	1.8
224.13620	1.2
225.07544	34.0
249.88504	0.6
322.33136	0.7
403.19186	0.6
404.15451	0.7
404.19891	0.9
424.68945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38297	0.4
55.01854	0.6
57.03428	4.2
57.45646	0.4
61.02911	0.6
61.81838	0.3
65.03941	0.9
67.34338	0.3
69.03412	2.3
73.02884	0.4
75.04453	1.7
81.03352	0.5
85.02885	8.0
91.05457	100.0
95.01324	1.5
97.02863	2.8
113.02321	0.5
118.04144	1.8
119.04911	27.3
127.03905	0.6
132.02097	0.7
135.04407	0.5
136.05197	0.6
137.05949	3.9
141.01825	2.0
145.04887	0.5
146.03706	0.5
147.04384	25.8
149.02336	2.0
157.03966	2.0
164.04628	3.3
175.03868	43.1
179.07002	1.6
180.08725	0.4
183.06427	0.6
192.04143	13.6
192.05911	0.5
193.08566	24.0
207.06487	69.2
211.09604	6.4
225.07520	19.4
305.12173	0.4
369.11765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37721	1.6
55.01859	2.0
55.05506	16.6
56.42353	1.4
57.03423	1.7
57.07056	2.9
62.22488	1.7
67.05491	24.1
69.07056	33.9
71.04981	17.0
79.05476	19.2
81.07036	57.6
83.08615	12.6
85.06528	93.3
88.06462	1.6
91.05463	11.9
93.07023	60.8
95.04925	2.5
95.08588	100.0
95.09199	3.3
97.06506	9.2
97.10136	7.2
103.57928	1.6
105.07021	22.0
105.13480	1.9
107.08582	80.7
109.06499	2.3
109.10146	48.8
111.08102	2.2
119.08570	29.1
121.10117	54.5
123.08035	2.9
123.11693	19.6
125.09608	2.4
133.10074	18.2
135.11684	39.3
137.13248	9.8
145.89618	1.9
147.11626	12.7
149.13237	21.4
159.11632	2.4
161.13208	13.9
163.14810	25.9
175.14822	2.6
177.16324	4.4
179.14215	1.9
181.15880	8.0
187.14726	3.2
189.16339	10.6
191.17929	28.4
193.15775	2.7
195.17365	3.8
201.16324	2.5
203.17975	9.2
205.19508	1.9
207.17439	2.2
214.49304	1.6
217.19482	8.5
221.19003	2.3
226.62460	2.1
385.34637	26.9
403.35547	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	403.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.3
57.07055	4.1
67.05486	30.4
69.03403	6.7
69.07054	23.2
69.79877	4.2
70.02135	4.1
70.41580	4.1
79.05466	10.1
81.07042	59.3
83.08600	16.2
85.06526	5.2
91.05443	30.1
93.07020	61.2
95.04937	7.6
95.08578	90.6
97.10118	5.8
105.07029	46.5
107.08568	100.0
107.21622	4.0
109.10146	48.9
119.08576	60.6
121.10116	87.1
123.08060	5.0
123.11686	26.6
131.08557	19.4
133.10086	43.5
135.11644	58.9
137.13190	5.1
145.10126	23.1
147.11661	38.2
149.13223	29.2
151.11189	5.4
159.11685	28.5
161.13213	34.6
163.11023	5.9
163.14815	28.4
175.14801	18.7
177.12700	9.3
177.16302	10.1
179.14139	4.8
187.14763	7.3
189.16328	29.1
191.17873	30.9
201.16365	9.6
203.17902	8.6
215.17896	10.4
255.21120	5.7
325.28830	28.7
343.29816	33.5
361.30664	7.5
367.29776	27.8
385.30914	10.0
401.07938	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.81406	1.6
55.01861	3.2
55.05490	9.9
57.03411	3.3
59.04976	10.3
60.86074	1.2
61.02917	3.2
61.63059	1.6
62.97576	1.4
67.05486	13.3
69.03413	23.6
69.07025	2.7
71.04963	6.0
73.06503	1.6
79.05462	9.1
81.03376	3.4
81.07032	6.2
83.04963	29.7
85.02881	22.0
86.09650	2.8
91.05458	24.1
93.07027	19.1
95.04939	2.8
95.08580	32.5
97.02872	5.7
99.04413	3.6
101.05981	1.8
105.07005	35.7
107.04903	2.5
107.08574	49.3
109.06504	11.9
109.10169	2.1
111.08046	1.8
115.05416	3.2
116.06211	1.5
117.06996	17.3
119.08561	99.4
121.06464	9.3
121.10108	21.8
123.04404	3.0
123.08039	17.1
125.09586	5.7
127.03871	2.9
128.06197	1.9
129.06976	10.3
130.07744	5.8
131.08540	25.1
133.10057	12.7
135.08035	35.2
135.11670	34.4
137.05951	2.8
137.09596	25.7
143.08553	1.6
144.09305	27.1
145.10088	13.9
147.08029	8.9
149.05948	5.8
149.09579	2.2
149.13318	10.2
153.09065	6.7
157.10100	2.9
159.08043	1.7
159.11665	100.0
161.09561	5.8
163.07463	3.1
163.11148	38.1
165.09059	8.8
167.06953	1.9
169.10001	1.9
172.08806	9.3
175.10999	1.7
177.12704	49.5
187.11113	26.8
195.13741	2.5
205.12209	88.6
223.13206	24.8
328.14032	1.8
403.15582	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	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
54.21003	0.9
55.01859	2.5
55.05499	11.7
57.03419	6.6
59.04988	7.3
61.02913	4.8
67.05496	9.7
69.03413	29.1
69.07051	6.1
71.04975	6.2
72.08141	2.4
73.02891	1.5
73.06561	1.1
78.04681	1.3
79.05466	10.3
81.03394	4.9
81.07032	6.9
83.04966	28.9
85.02892	25.7
85.06505	0.9
86.09697	5.9
87.04475	1.4
91.05467	20.8
93.07030	30.9
95.04941	6.2
95.08589	30.0
97.02865	9.8
99.04424	4.7
101.05993	1.9
103.05449	1.5
105.07010	34.7
107.04933	2.2
107.08575	47.1
109.02889	3.8
109.06493	14.0
109.10139	2.0
111.08089	1.5
114.37559	1.2
115.05456	1.8
117.07010	16.7
119.08561	94.8
119.82024	1.4
121.06495	25.0
121.10128	21.9
123.04414	8.0
123.08058	16.4
125.09605	5.9
127.03922	4.0
127.07518	1.8
128.06195	1.2
129.06998	10.0
129.10132	1.2
130.07828	3.5
131.08554	23.5
133.06439	1.6
133.10109	12.6
135.08031	41.3
135.11665	28.7
137.05978	4.6
137.09579	24.4
138.06763	1.2
143.08505	2.5
144.09338	24.5
145.04897	2.0
145.06458	2.4
145.10117	13.2
147.08054	10.7
148.05185	1.6
149.05972	5.4
149.09598	6.9
149.13254	14.1
151.07524	1.8
153.09134	7.9
154.07674	1.2
157.10133	5.2
159.08122	2.4
159.11662	100.0
161.09584	6.1
163.07536	4.3
163.09790	1.8
163.11154	32.6
165.09103	9.3
167.07008	43.3
172.08803	5.5
177.05334	1.1
177.12717	48.9
181.08549	12.6
187.11140	24.9
192.07787	2.2
195.13747	4.2
205.12206	94.7
223.09755	1.2
223.13263	21.3
241.14264	3.9
244.23482	1.1
295.87070	1.1
403.15262	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	403.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
57.03421	1.4
61.02897	1.9
69.03401	2.3
72.08120	1.2
77.79116	0.9
85.02872	2.4
89.03898	1.1
93.89313	1.1
97.02868	1.5
98.97552	2.6
107.04951	4.8
111.04414	1.3
116.98557	1.6
117.03300	1.2
119.03422	1.6
129.87735	1.0
131.04880	4.8
132.05264	1.9
135.04340	1.1
135.06311	1.1
142.07253	1.7
145.02831	1.3
145.06453	1.5
147.04294	1.1
151.03896	1.9
157.06528	1.2
158.03209	1.3
161.05981	1.8
162.06313	1.7
163.03914	5.2
167.07135	1.2
169.06345	1.5
170.06772	2.3
175.09821	1.1
179.10361	2.4
180.07976	1.4
181.08060	2.1
187.03911	2.4
187.07254	1.9
188.04225	4.6
188.60161	1.2
189.05284	2.1
190.05768	2.7
191.06987	5.6
192.07314	9.0
195.09880	36.0
197.05966	1.4
198.06313	2.6
202.09451	1.3
203.05219	1.3
204.04211	4.6
204.07350	1.6
205.04532	5.2
206.09019	1.1
211.09460	2.4
214.06108	1.1
215.06761	2.7
216.07373	1.4
218.05334	1.9
219.06358	2.4
220.06895	4.6
223.09636	5.1
230.08910	1.6
232.06929	1.9
241.10408	58.1
244.06802	2.0
246.04668	2.1
246.08478	1.4
248.10098	1.6
258.08362	2.7
260.06702	2.8
261.06909	9.3
274.07999	1.3
275.09116	6.9
276.09448	26.4
278.07336	4.5
288.05762	2.1
302.07510	1.8
320.08521	7.4
337.09216	1.9
338.09485	14.4
376.84900	1.2
385.14548	1.9
401.52170	1.4
403.15677	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	402.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
57.07062	16.0
58.06581	1.4
63.37609	1.1
64.33722	1.1
64.76633	1.2
69.07015	1.5
70.06581	27.0
71.08606	4.9
76.25838	1.2
88.07610	32.0
92.08486	2.0
95.08595	1.7
96.32151	1.3
98.63110	1.3
98.89325	1.3
102.09148	18.3
116.13308	1.2
129.01813	2.7
146.10439	1.4
160.13936	1.4
199.16733	1.4
247.81456	1.4
274.48700	1.4
340.35645	67.6
340.39810	2.7
351.89203	1.5
384.38388	2.9
402.39285	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	402.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58788	0.8
55.01862	1.0
57.03424	30.8
59.04990	9.5
60.53053	0.9
60.63927	0.9
61.02899	2.4
64.62826	1.0
69.03416	89.1
70.07752	0.9
73.02889	2.3
73.06535	100.0
75.04457	4.6
75.25591	1.0
76.39870	1.0
81.03400	3.9
85.02888	75.1
86.97613	1.0
87.04446	56.8
90.35535	1.1
91.07581	14.6
97.02869	68.4
98.05209	0.9
99.04457	2.2
109.02863	2.3
115.03907	58.6
127.03878	8.4
133.04927	53.2
135.04350	1.1
145.04941	7.1
150.07655	2.4
163.05981	1.7
223.11745	1.6
241.06984	1.2
253.12798	8.6
259.08029	2.6
295.10214	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	402.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61922	1.0
55.01859	5.7
57.03428	1.8
61.02904	6.7
67.05499	1.2
69.03413	2.8
83.01344	1.5
83.04962	2.6
85.02888	2.9
86.09679	1.4
87.00800	3.1
87.04455	2.0
92.08996	6.1
95.04860	1.8
97.02853	2.9
98.97565	1.6
100.18096	1.4
101.02338	1.5
103.05450	7.1
105.06949	1.8
111.00742	1.4
111.04414	1.9
115.05408	2.2
118.04118	2.8
119.03396	6.7
119.04889	2.2
122.10416	1.5
123.04408	2.5
127.03908	1.6
129.06987	2.5
130.04092	1.7
131.04900	35.3
131.08563	2.2
132.97670	1.3
133.06479	6.2
139.03902	2.9
141.06943	10.2
143.03389	3.1
143.04871	1.4
144.05634	1.7
145.06442	7.6
146.03615	3.3
147.04401	2.8
155.04970	1.7
155.07048	2.4
157.02783	1.9
157.06473	8.9
158.03627	1.5
158.07249	2.8
159.04373	5.3
159.07970	1.5
160.05159	2.3
161.05957	12.8
165.05414	2.5
167.06996	6.2
169.06415	14.2
171.04387	3.1
172.05121	2.2
173.05963	6.9
175.03906	6.2
175.07553	2.8
176.03284	1.4
176.04678	7.6
177.05420	6.1
178.06256	1.3
180.07780	9.3
181.04967	2.3
183.04308	2.0
185.05962	5.1
186.06750	7.5
187.03879	16.3
187.07465	7.6
189.01764	2.7
189.05417	14.4
190.06184	1.5
191.07021	36.0
192.07802	1.5
193.08607	2.4
197.05960	14.6
199.03836	2.4
200.04665	3.2
201.05495	4.6
201.09059	2.9
203.03445	2.1
203.06979	2.6
204.04175	23.3
204.07806	2.5
205.05122	1.6
205.08569	6.6
211.07574	2.6
212.58731	1.5
213.05525	3.2
214.06256	5.7
215.07013	13.3
217.04947	10.2
217.08603	3.1
218.05708	6.7
219.06514	23.1
225.05354	1.4
229.08542	9.9
230.05675	1.4
231.06554	10.0
232.07335	2.3
233.07988	4.7
234.05115	2.0
235.05893	3.0
241.04994	1.7
242.05690	5.6
243.06454	9.7
245.04362	14.1
245.08049	8.9
247.09544	13.8
249.07585	2.6
257.08026	12.6
260.06754	33.6
262.04614	2.7
263.05374	1.6
273.07623	7.0
275.09094	100.0
277.07004	22.5
287.05356	12.6
301.06924	8.0
319.08020	26.2
337.09113	49.7
385.11148	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	402.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22630	1.0
55.01860	5.0
57.03423	6.1
61.02915	5.3
68.99793	1.2
69.03407	2.5
69.07068	3.2
73.02892	1.4
73.06527	1.6
82.07397	0.9
83.01325	1.3
85.02892	2.0
87.00811	2.6
91.05460	1.2
95.08575	1.3
97.02872	1.9
97.06510	1.7
98.97561	1.3
101.02317	1.3
102.84932	1.3
103.05434	5.1
105.07013	1.6
107.04948	1.9
111.04443	1.7
113.02328	1.3
115.05443	2.2
117.07024	1.2
118.04100	1.4
119.03360	8.6
119.04904	1.8
123.04376	1.5
125.02306	1.4
128.06172	1.1
131.04901	31.1
131.08539	1.3
132.05766	1.6
132.95584	1.4
133.06496	4.8
135.04301	1.7
137.05904	1.3
139.03870	4.3
141.06967	9.8
143.03415	2.3
143.04971	1.5
144.05704	1.5
145.06482	4.6
146.03615	2.5
147.04417	4.8
149.05946	1.7
155.07004	1.2
157.02844	4.8
157.06483	7.1
159.04395	6.0
159.08029	2.6
160.05200	2.0
161.05928	15.1
163.03835	3.9
165.05516	4.1
167.07005	7.3
168.05669	1.9
169.06447	14.4
171.04401	4.2
172.05162	1.6
173.05916	7.3
175.03934	4.4
175.07510	4.1
176.04649	4.5
177.05435	6.3
178.06166	1.7
180.07805	11.4
181.04933	1.9
185.02199	1.2
185.05901	5.5
186.06718	5.4
187.03908	21.4
187.07475	9.4
188.04689	2.4
189.01784	4.5
189.05426	15.5
189.11192	1.8
190.06248	4.3
190.11473	1.3
191.06992	34.9
193.08527	5.3
196.05087	1.2
197.05995	12.6
199.03795	2.0
200.04720	4.0
201.05458	2.4
201.09064	6.7
203.03308	2.2
203.07050	3.6
204.04158	26.4
205.04964	2.4
205.08582	5.2
207.06392	2.0
211.07439	2.4
213.05437	4.8
214.06294	4.5
215.03548	1.2
215.07008	17.2
216.04042	1.2
217.04980	11.1
217.08563	2.6
218.05684	5.0
219.06520	18.5
221.08006	4.3
226.06233	1.5
229.04945	1.5
229.08524	11.2
231.02859	1.9
231.06558	9.7
233.08002	6.1
234.05188	1.4
235.05963	5.3
242.05664	2.4
243.06488	13.0
245.04366	14.2
245.08005	9.1
247.05827	1.6
247.09587	15.2
249.07561	2.6
257.08087	12.9
259.05917	1.7
260.06723	32.9
261.07410	2.1
262.04697	4.5
263.05429	1.8
269.04105	1.2
273.07556	7.6
275.09070	100.0
277.07016	21.1
287.05432	11.5
293.10358	1.3
301.07025	6.7
319.08002	24.0
337.09109	41.6
355.10071	2.0
358.62500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.05502	35.1
57.07065	10.0
58.06571	2.5
63.06197	1.8
67.05489	26.0
69.07053	48.9
70.06577	24.4
71.02794	2.0
71.04988	7.5
71.06887	2.7
75.29940	1.8
77.03925	2.0
79.05467	22.0
80.39441	2.2
81.07033	63.5
83.08613	17.5
85.06528	45.5
87.35954	2.2
88.07607	46.9
89.07965	3.3
91.05457	19.7
92.08785	5.3
93.07022	74.1
95.08579	91.6
97.06522	5.1
97.10133	4.3
99.60419	2.0
101.80106	2.3
102.09165	20.0
103.09496	5.3
105.07010	64.2
105.07650	3.3
107.08573	100.0
109.06503	2.3
109.10138	43.6
111.08067	4.5
119.08554	88.2
121.10112	68.7
123.08064	4.0
123.11670	20.0
130.90657	1.9
131.08530	10.2
133.10103	58.3
135.11662	62.4
137.09645	2.8
137.13246	4.3
145.10132	17.1
147.11668	39.3
149.13226	32.2
151.11110	2.5
157.10104	2.4
159.11649	19.7
161.13232	46.2
163.14789	34.8
165.12694	2.2
173.13249	10.6
175.14786	29.6
177.16316	8.2
179.14304	11.3
187.14777	9.7
189.16345	44.8
191.17909	34.0
193.15845	11.2
201.16418	4.3
203.18007	13.5
205.15942	2.4
207.17360	34.8
217.19537	4.3
264.40515	2.3
269.22067	2.2
338.34177	30.1
339.34399	36.8
365.31979	10.4
383.32941	43.5
383.37189	4.1
400.37744	38.3
401.33859	13.8
401.38287	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92779	3.7
54.81715	6.9
55.05492	29.6
57.07071	6.5
64.33369	4.5
67.05485	11.1
69.07043	27.3
70.06577	11.6
70.89034	5.0
71.04959	6.2
79.05456	21.8
81.07030	26.6
83.08601	6.9
88.07598	21.8
91.05466	43.7
93.07032	50.2
93.07540	6.0
95.04932	5.4
95.08575	25.0
100.76706	4.7
102.09142	12.2
105.07012	100.0
107.08583	47.0
109.06493	34.1
109.10130	7.1
116.24585	5.5
117.06989	10.8
119.08564	86.6
121.10100	9.9
128.06183	21.5
129.06976	27.5
129.59624	5.2
130.07768	9.7
131.08562	61.5
133.10088	61.9
135.08031	8.3
135.11649	11.1
135.85371	4.6
141.06953	19.7
142.07776	30.0
143.08537	36.4
145.10104	68.5
147.11655	8.3
153.15399	5.1
155.08537	25.7
156.09322	24.5
157.10112	58.5
158.10831	6.2
159.11670	28.7
163.91267	5.4
165.06918	8.8
167.08478	5.0
169.10075	12.2
170.10803	6.8
171.11629	9.7
173.13263	21.5
179.08453	11.8
181.10069	11.6
182.10893	8.5
183.11617	7.5
187.14781	26.4
193.10133	6.6
194.10822	10.5
195.11594	18.8
197.13182	10.9
199.14865	6.7
199.78857	5.3
207.11661	8.9
209.13248	23.4
219.96130	5.0
221.13103	9.1
223.14722	4.6
331.24109	5.5
338.34094	23.7
339.34344	10.4
400.37762	46.4
401.38339	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22305	0.6
51.37929	0.7
53.03932	1.1
53.05912	0.6
55.01863	3.4
55.05504	11.2
57.03427	1.9
57.07059	3.0
59.04978	1.8
60.52517	0.7
61.02932	0.8
65.03943	0.7
65.09222	0.8
67.05499	7.8
67.05788	0.7
69.03416	26.4
69.07059	7.0
71.04957	1.1
72.08131	3.4
74.07397	0.8
79.05470	13.3
81.03402	1.3
81.07040	24.9
81.07524	1.0
83.04965	38.1
83.08597	2.0
85.02887	11.5
85.06535	1.1
86.09686	5.6
86.11266	0.8
91.03973	0.9
91.05450	7.4
92.08720	2.7
92.09292	2.0
92.76347	0.9
93.07024	7.2
95.04940	5.4
95.08576	10.5
97.02869	3.9
98.30464	0.8
99.04442	1.6
99.08081	1.1
100.63400	0.8
101.05977	1.7
105.07009	6.2
107.04926	10.1
107.08609	6.6
109.06512	11.6
109.10147	14.6
110.07243	1.4
110.39172	0.9
111.08064	7.5
114.23708	1.0
117.07006	1.6
119.04884	1.0
119.08558	19.0
121.06468	1.5
121.10127	16.3
122.07262	1.4
123.04380	1.7
123.08041	12.8
124.05155	1.3
125.09591	1.6
127.03918	1.4
129.06926	1.1
131.08548	4.5
133.10060	8.4
135.08046	1.8
135.11636	3.6
137.05959	15.7
137.09593	32.0
138.10332	1.0
139.11157	10.2
143.89494	0.9
144.05690	1.4
145.02808	1.0
145.10094	2.9
147.08035	4.8
147.11711	1.7
149.09589	1.8
151.07549	6.5
151.11188	1.3
151.14847	1.0
156.05656	4.3
159.08063	5.1
161.09563	1.2
161.13229	5.4
163.03848	0.9
163.11156	7.2
165.09138	1.4
167.06969	8.5
170.10936	0.9
175.03802	1.3
175.14825	5.0
177.12787	0.9
185.13240	1.1
187.07475	0.9
190.06209	1.5
191.08621	1.0
192.15138	1.1
193.15802	6.4
203.08607	1.3
203.14291	4.2
205.06505	0.9
205.08495	1.8
206.07156	1.0
208.05164	3.1
208.08929	1.1
217.08553	5.4
218.07242	3.8
219.08029	5.5
221.06032	2.6
221.08052	5.7
221.15331	100.0
231.08040	3.8
234.06650	1.0
235.07486	1.6
236.04585	1.1
236.08290	1.4
239.16472	1.1
246.06609	1.2
247.07523	6.5
248.08209	4.5
249.08865	1.1
259.07434	1.3
263.06934	1.4
263.10751	1.3
264.07773	3.4
265.08533	1.6
269.08020	4.0
272.06516	0.9
275.07068	1.8
276.07809	1.8
277.08594	1.3
279.10144	1.6
282.05240	1.0
282.08740	1.3
290.09155	1.3
291.06815	0.9
291.10123	3.7
292.07169	1.8
293.07986	1.1
296.10541	1.2
307.09564	4.6
308.10300	1.5
309.07742	1.1
309.11139	1.0
311.12793	1.4
315.08667	9.7
319.09579	1.2
321.07617	1.1
323.12610	1.5
330.10934	6.4
337.10471	1.2
339.12119	1.4
351.12228	4.3
353.10086	1.6
368.12555	3.6
371.14902	1.0
383.14841	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	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01875	0.7
69.03408	1.1
70.06584	0.6
78.04687	0.8
79.05470	4.5
81.03407	3.4
81.07053	0.9
85.02898	3.0
91.05454	3.5
92.08698	0.7
93.07052	0.8
95.04943	1.0
95.08562	0.6
102.04647	1.1
103.05456	1.0
105.06991	0.9
107.04924	7.4
115.05381	0.6
116.30692	0.6
117.06985	0.6
118.04092	0.8
119.04952	4.1
121.06492	0.9
123.04409	0.7
128.06180	0.6
129.07027	1.1
130.04131	3.7
131.04860	1.3
131.08568	0.8
132.05702	1.0
133.06503	2.4
135.04346	4.7
141.06944	0.6
144.05696	1.2
146.03622	1.2
147.04376	11.9
148.05151	1.1
149.05966	2.5
150.06732	1.1
156.05693	4.2
158.07149	0.6
159.08032	2.0
160.05144	2.8
161.05986	4.2
162.06725	12.2
163.03877	13.8
163.07512	2.3
165.06906	0.8
167.07016	10.6
174.03081	0.6
175.03891	9.9
176.04710	3.1
177.05421	2.5
178.06216	13.5
179.07040	0.9
186.06772	1.0
187.07639	0.9
189.05441	3.6
190.06215	40.9
191.03368	10.1
191.06950	2.4
193.08571	27.1
193.10339	0.8
202.06160	1.2
202.07852	0.6
205.08492	1.2
206.05699	13.2
206.07484	0.6
207.06448	1.0
208.05153	5.0
217.08516	6.9
218.07306	1.1
219.08006	4.2
220.08804	1.0
221.08038	100.0
223.11281	0.8
229.08569	0.9
231.07898	0.7
232.08879	0.9
233.09564	1.3
235.07497	0.9
236.08398	0.7
237.09132	0.7
247.07484	3.7
247.09682	1.0
248.08305	3.0
250.06036	0.6
254.05664	2.3
259.07648	1.0
261.08936	0.8
262.09851	0.7
263.06906	1.1
263.10635	1.2
264.07788	2.2
265.08511	1.2
267.06473	0.9
268.03522	0.8
269.08038	6.0
271.09622	2.0
275.07071	2.5
276.07825	1.0
277.08643	0.9
279.10132	2.8
282.05368	0.8
282.08817	3.2
287.09348	0.6
289.08835	0.7
290.09122	1.1
291.10159	2.6
292.07239	1.0
293.07935	3.0
301.07175	0.7
307.09515	2.9
308.10297	2.7
310.08072	0.7
315.08545	15.6
319.09430	0.8
321.07541	1.2
323.12827	2.2
328.09433	1.1
330.10941	11.6
331.11716	1.0
336.09912	0.8
337.10608	1.2
339.12155	1.0
343.11697	2.6
351.12164	3.9
353.10510	1.0
365.12247	2.1
368.12341	1.2
371.14676	0.7
383.14789	13.1
401.15964	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38482	1.5
55.05489	1.6
57.03414	1.9
59.61661	1.5
63.88156	1.4
67.05489	2.0
69.03415	2.6
70.89588	1.7
71.04973	3.6
72.08133	18.1
76.64764	1.5
79.05467	19.0
81.07037	2.7
83.04947	2.3
85.02874	10.6
86.09699	26.1
91.05463	7.6
92.09122	9.5
93.07018	7.4
95.04940	8.5
103.05455	3.1
105.04475	2.1
107.04922	27.5
107.08606	2.2
109.06548	2.1
113.64928	1.7
115.05421	2.5
117.06981	3.3
121.06485	10.8
121.10048	2.4
122.03711	1.8
123.04391	4.1
123.08067	2.2
124.05194	7.1
129.06967	8.4
131.04878	2.0
131.08557	10.2
132.91122	1.6
133.10112	3.1
137.05966	3.0
141.06982	3.8
144.05693	8.6
145.06470	7.8
145.10265	1.8
147.04398	2.8
152.04669	3.6
153.05463	2.2
156.05632	20.4
157.06471	2.8
159.08073	13.7
163.03909	4.3
167.07022	55.7
169.06332	2.3
175.07578	1.8
177.05499	2.5
181.04892	10.3
181.06332	2.2
183.08017	2.4
185.16354	1.8
187.07516	8.4
191.06898	2.3
193.08679	2.7
195.06470	2.6
202.06224	7.9
202.07822	2.1
204.07803	2.4
205.06815	2.2
205.08588	11.1
207.06422	6.2
208.05150	27.3
208.08771	2.3
209.05765	2.2
210.06752	2.3
211.07562	2.3
213.15976	2.3
217.08542	34.7
218.07329	3.0
219.08165	12.8
219.09926	2.5
220.08817	9.0
221.06035	3.5
229.08549	2.1
230.07355	2.3
231.08008	8.4
232.08690	2.6
233.09532	3.3
235.07338	3.9
236.04628	12.6
236.08253	7.8
239.16429	1.9
240.04109	2.8
245.09721	2.3
246.06784	2.4
247.07422	17.2
247.09688	3.6
248.08243	14.9
249.05460	2.5
249.09245	2.4
251.10565	2.7
254.05659	17.6
256.07391	3.3
260.08154	3.0
261.08972	8.1
262.09943	3.0
263.07068	3.3
263.10556	7.9
264.07751	7.3
265.08636	4.3
267.06339	6.2
268.03607	3.2
269.07974	38.5
271.05923	3.1
271.09564	7.6
272.06638	8.8
274.06274	2.6
275.06967	8.6
276.07730	9.3
277.08618	3.6
279.06546	2.3
279.10059	10.0
281.08221	2.6
282.05695	2.9
282.08789	13.9
285.07425	1.8
287.09229	1.9
290.09262	2.7
291.10098	10.6
292.07285	3.2
293.08002	11.0
299.08966	2.4
300.06387	4.0
301.06943	2.3
305.08246	2.4
307.09601	11.6
308.10477	4.0
309.11066	2.3
310.08026	5.8
315.08578	100.0
319.09650	2.8
320.10315	2.1
321.07507	3.9
323.12833	8.2
330.10931	76.9
331.11649	7.5
336.09915	2.7
337.10678	7.1
339.12274	3.0
343.11591	14.1
351.12234	14.5
352.13019	2.6
353.09998	9.0
368.12402	6.7
383.14795	42.8
401.15616	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	401.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58734	1.6
53.03929	4.4
54.34556	1.8
55.01846	4.6
55.05500	17.2
57.03431	2.0
57.07064	2.3
57.17721	2.2
58.03113	1.7
59.04971	10.2
61.02909	2.1
61.21734	2.1
64.04119	1.7
67.05476	3.7
67.40945	1.9
69.03410	28.3
69.07038	3.2
71.04968	3.0
79.05483	24.1
80.28605	2.0
81.03387	8.2
81.07035	20.4
83.04967	36.5
83.08591	2.2
85.02892	22.2
86.09699	3.9
91.05437	11.2
92.09177	11.9
93.07027	8.6
95.04934	12.2
95.08569	10.5
97.02873	31.1
99.04442	3.4
101.06007	4.9
105.06992	13.9
107.04940	30.1
107.08607	8.1
109.02866	4.6
109.06471	10.7
109.10126	12.5
111.08079	5.1
113.53224	2.0
115.05426	2.6
117.06998	2.5
119.04895	2.5
119.08570	19.8
119.09265	2.2
121.06459	4.6
121.10100	12.7
123.08041	7.9
124.05151	3.0
125.05980	2.5
127.03857	3.8
128.06183	3.3
129.06964	11.2
131.08519	12.8
133.10088	10.7
135.11644	2.2
137.05930	13.0
137.09601	17.4
139.11151	2.2
141.06966	4.0
144.05688	12.2
145.04898	8.5
145.06490	4.0
146.07260	2.3
147.07979	3.2
151.07484	4.2
152.04614	2.5
156.05659	22.5
157.06442	4.8
158.07217	3.4
159.08009	14.6
161.06099	2.4
161.13179	4.8
163.11150	7.8
165.05518	2.6
167.06995	40.7
169.06284	2.8
170.07281	3.0
174.06706	4.0
175.14775	5.0
181.06384	3.4
182.07201	2.3
186.06750	2.6
187.07466	4.5
189.07147	2.5
191.08521	5.0
193.16020	2.4
202.06104	2.8
202.07774	4.3
203.08685	3.6
205.08534	4.5
207.08017	4.5
208.05142	14.8
208.08768	7.9
211.99084	3.5
217.08498	26.3
218.07231	12.9
219.08107	30.3
220.08794	8.8
221.05865	11.7
221.07965	4.4
221.15321	71.2
223.07420	2.3
229.08562	4.6
230.07140	3.9
231.07928	11.5
232.08701	2.9
233.05898	3.0
233.09535	10.8
234.06758	5.0
235.07501	9.0
236.04636	5.3
236.08266	13.6
237.09010	3.8
239.04611	2.5
239.06958	2.6
239.16095	2.2
244.08736	2.6
245.09883	12.6
246.06689	4.4
247.07483	27.0
247.09663	6.5
248.08257	18.2
249.05383	3.3
250.06097	3.2
251.06787	2.9
254.05626	9.0
258.06921	2.9
259.07428	2.9
260.08243	4.5
261.09232	7.5
262.06134	3.7
262.09863	3.8
263.07056	4.3
263.10544	8.8
264.07715	16.1
265.08423	10.2
267.06491	5.1
269.08032	23.0
271.09546	8.2
273.08884	2.5
275.06918	13.9
276.07767	15.8
277.08521	11.0
278.09201	2.3
279.06424	3.4
279.10001	14.7
280.10886	2.2
281.07950	3.6
282.08856	11.9
285.07327	2.5
286.08676	2.6
289.08737	2.9
290.09332	9.7
291.10056	21.2
292.07272	13.2
293.08023	23.1
294.08786	3.0
296.10443	3.7
299.08752	2.7
305.08099	7.7
305.11658	2.2
306.08902	2.9
307.09485	17.4
308.10330	10.4
309.11124	2.9
311.12646	4.7
315.08563	60.0
319.09436	8.0
321.07483	4.8
322.11548	3.6
323.12732	11.1
330.10928	47.9
331.11792	3.6
335.09006	2.5
336.09778	4.3
337.10611	5.1
339.12372	16.9
343.11661	9.5
351.12186	16.5
353.10159	14.6
362.90985	2.6
368.12332	19.3
369.13049	2.8
371.14536	4.6
383.14783	100.0
401.15732	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	401.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81379	0.3
53.03912	0.6
54.39484	0.4
55.01853	0.6
55.05515	0.5
57.03407	0.4
63.58777	0.3
65.03924	0.5
68.73547	0.4
69.03401	2.2
69.07053	0.4
71.00938	0.4
71.01360	0.4
71.04994	0.4
72.08129	0.5
76.13605	0.4
77.03907	0.4
77.31371	0.4
78.04673	0.6
79.05465	4.3
81.03402	4.1
81.07030	0.9
85.02879	2.9
86.09666	0.8
91.05466	3.4
92.08701	1.0
93.07010	0.9
95.04954	1.8
95.08617	0.7
97.02853	0.7
97.51371	0.3
101.83012	0.4
102.04643	1.6
103.05447	2.3
104.06207	0.6
105.03392	0.5
105.06982	1.7
107.04940	7.6
107.08543	0.5
109.02852	0.6
109.06487	0.7
115.05438	1.4
116.06209	0.4
117.06965	0.6
118.04130	0.8
119.04926	3.1
119.08567	0.5
121.06450	0.8
122.03638	0.5
122.07322	0.6
123.04405	0.7
123.08115	0.5
124.05183	0.6
125.05968	0.4
126.35017	0.4
128.06139	0.7
129.06969	2.2
130.04117	2.4
131.04910	2.0
131.08527	1.7
132.05698	2.3
133.02855	0.7
133.06462	2.0
133.10080	0.5
135.04402	5.1
141.06940	1.9
144.05661	2.6
145.06491	1.9
147.04388	12.2
148.05142	2.0
149.05957	2.8
150.06749	0.6
152.04677	1.5
156.05658	4.8
157.06436	0.7
159.04416	0.6
159.08008	3.4
160.05180	2.9
161.05890	3.7
162.06726	14.4
163.03874	14.5
163.05186	0.8
163.07498	3.1
166.40479	0.4
167.06987	11.0
172.05112	0.6
173.06017	0.4
174.03044	1.5
175.03851	9.6
175.07597	0.4
176.04712	3.9
177.05429	4.3
178.06215	13.6
178.07727	0.7
181.04944	1.4
181.08553	0.5
184.05156	0.7
186.06717	0.7
187.07523	1.9
188.04630	0.5
189.05450	2.9
189.06938	0.7
190.06209	39.7
191.03348	10.4
191.06984	3.0
191.08490	0.6
192.04131	0.9
193.08559	25.1
202.06087	0.9
202.07777	0.5
204.11018	0.4
205.08533	1.8
206.05719	12.5
207.06355	0.6
208.05173	4.7
208.08690	0.5
217.08493	5.9
217.10144	0.4
218.07227	0.9
219.08044	4.1
219.09993	0.7
220.08739	0.7
221.08040	100.0
226.06003	0.5
229.08606	0.6
230.07141	0.5
231.08185	2.7
233.09598	1.6
234.06744	0.5
235.07428	1.5
236.04626	1.7
236.08028	1.1
237.09042	0.7
238.06239	0.5
239.09016	0.5
240.03903	0.6
245.09634	0.7
247.07487	3.9
247.09621	1.3
248.08299	3.2
249.05421	1.5
249.09099	0.8
250.06223	0.9
251.10637	0.4
254.05583	2.2
259.07529	0.8
261.08987	0.7
262.09857	0.9
263.07068	1.5
263.10550	2.5
264.07727	2.4
265.08472	1.6
267.06348	0.7
269.08020	6.5
271.09650	0.8
272.06796	0.8
274.06073	0.5
275.06992	2.4
276.07718	1.7
277.08490	1.5
279.09930	1.6
282.08707	3.0
289.08862	0.5
290.09314	1.7
291.06857	0.5
291.10004	3.5
292.07153	2.0
293.08008	2.0
299.08801	0.7
300.06335	0.5
305.07892	0.7
307.06375	0.5
307.09415	2.8
308.10419	0.9
310.08109	0.8
311.12814	0.5
315.08554	13.4
319.09525	1.7
323.12747	1.9
330.10931	12.7
331.11676	0.8
335.09125	0.5
337.10599	0.7
338.07886	0.8
339.12195	2.2
343.11652	2.3
351.12210	3.7
352.13135	0.6
353.10040	2.3
356.12463	0.6
360.98636	0.4
365.12122	2.8
368.12128	1.4
371.14511	0.6
383.14801	14.7
401.15930	3.0
401.20218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	10.0
60.95949	0.5
61.57510	0.4
61.77697	0.5
61.87402	0.5
71.95242	0.7
74.98051	0.5
82.24626	0.4
92.09252	0.5
98.97550	99.8
102.95688	0.5
110.18530	0.5
114.36756	0.5
116.98589	97.4
130.56258	0.5
134.99625	55.9
140.96513	0.6
153.00664	8.3
158.01186	1.0
166.34488	0.6
177.00905	0.8
190.95340	0.8
211.55293	0.5
219.01900	1.1
223.20474	0.5
232.96436	1.1
234.99710	2.8
240.98466	3.8
250.97415	0.9
256.96405	2.8
257.96463	0.6
258.99670	42.6
260.99792	2.2
261.03003	3.2
272.94153	0.7
274.97433	11.5
275.97653	1.1
277.00729	100.0
278.01086	1.1
279.00595	4.4
282.99988	1.9
284.99786	6.7
288.92310	1.7
290.95444	0.9
292.95261	1.1
292.98428	13.0
293.98672	0.8
294.98633	0.7
295.01758	2.2
298.97513	0.7
300.02316	2.6
301.00955	3.5
302.01044	2.4
303.00739	18.1
306.93011	0.6
316.98743	2.7
321.01773	1.2
359.03680	1.0
382.95587	0.8
382.99725	3.4
400.96988	7.0
401.00867	12.3
414.95566	0.7
419.01978	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	400.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.8
53.03938	0.5
53.79429	0.3
53.99795	0.3
54.41694	0.2
55.05504	18.4
55.59735	0.3
56.05035	0.3
57.07059	3.2
58.06587	2.8
67.05492	3.5
67.23447	0.3
68.53677	0.3
69.06670	0.3
69.07052	14.2
70.06575	25.0
70.29153	0.3
71.08607	1.4
72.08127	0.6
74.06047	0.6
75.20705	0.3
79.05472	1.5
81.07026	4.7
83.04957	0.4
83.08600	6.6
85.06519	1.9
85.10171	0.5
86.09675	0.5
88.07611	42.0
89.06005	0.5
91.05510	1.2
92.08553	0.4
92.09089	1.6
93.07037	3.4
95.08586	4.8
97.06525	0.5
97.10139	3.0
102.09156	17.7
105.07017	1.8
107.08600	3.3
109.10140	1.4
111.08029	0.5
119.08536	2.2
121.10130	2.7
123.08012	0.4
123.11692	0.5
131.08554	0.4
132.10165	2.3
133.10109	1.9
135.11644	2.5
145.10109	0.6
146.11728	0.7
147.11658	1.3
149.13237	0.4
150.11209	1.5
154.15927	0.5
159.11665	0.5
161.13234	1.4
163.14835	0.4
175.14732	0.6
187.14847	0.4
189.16412	1.3
191.17860	0.4
194.10629	0.4
228.09642	0.3
288.83954	0.3
320.33087	0.5
332.58926	0.4
333.27908	0.4
338.34079	50.0
346.28015	0.5
356.35187	0.6
382.36761	3.8
383.33167	0.5
400.37753	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.9
55.01865	1.4
57.03431	33.6
59.04984	5.6
60.04514	1.2
61.02911	5.7
66.25949	0.6
69.03417	89.3
71.04971	1.1
73.02908	4.6
75.04475	4.5
76.02880	0.6
81.03410	5.5
85.02892	100.0
87.04451	59.5
91.03933	2.9
92.08636	1.2
97.02876	62.7
99.04443	3.1
103.03925	1.3
109.02871	4.7
115.03913	55.2
127.03902	15.1
133.04950	56.9
133.52054	0.6
145.03818	1.2
145.04938	24.3
150.07591	5.1
163.05980	10.7
168.30325	0.6
169.04895	0.7
197.18091	0.6
241.06937	0.6
251.14861	1.1
259.08127	3.1
260.97672	0.6
277.09262	2.0
295.09998	2.0
395.48843	0.6
421.44894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03429	29.5
58.33104	0.7
59.04979	5.6
61.02905	4.6
69.03416	85.0
73.02881	4.3
75.04449	3.8
81.03395	4.9
85.02889	100.0
85.06544	1.0
87.04450	53.3
90.16097	0.9
91.03925	3.9
97.02872	61.2
99.04428	4.3
100.11213	1.1
101.02309	0.9
103.03944	1.4
109.02856	5.4
111.04381	1.2
115.03909	49.7
127.03902	13.4
133.04947	45.6
145.04930	20.9
145.74109	0.8
150.07584	4.7
163.05963	9.4
182.15347	1.8
210.02974	0.8
210.14886	1.5
223.67461	1.0
251.14828	4.9
259.08160	1.9
277.09308	0.9
295.10275	1.7
296.27728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.9
53.03944	1.8
55.99981	0.8
57.03428	29.3
57.07063	5.8
59.04984	6.6
61.02911	5.2
61.95594	0.8
62.23186	0.9
69.03416	74.6
71.08614	1.0
73.02899	4.1
75.04455	2.2
81.03397	5.2
83.01375	1.0
85.02891	100.0
87.04453	41.3
91.03947	1.6
94.03612	0.9
94.36665	1.1
95.22514	0.9
97.02875	58.2
97.07336	1.0
99.04443	4.2
103.03899	1.2
109.02896	5.1
113.02483	1.0
113.03495	1.0
115.03912	43.4
119.65176	1.1
127.03912	14.1
133.04944	46.6
145.04941	20.8
150.07640	2.4
163.06006	10.0
174.72028	1.0
189.11203	7.5
209.71841	1.2
229.72058	1.1
241.07040	1.1
251.15150	1.7
259.08109	4.2
295.10214	4.0
302.18225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83278	0.6
53.03938	0.7
53.04558	0.6
53.63925	0.7
55.01870	1.6
55.05495	8.7
57.03422	4.8
57.74200	0.7
59.07071	0.7
59.68183	0.7
61.02912	1.6
64.33104	0.8
67.05492	13.8
69.03410	13.8
69.07053	19.6
71.04974	30.2
79.05475	30.4
81.03418	1.0
81.07034	20.4
83.04969	4.1
83.08640	1.1
85.02891	9.3
85.06536	1.1
87.04448	28.0
91.05496	1.0
92.09042	3.9
93.07021	59.3
95.04995	1.1
95.08585	52.4
97.02857	3.4
97.06508	12.8
97.10133	1.3
101.06014	4.8
105.07007	1.4
107.04938	1.2
107.08570	2.1
109.10146	1.0
111.04430	1.5
111.08024	1.5
111.11677	1.0
113.05969	1.0
113.09622	8.6
115.03912	19.0
118.77150	0.8
121.10120	89.2
125.05976	1.1
127.03865	1.3
131.08574	1.3
134.80591	0.8
139.11154	76.7
145.02876	1.1
145.04851	0.8
149.09572	8.9
157.12219	62.6
163.03879	4.4
167.10620	5.0
177.05437	0.9
181.68355	0.9
185.11661	18.3
199.50708	0.8
203.12747	100.0
221.13805	5.2
266.64508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01843	1.1
55.05500	11.8
57.03428	22.4
57.07129	0.7
58.38488	0.8
58.61175	0.8
59.04980	4.1
61.02911	3.9
63.45119	0.9
67.05491	14.1
69.03416	17.9
69.07052	36.8
71.01331	1.1
71.04977	29.0
73.02896	2.2
73.06538	10.5
75.04450	1.9
75.48284	1.2
79.05476	29.6
81.07043	20.1
83.04964	9.2
83.08573	1.2
85.02883	13.3
85.06532	2.3
85.32071	0.9
87.04453	24.6
91.70695	1.0
92.09111	4.9
93.05491	8.4
93.07024	57.0
95.01319	3.9
95.08006	2.1
95.08588	48.4
97.02866	7.3
97.06513	20.6
97.10119	2.3
101.05983	5.8
105.07021	1.5
107.04958	2.3
107.08573	3.6
109.02872	1.5
111.04418	2.2
111.11676	1.9
113.02364	1.2
113.09644	7.4
115.03914	19.3
115.07555	16.6
117.05474	22.1
120.08066	1.7
121.10126	86.2
125.05907	1.4
127.03879	1.4
131.08513	1.6
135.04413	1.9
139.11162	68.2
141.01770	7.9
145.02815	2.0
147.21707	1.1
149.09604	7.9
157.12212	57.7
163.03880	16.5
167.10687	5.1
171.45761	1.1
174.12764	1.6
185.11746	14.3
189.11205	36.6
203.12756	100.0
233.10167	2.0
238.14384	1.1
279.04294	1.4
347.13248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.9
53.03912	1.0
56.75026	0.8
57.03427	16.2
58.31680	0.7
59.04988	3.4
60.04520	0.8
61.02931	1.2
64.33155	0.8
67.05498	0.9
69.03416	43.0
71.04978	67.8
73.02879	0.9
75.04459	1.6
75.38627	0.7
81.03394	1.0
85.02888	30.2
87.04453	28.4
89.06013	100.0
92.09258	1.7
92.11394	0.8
93.07022	1.4
97.02877	32.8
97.88288	0.8
112.21429	0.8
115.03906	27.9
127.03927	2.1
133.04950	24.1
136.06195	1.3
145.04973	1.8
146.06038	1.3
150.07597	1.7
159.06512	5.8
174.05492	1.7
203.09169	1.7
220.05969	3.4
259.08127	1.3
295.10303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79251	0.7
55.05493	4.1
57.03426	47.6
59.04985	1.1
61.02911	5.8
67.05482	4.1
68.22982	0.7
69.03415	10.3
69.07052	63.6
71.01323	1.7
71.04966	7.4
73.02887	4.1
73.06537	32.3
75.04453	14.5
79.05474	6.6
81.03395	0.8
81.07018	4.6
83.01272	1.1
83.04953	1.3
85.02885	25.5
86.03228	0.7
87.04442	9.7
87.08093	7.1
88.08420	1.3
93.05493	19.4
93.07019	13.9
95.01300	11.5
95.08576	11.6
97.02857	5.9
97.06509	28.0
97.07121	1.4
99.00819	1.3
101.05990	1.2
103.03931	1.1
107.08588	0.9
109.02831	1.1
113.02312	6.9
113.09594	1.1
115.03888	6.0
115.07542	44.0
117.05463	61.6
121.10115	24.1
129.05437	1.0
131.03389	3.6
134.05263	0.9
139.11150	16.8
141.01807	18.5
149.09460	1.4
157.12207	16.7
159.02867	1.3
163.03877	1.4
167.10634	1.3
171.10182	1.4
185.11722	5.1
189.11180	100.0
203.12753	25.9
275.07617	1.2
293.08591	5.9
294.17877	0.8
310.60089	0.8
314.80685	0.8
347.13281	2.9
365.14410	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	399.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35163	1.0
53.03931	2.3
55.05502	18.2
55.11489	1.1
56.96568	1.4
57.07056	6.6
63.67006	1.1
65.55772	1.1
66.22130	1.1
67.05489	24.5
69.07056	27.4
70.06641	1.2
79.05472	12.0
81.07038	51.2
83.04948	4.6
83.08613	9.4
85.06537	5.2
91.05471	9.6
93.07018	54.1
95.04924	1.7
95.08584	100.0
95.62245	1.2
97.10136	2.8
99.04417	1.6
100.41453	1.4
101.05976	6.8
105.07016	31.3
107.08578	76.6
109.10133	41.5
112.52367	1.2
119.08564	37.1
121.06534	1.5
121.09256	2.3
121.10118	64.2
121.10983	2.7
123.11678	12.6
131.08549	9.2
133.10091	30.3
135.08028	5.4
135.11673	62.0
137.13234	6.8
143.08513	1.8
145.10117	9.7
147.11658	25.3
149.09558	1.3
149.13243	34.1
151.11150	1.2
153.09062	4.9
159.10519	1.3
159.11688	11.3
161.13202	17.0
163.11128	1.4
163.14777	10.6
173.13251	9.2
175.14871	5.5
177.12714	7.5
177.16280	2.8
181.12177	1.6
187.14757	3.1
189.16336	10.5
191.14386	10.0
191.17908	93.1
195.13733	9.8
203.17940	8.1
205.19443	1.7
207.13762	5.1
209.15277	18.0
217.19511	10.8
221.15547	1.3
240.18079	1.4
257.22665	2.6
261.18448	1.6
294.06912	1.3
320.38571	1.4
372.02185	1.5
399.32477	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
55.05503	16.8
57.07056	6.7
59.04975	1.6
67.05492	19.9
69.06709	1.6
69.07054	27.0
71.08604	2.0
72.59108	1.1
75.50188	1.1
79.05486	12.9
81.07037	49.9
83.04955	2.5
83.08594	11.7
85.06528	2.4
91.05446	8.6
92.63702	1.2
93.07018	59.4
95.08582	100.0
97.10156	5.0
99.04428	2.3
101.05982	5.9
105.07017	25.3
107.08572	82.6
108.67859	1.2
109.06465	2.1
109.10132	41.0
119.08545	31.5
121.09245	2.4
121.10117	62.5
123.11688	12.2
127.07506	1.5
131.08559	7.5
133.10107	27.2
135.07986	5.9
135.11665	60.6
137.13222	5.7
145.10110	12.0
147.11670	26.8
149.13231	35.2
151.14812	1.6
153.09094	2.5
153.84970	1.3
159.11678	11.5
161.13199	11.1
163.14766	10.0
171.11580	1.7
173.13242	8.1
175.14781	9.6
177.12762	10.2
177.16454	1.3
187.14708	2.1
189.12688	1.8
189.16360	7.2
191.14299	9.3
191.17903	80.1
195.13818	8.7
201.16373	2.3
203.17935	9.1
205.19458	2.1
207.13747	6.1
209.15366	13.7
217.19495	9.5
231.20941	1.2
257.22528	2.9
261.18494	1.7
282.58734	1.3
392.34457	1.5
399.27139	6.3
399.32355	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27067	0.5
53.00294	0.6
53.03938	1.1
55.01857	1.1
55.05499	0.7
57.03426	10.3
57.07065	6.3
58.03770	0.5
59.04982	0.7
60.16717	0.5
61.02922	3.7
66.91138	0.4
67.05486	0.6
69.03416	18.4
69.07059	0.8
71.04971	1.1
73.02890	2.9
75.04475	0.8
79.05460	0.9
81.03384	7.6
81.07048	1.2
82.03761	0.5
85.02893	33.7
85.06518	2.8
86.03236	0.6
87.04463	5.6
88.34740	0.5
91.03946	1.1
91.05483	0.9
95.04922	0.8
97.02874	14.6
98.03208	1.1
99.04435	3.1
101.06022	0.6
102.04649	0.8
103.05444	46.5
105.07011	3.6
109.02859	3.9
115.03882	5.2
117.05431	0.9
121.02888	0.7
127.03895	6.4
127.07457	0.6
130.04121	3.4
131.04906	100.0
133.04956	3.3
133.06458	2.2
144.30325	0.6
145.04939	3.8
145.06366	0.5
147.04390	1.2
148.05170	22.4
161.05936	4.1
162.06717	2.2
163.06096	1.3
163.07509	28.9
167.06953	4.4
168.07274	3.7
175.07542	0.8
201.09029	0.9
201.65100	0.6
219.10231	0.8
237.11278	0.9
247.11774	1.1
267.06641	0.6
353.44815	0.6
399.16251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91241	0.4
56.96555	15.0
57.25459	0.4
71.95245	1.0
75.38988	0.5
82.82953	0.5
84.37630	0.4
97.02869	3.3
98.97559	100.0
116.98595	96.0
119.01871	4.2
134.99634	62.0
137.02927	2.0
140.00191	0.7
145.39252	0.5
153.00682	11.1
158.01227	0.5
172.94241	4.3
176.97821	0.5
177.00912	5.3
177.96223	0.6
178.01047	0.5
179.00642	2.1
190.95364	6.8
194.98364	0.5
208.96385	4.8
214.95413	2.0
219.00162	0.5
219.01907	3.4
220.02129	1.2
221.01746	1.2
230.93343	0.8
232.96404	8.4
234.99831	1.0
243.01907	0.6
247.01436	0.6
250.97423	8.0
256.96381	13.3
258.97180	0.9
258.99762	7.3
261.02988	9.1
262.03180	3.8
263.02832	4.4
264.02875	1.1
264.98911	0.7
272.94302	3.0
274.97440	90.2
275.97925	1.0
276.97842	1.3
277.00815	11.5
279.00885	0.8
282.99963	12.6
283.02948	0.8
290.95419	2.6
292.98492	80.0
297.99078	1.8
300.97729	1.6
301.00977	30.8
302.01151	1.2
303.01019	0.8
305.00616	0.5
316.00134	1.0
318.98572	0.8
319.02063	2.0
321.15390	0.5
375.99432	0.5
380.96515	4.0
396.94485	0.6
398.97858	23.2
416.94687	2.3
416.98969	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	398.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05500	4.1
56.05854	0.3
57.03427	0.9
57.07065	3.2
59.04995	0.6
61.02908	1.6
65.40006	0.3
67.05492	5.6
69.03412	3.3
69.07041	2.7
71.04972	2.0
79.05479	1.7
81.03403	1.8
81.07035	26.3
83.04954	0.5
83.08599	5.1
85.02887	7.4
85.06526	1.8
87.04480	0.6
88.03966	0.3
88.13923	0.4
91.05457	1.6
93.07034	3.1
95.04958	0.6
95.08588	7.9
97.02864	1.7
97.06511	0.5
100.11221	3.2
105.06994	6.8
107.08577	3.0
109.02870	1.3
109.06493	0.6
109.10101	1.9
109.31346	0.3
113.05975	0.5
119.04946	0.6
119.08558	2.9
121.10119	12.2
123.11680	100.0
127.03893	1.7
132.79660	0.3
137.13222	6.5
141.12796	0.4
142.37804	0.3
145.04980	0.5
147.04422	3.4
147.10797	0.5
147.11664	16.9
165.12704	17.7
183.12129	0.6
183.13771	18.5
187.09238	0.4
201.14806	10.0
209.58281	0.4
219.15895	7.1
229.10745	1.5
247.11609	0.5
249.68144	0.3
261.06085	0.4
264.53549	0.3
335.44482	0.4
336.91479	0.5
340.02496	0.3
351.91983	0.4
398.32779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.01863	9.7
55.05505	6.7
57.03423	24.7
57.07061	2.1
60.25827	1.4
61.02920	18.3
64.35683	1.5
67.05495	3.2
69.03414	46.7
69.07051	48.6
71.04977	10.7
73.02894	66.4
81.03403	10.1
81.07010	6.1
83.04963	7.5
85.02888	100.0
85.36993	1.6
86.09673	2.2
86.13422	2.0
87.04464	8.5
88.02947	1.8
91.03959	1.9
92.08781	2.8
92.09255	2.5
95.08553	3.4
97.02865	63.3
99.04451	4.2
100.44552	1.7
103.03905	4.0
107.08596	4.3
109.02859	12.5
111.08062	3.0
114.37498	1.9
115.03886	21.7
117.03548	1.8
127.03881	29.5
133.04947	24.1
141.53146	1.9
145.04956	25.8
147.04407	2.0
163.05925	14.9
183.10208	2.8
183.13873	2.2
201.11188	3.6
241.07068	4.3
259.08014	16.8
277.09125	2.5
295.10129	15.0
303.05151	2.5
361.03851	10.7
362.04291	2.2
379.05188	3.6
398.20224	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	397.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97886	4.1
54.10646	4.8
55.05507	78.2
57.07054	4.8
59.77581	4.4
64.33615	5.1
67.05496	75.1
67.62598	4.7
69.07037	22.2
71.04977	9.3
79.05464	35.5
81.07034	100.0
83.08597	32.0
91.05459	21.8
93.07023	38.6
95.08578	87.6
97.06470	6.1
105.06989	10.0
107.08556	28.3
109.10162	48.1
114.29503	5.4
116.45429	4.9
117.09700	5.3
119.08570	10.6
121.10096	27.2
123.11671	9.2
131.08524	11.7
133.10083	7.2
135.11771	7.4
145.10132	5.9
151.70850	4.9
159.83641	5.5
161.13284	8.0
261.22217	9.3
279.23163	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
57.03428	4.5
57.07069	7.0
57.79731	0.4
67.05486	3.6
69.03415	0.7
69.07059	0.8
71.01345	0.6
71.08621	2.7
73.02898	3.5
75.04460	0.5
81.07038	0.7
83.01318	0.5
85.02888	10.3
85.10165	35.5
87.08079	0.4
91.27291	0.4
93.07083	0.5
95.01308	9.4
95.08582	100.0
99.00792	0.6
100.11246	0.5
103.03938	0.6
105.06979	0.5
113.02341	5.4
113.09624	55.9
131.03397	2.4
131.10663	2.9
141.01805	16.4
159.02856	1.9
162.78011	0.5
167.09483	0.4
187.13254	41.3
190.76889	0.5
205.14323	38.7
289.12836	0.6
345.15479	0.5
363.16315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3094
Annotation	alpha-Micropteroxanthin A
Peak:m/z	Relative Intensity
53.00631	2.2
55.05494	11.8
65.87054	2.4
67.05486	45.2
68.86722	2.7
69.03392	4.7
69.07055	58.2
79.05472	29.0
80.45393	2.6
81.06590	4.4
81.07037	74.8
83.04970	11.5
83.08601	4.6
85.02876	4.2
91.05447	36.9
92.08654	6.8
93.07021	44.0
94.08298	2.8
95.08575	54.5
97.06496	6.6
102.96886	2.8
105.07013	59.4
107.08568	54.4
109.10138	59.3
117.06973	16.1
119.08559	48.0
121.10118	36.2
123.11674	12.1
129.06976	15.1
131.08527	45.8
133.10094	60.6
135.11694	12.0
141.06911	5.8
142.07762	13.3
143.08569	28.8
144.09160	4.6
145.10110	51.4
147.11653	51.5
149.13240	6.9
151.11147	6.9
155.08511	10.7
157.10092	100.0
159.11646	59.3
161.13202	18.4
163.11150	3.8
167.08556	3.9
169.10088	11.5
171.11646	29.9
173.13202	16.1
175.11156	16.4
175.14738	3.5
177.12665	3.2
182.10791	4.0
183.11632	22.3
185.13177	19.2
187.14761	4.4
196.12367	3.6
197.13222	24.6
199.14801	6.5
209.13206	4.1
211.14845	22.2
213.16290	23.3
223.14833	3.9
225.16406	5.0
227.17883	3.6
237.02708	4.4
251.17892	3.4
253.19434	80.4
258.64465	3.0
271.20508	69.7
283.24127	3.4
319.35458	2.9
329.24634	6.0
337.21552	19.2
361.28638	5.4
379.29691	21.4
397.30917	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31015	0.1
55.01856	0.3
55.05481	0.2
57.03428	0.8
58.32929	0.1
59.04988	0.1
61.02916	0.1
69.03417	1.1
70.70526	0.1
73.02880	0.2
75.37685	0.1
75.69700	0.1
81.03392	0.2
83.04977	1.0
85.02875	1.0
85.06525	0.1
87.04459	0.1
91.05408	0.1
92.09028	0.4
97.02884	0.6
98.97550	0.1
99.04414	0.2
111.04375	0.2
115.03935	0.2
119.03511	0.5
123.04436	0.1
127.03790	0.1
133.04962	0.2
136.06163	100.0
137.04530	0.4
137.06593	0.1
137.71669	0.1
141.08983	0.1
145.04893	0.1
152.06726	0.1
173.02681	0.2
268.10339	16.0
335.10928	0.6
397.10852	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01871	2.3
55.05502	16.1
57.03429	28.0
57.07066	11.5
59.04988	3.1
61.02916	9.8
67.05497	57.2
69.03420	80.7
71.04969	2.6
71.24924	1.3
72.04492	16.0
73.02901	3.6
78.31941	1.5
79.05479	3.6
81.03409	14.5
81.03800	1.5
81.07037	2.9
83.04970	37.3
85.02897	100.0
85.06531	77.0
87.04454	47.0
90.05521	11.1
91.03938	3.2
92.08680	2.2
92.09203	3.1
93.07043	2.6
95.04948	2.5
97.02879	56.4
98.97554	1.7
99.04439	7.1
101.05992	3.1
103.03947	1.4
103.07565	5.6
105.07026	1.8
107.08613	1.8
109.02894	2.8
109.06490	5.8
111.04462	2.9
115.03907	33.2
117.07030	1.6
123.04398	2.4
123.08064	1.8
127.03907	13.3
131.84914	1.5
133.04942	30.7
135.07986	1.8
139.07503	2.5
145.04964	17.4
146.08151	3.5
153.09064	2.6
156.56105	1.3
163.06003	5.7
163.07573	2.2
172.09648	22.1
181.08768	1.8
199.09645	7.6
218.10201	2.0
229.10648	1.8
235.12956	7.5
277.76761	1.5
317.10345	1.7
419.55811	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	396.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94813	1.1
55.05495	3.4
57.07065	44.7
59.04965	1.2
66.98779	1.1
67.05480	1.8
68.73071	1.2
69.07045	2.0
69.89699	1.2
71.08612	27.8
71.49680	1.3
73.06526	5.4
81.07026	2.5
83.08591	2.6
85.10166	27.5
89.06011	100.0
91.05473	2.1
95.08589	2.1
99.11704	1.6
105.07049	1.2
107.07030	2.6
107.08599	2.3
119.08591	1.9
133.08580	25.6
141.16353	1.9
143.08505	1.5
145.10120	1.7
177.11151	5.7
185.18900	1.5
229.21602	3.0
239.14764	13.8
260.52032	1.6
378.32037	1.8
379.30444	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	396.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
54.82078	2.6
55.01857	11.8
55.05509	21.9
55.05716	2.4
57.02767	2.2
57.03415	5.3
57.07058	3.0
58.99568	3.8
59.04980	18.9
61.89804	2.5
67.05491	68.6
69.03409	25.7
69.07041	15.2
70.02903	2.3
70.06564	3.2
71.04983	36.7
72.08108	4.0
72.42579	3.2
74.00653	21.1
74.01019	2.7
76.02190	15.3
79.05471	48.7
81.03385	15.6
81.07036	76.2
83.04945	11.1
83.08595	13.4
85.02889	28.5
85.06521	30.0
86.09681	4.4
86.99049	3.7
87.02638	3.3
87.04440	37.8
88.03973	24.1
91.05442	31.0
91.18128	2.5
93.07011	57.4
95.04932	6.5
95.08580	95.8
97.01102	4.7
97.02862	14.9
97.06505	38.0
99.04409	11.8
105.00057	4.9
105.05475	6.7
105.06996	31.4
107.08569	81.2
109.02835	12.0
109.06474	19.6
109.10130	25.7
111.04502	2.9
111.08067	23.9
113.04193	4.1
113.05981	15.5
113.09624	11.5
115.03890	5.8
117.06987	6.9
119.08564	35.5
120.01128	34.1
121.06467	6.0
121.09322	2.7
121.10084	23.6
122.02684	27.3
123.02632	12.4
123.08026	5.8
125.05972	6.9
125.09604	12.4
127.03888	6.3
127.07497	20.8
129.06995	4.3
131.08495	3.8
131.10611	3.6
133.10088	14.3
135.08015	67.5
135.11679	10.8
136.07526	5.3
137.06030	3.3
137.09598	4.1
139.07506	5.0
139.11137	21.3
143.08530	6.7
145.04919	5.4
145.10141	5.4
147.08047	3.9
153.09077	65.5
159.11633	3.7
161.13272	21.7
163.07448	5.8
163.11185	5.5
165.03641	15.8
168.04793	21.8
171.10109	3.3
175.11169	2.8
175.14810	6.0
177.16884	2.9
181.08556	6.4
181.12135	21.0
185.13240	15.6
199.09641	16.4
199.13228	13.7
203.14304	5.0
217.14279	6.7
221.15288	6.4
239.16362	19.0
248.09396	10.3
255.13956	3.4
257.17413	4.5
296.16864	4.3
305.01962	2.9
314.17679	6.1
325.12643	4.5
343.13861	5.3
360.18295	71.5
361.14609	3.2
378.19324	100.0
396.20129	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	395.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46336	1.2
55.05509	15.2
57.07060	8.8
59.44373	1.3
60.83308	1.5
67.05496	22.5
69.07050	23.2
71.08596	1.6
79.05476	15.5
81.07034	60.3
83.08592	12.6
84.51379	1.6
85.06541	7.9
90.10740	1.5
91.05470	16.4
93.07021	48.1
95.08583	100.0
97.06492	1.5
97.10149	7.2
105.07012	35.2
107.08569	57.7
109.10149	43.5
114.37846	1.6
117.06985	7.6
119.08554	33.0
121.10120	49.0
123.11682	23.2
129.06976	2.5
131.08548	21.5
133.10107	21.9
135.11670	42.1
137.13226	21.0
143.08540	10.6
145.10100	25.7
147.11670	32.8
149.13243	33.7
156.66077	1.5
157.10097	12.3
159.11662	16.0
161.13217	17.6
163.11160	2.4
163.14735	10.6
169.10187	1.6
171.11670	9.2
173.13249	10.0
175.14799	6.2
177.12659	5.1
177.16364	2.2
185.13200	13.3
187.14825	15.2
189.12804	2.6
189.16463	5.3
191.14328	7.1
191.17917	20.5
197.13171	1.7
198.18567	2.4
199.14767	2.6
201.16275	3.0
203.14305	8.2
203.17928	3.0
205.15891	8.2
205.19504	33.6
213.16412	2.2
215.14334	2.3
215.17860	1.9
217.19572	6.2
225.16492	1.5
227.17979	2.8
241.19366	2.0
243.17397	1.8
253.19426	1.8
296.55099	1.6
377.31992	8.3
395.33109	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	395.3304
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
55.05499	12.7
58.92899	3.2
59.74071	2.6
67.05473	20.9
69.07040	15.3
73.16927	3.0
79.05452	7.4
81.07026	43.0
83.08602	4.9
91.05436	11.4
93.07009	47.6
95.04954	4.0
95.08575	100.0
97.10120	3.2
105.07014	35.1
107.08564	67.4
109.06470	5.1
109.10137	38.1
117.06980	4.1
119.08569	44.6
121.10089	43.3
123.08050	3.9
123.11685	18.0
131.08537	18.3
133.10081	34.1
135.11606	25.3
143.08524	5.0
145.10110	27.5
147.11652	69.0
149.13211	16.8
157.10103	20.0
159.11636	29.1
161.13226	27.3
163.14778	17.3
165.12708	27.8
171.11653	6.5
171.92458	2.9
172.17274	3.3
173.13202	16.4
175.14844	11.1
179.14236	27.5
185.13240	7.1
187.14769	17.2
189.16364	6.1
191.18008	4.1
199.14720	4.4
201.16370	5.5
203.14351	5.0
203.17903	14.4
205.15825	20.0
215.17897	3.7
217.19504	6.1
227.17905	5.0
229.19406	11.4
239.17903	5.3
243.20906	4.3
253.19524	3.8
255.21112	3.7
303.66483	3.6
325.25192	4.8
377.31940	29.7
389.82642	3.4
395.33011	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3305
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
53.03923	0.9
55.05510	10.5
57.03432	1.3
57.07063	6.1
62.17004	0.7
67.05489	10.4
69.06702	1.4
69.07049	18.4
71.08601	1.9
79.05479	12.1
81.07042	31.2
82.56931	0.9
83.08593	5.0
83.09029	0.7
89.05993	1.2
90.30988	0.8
91.05460	11.2
92.08694	1.7
92.09190	1.7
93.07021	30.5
95.04943	1.9
95.08580	42.2
97.06485	1.2
97.10143	7.9
104.84722	0.8
105.07014	32.6
107.08573	43.6
108.15108	0.7
109.10144	22.5
111.08009	0.9
111.11702	1.6
117.07010	9.9
119.08555	36.1
121.10121	25.0
123.08038	1.1
123.11695	10.6
128.06213	1.2
129.06966	6.5
131.07634	1.4
131.08545	21.5
133.10107	20.0
135.11670	16.4
137.13223	3.3
141.05846	0.9
141.06937	1.5
142.07706	1.3
143.08530	15.3
145.10112	35.1
147.11670	22.1
149.13255	11.9
152.61494	0.8
153.12706	0.9
155.08528	4.3
156.09346	1.9
157.10107	21.5
158.10867	1.5
159.11662	22.4
161.13210	14.6
163.14764	15.1
165.12712	6.7
169.10104	7.3
170.10899	1.1
171.11662	17.4
173.13226	26.7
175.14799	14.3
177.16339	1.9
179.14253	4.7
183.11629	5.7
185.13179	11.9
186.14017	1.0
187.14810	13.2
189.16354	10.4
191.17911	1.8
197.13258	1.6
199.14774	8.5
201.16389	10.0
203.17900	7.2
205.15825	7.5
209.13194	1.0
211.14793	3.5
213.16335	11.2
214.59802	0.9
215.17905	18.4
215.19939	1.0
217.19485	5.1
225.16364	4.9
227.17909	21.7
229.19455	13.9
231.20949	1.1
239.17867	10.2
240.18430	0.9
241.19449	31.4
243.21037	18.4
253.19434	10.3
255.20972	14.3
267.21045	3.7
269.22549	1.1
281.22592	4.1
293.22437	1.3
307.24265	1.0
321.25629	1.0
334.73083	1.0
335.27231	1.0
353.34982	0.9
377.31940	24.6
395.32996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3305
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
53.03914	0.9
55.05504	9.3
57.07063	2.0
57.79114	0.8
65.50850	0.7
66.83517	0.7
67.05486	9.8
69.07057	16.7
76.56302	0.8
79.05475	12.0
81.06606	1.4
81.07041	28.2
83.08593	6.1
91.05466	12.7
93.07023	33.1
95.04948	1.2
95.08005	1.9
95.08580	40.8
97.06493	0.9
97.10139	4.2
105.07012	28.4
107.08573	43.1
109.06458	1.1
109.10131	24.2
111.08061	1.3
117.07019	8.3
119.08549	28.2
121.10116	23.9
123.11684	8.2
128.06204	1.2
129.06976	6.9
131.08545	20.8
133.10103	16.7
135.11676	16.1
137.13223	4.1
139.11098	0.9
143.08540	14.3
144.09143	0.9
145.10101	31.9
147.11664	20.8
149.13231	18.4
151.14772	1.3
153.12775	1.2
155.08516	5.1
156.09286	1.6
157.10092	17.5
158.10912	1.3
159.11662	18.7
161.13225	14.8
163.14777	20.3
165.12695	5.8
169.10036	5.9
170.10794	1.0
171.11644	15.6
173.13228	31.4
175.14783	15.2
177.16351	3.5
179.14255	1.6
183.11644	4.7
183.74008	0.8
185.13147	11.7
187.14783	17.5
189.16350	13.4
191.14249	1.3
191.17976	4.0
197.13210	5.3
199.14824	11.7
201.16351	7.8
203.14235	0.9
203.17889	6.4
205.15874	8.2
205.17567	0.8
209.13226	1.2
211.14743	3.3
212.15495	1.3
213.16360	14.4
215.17917	22.3
217.19551	4.4
223.14850	1.1
225.16367	4.7
226.17143	1.1
227.17929	19.7
229.19510	11.5
231.20961	1.3
239.17891	12.7
241.19444	31.1
243.21048	18.9
253.19409	9.6
255.20958	15.7
256.18582	0.9
267.20944	5.1
269.22705	1.4
279.20889	0.9
281.22507	4.3
293.22647	1.4
307.24167	1.5
321.25858	1.9
335.27194	1.1
377.31979	28.1
395.32986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3305
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
54.50932	3.2
54.81660	3.9
55.05491	14.5
57.07071	4.4
58.89193	3.3
63.12621	3.4
67.05483	25.2
69.07047	19.9
78.24608	3.3
79.05494	7.4
81.07034	30.2
83.08589	3.9
89.05963	6.1
91.05473	17.4
91.26414	3.7
93.07021	47.5
95.08585	100.0
95.41838	3.5
97.10192	4.1
105.07011	29.8
107.08591	44.9
109.10139	17.7
112.07550	6.0
117.06986	5.5
119.08539	40.7
121.10116	22.4
123.11702	8.5
129.03421	4.0
131.08533	21.8
133.10152	31.8
135.11673	18.1
142.07758	4.4
143.08543	8.9
144.74495	4.2
145.10117	33.3
147.11647	23.0
157.10117	20.6
159.11639	26.0
161.13213	15.8
163.14857	15.7
165.12613	4.3
169.10127	7.2
171.11632	17.3
173.13220	15.1
175.14787	17.6
183.11769	4.9
185.13144	8.0
187.14778	9.1
189.16353	7.5
199.14760	6.7
201.16312	6.5
213.16264	5.1
215.17903	6.4
227.17833	7.4
229.19452	9.1
233.37849	3.9
239.17859	5.1
241.19441	18.6
243.21132	16.6
253.19604	4.7
255.21028	5.8
343.78424	5.2
377.31873	22.4
395.33023	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	395.3306
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
53.03934	1.1
55.05507	12.3
57.07056	5.8
67.05505	14.7
69.07055	20.7
71.08610	3.3
76.56459	1.3
79.05479	17.5
81.07043	36.0
83.08601	5.0
88.37762	1.2
89.06014	2.7
91.05462	15.7
92.09309	1.9
93.07028	34.6
95.04942	2.1
95.08588	46.1
96.07689	1.2
97.06512	2.3
97.10126	6.0
105.07013	27.1
107.08580	50.2
109.10140	25.4
111.08061	1.4
114.36843	1.7
117.06995	9.7
119.08564	36.9
121.10112	24.8
123.11738	9.8
129.06998	5.2
131.08540	23.7
133.10095	21.5
135.11676	20.6
137.13231	2.3
142.07709	1.8
143.08553	16.3
145.10114	37.2
147.11690	24.7
149.13268	15.5
155.08501	3.1
157.10091	25.4
158.10863	1.7
159.11644	19.7
161.13254	14.0
163.14789	14.0
165.12778	5.7
169.10117	6.1
171.11635	20.4
173.13210	27.6
173.23050	1.4
175.14722	12.7
177.16347	2.2
179.14293	2.6
183.11668	6.5
185.13177	11.6
187.14809	22.7
189.16380	7.7
191.17876	2.9
195.12244	1.5
197.13264	2.1
198.18413	1.8
199.14748	12.8
201.16347	11.6
203.17932	8.6
205.15881	6.6
211.14793	5.0
213.16370	14.5
215.17941	22.8
217.19531	3.0
225.16319	3.2
227.17914	19.5
229.19461	11.3
239.17859	11.4
241.19464	26.3
243.21007	17.8
253.19492	10.2
255.20972	13.9
269.22537	1.9
281.22729	2.6
377.31995	28.1
395.33011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.279
Annotation	Tylactone
Peak:m/z	Relative Intensity
50.41544	7.6
52.71165	8.0
53.47008	8.1
55.05497	15.7
56.51153	7.6
58.21564	10.1
67.05479	54.4
68.23839	7.7
69.07034	10.1
79.05463	43.7
81.07038	78.9
85.06518	12.9
86.94052	10.1
91.05460	22.7
92.09355	11.3
93.07019	74.0
95.08576	71.8
97.06498	17.9
98.49742	8.8
105.07014	100.0
106.31148	8.8
107.08569	59.1
109.10137	36.8
111.08079	12.2
117.07006	21.4
119.08559	72.3
121.06481	17.0
121.10081	16.1
123.08005	17.6
131.08537	59.0
133.10114	52.0
135.08008	36.4
137.09613	55.8
143.08549	41.4
145.10109	87.6
147.11674	22.9
149.09552	14.4
155.08463	16.9
157.10080	58.3
159.11667	43.2
161.13315	15.9
169.10098	41.6
170.31528	10.4
171.11760	40.2
183.11737	10.9
185.13298	12.6
187.11101	21.1
195.11699	11.0
197.13191	15.4
199.14790	15.6
202.97246	11.7
203.14363	11.6
207.69330	8.8
211.14680	12.9
213.12880	9.5
214.43661	10.0
214.45692	10.6
225.12662	11.6
231.74910	10.1
237.16362	42.1
243.17332	12.4
251.17938	38.7
269.18781	12.6
277.19473	43.6
295.20511	75.4
313.21637	13.1
315.23132	13.6
327.23022	95.7
343.06506	10.2
345.24298	20.6
359.25720	42.2
377.26782	88.3
395.28268	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.0
56.28503	0.2
56.96547	0.7
60.87515	0.2
62.95382	0.3
69.03400	0.3
72.63010	0.3
73.17995	0.3
79.05459	0.3
80.45095	0.3
81.03394	0.4
83.04955	0.4
83.08608	7.3
84.08183	0.5
85.02895	1.6
89.03899	1.7
95.04911	0.5
97.02859	0.4
100.11230	100.0
101.11519	0.3
105.06973	0.3
107.04878	0.4
117.03369	0.7
117.13846	0.5
120.08142	0.4
125.00497	0.3
127.07503	1.1
135.04395	3.4
139.08675	1.0
145.02806	1.8
145.04922	0.3
153.05464	0.6
161.01222	0.5
163.03867	8.0
164.04236	0.6
169.07489	0.3
192.05035	0.3
197.08136	0.3
209.16461	15.9
212.66808	0.3
213.00812	0.4
227.17497	48.4
255.01595	0.6
273.02768	0.6
395.09424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.05489	3.5
57.03428	39.8
57.43418	1.9
59.04980	9.9
67.05481	3.2
69.03413	100.0
69.04499	2.7
69.07044	5.7
71.04968	2.9
74.06065	2.0
75.04492	4.7
79.05460	4.4
81.03381	2.5
81.07023	2.7
82.67402	2.4
83.04971	39.2
85.02888	70.4
85.06519	3.4
86.75417	2.3
87.04448	59.1
91.05408	3.8
95.04987	7.6
97.02866	69.9
101.06002	37.0
105.07047	3.2
107.08588	3.0
110.99034	4.7
115.03155	3.4
115.03916	57.9
121.06460	2.5
127.03883	3.1
133.04947	51.0
141.00035	3.1
145.04895	3.2
151.03894	2.9
197.01236	2.4
197.11777	3.3
215.08946	2.8
216.03015	3.4
225.29050	2.3
232.07124	5.6
245.09860	2.5
395.13162	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1309
Annotation	SB 242084
Peak:m/z	Relative Intensity
55.05508	0.7
56.96545	0.7
57.74409	0.5
67.05476	0.7
69.03407	1.5
79.05499	1.0
81.03398	0.9
81.07041	0.8
81.88049	0.6
85.02883	2.8
91.05464	0.8
92.64048	0.6
93.07005	1.6
95.04934	1.1
95.08543	1.0
97.02879	0.9
105.06994	2.7
109.10128	0.8
110.73512	0.7
117.07033	0.7
121.06519	1.1
133.10046	0.7
151.03880	0.8
153.09004	0.8
179.10713	1.1
185.04224	3.5
197.11736	0.8
216.02745	0.8
217.04729	1.2
232.04842	1.3
232.07010	17.2
233.07837	6.6
298.84525	0.7
309.40656	0.7
395.13037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08858	2.4
60.92208	2.5
65.77831	2.6
68.61101	2.3
69.23127	2.4
72.17397	2.4
76.72352	2.3
92.08902	12.7
124.37361	2.6
151.96645	2.9
275.06210	3.2
395.09406	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	394.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
53.44100	0.1
54.45808	0.1
55.01846	2.4
55.05492	1.2
57.03416	0.2
63.23394	0.1
69.03412	1.2
72.08134	0.3
79.05469	1.1
81.07037	10.5
85.02883	2.2
86.09686	1.0
89.24451	0.2
90.66103	0.1
91.05471	0.3
93.07014	1.0
95.04954	0.3
97.02876	0.6
97.06499	0.3
99.04438	0.7
105.03336	0.3
105.07030	1.5
107.08598	0.9
109.02837	0.2
109.06501	6.9
109.10144	1.7
111.04360	0.3
112.20586	0.1
119.08527	1.1
120.08098	0.7
121.06508	0.4
123.08046	0.2
125.05044	0.3
125.05962	7.0
127.03900	2.4
127.85387	0.2
128.06229	0.2
129.04359	0.1
133.10092	2.8
137.05952	100.0
137.09531	4.0
138.06314	0.3
143.08514	1.1
150.02679	0.1
151.11169	0.3
153.35948	0.1
161.09579	4.9
179.10629	30.0
197.11688	30.3
204.45264	0.2
215.12776	0.2
260.56558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60642	0.4
53.03926	1.1
54.81991	0.5
55.01855	0.9
57.03417	2.5
58.27470	0.4
59.00652	0.4
61.02900	2.4
65.03914	1.1
67.05486	0.5
69.03408	4.8
71.04962	0.6
73.02875	0.8
74.21696	0.4
79.05473	7.0
81.03402	1.1
81.07033	6.6
81.34813	0.5
85.02885	14.2
91.05455	15.8
94.04160	2.9
95.04942	2.7
97.02841	4.4
105.03370	2.4
107.04935	3.0
109.02857	0.7
109.06497	36.0
110.62126	0.4
115.99035	0.6
119.04910	12.7
122.03574	1.9
123.04379	0.9
127.03896	2.5
133.02820	10.5
135.04381	2.0
137.05949	100.0
140.04646	0.5
145.04964	0.8
146.72858	0.5
146.74072	0.5
147.04387	20.7
149.02289	0.5
150.02699	0.6
151.07591	0.6
153.05417	2.0
154.06195	2.0
154.95544	0.5
165.05434	35.9
167.07019	2.1
169.04932	0.9
179.06982	12.6
180.08620	0.6
181.08705	0.5
197.08054	67.4
203.94356	0.5
214.61801	0.5
219.80795	0.7
275.71170	0.5
288.65680	0.6
326.49689	0.6
379.12582	0.5
393.13358	2.2
394.14001	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	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43154	0.4
53.03920	0.9
53.52103	0.3
54.81595	0.3
55.01848	1.8
55.93478	0.4
57.03415	1.8
59.23608	0.3
61.02899	2.2
65.03918	0.9
66.05999	0.3
69.03419	5.4
71.04984	0.5
72.29398	0.4
72.93780	0.5
73.02879	0.9
79.05475	6.1
81.03391	2.1
81.07034	5.7
85.02888	14.2
90.94805	0.5
91.03889	0.5
91.05456	15.4
94.04171	2.9
95.04926	2.6
97.02853	4.1
99.04413	0.5
99.11507	0.4
102.59253	0.4
104.95834	0.3
105.03369	2.6
107.04944	3.0
109.02838	0.8
109.06501	34.8
110.16858	0.4
119.04127	0.7
119.04919	11.9
119.05891	0.5
119.06105	0.5
122.03623	1.9
123.04392	0.6
125.05906	0.4
127.03899	1.5
130.69746	0.5
133.02840	10.4
135.04410	1.0
137.05954	100.0
145.04936	1.0
147.04384	19.3
150.02664	0.5
151.07564	0.5
153.05458	2.0
154.06223	0.6
165.05443	36.9
167.06964	1.0
169.04968	0.9
179.06989	10.1
180.08629	0.6
197.08058	65.7
293.35757	0.4
321.47046	0.4
331.63412	0.5
393.13672	3.1
394.13898	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	393.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96934	3.3
55.05500	7.0
57.03435	4.8
57.07064	76.0
64.49604	3.4
67.05489	15.9
69.07060	9.3
71.08607	40.8
78.36507	3.3
81.07042	24.5
83.08613	8.8
85.10165	13.8
91.68463	3.6
92.09236	20.5
95.08576	33.6
97.10170	4.6
98.98445	96.7
102.79977	3.7
105.07010	4.6
107.08589	4.8
109.10133	15.3
121.02824	4.0
122.03194	4.7
123.11701	6.2
143.08473	3.7
149.02301	89.5
149.03290	5.3
150.02637	64.8
151.02901	5.0
151.11198	3.9
155.01013	100.0
157.10114	3.7
161.20972	4.2
189.16327	4.3
205.93391	3.9
222.90143	3.7
239.23663	7.7
297.21954	7.6
346.18057	4.6
376.25839	6.3
393.31067	4.4
416.10928	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
57.07067	1.0
67.05492	1.2
67.64109	0.5
68.05009	2.1
69.03419	1.0
69.07041	1.3
71.04984	1.3
71.08599	2.1
76.56632	0.6
79.05470	2.5
81.07036	5.2
82.45911	0.5
83.04982	0.9
84.02984	0.5
84.50893	0.5
85.10663	0.5
93.07026	3.1
95.04942	0.7
95.08591	2.9
105.07005	2.3
107.08580	3.1
109.10149	1.1
119.08576	0.7
121.02871	0.7
121.10105	1.0
130.05013	0.7
131.08536	0.9
133.10057	0.6
135.11684	0.9
137.05965	0.9
140.03433	0.7
145.10094	0.8
149.02318	13.3
149.04581	1.1
150.02646	7.6
151.02817	0.7
151.03899	3.2
157.10049	0.6
159.11742	1.0
187.22118	0.5
189.06387	0.8
197.08223	0.9
201.06450	1.2
202.07286	3.0
203.08009	2.2
204.08800	6.9
207.49821	0.7
215.08064	2.9
216.08765	100.0
217.09537	2.7
218.10260	6.6
225.06415	12.8
226.07196	3.4
227.07919	0.9
230.10320	11.9
240.08746	62.5
241.09479	1.2
246.09787	8.7
258.09824	1.2
268.08237	5.9
272.11285	4.4
283.09369	0.7
300.10849	34.6
300.14282	1.4
311.08716	0.7
333.12952	0.8
361.12457	2.5
375.14053	3.2
393.15091	22.0
406.91931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.90337	0.3
55.01857	1.6
57.03423	0.6
57.06811	0.4
57.07067	7.6
58.06891	0.3
58.07391	0.4
61.02896	1.5
65.03915	0.7
69.03412	2.8
71.04959	0.4
71.08614	5.4
71.81736	0.4
72.08131	0.5
73.02867	0.7
79.05485	3.6
79.44231	0.4
81.03387	0.8
84.04512	0.3
85.02420	0.5
85.02889	10.0
86.09692	0.7
87.04433	0.5
90.19795	0.4
91.05445	2.3
93.07008	0.6
95.04971	3.0
97.02864	3.7
99.04438	0.5
103.05445	5.4
105.03365	0.4
105.07017	6.4
107.04935	53.8
107.08572	2.3
109.02818	0.6
110.03647	0.3
111.04421	0.8
115.05423	3.5
116.06305	0.4
117.06983	1.7
119.04923	0.6
120.05711	0.8
120.08197	0.4
121.02815	3.6
121.06438	0.4
121.10000	0.3
124.05152	0.7
125.05975	0.7
127.03861	0.5
131.04887	0.8
135.08015	18.5
137.05951	1.7
137.09595	0.7
139.03920	0.6
145.04901	0.8
145.07578	1.7
147.04362	0.5
149.02315	67.4
150.02644	12.2
153.05450	0.5
154.06223	8.6
163.07501	29.4
165.05402	0.7
167.03349	4.0
167.06995	29.8
177.09172	0.4
180.07681	5.0
195.10126	100.0
198.08858	1.5
213.11171	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	392.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
55.05488	0.3
55.47187	0.3
56.05019	1.6
57.03417	2.5
57.07066	7.9
61.01133	0.4
61.02910	1.0
65.03916	0.9
67.05484	0.6
68.79226	0.4
69.03421	3.0
70.06561	0.6
70.35841	0.4
71.04976	0.5
71.08620	6.4
72.08944	0.8
79.05482	3.9
81.03379	0.7
84.04490	0.7
85.02899	8.1
86.09698	1.6
91.05451	2.6
93.07023	0.8
95.04949	3.1
97.02858	2.3
103.05440	4.6
104.05296	0.9
105.07009	8.8
107.04944	39.4
107.08569	3.5
111.04424	1.0
115.05435	2.8
117.06976	2.7
119.04884	0.5
119.08511	0.8
120.05676	1.8
120.08089	0.6
121.02832	4.4
121.06491	7.9
121.10124	0.6
123.04412	1.5
123.08031	0.6
125.09557	0.8
127.03903	0.8
129.27718	0.4
131.04892	0.7
131.08551	0.5
132.10162	0.6
133.06497	0.5
135.08032	31.2
137.05956	3.7
138.06754	4.1
139.03821	0.4
140.04695	0.6
145.06470	0.5
145.07536	0.7
146.07242	3.1
147.07970	0.5
148.05159	0.6
149.02325	72.2
149.09596	2.1
150.02658	14.3
151.07549	2.3
153.09076	0.9
154.06253	3.8
155.07022	0.6
162.06729	2.9
163.07507	31.8
167.03407	3.7
167.06999	23.6
167.08368	1.0
168.03641	0.6
169.04863	0.9
177.09106	4.7
179.38551	0.5
180.07722	5.1
195.10138	100.0
213.11182	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	392.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.5
57.07073	3.3
57.57921	0.3
61.02908	0.6
62.87234	0.3
65.03909	2.8
69.03414	1.6
71.08604	3.3
81.03407	0.6
81.29395	0.3
85.02889	7.2
91.05446	3.7
93.03383	8.0
97.02870	2.1
98.44846	0.3
110.03661	0.6
111.04431	14.6
119.04915	4.8
121.02799	1.5
125.05968	29.5
127.03941	0.8
142.63329	0.3
145.04922	0.4
147.45351	0.3
149.02319	30.3
150.02632	5.3
151.07510	0.6
153.05444	100.0
159.76628	0.4
167.03374	2.0
168.03683	0.4
177.05414	0.4
180.08580	0.6
195.06493	50.8
333.91092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.4
53.03956	0.5
54.81547	0.5
55.01861	0.9
55.02812	0.4
55.05495	2.2
55.51249	0.5
57.03410	0.4
57.07066	8.0
65.03925	1.8
65.23899	0.4
65.56203	0.4
65.65261	0.4
67.05484	4.3
69.03414	0.8
69.07058	1.9
71.08616	8.8
79.05476	19.0
81.07040	7.0
83.04957	0.9
91.05460	13.9
92.09190	1.2
93.03374	0.5
93.07024	10.0
95.04953	1.9
95.08572	6.4
97.06513	2.1
98.44813	0.4
105.07014	23.5
107.04955	0.6
107.08578	49.7
109.06516	2.9
109.10127	2.0
111.08065	0.4
115.05424	0.9
117.06997	8.8
119.08560	10.9
121.02855	4.0
121.06536	1.4
121.10129	4.7
123.11684	0.6
125.05962	0.5
128.06252	1.1
129.06987	5.1
130.07738	3.1
131.08543	24.1
133.10112	8.3
133.11035	0.7
135.08069	0.7
135.11702	3.2
137.05936	0.5
141.06989	1.0
142.07758	0.9
142.68665	0.4
143.08536	8.6
144.09290	0.6
145.06491	2.1
145.10110	35.1
147.08058	1.0
147.11668	11.9
149.02325	100.0
149.09604	3.5
149.13199	0.6
154.07742	0.8
155.08559	2.0
157.10100	6.2
158.07201	0.7
159.08012	2.4
159.11676	9.8
161.09628	3.9
161.13252	1.8
163.07558	0.6
163.11066	1.1
165.12715	1.0
167.03380	5.1
169.10094	2.8
171.11633	4.0
173.09595	14.7
173.13226	1.1
175.11104	4.6
177.12730	3.0
183.11731	2.2
185.09683	0.5
185.13216	1.1
187.07538	0.6
187.11203	3.7
189.09039	0.7
189.12709	1.0
191.10652	8.1
191.14310	2.3
193.10262	0.8
197.09598	1.0
197.13214	2.0
199.14812	0.6
201.12645	0.5
203.10625	0.6
209.13223	0.6
211.14915	0.9
215.10658	1.9
223.38509	0.5
238.49422	0.5
250.76563	0.5
251.18181	0.6
253.19449	7.4
258.10922	0.5
271.20526	5.5
291.21191	0.8
296.81845	0.5
309.22180	0.9
314.04434	0.6
319.20358	3.7
337.21548	14.1
353.78934	0.5
355.22565	15.9
373.23727	8.7
391.24689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33627	0.4
55.01852	1.3
55.05501	1.0
57.07068	10.6
59.08678	0.4
65.03930	1.1
67.05485	5.0
69.05781	0.5
71.08612	8.9
75.09464	0.5
79.05472	17.8
81.07043	7.7
83.08623	0.6
91.05454	13.3
93.07024	10.3
94.23527	0.6
94.86228	0.5
95.04948	2.5
95.08586	9.8
97.06496	5.1
105.07013	22.6
107.08572	36.1
109.06519	3.1
109.10141	2.5
111.04495	0.7
117.06994	10.6
117.20663	0.6
118.89185	0.6
119.08541	9.1
121.02886	4.7
121.03670	0.5
121.06445	1.3
121.10132	4.0
122.98219	0.6
125.06068	0.6
128.06180	2.3
129.06972	4.3
130.07790	4.7
131.07529	0.8
131.08536	24.5
133.10100	8.2
135.08041	1.1
135.11687	2.9
141.06981	1.3
142.07742	1.1
143.08539	9.0
144.09251	0.9
145.06430	2.5
145.10094	36.0
145.11212	1.2
147.08026	2.1
147.11661	9.0
149.02316	100.0
149.09608	2.8
149.13280	1.1
154.07709	0.9
155.08562	3.2
157.10124	6.2
158.07214	1.0
158.10661	0.6
159.07988	0.7
159.11665	15.6
161.09567	5.2
161.13228	1.4
163.11150	1.0
165.12756	1.4
167.03337	5.1
168.67419	0.6
169.10130	3.6
171.08093	0.6
171.11641	4.9
173.09590	16.9
173.13229	1.5
175.11101	4.5
177.12732	1.3
181.10019	0.8
183.11687	3.9
185.09456	0.6
185.13170	2.4
187.11180	4.4
189.12746	0.7
191.10648	5.5
191.14268	0.9
193.09966	0.7
195.11652	1.0
197.13205	1.4
209.15247	0.7
211.11201	0.8
211.14899	1.2
225.12672	0.9
251.17726	0.6
253.19487	6.4
271.20532	9.9
291.20993	1.1
309.22040	1.1
319.20480	2.7
327.23212	1.0
337.21533	11.6
355.22592	20.2
356.53284	0.6
373.23660	11.7
374.24036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2474
Annotation	Latanoprost acid
Peak:m/z	Relative Intensity
53.03931	0.7
55.01855	2.7
55.05492	4.2
57.07061	5.6
65.03915	2.6
65.90510	0.6
67.05489	9.1
69.03404	0.9
69.07051	0.9
71.08607	5.9
73.68803	0.6
74.73238	0.6
79.05473	43.9
81.03375	1.2
81.07034	13.9
83.04990	2.0
83.08609	0.9
91.05453	28.4
93.07023	19.5
95.04952	1.6
95.08576	13.4
97.06488	4.4
105.07011	52.9
107.04930	2.9
107.08573	100.0
109.06480	6.8
109.10143	3.7
115.05457	1.4
117.06991	20.2
119.06051	1.0
119.08560	20.0
121.02844	3.5
121.06467	2.7
121.10124	9.2
123.08030	2.9
125.05944	0.8
128.06166	3.6
129.06976	8.0
130.07741	5.6
131.04938	1.0
131.08545	53.6
133.06442	1.1
133.10118	15.1
135.08005	3.2
135.11668	5.6
137.09637	0.9
141.06972	2.7
142.07753	3.1
143.08536	17.6
144.09297	0.8
145.06432	3.9
145.10100	72.8
147.04373	0.8
147.08020	2.9
147.11650	18.8
147.76418	0.6
149.02315	75.5
149.05927	1.5
149.09590	9.0
149.13231	0.9
151.11087	0.8
154.07721	0.8
155.08540	4.8
156.09166	0.7
157.10089	12.9
157.40080	0.7
158.07257	2.5
159.08035	6.0
159.11653	22.6
161.09578	8.4
161.13182	1.5
163.07599	0.9
163.11142	3.5
165.12746	4.0
167.03299	4.2
169.10083	6.2
171.11632	8.9
173.09581	37.6
173.13185	4.5
175.11160	10.1
177.09088	0.8
177.12709	5.7
181.10052	1.0
183.11642	4.1
185.09499	1.1
185.13225	3.6
187.11163	7.8
187.14717	0.8
189.09024	1.6
189.12735	3.3
191.10628	16.8
191.14200	5.2
193.12013	0.7
195.11671	2.6
197.09648	0.9
197.13243	4.7
199.14900	1.0
201.12675	1.5
203.10603	1.3
209.13266	1.3
209.15204	1.6
211.11201	0.9
211.14792	1.1
213.12581	1.0
215.10593	3.7
215.14240	0.9
221.13200	1.0
225.12668	0.8
229.12151	1.3
235.14708	1.0
241.15704	1.0
253.19487	15.5
255.13809	0.8
271.20511	15.9
277.19339	1.1
289.21634	1.4
291.21027	3.2
301.19385	1.2
309.22092	1.2
313.21628	1.0
319.20557	8.4
327.23151	1.1
328.51657	0.7
335.00336	0.7
337.21552	29.2
355.22583	39.9
359.28647	0.7
373.23718	20.1
391.24451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2474
Annotation	Parvisporin
Peak:m/z	Relative Intensity
54.61234	1.4
55.05483	1.8
57.07056	8.6
62.65469	1.3
65.03915	1.7
67.05490	5.8
71.08601	10.9
79.05478	12.1
81.07032	14.1
91.05445	8.1
93.07037	13.4
95.08588	7.6
100.09507	1.7
100.10213	1.6
105.07014	17.1
107.04920	2.1
107.08558	13.4
107.32889	1.5
109.06498	4.0
109.10144	2.2
111.04425	2.0
113.85738	1.5
117.06996	3.6
117.34009	1.5
119.08559	9.4
121.02792	3.4
121.10120	6.1
125.05962	20.7
126.06277	1.7
129.06998	2.7
131.08553	8.9
133.10095	7.9
135.07935	1.5
135.11635	2.8
143.08511	7.5
145.10075	11.4
147.11592	5.8
149.02322	100.0
153.05453	8.1
154.07764	2.0
155.07068	2.7
155.08542	2.6
157.10144	3.3
159.08153	1.7
159.11702	11.3
161.09622	1.9
161.13245	3.5
167.03406	6.4
171.11600	2.8
173.09627	1.9
175.14783	1.7
183.11551	1.8
185.13240	2.1
190.07623	1.7
192.17665	1.6
195.29515	1.7
199.14874	2.0
201.16379	9.8
201.54051	1.5
213.16333	2.3
225.16570	1.9
229.66649	1.7
337.21472	15.8
355.22488	27.0
373.23590	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	391.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81630	1.2
55.01870	1.9
55.05495	2.3
59.33155	1.1
60.59660	1.2
67.05497	7.8
68.90559	1.0
69.03410	2.0
69.68296	1.0
79.05473	39.0
81.07048	16.3
83.05024	1.6
83.08629	1.9
91.05457	29.2
93.07034	21.1
95.04927	2.6
95.08577	12.8
97.06519	2.6
103.05344	1.5
105.07014	53.6
107.04980	3.1
107.08578	100.0
109.06494	5.4
109.10149	2.0
115.05463	1.5
116.53925	1.4
117.06960	16.9
119.08553	19.4
121.06523	2.5
121.10136	8.5
123.08042	1.8
125.43682	1.2
128.06242	2.4
129.06953	9.3
130.07764	3.0
131.08549	43.7
133.10109	18.8
135.11676	6.7
142.07773	3.0
143.08557	17.4
145.08974	3.0
145.10109	82.3
147.08022	2.2
147.11661	21.7
149.02356	5.9
149.09607	9.0
149.13196	1.9
153.06963	1.3
155.08536	5.8
157.10071	13.9
158.07249	1.7
159.08052	6.6
159.11649	22.7
161.09604	6.7
161.13211	2.6
163.07599	1.4
163.11209	1.9
165.12752	2.5
169.10107	7.5
171.08073	2.0
171.11664	9.2
173.09589	32.7
173.13245	2.9
175.11176	11.4
175.77248	1.2
177.12727	7.0
183.11673	5.5
185.13206	1.3
187.11185	8.9
189.12740	2.6
191.10649	19.9
191.14268	2.1
197.13258	3.2
201.12762	1.5
203.10568	1.5
215.10698	2.3
217.12102	1.4
217.81422	1.3
253.19411	12.6
267.91431	1.4
271.20520	15.1
289.21579	2.3
301.19424	1.9
309.22165	3.0
319.20422	11.3
337.21573	31.8
355.15695	1.3
355.22586	39.4
373.23721	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01848	1.8
55.05494	4.3
57.07061	11.2
65.03929	1.8
67.05492	8.7
69.07037	1.2
71.08611	7.4
79.05477	37.2
80.92768	0.9
81.07036	18.4
83.04947	1.6
83.08619	1.1
86.40360	0.9
91.05460	28.6
93.07019	25.2
95.04924	3.2
95.08588	12.3
97.06512	3.8
103.05428	1.0
105.07014	47.8
107.04882	3.6
107.08577	100.0
109.06495	7.5
109.10159	2.0
111.04440	1.2
115.05426	1.3
117.06988	20.8
119.08559	21.9
121.02825	5.8
121.06461	4.8
121.10137	9.8
128.06163	3.9
129.06958	8.7
130.07767	5.4
131.08546	53.8
133.06462	1.9
133.10109	17.3
135.08060	2.4
135.11665	5.7
141.06938	1.9
142.07779	4.1
143.08545	19.5
144.09230	1.1
145.06459	4.9
145.10101	77.9
147.08011	4.0
147.11670	24.3
149.02316	92.9
149.09610	8.3
149.13266	2.3
155.08522	5.0
157.10094	12.1
158.07222	2.3
159.08060	4.4
159.11655	21.7
161.09596	7.6
161.13208	4.8
163.11111	4.5
165.12706	4.5
167.03348	5.0
169.10112	7.4
171.08005	1.5
171.11655	10.3
173.09586	30.5
173.13191	3.8
175.07472	1.3
175.11139	11.4
177.12729	6.0
181.10094	2.0
183.11694	6.2
184.41344	1.1
185.09645	1.5
185.13277	4.1
187.11203	6.9
189.09125	1.8
189.12692	4.0
189.48560	0.9
191.10655	15.5
191.12244	1.6
191.14267	5.2
195.11760	3.4
197.13211	5.8
199.14751	1.1
201.12718	1.7
203.10686	1.8
207.11469	1.1
209.13170	1.4
211.11180	1.2
211.14864	1.3
212.65460	1.0
215.10709	4.7
229.12357	3.7
243.13800	1.7
251.17766	1.3
253.19484	16.2
271.20547	14.7
277.19431	1.5
289.21750	2.2
291.20929	2.1
295.20349	1.4
309.22052	3.8
319.20413	6.5
327.23077	1.0
337.21555	34.5
355.22620	40.6
373.23657	26.0
391.24606	1.7
400.57178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2475
Annotation	Parvisporin
Peak:m/z	Relative Intensity
53.00288	0.3
55.01864	0.3
55.05493	1.6
57.07066	8.7
65.03924	1.5
67.05492	3.7
69.07056	0.3
71.04964	0.4
71.08247	0.5
71.08614	10.1
79.05474	3.7
81.07028	4.3
83.04958	0.6
83.08601	1.1
91.05459	3.5
92.08723	0.3
92.09194	0.3
93.03346	0.6
93.07025	4.4
95.04958	2.0
95.08579	4.8
97.06495	1.5
100.11259	0.3
105.07021	4.9
107.04951	0.6
107.08590	5.6
109.06480	0.6
109.10127	2.3
111.04410	2.6
113.05990	0.7
117.07006	1.3
119.08548	3.8
121.02844	4.8
121.03846	0.4
121.06464	1.4
121.10117	2.6
123.04401	0.6
123.08044	1.1
123.12567	0.3
125.05987	3.5
129.06935	0.6
131.08548	3.5
131.23967	0.3
133.06448	0.3
133.10112	2.6
135.11684	1.7
139.03899	0.6
141.05440	1.8
142.07809	0.4
143.08527	1.8
145.10123	3.5
147.08078	0.4
147.11655	2.4
149.02318	100.0
149.09552	0.3
153.05429	1.9
155.07033	0.6
155.08476	0.5
156.09288	0.4
157.10056	2.0
159.08047	0.3
159.11655	2.8
161.09564	0.4
161.13206	1.9
163.11240	0.3
165.09094	0.3
167.03354	6.9
167.06989	3.5
169.10069	0.5
171.11636	1.1
171.62730	0.3
173.13248	1.3
175.14844	1.1
179.07079	0.3
181.08578	0.3
183.11635	1.1
185.13243	1.2
187.14787	0.5
189.16347	0.6
190.49292	0.3
191.10652	0.3
195.11649	0.5
197.13239	0.6
199.14763	1.2
201.16408	0.6
203.17845	0.3
211.14865	0.4
211.85596	0.3
213.12833	0.4
213.16321	1.4
214.17073	0.4
215.17848	0.6
217.15887	0.5
221.13344	0.3
223.14810	0.4
227.10486	0.4
232.18132	1.0
237.16254	0.3
240.74211	0.3
251.17989	0.3
263.17944	0.3
291.20892	0.4
309.22070	1.3
323.71646	0.3
327.22830	0.3
337.21494	2.7
355.22574	4.8
368.69324	0.3
373.23587	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	391.2475
Annotation	Parvisporin
Peak:m/z	Relative Intensity
50.10247	0.3
55.05510	0.7
57.06809	0.6
57.07069	10.2
62.38366	0.3
65.03922	0.8
67.05499	2.7
71.08617	8.4
78.17454	0.3
79.05461	3.9
81.07040	3.8
83.04930	0.6
85.02892	0.5
91.05456	4.7
93.07021	4.3
95.04934	1.4
95.08590	3.5
95.33882	0.4
97.06487	0.4
105.07005	7.1
107.04951	1.6
107.08572	5.5
109.06508	2.4
109.10136	1.9
111.04388	2.6
117.06989	1.3
119.08552	3.8
121.02848	5.6
121.06479	0.5
121.10098	2.1
125.05968	16.7
125.09661	0.4
129.06993	0.6
131.08536	3.8
133.10135	3.5
135.08028	0.6
135.11649	1.7
142.07735	0.4
143.08546	1.8
145.10091	5.4
147.11647	2.4
149.02322	100.0
153.05460	7.4
155.06982	2.5
155.08513	1.4
157.10127	2.6
158.10416	0.4
159.11668	4.5
161.13243	1.7
163.07495	0.7
167.03374	5.4
169.10161	0.6
171.11641	1.5
173.09592	0.6
173.13266	0.8
175.07568	0.4
175.14806	1.4
181.09930	0.3
183.11691	0.8
184.12083	0.4
185.13237	2.1
187.14828	0.7
189.09074	1.7
189.16415	0.6
195.11743	0.5
197.13136	0.6
199.14819	0.8
201.16403	4.8
203.10643	0.4
207.11810	0.3
209.13069	0.5
211.14821	0.4
213.16196	0.7
215.17941	1.8
291.21075	0.4
319.20462	0.4
333.04733	0.4
337.21509	4.7
338.21936	1.5
355.22589	8.1
356.23001	1.3
373.23660	9.7
374.23999	6.0
385.92062	0.4
391.24673	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	391.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05506	4.3
57.03419	0.4
57.06812	0.5
57.07069	11.0
64.53882	0.4
65.03918	1.0
67.05482	3.9
69.03408	1.8
69.07059	4.7
71.04967	1.7
71.08616	9.4
77.33400	0.4
79.05482	3.8
81.06592	0.8
81.07038	15.9
83.04958	0.8
83.08645	0.5
85.02888	3.7
85.06546	3.0
91.05464	6.5
93.07021	16.1
95.04929	1.0
95.08587	15.8
97.06517	0.9
99.08071	29.3
105.07009	17.7
107.08584	16.8
109.02853	0.5
109.06528	0.4
109.10141	5.8
113.09624	1.7
117.06985	1.7
119.08560	44.3
121.02809	3.6
121.10116	2.5
123.11682	2.5
125.64497	0.4
130.06566	0.6
131.08536	2.5
133.10109	76.0
134.10463	0.6
135.10654	0.7
135.11673	18.0
137.09563	1.9
144.75311	0.4
145.10072	0.6
145.54668	0.5
146.10905	0.5
147.11671	4.5
149.02325	100.0
151.11142	0.6
167.03366	4.8
173.13199	0.6
175.14792	67.5
193.15866	13.6
193.17474	0.7
211.16956	1.9
345.54218	0.4
355.20963	0.6
391.18542	0.5
410.71106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38248	0.2
53.00299	0.3
53.03941	0.3
55.05508	3.6
57.03423	0.5
57.07065	10.3
65.03912	0.6
67.05482	2.8
69.03396	1.4
69.07049	3.0
71.04974	2.1
71.08608	7.9
79.05478	0.7
80.49067	0.3
81.07039	4.2
83.04950	1.3
83.08606	3.2
85.02895	3.3
85.06515	1.7
91.05465	0.7
93.07017	4.6
95.04942	8.6
95.08585	6.8
97.02871	0.3
97.06506	1.4
99.04409	1.2
99.08068	13.5
105.03368	1.3
105.07019	3.0
106.03687	0.5
107.08569	6.6
109.06503	1.2
109.09398	0.3
109.10141	10.2
111.08077	1.1
113.09631	0.5
113.13265	0.4
119.08556	5.2
121.02843	6.1
121.10106	1.9
123.08031	0.5
123.11611	0.6
125.09553	0.4
127.03833	0.3
127.11167	1.2
131.08453	0.3
133.10115	3.7
135.08011	0.4
135.11685	7.1
137.09586	6.4
147.11664	1.3
149.02312	100.0
151.11147	0.5
151.14854	0.3
153.12703	3.2
155.10658	3.7
157.10201	0.4
167.03334	5.6
171.13737	1.2
175.14796	3.3
191.08676	0.3
193.15858	5.7
211.13306	0.4
211.16908	11.3
229.17892	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	390.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.07139	0.4
57.06811	0.7
57.07067	14.0
58.06575	2.6
62.44442	0.4
67.05479	0.4
68.05003	0.8
70.06577	35.4
71.08609	7.2
71.92423	0.5
72.08127	4.5
84.08154	3.7
85.10150	1.1
86.09682	5.6
88.07611	10.3
89.06012	0.7
92.08794	0.6
102.09161	5.0
114.09163	0.7
121.02840	0.7
132.10176	13.6
146.11743	13.7
149.01105	0.9
149.02315	27.4
167.03387	0.9
214.31439	0.5
229.75929	0.5
240.26862	4.0
259.45901	0.5
264.94714	0.5
266.28448	2.3
284.29398	13.0
328.32028	63.9
349.85400	0.4
390.23166	2.1
390.35687	100.0
391.35831	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01872	0.5
55.05501	2.2
56.02163	0.3
57.03421	0.7
61.02907	0.8
67.05485	2.4
69.03413	2.5
69.07049	0.8
74.62788	0.3
79.05474	6.0
81.03381	0.7
81.07034	5.1
85.02883	4.4
85.06527	1.5
91.05456	12.0
93.07021	22.2
95.04926	0.7
95.08573	2.9
97.02872	0.7
97.06525	1.3
104.06325	0.4
105.07008	18.3
107.07861	0.6
107.08572	13.9
109.06489	0.5
109.10151	0.9
117.06983	3.0
119.08559	100.0
121.10120	28.0
131.08562	1.9
132.09302	0.5
133.06421	0.7
133.10071	2.6
135.08044	0.5
135.11653	2.9
137.09589	3.0
137.60387	0.4
145.10104	2.5
147.11662	42.4
147.69980	0.4
149.09615	2.8
149.13261	4.5
157.10121	1.7
159.11682	3.4
162.57462	0.4
163.11084	2.8
165.12704	5.9
173.81270	0.4
175.11157	17.4
177.12715	3.7
181.12148	2.7
193.12202	34.5
195.13716	2.7
198.09818	0.4
211.13280	2.7
243.94284	0.4
393.88150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01861	1.9
58.36727	0.8
61.02899	4.0
63.88514	0.7
69.03421	5.1
79.05475	6.7
81.03389	1.4
85.02884	18.4
89.09977	0.8
91.05465	8.1
91.05920	0.8
95.04935	3.4
97.02858	3.8
103.05450	7.5
105.07009	68.7
105.43082	0.9
107.04956	1.8
109.06514	2.0
115.05426	13.9
118.04134	5.6
119.04933	10.2
121.06466	2.0
127.03905	1.8
131.04857	1.9
133.06465	68.7
143.05031	1.1
143.06044	5.6
145.04892	1.3
147.04449	1.3
149.05962	3.5
151.07501	1.8
153.05455	4.8
161.05943	100.0
167.07031	4.1
168.07779	3.4
172.09814	0.8
180.08586	1.9
193.08562	45.6
196.07224	1.2
200.05594	0.9
211.09642	11.0
212.53128	1.0
229.55620	1.0
300.49283	1.0
340.87952	1.0
390.18106	1.6
412.74991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47855	0.3
51.03540	0.3
52.99236	0.3
53.03925	2.2
55.01864	4.2
55.05507	7.2
57.03423	1.7
59.04993	4.3
61.02902	2.9
69.03417	8.3
69.42916	0.4
71.04988	1.5
73.02898	0.6
79.05479	6.9
79.90529	0.4
81.03397	5.4
83.04965	7.8
84.04518	0.4
85.02891	16.5
86.09705	3.4
87.04437	0.4
89.03931	0.4
90.04653	0.4
91.05470	2.9
92.08887	1.8
93.07034	0.8
95.04952	4.3
96.05259	0.6
97.02866	14.7
99.04436	3.4
101.06010	2.3
103.05457	7.5
105.03391	6.0
105.07014	76.4
109.02869	4.5
109.06537	0.5
113.25001	0.4
115.05433	12.5
118.04144	5.1
119.07031	0.5
119.08572	0.7
123.04403	0.5
127.03879	5.4
131.04887	2.3
132.05716	1.0
133.02850	1.7
133.06468	72.9
136.82959	0.5
137.05954	5.4
138.09155	0.4
143.04866	2.0
143.06033	5.6
145.04936	8.6
147.11684	0.5
161.05952	100.0
173.96338	0.4
179.06937	0.6
180.08641	0.5
181.04932	1.9
182.05269	1.9
193.08569	45.4
210.15573	0.5
211.09639	2.4
227.08984	1.7
227.16364	0.9
228.12234	0.5
245.10118	4.9
287.90631	0.4
382.86353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51183	0.2
52.65205	0.2
53.03956	0.9
55.01891	0.3
55.05487	0.2
57.03443	0.6
61.02946	0.4
67.05502	1.0
69.03407	3.7
71.04984	0.4
73.02897	0.3
81.03400	3.5
81.07062	1.2
84.04505	0.3
85.02888	10.5
85.06495	0.3
86.09698	0.5
91.05459	7.5
92.09040	0.3
93.07051	0.3
95.04954	1.1
97.02868	4.1
98.06043	0.5
98.47334	0.2
99.04416	0.5
101.29984	0.2
102.88302	0.3
103.05430	0.8
103.30223	0.2
105.03393	0.2
105.07039	0.4
107.04955	0.3
107.08580	0.5
109.02856	2.7
109.06519	0.3
109.10149	1.3
118.04168	1.3
119.04906	9.9
119.08546	0.5
121.02834	0.4
121.06526	0.3
121.10076	0.4
123.04462	0.4
123.08046	1.0
127.03905	3.0
135.04341	0.3
135.07990	0.3
137.05972	2.1
137.09593	2.3
138.09117	0.4
145.04947	0.6
147.04388	9.4
147.08009	2.0
149.09586	0.5
151.07573	0.3
163.03874	1.1
165.05344	1.0
165.09073	45.2
175.07500	1.5
182.11758	0.9
184.22307	0.2
193.04910	100.0
193.08533	9.4
210.11125	0.3
211.06161	2.1
211.09604	8.8
227.16580	0.3
228.12273	1.1
229.07004	3.1
300.93515	0.2
319.08170	0.5
337.09070	4.7
355.10138	6.9
380.55801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2319
Annotation	38344-08-0
Peak:m/z	Relative Intensity
53.97173	1.4
55.05485	6.7
67.05500	18.2
69.07021	1.8
71.44402	1.3
76.56387	1.6
79.05470	18.8
80.27113	1.7
81.07034	23.0
86.56947	2.1
91.05456	14.8
92.09089	8.5
93.07024	18.4
95.04932	10.9
95.08586	34.8
97.06473	2.5
105.07008	28.4
107.04884	2.3
107.08559	11.8
109.06518	17.1
109.10136	3.5
116.98523	1.6
117.06978	12.1
119.08551	17.8
119.94043	1.7
121.06483	3.9
121.10143	3.6
123.08039	14.2
125.05968	100.0
128.06128	2.2
129.06984	9.9
131.08527	20.4
133.06487	2.8
133.10100	7.7
137.05934	3.0
138.95627	1.6
141.06976	2.4
142.07796	7.1
143.08566	22.8
145.10118	15.9
147.08069	2.0
147.11653	4.3
153.05432	37.7
155.06993	14.8
155.08528	10.4
157.10098	32.5
159.07933	3.1
159.11615	14.7
167.06979	2.9
167.08441	2.6
169.10114	11.8
171.11656	13.4
175.07526	2.1
179.08556	2.6
181.10081	3.3
183.11627	13.0
185.13181	10.1
187.07628	2.7
187.14769	15.5
189.09166	1.9
195.11652	2.7
197.13220	3.4
199.11183	2.5
199.14775	29.8
201.12756	2.2
205.16071	2.2
209.13242	3.0
211.14749	2.9
213.16345	23.5
215.10591	2.0
217.15874	7.1
219.11595	2.1
221.13100	2.3
223.14874	3.4
225.12804	2.2
225.16467	2.6
233.13234	2.4
247.14790	2.2
253.12138	2.0
275.17825	2.2
289.19550	2.6
307.20483	7.2
325.21579	4.0
335.20050	16.2
353.21045	43.4
371.22244	12.6
389.23190	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	389.2318
Annotation	38344-08-0
Peak:m/z	Relative Intensity
53.03940	2.5
55.01856	8.3
55.05498	13.1
59.70618	1.6
60.73804	1.9
65.03896	2.0
67.05495	23.8
67.17970	2.0
69.03413	2.7
69.07053	8.4
71.04955	3.2
72.04502	2.0
76.41456	2.0
79.05473	44.3
81.03381	2.0
81.07036	44.1
82.06564	2.7
83.04964	4.1
83.08602	8.6
85.02880	3.9
85.06539	3.6
88.06017	2.0
91.05466	67.9
92.08692	2.5
93.07026	53.2
95.04924	8.7
95.08586	34.1
97.02863	2.1
97.06517	9.2
99.23790	2.2
100.11229	14.3
103.05439	4.4
105.07013	100.0
106.00298	2.6
107.04986	7.0
107.08582	91.1
109.06512	14.0
109.10136	12.9
111.04446	3.2
114.09140	2.2
115.05408	4.9
117.06997	41.8
118.14956	1.9
119.08556	50.7
121.06484	9.3
121.10129	21.0
123.04430	2.7
123.08109	2.6
123.11658	2.3
125.06019	3.8
126.63753	2.7
128.06198	37.2
129.06976	30.5
130.07709	16.1
131.04959	3.1
131.08546	62.2
133.06512	7.6
133.10106	56.4
135.00615	2.1
135.04424	2.5
135.08041	9.0
135.11665	17.6
137.06004	7.3
137.09578	2.5
141.06963	10.6
142.07758	15.1
143.08545	88.1
144.09288	3.8
145.06465	13.9
145.10109	59.4
147.08025	18.4
147.11649	28.4
149.09625	13.9
149.13226	3.4
155.08501	18.3
157.10106	30.1
159.08037	11.7
159.11674	32.1
161.05983	2.6
161.09590	34.0
161.13295	4.5
163.07515	9.5
165.06963	3.2
165.12787	2.6
167.07051	3.7
167.08490	9.0
168.09328	3.3
169.10112	11.9
171.08005	27.6
171.11710	11.6
173.09644	8.0
173.13228	9.6
175.07487	10.5
175.11113	11.4
175.14777	33.4
177.09096	10.1
177.12721	9.4
181.04945	4.1
181.10060	11.5
182.15378	3.1
183.08064	2.4
183.11642	9.6
185.09566	13.7
185.13196	7.6
187.07533	11.0
187.11182	4.3
189.09067	75.3
189.12662	2.8
191.08505	2.6
193.10077	2.9
195.11691	3.2
197.09550	2.6
197.13226	5.2
199.11150	8.0
201.09024	3.9
203.10677	9.0
203.17847	2.0
207.11681	3.5
211.11263	3.8
215.17969	2.3
217.08543	2.7
219.11600	2.4
221.13235	3.1
224.45251	2.2
225.09027	3.8
225.12787	2.9
227.10666	8.5
227.17920	4.2
229.12144	2.6
231.10112	3.5
233.13237	4.4
237.02875	2.6
241.12204	4.7
243.92361	2.3
244.29210	2.2
247.14841	2.6
249.16338	3.3
275.17859	3.0
279.21222	2.3
285.07520	3.7
289.19363	9.0
300.09903	3.7
307.20532	10.9
317.18811	4.3
325.21570	13.6
335.19907	39.4
343.22665	4.6
353.21027	98.1
357.09644	2.2
371.22092	93.6
389.23141	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2318
Annotation	38344-08-0
Peak:m/z	Relative Intensity
53.03927	1.5
53.31625	1.4
55.01860	1.5
55.05497	6.5
60.20069	1.4
63.91681	1.5
67.05492	16.1
67.09479	1.7
69.03409	2.4
69.07037	2.4
77.03902	1.6
77.37978	1.5
79.05470	33.4
79.30133	1.7
81.07037	23.4
83.04976	2.7
85.15001	1.3
91.05463	35.6
92.08840	2.0
93.07029	33.1
95.04944	3.8
95.08588	23.9
97.06492	2.4
103.05434	1.7
105.07008	52.4
107.04931	2.7
107.08569	64.8
109.06496	3.9
109.10150	12.9
111.04409	3.2
115.05449	2.5
117.07025	16.3
117.89179	1.5
119.08552	29.5
121.06464	1.7
121.10106	15.1
123.08046	2.0
125.05956	7.8
127.39211	1.8
128.06189	7.6
129.06943	15.7
130.07686	2.2
131.08530	29.3
133.06470	6.5
133.10088	17.0
135.08034	7.0
135.11668	6.6
137.05936	2.2
138.96153	1.8
141.06944	14.1
142.07777	9.3
143.08531	30.5
145.06468	32.1
145.10098	27.5
147.08052	7.4
147.11671	20.9
149.09593	3.7
149.13242	2.1
151.07501	2.0
153.07014	1.9
155.08540	15.3
157.06567	1.8
157.10069	24.1
159.08057	7.0
159.11670	18.0
161.09599	9.5
161.13216	9.6
163.07520	3.5
165.06956	6.3
165.53253	1.7
166.07738	8.6
167.08527	9.7
168.09346	3.5
169.06448	2.3
169.10101	9.2
171.08041	2.8
171.11639	11.3
173.09598	2.9
173.13219	6.2
175.07533	3.6
175.11122	7.0
177.09100	2.3
179.08493	3.2
180.09259	3.8
181.10071	18.8
183.07990	3.7
183.11699	10.3
185.09573	8.5
185.13214	8.3
187.07469	14.5
187.14780	3.1
189.09041	14.1
191.06985	3.5
193.10135	6.7
195.11626	11.1
197.09566	7.4
197.13251	5.9
199.07571	2.8
199.11145	6.5
199.14801	3.9
201.09114	2.0
203.07054	3.6
203.10623	9.0
205.10158	2.8
207.11694	2.8
209.09590	7.0
209.13229	2.5
211.11118	2.9
211.14711	2.7
213.09106	3.5
213.12642	2.2
213.16362	3.1
215.14230	2.2
219.11693	3.0
221.13263	2.8
225.09059	6.9
227.10588	23.3
229.12083	2.1
231.10017	2.1
233.13315	3.0
235.14749	1.9
237.02762	2.2
239.10577	12.9
241.12167	15.0
245.11417	2.1
247.14812	2.6
249.16342	2.2
251.17810	2.7
253.12096	2.9
255.13829	2.0
259.13287	2.4
279.13876	2.0
289.19266	3.9
307.20462	9.3
317.18912	2.0
325.21582	3.2
335.19907	35.0
353.21021	63.4
370.83972	2.1
371.22086	72.2
389.23145	100.0
403.96909	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2317
Annotation	38344-08-0
Peak:m/z	Relative Intensity
55.01859	2.5
55.05493	2.1
62.79532	1.7
67.05479	10.9
79.05472	39.8
81.07020	15.6
81.18843	2.0
91.05457	35.4
93.07013	32.2
95.04942	8.7
95.08572	10.5
97.06503	4.0
105.07010	65.1
107.04867	2.7
107.08575	100.0
109.06453	6.2
111.04407	2.8
111.08041	1.8
115.05392	2.9
117.06988	25.0
119.08567	21.3
121.06514	4.2
121.10136	17.0
123.04402	3.0
123.08017	3.0
128.06198	6.4
129.06987	22.2
131.07625	3.4
131.08536	52.5
133.10117	12.5
135.07993	7.3
135.11668	2.1
141.06920	2.7
142.07755	8.3
143.08528	22.5
144.09219	1.8
145.10091	33.7
147.08003	11.6
147.11644	11.0
149.09622	12.0
152.30371	1.6
155.08440	2.5
157.10104	34.9
158.08675	1.9
159.08008	11.3
159.11661	24.7
161.09593	14.4
163.11217	2.0
169.10066	3.9
171.07991	2.6
171.11633	8.8
173.13240	21.6
175.07509	6.7
175.11122	9.8
177.09097	1.7
183.11623	2.3
185.09572	10.2
187.11057	2.3
189.09055	41.6
191.14265	4.1
195.11656	2.1
201.12671	2.0
203.10622	24.3
213.08998	2.1
231.10091	8.9
241.12126	2.2
249.11142	9.2
258.97272	1.7
335.20068	13.9
338.23550	1.8
353.20959	39.2
364.11295	2.1
371.22089	46.3
389.23010	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	389.2318
Annotation	38344-08-0
Peak:m/z	Relative Intensity
53.03939	3.3
53.57613	1.9
55.01863	3.1
55.05505	14.4
57.70997	1.7
65.03928	2.2
67.05492	34.7
69.07048	10.7
79.05467	40.8
81.03395	2.2
81.07042	56.9
83.08592	11.3
91.05457	64.4
93.07021	79.4
95.04951	15.7
95.08585	48.5
97.06513	2.6
105.03362	21.0
105.04504	2.5
105.07014	88.7
107.04938	3.3
107.08579	59.8
109.06515	2.8
109.10144	15.5
110.19659	2.0
110.76823	1.8
115.05436	4.2
116.06231	2.2
117.06986	29.7
119.04891	2.4
119.08561	67.3
121.06492	10.6
121.10148	25.2
123.04400	7.2
123.08018	2.8
125.02478	1.9
128.06201	20.1
129.07010	19.8
130.07744	9.8
131.04913	1.8
131.08540	49.5
133.06468	3.9
133.10097	51.9
135.08058	3.1
135.11671	9.9
141.06972	8.2
142.07794	4.0
143.07538	3.1
143.08548	53.8
143.12408	2.1
145.06476	4.8
145.10115	47.5
147.08055	10.3
147.11647	32.9
149.09688	2.6
149.13229	3.8
152.57133	2.0
153.05565	2.4
153.06956	2.8
155.08592	10.5
156.09261	2.4
157.10109	19.8
159.08022	4.6
159.11638	41.6
161.05905	3.2
161.09641	12.1
161.13232	8.1
163.07536	3.6
165.06923	2.1
167.08516	4.6
168.09343	2.7
169.10124	10.6
171.08044	12.1
171.09386	2.0
171.11626	14.1
173.09567	3.7
173.13226	10.2
175.07524	11.2
175.14787	99.6
177.09010	7.3
177.12761	8.2
178.06407	2.6
179.06984	8.7
179.08540	3.0
181.10155	14.9
183.08102	2.7
183.11655	15.2
185.09433	2.1
185.13225	12.4
187.07527	4.3
187.14809	8.1
189.09076	43.1
191.06992	2.8
191.14322	4.8
193.10066	4.8
194.10875	2.2
195.11626	13.0
197.09460	2.2
197.13274	9.4
199.07570	2.5
199.11153	2.7
201.08994	2.6
201.16360	9.7
203.10747	2.2
206.10970	1.9
207.11649	4.8
209.09636	2.9
209.13286	3.6
209.15186	2.0
211.11165	2.9
211.14777	4.0
213.16344	2.2
215.10638	4.3
215.14391	3.4
219.11592	3.2
223.14885	2.2
225.09067	3.5
227.10603	9.5
227.17918	10.0
229.12199	4.5
230.16656	3.4
231.10152	2.3
233.13304	4.3
235.14871	2.4
241.12173	7.7
247.14822	2.4
249.16359	2.3
251.17891	2.6
253.12187	9.1
255.13901	2.3
261.12607	2.3
263.17810	1.9
265.12137	3.6
271.13290	2.4
279.13699	4.0
289.19458	9.2
293.15558	3.3
297.14774	2.6
307.17331	2.5
307.20541	13.2
311.19742	2.5
317.18878	4.0
320.17426	2.1
325.21570	3.5
335.19995	100.0
335.24011	3.9
353.21036	87.4
371.22064	87.5
389.18161	3.0
389.23160	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2319
Annotation	Kadangustin J
Peak:m/z	Relative Intensity
50.44867	0.6
55.01871	1.2
55.05497	1.7
64.22578	0.6
67.05498	10.0
69.03416	0.9
69.07039	1.8
70.58515	0.7
79.05474	13.4
81.07037	14.2
83.04954	1.0
83.08589	3.8
91.05463	21.7
91.69294	0.6
93.07025	19.0
95.04963	3.0
95.08591	12.0
97.06518	3.0
102.78786	0.6
105.07014	30.1
107.08578	17.9
109.06508	1.6
109.10139	5.1
111.08046	0.7
117.06996	8.4
119.04882	0.7
119.08566	23.2
121.10133	6.8
123.08059	1.6
128.06166	3.5
129.06969	6.3
130.07828	1.3
130.80875	0.7
131.08546	16.0
133.06436	1.7
133.10110	14.9
135.08037	2.9
135.11653	4.3
141.06979	2.9
142.07799	1.7
143.08533	11.7
145.06506	1.4
145.10098	9.2
147.08043	4.1
147.11667	12.2
149.09622	0.8
149.13249	3.7
155.08578	6.1
157.10112	8.3
159.08038	5.8
159.11655	13.2
161.09598	3.9
161.13245	5.6
163.07500	4.5
167.08430	0.8
169.10112	4.8
171.08040	4.3
171.11708	3.3
173.09607	1.0
173.13226	3.7
175.07475	8.1
175.11191	0.8
175.14790	22.2
177.09061	4.0
179.06990	4.2
179.08446	1.1
181.10106	3.3
183.11725	4.0
185.09616	4.3
185.13226	2.8
187.07516	8.0
189.09082	11.5
193.10109	1.4
195.11674	3.6
197.13269	2.9
199.11177	1.3
201.09146	3.3
203.10693	1.4
205.08482	1.4
207.11755	1.4
209.13239	0.9
211.11084	1.0
213.09135	1.3
215.10594	3.0
219.11664	0.9
221.13318	1.4
223.14688	0.8
225.09148	2.7
227.10762	1.4
229.12051	1.1
233.13470	0.9
235.14651	0.7
236.12161	0.9
239.10666	1.1
241.12184	7.3
243.10146	1.1
253.12122	1.6
255.13695	1.0
279.13681	0.8
289.19305	0.8
293.15378	1.0
307.20355	1.1
308.37592	0.7
317.18701	1.0
325.21555	1.3
335.19995	11.5
353.21085	10.3
371.22000	4.5
389.23151	100.0
394.21490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.47867	0.6
55.05498	1.3
56.35509	0.6
57.03422	1.4
61.02900	0.7
67.05482	1.2
67.33911	0.7
69.03416	4.2
69.07049	1.4
71.04968	2.9
79.05485	3.0
81.03410	1.3
81.07046	3.1
82.33812	0.7
83.04977	1.1
83.08588	0.9
85.02889	9.4
91.05457	1.4
93.07035	5.7
95.04954	8.8
95.08583	4.3
97.02892	1.8
97.06524	1.6
99.04437	3.9
99.08071	1.5
105.07023	6.0
107.05106	0.6
107.08591	7.3
109.06516	5.0
109.10105	1.5
111.08082	1.2
118.09391	0.7
119.08550	3.5
121.06470	1.2
121.10139	8.7
123.08082	1.5
123.11662	1.0
125.09621	0.8
131.04936	1.6
131.08546	1.2
133.10097	7.3
137.09590	1.7
139.11145	1.1
147.11699	3.7
147.82291	0.8
149.09598	100.0
149.13245	1.4
151.11151	2.8
153.09126	4.1
165.12656	1.0
167.07060	1.2
173.13274	3.0
191.14236	6.7
209.15358	10.4
227.16399	11.2
272.19272	0.8
343.71085	0.8
405.39447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
50.77776	0.8
53.03940	2.3
54.81699	1.0
55.01855	1.3
55.05503	7.6
57.03426	2.0
57.07055	1.2
61.02925	1.7
66.66917	0.8
67.05488	4.1
68.99764	1.0
69.03412	26.9
69.07053	7.0
71.04966	1.5
73.02901	1.1
79.05473	6.0
81.07044	7.0
83.04954	11.1
83.08604	8.4
85.02886	12.6
85.06525	2.5
91.05460	3.9
92.08762	2.4
92.09284	1.7
92.63874	1.0
93.07014	12.9
95.01287	1.7
95.04934	5.0
95.08590	11.7
97.02886	1.4
97.06524	4.4
97.10139	5.4
99.08073	10.0
105.03370	76.9
105.06999	4.7
107.08576	30.0
109.06512	10.2
109.10147	8.7
111.04430	1.2
111.08056	9.6
113.02308	1.1
113.05979	3.4
119.08537	1.8
121.06451	1.7
121.10122	20.9
123.04416	2.4
123.08057	2.0
123.11684	2.2
125.05959	4.6
125.09600	80.3
127.07523	1.4
131.08514	1.9
133.10109	7.5
135.08035	11.3
135.11679	2.3
137.09563	4.9
139.07512	6.1
139.11157	1.5
141.01813	2.4
141.70723	1.0
145.10109	1.6
147.11653	4.3
149.09592	100.0
149.13199	11.2
151.11165	23.1
153.09087	22.7
154.09877	5.1
158.10822	1.1
163.14807	13.2
165.12679	2.1
167.10657	1.4
173.13228	7.7
179.07005	11.3
191.14267	31.1
197.08040	11.1
209.15331	96.6
227.16367	13.1
327.79297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03931	2.1
55.01840	3.0
55.05490	15.1
57.03415	4.9
57.07059	5.1
67.05482	16.3
67.05817	2.3
69.03408	26.9
69.07051	17.8
71.04964	10.9
72.08145	2.6
79.05475	19.8
81.03391	5.3
81.07036	40.4
83.04945	13.4
83.08582	6.3
85.02893	27.6
85.06527	4.8
86.09685	6.0
91.05468	21.7
91.05939	2.5
93.07021	44.1
94.04153	3.9
95.04940	28.3
95.08578	36.5
97.02866	10.0
97.06499	15.0
99.04430	12.7
99.08071	10.6
103.05439	35.5
105.03365	27.9
105.07002	29.9
107.04921	5.6
107.08576	100.0
109.02847	2.9
109.06516	26.9
109.10136	26.3
111.08029	12.9
113.96481	2.5
115.05441	3.0
117.06982	3.4
119.08552	28.8
121.06502	6.0
121.10116	50.6
122.03637	3.4
123.04410	5.1
123.08012	22.8
123.11663	4.7
125.09588	22.2
127.03881	4.4
131.04910	46.7
131.08536	28.7
133.02809	6.1
133.06493	2.7
133.10101	63.0
135.07964	24.2
135.11674	11.5
137.04988	4.6
137.05951	76.5
137.06918	4.9
137.09541	9.5
139.07568	3.7
139.11134	3.2
145.06410	3.2
145.10104	14.5
147.04475	3.0
147.11685	22.4
149.09596	48.8
149.13280	33.9
151.11159	23.8
153.09052	15.8
158.10847	4.8
163.07487	12.8
163.11148	2.9
163.14807	25.7
167.07024	18.0
167.10660	3.0
173.13219	36.5
175.42125	2.8
191.14278	71.6
191.79269	2.6
193.04930	16.2
201.85257	2.3
209.15332	71.5
227.16377	42.9
297.11148	3.5
300.10031	3.1
371.14520	3.7
389.16919	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	389.2168
Annotation	Foliasalacioside A1
Peak:m/z	Relative Intensity
50.99509	1.7
55.01838	1.9
55.05490	11.1
57.03419	3.8
57.07062	3.5
59.05001	3.3
61.02917	2.5
67.05499	13.5
69.03416	11.8
69.07059	19.2
71.04984	4.1
79.05466	15.8
81.03383	3.1
81.07035	33.6
83.04967	14.0
83.08601	4.5
84.30810	1.8
85.02897	22.1
85.06517	11.9
89.68229	1.8
91.05453	11.1
91.45954	1.9
93.07028	47.1
93.07580	3.7
95.04935	9.6
95.08591	42.1
97.06492	8.0
99.08077	23.6
105.07008	24.6
107.04924	10.0
107.08580	79.8
109.06528	19.4
109.10149	29.7
111.08083	10.1
117.07038	2.1
119.08538	13.4
121.06516	26.5
121.10115	62.0
123.08037	32.7
123.11658	7.1
125.05914	2.5
125.09602	16.1
131.08542	30.2
131.09340	2.3
133.10106	40.4
135.08028	28.8
135.11668	10.4
137.09587	10.3
139.07535	2.7
145.10106	11.4
147.11665	14.9
149.08376	3.3
149.09604	97.1
149.13245	32.5
151.11174	42.0
153.09116	10.7
158.10925	2.7
163.11131	2.7
163.14789	33.6
173.13211	35.9
191.14275	66.5
191.15881	3.0
209.15334	100.0
283.61060	2.2
389.17447	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03946	2.1
55.01859	2.2
55.05503	50.2
57.03436	8.4
57.07067	2.3
59.04977	2.7
61.02913	5.0
64.33366	1.3
67.05486	10.5
69.03413	20.8
69.07043	8.6
70.03753	1.7
70.06570	1.4
71.04975	8.7
72.08116	1.6
79.05474	10.9
81.03405	6.1
81.07043	20.1
81.26083	1.1
83.04964	42.1
83.08599	36.0
85.02891	35.0
85.06516	6.0
86.03207	2.6
86.09706	5.2
87.04451	4.7
91.05451	14.5
93.07023	15.2
95.04950	28.9
95.08574	10.6
97.02884	10.8
97.06504	19.1
97.10147	7.5
99.04408	9.1
99.08089	1.5
103.05418	1.9
105.07008	45.7
107.04972	1.7
107.08570	35.8
109.02888	2.3
109.06504	36.3
109.10146	27.4
111.04408	1.3
111.08069	10.7
115.03909	2.1
115.05429	3.0
117.06998	2.1
119.04938	6.0
119.08553	12.4
121.06435	1.8
121.10120	31.4
123.04401	2.2
123.08035	5.5
123.11703	10.9
125.09595	15.3
127.03879	4.7
131.08517	8.7
133.06473	24.9
133.10100	33.1
135.05435	1.9
135.08058	7.3
135.11652	6.9
137.09630	2.2
139.11195	2.1
145.10126	6.1
146.06892	1.5
147.04385	5.4
147.08012	1.4
147.11667	22.1
149.05945	2.0
149.09604	2.0
149.13257	10.9
151.11171	29.4
153.09077	12.6
161.05928	26.3
163.14810	5.9
165.09067	1.3
167.07030	7.7
167.14265	46.0
167.15729	1.6
173.13188	13.5
175.03847	4.7
191.14243	21.5
192.07425	1.9
193.08531	16.7
206.07666	1.3
207.06467	5.4
209.15326	100.0
211.09605	2.0
224.64760	1.3
227.16385	21.5
251.42276	1.2
381.96970	1.3
389.17651	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	388.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23320	3.7
55.05504	42.9
57.03418	10.9
57.07055	6.2
63.02416	4.6
67.05488	85.2
69.07073	36.0
71.08614	18.5
76.56386	4.6
79.05476	42.7
81.07032	100.0
83.08608	24.4
91.05450	23.0
92.09394	13.2
93.07054	45.6
95.08581	71.7
97.06494	19.4
97.10123	8.2
99.08071	18.8
105.07000	24.9
107.08596	40.7
109.10155	42.3
117.86609	4.3
119.04916	7.4
119.08582	11.2
121.10136	18.7
123.11610	7.5
128.95624	5.1
129.09131	5.7
135.11684	24.4
145.10158	7.5
147.04402	35.8
147.11655	23.9
149.13315	6.6
165.05417	6.1
191.16481	5.8
243.21036	8.5
261.22025	19.5
279.23138	26.7
353.26813	45.9
372.60080	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	388.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95547	0.5
55.05504	1.1
55.34592	0.5
57.03442	0.5
61.01157	0.6
64.33920	0.6
65.03916	0.6
67.05476	3.0
69.03400	3.4
71.04931	0.6
72.08142	1.0
79.05470	0.7
81.03400	1.0
83.04960	2.5
85.02882	4.9
86.09694	1.4
91.05431	1.3
93.03344	0.8
93.07056	0.5
95.04953	4.5
96.83789	0.5
105.03375	2.4
105.07020	0.9
107.04950	6.2
107.08621	1.0
111.04407	3.9
117.06975	1.3
120.04427	0.9
121.10151	0.5
123.04409	2.6
127.03857	0.6
129.05421	1.0
133.02808	7.7
133.10110	0.9
134.01797	0.6
135.04417	0.8
136.07381	0.6
139.03880	1.1
145.02827	0.7
145.06493	1.3
147.04396	1.4
147.11707	0.7
151.03865	4.4
151.07462	0.6
151.09892	2.2
155.04872	0.8
157.04918	1.3
161.02287	4.4
161.08313	1.2
162.09125	0.8
164.10654	8.8
167.03378	0.7
167.07062	1.0
173.05948	12.0
174.09119	3.3
175.05952	1.0
175.09921	6.8
176.10658	28.6
177.11446	17.4
179.03351	17.7
183.46623	0.6
187.09898	2.6
188.10698	9.5
189.11440	6.0
190.08592	4.2
190.12196	5.4
191.07004	8.6
191.09305	0.9
191.14349	0.7
201.11546	0.7
202.12253	17.8
203.09410	8.8
203.12932	0.7
204.08270	1.0
204.10168	27.2
204.13791	21.6
204.15596	0.9
208.07913	0.7
208.09691	3.8
208.69630	0.6
216.10222	5.4
217.10945	12.3
218.11726	33.8
230.11734	11.0
230.16928	0.6
234.11267	1.2
236.11191	1.2
236.12825	18.3
248.12772	15.9
250.08897	1.3
262.08807	4.5
266.13843	26.0
278.11990	0.9
280.09897	2.3
280.13376	0.8
290.11938	2.1
294.11542	3.3
298.11090	3.7
306.11511	11.1
308.13000	0.9
324.12634	7.0
326.14163	3.2
340.12097	5.4
342.13522	3.4
352.12070	9.6
353.08585	0.7
370.13104	16.2
382.16241	0.6
388.14145	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	388.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
54.81761	1.0
55.01865	2.2
55.05511	8.0
57.03431	2.1
59.05011	1.2
65.03920	7.9
67.05489	18.4
68.99773	5.1
69.03419	14.4
69.07047	16.1
72.08164	1.2
73.02888	3.9
77.03920	7.4
79.05484	8.5
81.03395	2.4
83.04969	47.2
85.02892	25.6
86.03259	1.3
87.04425	1.3
89.03909	2.5
93.03385	17.8
95.04950	31.0
95.05514	1.8
97.02881	5.9
101.05994	2.0
105.03371	33.6
107.04938	63.2
109.02873	6.6
110.06011	1.8
111.04428	53.5
113.69827	1.0
115.03888	2.3
117.03347	1.6
119.05001	1.6
119.08546	1.0
121.02852	8.2
121.23686	1.1
123.04391	25.9
123.07980	1.3
126.05482	7.1
127.03906	2.4
129.05461	18.2
130.20067	1.0
133.02829	100.0
135.04385	9.8
137.05939	4.3
138.05515	2.1
139.03893	17.9
145.02818	2.4
145.04938	1.6
147.04381	2.5
151.03856	16.5
155.03384	1.4
157.04924	14.4
161.02306	45.8
163.03888	17.1
164.04248	2.2
175.06018	5.6
179.03354	82.1
191.07344	6.2
203.05527	1.8
208.09627	1.5
226.10616	2.7
235.45082	1.4
265.85815	1.3
269.22729	1.2
289.91827	1.0
307.07996	1.6
325.09271	2.5
325.13040	1.2
337.06387	1.2
353.08633	27.1
371.09729	2.3
387.16174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2161
Annotation	Trichodermadiene
Peak:m/z	Relative Intensity
51.41999	0.7
53.03926	1.3
53.18922	0.8
55.05489	4.1
57.03418	0.8
58.47504	0.7
67.05489	10.4
69.03399	1.3
69.07047	3.7
79.05471	12.5
81.07041	13.8
83.04948	1.0
83.08613	1.0
85.02879	1.5
91.05451	20.2
92.09238	1.0
93.07026	14.9
95.04946	5.1
95.08580	10.8
97.06498	1.9
103.05447	1.6
105.07007	26.2
106.29577	0.9
107.04972	1.2
107.08575	12.2
109.06513	4.0
109.10142	4.0
111.08127	1.1
115.05420	3.8
116.06198	1.1
117.06992	14.0
119.08566	16.4
121.06474	7.2
121.10098	5.2
122.03612	1.4
128.06216	4.1
129.07021	7.0
131.08531	19.2
132.71840	1.0
133.06461	4.1
133.10127	7.2
135.07993	1.8
135.11674	1.9
137.05948	13.2
141.06972	4.3
142.07779	1.5
143.08528	10.6
144.09286	1.6
145.06482	6.6
145.10109	16.7
147.08041	5.1
147.11665	7.9
149.05957	1.9
151.03886	1.5
151.07486	1.3
154.07721	1.4
155.08536	5.3
156.09354	1.0
157.10095	9.6
159.08003	2.2
159.11652	18.2
161.09555	4.4
161.13252	5.3
163.07509	2.1
165.06943	1.4
165.09027	1.0
167.07074	1.6
167.08537	4.2
168.09390	1.2
169.10136	5.7
171.08020	1.5
171.11668	4.0
173.09595	3.8
173.13188	9.3
175.07489	6.2
177.09016	1.0
179.06993	6.7
179.08467	3.1
181.04948	2.0
181.10078	4.7
183.08089	1.4
183.11662	2.0
185.09554	1.2
185.13284	1.8
187.07555	2.0
189.05615	1.2
189.09076	1.9
193.10110	1.8
195.11688	1.9
197.09618	1.7
197.13225	1.6
199.11174	3.2
199.14764	1.1
201.09142	1.1
203.06992	1.8
206.10939	0.9
209.13199	3.6
211.11098	1.4
211.14578	1.1
213.09088	6.0
215.10631	3.6
221.13179	1.1
223.14691	1.0
227.10568	2.2
231.10156	5.5
241.12309	1.7
249.16359	1.1
293.15247	1.0
305.18832	1.3
307.16946	1.4
323.20023	4.0
333.18372	3.4
351.19531	8.2
369.20355	4.6
387.21585	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	387.2161
Annotation	Trichodermadiene
Peak:m/z	Relative Intensity
53.03930	1.8
55.05487	4.8
56.96549	1.2
63.10975	0.9
63.54219	0.8
67.05490	11.1
69.03403	1.5
69.07046	4.4
70.09625	0.8
79.05476	11.9
81.07036	14.4
83.04977	1.7
85.02874	1.2
89.96849	1.0
91.05463	22.1
93.07025	21.1
95.04920	5.3
95.08585	13.9
97.06461	1.4
98.97552	1.7
102.76524	1.0
103.05537	0.9
105.03367	1.5
105.07005	28.2
107.04933	2.4
107.08579	15.5
109.06480	3.9
109.10125	4.1
115.05444	2.2
116.06194	1.2
117.07012	15.5
119.04924	5.7
119.08559	18.6
121.06490	3.9
121.10110	5.2
123.04430	1.2
123.08070	1.2
125.05995	1.8
128.06210	4.0
129.06979	10.3
130.07852	1.3
131.04901	1.2
131.08542	19.0
133.06480	4.5
133.10114	10.5
135.08029	5.1
135.11589	1.5
137.05954	21.8
137.09529	0.9
139.03870	1.1
141.06932	3.5
142.07765	4.2
143.08578	12.3
144.09282	1.5
145.06458	5.9
145.10094	17.7
147.04356	1.2
147.07991	3.7
147.11676	9.9
149.05988	1.3
149.09605	1.9
151.03873	1.5
153.05382	1.0
153.06940	1.2
154.07767	1.2
155.08543	6.7
156.09305	1.1
157.10109	8.8
159.08055	5.7
159.11678	14.4
161.09521	1.3
161.13208	4.9
163.07533	2.1
165.09152	1.2
167.06995	6.5
167.08528	4.0
168.09335	1.5
169.10110	5.6
171.11650	5.8
173.09560	3.9
173.13226	7.8
175.07506	4.1
175.14850	3.7
177.09184	1.5
179.06970	4.9
179.08478	1.8
181.04933	1.7
181.06483	1.1
181.08560	1.6
181.10085	5.8
183.11710	3.8
185.09572	2.0
185.13281	1.5
187.07561	1.3
187.11252	1.2
189.09079	3.9
191.06981	2.2
193.10136	1.5
195.08115	1.1
195.11678	2.1
197.09598	1.7
197.13274	1.4
199.07510	1.1
199.14816	1.3
201.09077	4.1
203.06990	1.3
205.08475	1.8
207.11700	1.4
209.13190	1.3
211.14835	1.4
213.09151	4.0
215.10651	2.0
219.01743	1.3
221.13173	3.5
225.09099	3.7
227.10658	2.1
231.10118	1.7
237.02771	3.6
239.10698	1.2
247.14833	1.1
271.91306	1.0
277.19363	1.0
287.17828	1.5
305.18970	1.6
323.20074	4.5
333.18524	4.6
346.69260	1.1
351.19421	7.8
367.15842	1.2
369.20541	5.9
381.20569	1.0
387.13873	3.1
387.21603	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	387.2162
Annotation	Trichodermadiene
Peak:m/z	Relative Intensity
51.27475	0.8
53.00289	0.8
53.03940	1.2
55.01853	1.8
55.05492	4.6
55.07324	0.8
57.07047	0.7
65.03915	1.9
67.05487	10.9
69.03402	2.0
69.07050	2.1
71.04974	1.6
79.05054	0.9
79.05476	14.5
81.03397	1.4
81.07037	14.1
83.04958	1.5
83.08595	1.8
85.02876	1.0
85.06493	1.2
88.01105	0.9
91.05459	20.6
92.09218	1.0
93.07020	19.9
95.04955	6.5
95.08583	12.5
97.06500	1.3
103.05408	3.1
105.03355	4.6
105.07011	27.4
107.04933	4.2
107.08582	14.5
109.06499	6.4
109.10162	5.2
110.03605	1.1
111.04412	1.1
111.08068	0.9
112.74501	0.9
115.05425	4.2
116.98593	1.0
117.06984	13.8
119.04951	1.3
119.08570	17.7
121.02870	1.1
121.06527	6.9
121.10151	7.2
121.10883	1.0
122.03587	1.0
123.04411	2.1
123.08044	1.7
125.05978	4.2
128.06090	2.9
129.06985	9.0
130.07736	1.7
131.04944	1.4
131.08545	20.3
133.06528	3.0
133.10133	9.6
135.08028	4.7
135.11655	3.1
137.05951	19.5
137.09541	1.1
141.06953	4.5
142.07709	1.8
143.08531	12.1
144.09297	1.0
145.06474	5.7
145.10101	16.8
147.08055	4.5
147.11676	6.1
149.05908	1.9
149.09595	1.7
149.13261	1.3
151.03879	1.4
151.07597	1.0
153.05426	1.3
154.07748	1.0
155.08531	6.7
156.09369	1.5
157.06526	0.9
157.10109	8.9
159.08017	4.7
159.10510	1.3
159.11696	14.9
161.05893	1.5
161.09581	1.7
161.13246	4.5
163.07500	3.5
165.06973	1.3
166.07704	1.1
167.06989	5.1
167.08549	4.8
168.09297	0.9
169.10149	6.7
171.08003	2.0
171.11626	4.1
173.05937	0.9
173.09557	3.4
173.13239	10.1
175.07503	4.6
175.14893	1.2
177.09042	1.2
178.07747	1.0
179.06992	5.5
179.08519	3.5
181.04935	3.8
181.10086	3.8
183.11688	3.5
185.09586	1.2
185.13283	1.4
187.07571	1.5
187.11148	0.9
189.05463	1.4
189.09138	3.7
189.12682	1.2
191.06987	1.4
192.09293	1.0
193.10176	1.6
195.05487	1.8
195.11697	3.2
196.05830	6.6
197.09608	2.1
197.13194	1.1
199.11160	3.3
199.14803	1.8
201.09206	1.0
203.06984	3.5
203.10542	1.0
207.11705	1.9
209.09624	1.4
209.13164	3.2
211.14743	1.1
211.62560	0.8
213.06529	4.0
213.09065	4.8
213.12672	1.1
214.06932	7.0
215.10687	4.7
219.11584	1.5
221.13268	1.9
222.07278	1.3
223.11259	1.0
223.14780	1.5
225.09216	1.2
227.10675	1.9
229.12108	1.5
231.10124	3.7
234.14066	0.9
251.10657	1.1
258.09534	3.9
263.14185	0.9
263.17807	1.2
267.13800	0.9
269.11539	0.9
285.08813	0.9
286.08914	2.1
292.68735	0.8
305.18967	1.1
307.16611	0.9
323.20007	5.8
325.10724	2.0
333.18417	1.6
341.21124	3.0
351.19449	7.7
357.13425	1.2
369.12683	3.4
369.20502	4.3
387.14484	7.0
387.21579	100.0
388.22058	1.0
400.66037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2162
Annotation	Ardisinone E
Peak:m/z	Relative Intensity
53.03922	1.4
54.97789	0.3
55.01857	1.0
55.05285	0.2
55.05503	3.1
55.65718	0.2
57.03409	0.2
61.56702	0.3
61.88714	0.2
64.15683	0.2
65.03918	0.5
67.05145	0.4
67.05488	7.6
68.16524	0.2
69.03400	1.0
69.07053	2.0
71.04941	0.2
78.32692	0.2
79.05468	10.7
81.07034	11.2
83.04969	1.0
83.08597	1.5
85.06526	0.3
91.05454	16.4
91.77870	0.2
93.07017	15.2
95.04939	4.0
95.08575	9.4
97.06503	1.4
97.10104	0.3
101.24473	0.3
103.05439	1.3
105.03360	1.4
105.04502	0.3
105.07003	25.2
107.04930	1.7
107.08569	11.5
109.06503	3.2
109.10123	2.2
111.08040	1.1
115.05414	2.5
116.06217	1.3
117.06993	14.7
117.07844	0.4
119.04910	1.0
119.08554	15.3
121.06499	4.0
121.10103	5.0
123.04387	1.3
123.08009	1.5
125.05937	0.5
128.06195	2.7
129.06972	7.1
130.07744	1.9
131.04890	0.6
131.08539	18.7
133.06450	3.4
133.10089	8.3
135.08029	3.8
135.11671	2.8
137.05960	1.1
137.09575	0.4
141.06926	3.3
142.07730	2.8
143.07539	0.5
143.08548	7.9
144.09308	2.0
145.06473	4.1
145.10097	15.0
146.07205	0.3
147.08029	3.8
147.11652	7.8
149.05968	1.9
149.09615	1.2
149.13263	1.1
151.07494	1.6
153.07002	1.1
154.07745	2.2
155.08514	5.4
156.09277	1.1
157.06520	1.0
157.10094	9.2
158.07263	0.9
158.10881	0.4
159.08018	3.9
159.10335	0.6
159.11655	15.6
161.05951	1.4
161.09595	1.8
161.13237	3.8
163.07466	3.7
163.11157	1.1
163.14783	1.5
165.06960	1.3
165.09047	0.3
166.07736	0.3
167.07138	0.5
167.08521	3.1
168.09283	1.5
169.06439	0.4
169.10091	6.7
171.08000	2.4
171.11646	3.8
173.05873	0.6
173.09595	1.6
173.13206	10.4
174.13921	0.5
175.07509	5.3
175.11159	1.7
177.09099	1.2
178.07773	0.3
179.06990	6.5
179.08533	1.6
180.09314	1.0
181.06458	0.5
181.10051	4.0
182.07262	0.3
182.10834	0.3
183.08000	1.3
183.11653	3.3
185.09595	2.3
185.13266	1.5
187.07506	2.2
187.11162	1.4
189.05411	1.8
189.07498	0.4
189.09056	3.4
189.12714	0.4
191.06926	1.0
191.08521	0.4
191.14258	0.5
192.09286	1.2
193.10086	2.6
195.08020	1.1
195.11623	3.7
196.12476	0.3
197.09566	2.2
197.13225	1.5
199.07480	0.5
199.11134	1.4
199.14816	1.1
201.09085	1.3
201.12715	0.3
203.06995	2.7
203.08647	0.5
203.10715	0.5
205.08492	1.0
205.10120	1.0
206.10803	0.4
207.06444	0.3
207.11745	2.7
209.09526	1.2
209.13177	2.0
211.11209	1.4
211.14821	0.5
213.09088	3.7
213.12726	1.1
215.10583	2.8
215.14319	0.4
218.10837	0.4
219.11627	1.6
220.12505	0.5
221.09639	0.5
221.13243	2.3
223.11111	0.6
223.14772	1.0
225.09105	1.2
225.12637	0.4
227.10609	2.0
229.12122	1.0
231.09998	4.7
231.13881	0.3
232.12332	0.5
233.13203	1.4
235.11130	0.4
235.14734	1.4
237.09016	0.6
237.16278	0.4
239.10666	1.2
241.12178	0.6
243.10074	0.5
247.14839	1.6
248.15427	0.3
249.12598	0.6
249.16371	0.6
251.10643	1.3
253.12253	0.6
255.10139	0.4
255.13478	0.3
259.13043	0.3
261.16302	0.5
263.14365	0.6
263.17807	0.6
265.12143	0.4
267.13797	1.5
269.15314	0.3
272.15604	0.5
277.12292	0.6
277.19470	0.5
279.13754	0.3
281.15262	1.0
281.18680	0.3
283.13409	0.3
287.17987	1.1
291.13840	0.4
291.17270	0.5
293.15182	0.4
305.18918	1.3
307.16821	1.6
307.20367	0.3
309.18491	1.0
323.19928	3.5
333.18378	2.8
351.19519	4.2
369.20389	1.3
371.35086	0.3
387.21561	100.0
388.21869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2163
Annotation	17-Phenyl-pgd2
Peak:m/z	Relative Intensity
53.03928	1.2
53.06798	1.4
55.05489	9.2
58.92076	1.3
59.93436	1.3
67.05495	25.5
69.07047	3.3
74.66830	1.6
76.55875	1.6
79.05473	27.6
79.95115	1.6
81.07028	31.3
83.08589	7.8
83.64326	1.5
91.05457	33.8
93.07023	25.4
95.04922	3.6
95.08589	16.1
105.06353	2.9
105.07009	48.0
105.20853	1.6
107.04942	2.4
107.08569	38.0
109.06472	2.2
109.10142	20.5
115.05418	10.7
116.27311	1.6
117.06973	23.1
119.04893	2.4
119.08548	20.0
121.10124	9.6
128.06165	7.9
129.06967	23.7
130.07764	2.0
131.04854	6.4
131.08554	26.2
133.06442	12.4
133.10138	12.7
135.11671	8.4
140.07834	1.6
141.06976	15.3
142.07776	7.6
143.04912	2.0
143.08542	19.4
145.06464	3.9
145.10141	15.2
147.11670	17.4
149.05936	11.2
149.13211	9.8
153.06943	7.3
154.07753	10.8
155.08524	18.8
156.09331	1.8
157.06464	3.1
157.10123	18.8
159.08035	2.3
159.11673	17.5
161.05949	16.5
161.13190	8.4
165.06982	3.8
166.07744	2.3
167.08496	16.4
168.09242	2.1
169.06471	8.0
169.10091	32.8
171.08043	8.4
171.11668	3.5
173.05977	3.4
175.07587	6.0
177.09007	2.3
179.08517	6.9
181.06409	2.5
181.10074	15.9
183.08055	2.4
183.11650	11.3
185.09618	1.9
185.13173	3.0
189.05449	27.7
193.10117	6.8
195.08002	11.1
195.11682	10.2
197.09547	27.0
200.53923	2.0
201.09090	7.2
201.72224	1.8
203.10551	2.7
207.11626	3.7
209.09584	3.7
209.13216	3.9
211.11137	2.9
211.14575	1.7
213.09079	21.0
215.07130	2.4
215.10632	47.5
219.11766	2.5
221.13246	7.8
223.11107	3.5
227.10762	15.1
229.08604	3.1
229.12192	18.1
235.14702	2.5
241.08516	12.1
241.12164	18.0
243.10031	8.6
245.11690	1.9
249.12889	2.4
249.16371	3.4
255.10141	2.1
255.13840	2.4
263.17917	4.1
269.11847	5.6
276.48093	2.0
277.19318	8.4
305.18958	12.4
323.19977	72.5
341.21045	100.0
351.19510	29.1
363.75073	2.0
369.20523	46.9
387.21512	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	387.2162
Annotation	17-phenyl-trinor-PGE2
Peak:m/z	Relative Intensity
55.01856	5.2
55.05500	8.4
56.81455	2.7
56.96564	3.4
59.07991	3.3
67.05490	41.8
69.03425	4.3
69.07053	7.5
73.28028	3.2
73.33155	3.3
75.37879	3.7
76.56190	3.6
79.05476	46.5
81.03380	5.0
81.07043	28.0
85.02877	4.5
91.05449	52.7
93.07024	70.7
95.04945	25.8
95.08584	30.4
97.06519	6.1
105.07017	49.7
107.04926	5.1
107.08578	24.5
109.06512	26.6
109.10130	16.3
115.05380	6.3
117.06992	21.4
119.08564	38.6
121.06493	8.8
123.08054	4.6
125.05979	14.3
128.06172	17.7
129.06985	35.0
129.96614	4.7
130.07764	5.5
131.08542	39.9
133.06448	5.0
133.10136	25.3
135.11693	4.5
137.05978	4.8
141.06960	35.8
142.07748	24.6
143.08551	48.0
145.06511	16.6
145.10114	41.9
147.08049	8.5
147.11690	6.3
149.13165	3.9
153.05473	6.0
153.06935	16.9
154.07726	16.5
155.08511	50.7
156.09291	4.9
157.10104	22.8
159.07971	5.9
159.11653	6.3
165.06969	30.2
166.07762	31.3
167.08551	34.1
168.09277	7.4
169.10094	56.3
171.08058	5.9
171.11656	19.7
173.09647	8.9
173.82370	3.8
178.07713	7.4
179.08466	44.1
180.09320	7.6
181.10091	43.9
182.07123	4.4
183.07996	7.4
183.11563	25.8
185.09573	7.5
185.13208	15.3
187.07561	7.5
192.09384	9.1
193.10074	26.2
193.94383	3.7
194.10910	7.1
195.11717	30.8
197.09558	35.7
197.13164	14.3
199.11177	7.1
203.08533	5.1
205.10141	18.0
206.11037	4.6
207.11673	14.0
208.09167	3.7
209.09590	22.6
209.13261	19.1
211.11031	12.2
213.12823	3.9
215.08743	4.0
215.10683	5.7
217.10033	6.9
219.11668	19.2
220.12450	5.6
221.13297	15.0
223.11124	6.9
223.14674	6.1
225.09053	28.7
225.16270	5.6
227.10732	6.8
231.11858	12.2
233.13239	8.1
235.14821	16.1
237.16356	5.5
239.10570	5.9
239.14343	4.2
243.10150	7.2
245.13158	14.7
247.14787	16.1
249.16377	6.3
251.14197	5.9
259.14819	5.1
267.14124	3.7
267.17310	7.0
275.14459	6.0
277.12210	5.2
277.19455	5.1
281.15381	5.3
293.15396	5.2
305.18921	27.4
307.17014	8.1
309.18381	16.5
323.19946	23.7
333.18454	44.7
343.18411	3.8
348.59116	3.6
351.19476	100.0
355.17114	4.4
369.20599	67.1
387.16623	4.3
387.21609	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03927	1.9
55.01871	4.9
55.05507	19.2
57.03428	6.1
59.04987	1.9
61.02907	2.6
65.03920	2.1
65.80465	1.0
67.05492	14.7
69.03416	26.0
69.07048	8.2
71.04974	12.5
72.08132	4.8
73.02903	1.9
77.60426	1.1
79.05470	17.3
79.22222	1.1
80.78955	1.1
81.03402	6.0
81.07037	16.6
83.04967	17.0
83.08606	1.2
85.02890	27.0
91.05450	22.3
93.07015	22.7
95.04949	9.9
95.08580	19.2
97.02867	10.8
97.06523	5.4
99.04436	9.0
103.05430	2.1
105.07011	41.4
107.04956	7.4
107.08575	47.9
108.05730	1.3
109.02874	1.7
109.06499	86.4
109.10136	21.2
110.07269	1.6
111.08074	7.5
117.07013	6.4
119.08550	55.5
119.09386	2.2
121.06489	16.4
121.10114	58.5
122.07252	1.7
123.04407	6.3
123.08033	20.0
123.11671	2.7
125.09589	2.2
127.03909	1.9
129.06996	2.0
131.08540	11.5
133.06482	9.9
133.07394	1.5
133.10095	38.4
135.08026	84.1
135.11682	6.4
137.09595	100.0
137.13255	2.2
138.06656	1.8
139.11163	2.1
143.08562	7.5
145.04977	1.6
145.06493	1.9
145.10098	10.7
147.08038	30.1
147.11670	37.2
149.09598	71.7
151.07565	5.7
152.08353	7.3
153.09076	27.1
156.09305	13.2
159.08023	5.2
159.11635	5.7
160.08806	1.7
161.09589	6.8
161.13214	39.9
161.14522	2.1
163.11168	11.8
165.09074	1.9
165.12703	22.5
171.11655	15.4
174.10364	8.2
179.14259	17.3
189.12691	52.5
207.13770	68.5
225.14828	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22394	0.6
53.03921	0.9
55.05511	6.6
57.03421	0.7
59.04991	11.6
61.02915	0.9
62.74860	0.8
67.05502	11.0
69.03408	6.2
69.07044	1.9
71.04972	1.2
79.05475	6.8
80.99585	0.8
81.03375	1.4
81.07040	8.3
85.02901	12.8
91.05457	10.1
92.09428	0.9
93.07030	12.8
95.04930	5.2
95.08583	6.4
97.02867	1.9
97.06488	0.9
101.06008	1.1
103.05436	1.1
105.07021	23.2
107.04935	1.2
107.08580	36.2
109.06511	22.9
109.10130	15.3
117.06964	0.9
119.08572	24.1
121.06461	4.2
121.10135	5.8
122.07231	1.8
123.08054	27.7
127.03823	1.1
128.75389	0.9
129.06973	0.9
133.06471	1.7
133.10114	5.6
135.08035	10.7
135.11665	14.9
137.09596	100.0
145.04965	1.3
145.10100	1.6
146.58434	0.8
147.08009	3.2
147.11667	12.2
149.09564	6.2
151.07492	4.3
153.09142	6.4
156.09285	2.0
159.11607	1.1
161.09677	1.1
161.13223	14.9
163.11108	0.9
171.11646	3.3
177.12660	1.3
189.12700	10.1
207.13821	12.0
225.14766	3.5
350.91928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
50.16607	0.8
51.22685	0.9
55.05503	4.9
57.07061	4.4
62.01618	0.9
66.89812	1.0
67.05495	22.0
69.03410	2.2
69.26567	0.9
76.02445	1.0
79.05463	1.8
81.07046	1.8
85.02903	2.3
85.06529	11.7
89.22296	1.0
90.49552	1.0
91.05444	4.0
93.07005	8.5
95.04950	1.4
95.08586	100.0
105.07012	6.7
107.08591	7.9
109.06516	2.3
113.05994	5.9
119.08555	16.5
121.10129	8.1
123.08039	26.5
123.11644	1.4
128.26382	1.1
135.11668	9.9
147.11676	4.4
149.09605	25.7
161.13228	7.9
163.11125	1.6
165.12717	4.3
175.37567	1.0
179.14293	1.8
189.12662	10.5
207.06511	1.2
207.13760	27.9
212.39793	1.1
257.33759	1.1
301.23740	1.1
347.25467	1.1
405.69901	1.1
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	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03935	7.1
54.81867	1.4
55.01854	2.7
55.05499	8.6
57.03421	8.2
57.07057	2.7
58.51231	1.3
61.02914	12.5
67.05493	23.0
69.03416	66.7
69.03799	2.3
69.07047	12.3
70.98676	1.4
71.04975	7.4
73.02901	3.5
79.05476	16.3
81.03415	15.8
81.07037	27.1
83.04954	6.2
85.02888	58.8
85.06516	2.3
87.04439	8.8
91.03933	2.5
91.05460	17.5
92.08804	1.6
93.07034	20.4
94.03205	1.7
95.04939	8.8
95.08579	94.0
97.02882	25.9
97.06489	6.5
98.12646	1.5
98.73050	1.3
99.04451	3.0
105.03409	1.8
105.07013	50.0
107.04942	1.9
107.08567	20.7
109.02860	7.5
109.06503	15.3
109.10149	19.3
111.08067	3.0
117.03353	3.8
117.06968	2.9
119.04876	2.3
119.08556	81.6
120.09402	1.7
121.10119	44.2
123.04407	7.8
123.08029	21.1
123.11644	1.8
127.03867	6.5
129.06963	2.0
131.08516	8.4
133.06505	17.5
133.10100	66.2
135.08022	6.5
135.11670	86.0
137.09602	38.7
137.13245	6.8
139.11150	20.3
145.02824	8.8
145.04962	2.0
145.10074	6.5
146.03162	10.4
147.07996	13.7
147.11667	45.5
149.09583	50.5
151.07487	12.3
156.09325	11.0
159.08002	8.9
159.11601	3.8
161.09631	2.9
161.13223	100.0
163.11130	5.7
165.12709	2.5
171.11646	14.4
174.10370	20.2
177.05411	11.5
177.12817	2.1
178.05814	12.8
179.14270	3.6
189.12706	71.9
207.06511	1.9
207.13759	76.0
225.14809	31.8
252.69066	1.7
387.12122	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	387.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79844	2.5
53.71286	2.4
55.01863	36.9
55.05493	5.1
67.05482	17.5
68.75301	2.7
69.07032	11.6
69.39646	2.7
71.20242	2.6
78.04697	3.1
79.05476	44.0
81.07029	20.8
85.06549	3.2
86.90089	2.9
89.36745	2.7
91.05450	26.8
93.07027	27.2
95.04918	25.9
95.08568	14.3
102.04735	3.8
103.05450	13.8
105.07011	29.1
107.04935	47.7
107.08579	14.2
115.05445	16.8
117.07013	5.7
118.04267	3.3
119.04942	4.9
119.08578	7.2
121.02821	3.7
121.06439	5.9
121.10072	6.5
123.04396	19.5
123.08072	5.3
124.05194	4.5
125.05929	4.0
126.05035	3.6
130.04131	7.2
131.04935	39.6
131.08565	7.2
132.05627	13.4
133.06502	3.9
133.10085	5.0
134.03622	14.1
135.04398	4.1
137.05960	50.3
143.04924	4.1
143.08548	4.9
144.05693	6.0
145.02814	4.4
145.06470	12.1
145.10136	5.7
146.03651	4.5
147.04427	14.5
149.05914	11.8
150.33755	3.2
151.03865	6.8
152.04691	13.3
155.04881	11.5
155.06058	3.9
157.10081	4.9
159.07980	5.5
159.11714	3.5
160.05164	7.4
161.05887	5.4
165.05498	4.5
165.06949	6.4
167.07021	72.8
172.05164	5.8
175.03873	2.9
175.07483	7.8
177.05429	23.1
177.06825	3.0
178.07755	17.6
179.08527	5.0
180.04091	5.6
181.04944	4.4
187.07494	4.9
189.07039	13.0
190.07727	13.0
191.06941	23.8
191.08589	14.4
192.07751	5.9
193.30055	3.3
195.06532	18.0
195.08086	4.9
200.04741	5.3
202.07784	20.4
203.08536	18.2
205.06442	31.6
206.07248	19.7
207.08179	6.8
215.06941	17.0
217.06480	6.8
218.07254	18.4
219.08038	41.4
220.08778	7.7
221.05896	15.1
221.09578	17.4
222.06741	5.5
223.07449	6.8
230.07239	3.6
231.08029	35.9
233.05960	24.9
234.06667	39.4
235.07458	21.5
236.08305	4.2
237.09053	7.5
239.07001	3.4
244.05130	4.7
245.05812	12.1
246.06697	15.8
247.07434	37.9
248.08347	34.1
249.05351	12.3
249.09016	28.8
250.06180	5.5
251.06889	17.5
258.06677	4.7
259.07486	34.0
260.08408	7.2
261.05426	15.9
261.09094	4.6
262.06168	22.8
263.07010	28.3
264.07733	12.1
265.08542	19.1
266.09158	3.5
272.04636	6.4
273.05698	5.4
274.06464	5.0
275.06992	19.1
276.07712	33.9
277.04526	3.4
277.08557	41.1
278.05722	4.2
278.09341	13.8
279.06430	12.8
279.10153	16.3
286.06308	3.9
287.06924	23.3
288.07816	4.7
289.04996	3.8
289.08380	7.8
290.09302	4.6
291.10065	32.5
293.08041	23.6
294.08838	6.5
304.07269	7.3
305.08011	68.6
306.08679	6.6
307.06036	5.3
307.09482	20.5
308.10251	4.9
309.11017	12.2
319.09561	49.4
321.07443	7.7
322.08273	6.0
323.09174	5.5
336.09744	6.4
337.06509	6.5
337.10599	100.0
338.11411	4.2
339.08597	3.8
339.12271	22.8
351.12244	42.2
357.13138	16.6
369.13199	50.5
387.14313	14.5
387.21460	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
53.68816	0.7
55.01858	1.4
55.05497	5.0
57.03143	0.9
57.03426	27.9
57.07059	4.4
59.04989	12.4
61.02904	6.6
69.03411	81.7
69.07046	5.3
71.04957	2.3
73.02881	3.7
75.04456	4.1
80.85801	0.9
81.03408	9.7
83.04958	6.2
85.02887	100.0
85.06525	1.3
87.04450	49.3
91.03942	1.9
97.02865	66.8
97.06503	1.2
99.04446	4.5
101.02362	1.2
101.05994	5.5
101.66078	0.9
103.03938	1.6
107.04937	1.6
109.02856	6.7
110.89314	1.2
111.04414	1.3
115.03909	55.9
115.07481	3.2
119.07049	1.1
125.02224	0.9
127.03893	18.4
133.04930	52.1
145.04938	26.8
150.07584	2.3
154.80498	0.9
163.03835	4.7
163.05934	12.9
169.05081	1.3
175.06049	1.2
186.84966	0.9
187.05957	1.4
189.11182	1.6
219.12271	1.5
239.31186	1.0
241.06886	1.6
245.10146	1.8
259.08069	6.2
259.87668	1.1
277.09241	1.0
295.10150	6.6
339.37643	1.1
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
50.93264	1.1
53.00283	1.1
53.03946	1.5
54.81629	1.3
55.01860	2.2
55.05505	8.4
57.03429	28.1
57.07068	2.0
58.83801	1.0
59.04987	15.0
59.47838	0.9
61.02911	5.0
61.95766	1.0
69.03417	77.8
69.07043	5.2
71.04985	2.3
73.02907	1.9
75.04475	2.7
81.03403	9.2
81.07037	1.6
83.04957	11.4
85.02891	100.0
85.06522	2.7
87.04452	49.4
91.03917	2.0
97.02873	64.1
99.04438	4.9
101.05988	7.6
103.03895	1.3
109.02866	12.5
115.03907	53.6
115.07549	4.3
119.04899	1.3
119.07034	2.7
127.03899	23.1
133.04941	48.3
133.05922	1.9
135.05653	1.2
145.04916	29.1
150.07590	2.8
163.03918	2.0
163.05966	12.9
167.03416	1.4
169.04939	1.1
174.13326	1.1
189.11287	4.1
219.12329	1.8
223.06007	1.4
233.12474	1.1
235.86699	1.3
241.06873	1.5
242.95552	1.4
245.10202	2.6
248.57040	1.1
259.08096	1.6
263.11298	1.5
275.11188	2.2
276.09244	1.9
277.09143	4.4
295.10342	6.1
315.14359	1.3
333.15439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01860	8.3
55.05492	11.7
57.03431	19.3
59.04996	18.3
61.02916	13.3
69.03418	38.4
70.06567	1.7
71.01325	3.2
71.04964	3.5
73.02901	61.5
81.03399	8.9
83.04960	13.4
85.02888	100.0
87.04430	2.4
89.03906	2.5
89.06009	2.2
91.03936	1.9
91.05415	1.8
92.08476	1.7
95.04936	2.3
97.02873	52.8
98.97541	3.0
99.04425	7.7
101.06011	13.5
103.03899	2.6
107.04943	15.5
107.08524	1.8
108.05266	9.3
109.02852	15.6
111.04431	3.0
115.03914	21.7
117.03378	2.6
119.07027	2.9
121.06464	2.9
123.04359	2.2
127.03889	29.8
133.04955	19.4
135.04353	12.4
136.07535	2.0
137.05937	8.2
145.02867	6.7
145.04921	35.6
147.04356	2.3
163.03870	38.4
163.05981	8.9
187.05997	2.7
189.11259	2.6
194.08150	2.2
209.08090	2.1
219.12207	1.9
227.09111	2.0
237.00644	2.1
237.02777	1.8
241.07024	4.0
245.10202	7.3
259.08047	9.0
275.11411	2.3
295.10184	7.8
380.55551	2.2
386.14539	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.81759	0.9
55.01860	1.3
57.03429	30.5
59.04979	4.9
60.04505	3.1
61.02919	6.2
69.03416	82.2
71.04964	3.6
73.02885	5.1
75.04446	4.2
81.03392	5.1
83.04948	0.9
85.02891	100.0
87.04453	53.8
91.03953	4.2
97.02872	61.1
99.04416	4.0
103.03914	1.3
109.02879	6.0
115.03908	50.3
123.04388	1.0
127.03899	17.6
133.04951	50.4
145.04942	24.4
150.07596	4.6
163.05965	8.8
217.09322	0.9
237.13176	3.3
241.07188	1.3
259.08072	2.1
277.09064	1.5
282.80542	0.9
295.10217	4.0
385.11792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.1
56.51067	0.8
57.07054	4.8
63.66287	0.9
67.05495	23.7
69.07055	29.0
71.04972	10.1
71.08624	0.8
79.05474	16.5
81.07036	48.3
83.08610	11.1
85.06526	74.4
91.05449	10.5
92.08608	1.6
93.07020	42.3
95.04926	1.7
95.08582	100.0
97.06490	7.4
97.10149	6.0
100.48768	0.8
105.07007	21.1
107.08574	60.5
109.10137	38.7
109.10851	1.8
111.08033	1.7
114.60896	1.0
119.08556	21.0
121.10120	44.9
123.11681	15.8
125.09593	3.9
131.08537	3.9
133.10091	15.0
135.11667	27.2
137.13240	9.5
145.10106	5.1
147.11664	15.4
149.13232	19.2
149.23148	0.8
151.14745	2.1
159.11658	5.3
161.13257	11.3
162.71877	0.9
163.14783	9.6
173.13243	2.0
175.14815	6.0
177.16336	8.4
179.14230	1.3
181.12193	1.1
181.15898	1.3
187.14752	1.6
188.66042	1.1
189.16338	4.2
191.17906	35.2
191.19633	1.2
193.15837	5.4
195.17403	4.3
201.16302	3.3
203.17854	6.2
205.19481	4.8
215.17908	1.7
217.19446	9.4
229.19409	1.3
243.20891	1.1
257.22595	1.9
357.25406	0.8
379.13889	1.1
385.34583	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	385.3098
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
52.20269	4.6
53.03930	4.9
54.82133	4.7
55.05492	25.2
57.07042	8.8
57.64048	5.0
67.05491	52.6
69.03408	32.6
69.07039	33.1
71.08601	6.5
79.05481	44.4
80.88966	4.7
81.07024	78.9
83.08607	23.7
91.05457	47.8
93.07024	77.3
95.04946	45.7
95.08572	100.0
97.06492	7.6
97.10155	8.0
105.07017	75.2
107.08571	99.5
109.06535	7.0
109.10132	46.7
111.08105	8.6
117.07003	9.8
119.08562	76.6
121.10113	73.6
123.08083	7.1
123.11684	21.3
131.08543	11.9
133.10109	66.1
135.08049	38.7
135.11688	56.0
137.13251	7.8
145.10052	41.0
147.11632	40.6
149.13277	28.2
157.10127	8.1
159.11652	27.7
161.13193	38.8
163.14767	21.6
165.12778	6.5
171.11720	8.3
173.13208	9.2
175.14792	7.6
177.12708	11.7
179.14275	8.7
187.14740	8.9
189.16393	29.0
191.17923	24.9
199.14853	9.4
201.16408	10.3
203.17885	9.7
207.17355	7.4
215.17854	8.2
293.21100	35.8
367.29825	35.5
385.31100	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01868	1.2
55.05506	5.7
57.03432	20.0
59.04984	4.0
61.02915	7.8
61.16803	0.6
69.03416	52.5
71.04960	1.7
73.02894	4.7
73.06534	27.3
75.04482	1.3
81.03394	6.6
83.04984	1.1
85.02891	100.0
87.04450	27.1
91.03931	3.8
97.02871	43.8
99.04433	4.4
101.06001	1.0
103.03941	1.2
109.02872	7.3
114.74266	0.8
115.03912	24.5
127.03893	20.5
133.04942	21.0
145.04947	22.8
151.27747	0.8
163.05975	11.7
216.48782	0.8
253.12726	6.1
354.53857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50059	1.7
55.01864	9.9
55.05485	2.4
57.03431	19.0
59.04995	2.0
61.02909	11.0
67.05462	2.1
69.03411	46.5
71.01344	2.9
73.02906	8.1
79.05461	3.7
81.03389	3.2
81.07010	2.4
83.01290	2.1
83.04966	8.8
84.73388	1.8
85.02884	59.0
86.03215	3.1
87.00780	2.3
87.04440	28.8
91.05458	3.8
92.08950	9.0
95.01294	2.3
95.04948	3.1
96.02693	1.8
97.02860	28.9
97.06507	3.8
98.03224	2.4
101.02319	2.9
103.05468	15.3
105.07019	4.8
107.04936	42.2
108.04474	10.6
109.02859	2.2
111.04424	3.7
113.02311	2.3
115.03900	25.3
115.05409	8.3
115.97684	2.0
116.04285	2.6
118.04103	4.2
119.03371	8.2
119.04945	3.8
121.10026	2.5
123.04497	2.2
127.03897	3.3
128.06125	2.3
129.06967	3.0
131.04886	36.9
132.05710	3.9
133.04939	19.2
133.06483	8.2
139.03886	2.2
141.06956	21.5
143.03351	2.9
143.04921	2.4
144.05609	3.7
145.04955	3.4
145.06471	4.3
146.03587	3.1
146.05235	2.2
147.04376	9.0
155.04903	4.7
157.02786	2.8
157.06490	13.1
158.03566	2.3
158.07220	3.8
159.04391	8.9
159.07973	2.4
160.05099	3.0
161.05927	23.5
163.03786	3.3
165.05421	2.5
166.08633	3.1
167.06956	3.7
169.06424	20.0
169.12207	3.2
170.12596	2.0
171.04388	5.1
173.05988	4.6
174.03050	2.4
175.03951	3.3
175.07439	2.4
176.04646	8.2
177.05493	8.6
180.07809	7.9
181.04965	3.3
182.08118	3.0
185.05984	12.1
186.06738	9.5
187.03876	26.6
187.07541	9.8
188.04645	3.7
189.01820	8.0
189.05403	23.7
190.06102	2.9
191.06981	38.4
193.08614	2.1
197.05952	17.8
199.01823	4.3
199.03926	3.8
199.87653	2.4
200.04654	8.0
201.05380	3.4
203.03470	3.8
204.04134	26.1
204.07799	4.0
205.08604	6.3
207.06377	4.4
211.07613	2.6
213.05444	4.7
214.06239	9.3
215.06995	25.0
216.04240	4.8
217.04979	14.8
217.08481	2.7
218.05681	8.3
219.06512	24.0
220.03685	2.2
221.08035	4.0
229.08585	10.2
230.05765	2.7
231.06525	11.1
232.07225	3.4
233.08084	3.9
243.06392	16.3
245.04361	19.9
245.07954	8.0
247.09668	12.0
249.03403	3.3
257.08026	13.5
260.06729	41.4
262.04907	3.1
275.09052	100.0
277.07059	20.7
287.05450	10.2
319.08197	14.8
325.04987	8.8
337.09152	12.3
385.14627	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	385.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.3
55.05502	4.1
57.03426	4.0
58.07653	1.0
59.04998	1.4
59.06100	1.3
61.02911	7.8
61.58991	0.8
67.05486	2.0
67.07539	1.0
67.10246	0.9
69.03400	6.2
69.07054	8.7
71.04974	1.2
73.02876	1.1
79.05458	4.9
81.03403	4.4
81.07018	5.8
83.04958	1.6
84.88374	0.9
85.02881	12.7
85.06490	1.2
87.04462	7.0
91.05450	9.4
93.06986	4.9
95.01313	5.1
95.04920	4.3
95.08595	4.3
97.02881	3.9
97.06483	1.6
97.10133	1.6
99.04414	1.8
103.05432	5.7
105.03341	2.3
105.07011	23.6
107.04948	10.5
107.08567	4.7
108.04445	4.2
109.06557	1.0
111.00784	1.5
113.02365	2.4
115.05441	8.0
117.07006	8.9
119.04900	1.7
119.08543	5.1
121.06473	5.6
121.10072	1.6
122.09644	1.4
123.04382	1.7
123.08055	1.2
125.09626	2.4
126.09959	1.5
127.11188	1.3
128.06189	1.7
129.06989	2.0
130.07736	1.2
131.04907	12.0
131.08562	4.7
132.05687	4.2
133.06468	23.2
133.10124	1.1
134.03569	1.1
135.04395	4.5
135.08026	4.5
137.05885	1.0
143.06053	1.1
143.08664	1.2
143.10641	6.9
144.09326	2.3
145.02783	1.3
145.04903	1.6
145.05370	1.3
145.06461	15.4
146.03584	3.9
147.04422	7.7
147.08018	1.6
148.05183	9.1
149.05951	4.5
151.07527	4.9
152.04758	1.2
157.06480	2.5
159.04362	4.0
159.11688	6.0
160.05202	4.0
161.05951	29.8
161.09579	1.1
163.03888	9.8
163.07481	3.8
163.11099	1.6
165.00050	1.0
165.05434	1.8
166.08611	1.3
167.07005	100.0
168.06534	2.2
169.06448	2.2
169.12180	8.5
170.12540	2.5
172.05254	1.4
173.05994	9.4
175.07504	1.8
176.04692	10.4
177.05412	12.0
177.12666	1.9
178.06169	10.0
179.07060	7.1
180.04230	1.4
181.08571	18.2
182.04414	1.3
182.08148	1.9
184.05064	1.5
187.03900	1.9
187.07544	1.2
187.11168	1.5
187.13205	3.9
188.04677	1.2
189.05426	6.9
190.06183	5.0
191.07031	9.2
192.07835	2.0
193.04887	4.1
193.08569	33.7
194.05733	12.9
195.06546	8.0
197.08072	2.1
199.07439	2.0
201.05504	2.1
205.04999	1.4
205.08636	9.8
205.12196	2.4
206.05731	1.9
207.06514	9.3
209.08084	28.0
211.06058	1.8
211.09662	6.2
213.05452	1.2
215.06993	1.5
219.06503	6.6
220.07248	2.4
221.08102	8.4
223.09599	2.2
227.07060	1.2
229.05013	1.4
231.06563	1.9
233.08051	5.5
237.07565	9.6
239.09082	6.9
245.08066	1.7
247.09550	1.5
249.07506	4.6
251.09146	2.0
255.08623	9.5
261.07492	1.7
269.10144	5.3
275.09152	2.0
277.06958	1.7
279.08469	1.2
293.10037	4.3
297.09494	4.4
300.14624	1.1
303.08582	2.1
321.09677	25.9
323.11230	15.1
329.12350	2.2
331.07996	1.7
339.10657	12.4
349.09088	20.5
357.11710	17.7
367.10239	1.8
368.62225	1.3
385.10345	1.2
385.14691	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	385.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32571	0.7
52.64259	0.7
53.03939	1.6
54.32519	0.8
55.01857	8.0
55.05496	6.2
57.03418	15.7
59.04979	1.8
59.76028	0.7
59.78453	0.7
61.02910	8.2
67.05498	1.2
69.03410	40.6
71.04970	1.8
73.02887	5.1
73.06519	3.4
75.04446	1.7
78.04692	0.9
79.05471	6.5
81.03386	5.4
83.01322	2.1
83.04955	1.7
85.02885	79.8
87.04447	22.2
89.05975	1.9
91.03922	1.7
91.05450	3.8
92.08923	1.7
92.64265	0.9
95.04929	5.5
96.29564	1.0
97.02259	1.6
97.02863	34.7
99.04405	3.8
101.02332	1.0
101.05978	5.5
103.05436	9.0
105.07007	81.8
107.04919	1.9
109.02857	7.3
111.04431	0.9
113.05951	0.9
115.03902	17.9
115.05419	19.5
117.06973	4.6
118.04116	4.9
119.04950	1.4
123.04381	9.3
127.03886	17.5
131.04889	5.5
132.05656	1.6
133.04987	12.9
133.06458	76.0
140.04663	3.2
143.04881	3.3
143.06027	6.1
144.05672	1.2
145.04941	21.1
145.06442	9.4
146.03551	0.8
147.04390	3.7
147.07993	1.1
151.03896	1.1
155.06982	3.4
157.06407	0.9
160.05188	1.8
161.05936	100.0
163.03923	1.1
163.05975	7.9
163.07373	2.0
164.07014	0.9
167.06987	30.7
171.04288	1.0
172.05113	1.5
173.05965	4.8
175.03914	3.9
175.07503	3.4
177.05312	1.3
179.06987	1.3
181.04935	1.0
183.06491	1.1
185.05917	1.3
187.03897	0.9
187.07431	1.7
189.05534	1.9
190.06245	2.2
191.06940	3.7
192.07765	0.9
193.08563	41.5
200.04747	0.9
201.05458	4.5
203.07172	1.5
205.08592	5.7
206.09358	1.0
207.06464	10.6
209.07877	1.0
213.05647	1.2
216.61263	0.9
217.04991	1.1
217.10625	1.1
219.06470	4.0
220.07350	1.1
221.07990	2.1
229.05000	3.4
231.06403	1.5
233.04401	7.0
233.07991	5.7
236.03084	1.0
247.06116	0.9
249.07570	1.6
251.09099	14.9
253.12613	3.1
261.07520	8.8
263.08905	1.3
275.09061	3.5
277.06839	1.4
289.06961	1.6
293.10281	1.2
305.10208	1.0
307.08035	4.9
319.07919	1.2
357.63351	0.9
367.09750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.9
53.03951	1.7
54.42463	0.7
55.01856	1.0
55.05505	2.3
55.18863	0.9
55.94532	0.8
57.03416	1.2
57.07066	1.3
57.65384	0.8
59.04979	2.2
59.93999	0.9
61.02905	4.4
61.77976	0.9
63.03734	0.8
65.85007	0.9
67.05502	7.4
69.03415	8.9
69.07051	14.6
71.04974	36.8
71.13374	0.9
79.05077	1.4
79.05468	10.9
81.03387	2.3
81.07038	94.1
83.04955	6.8
85.02893	27.7
85.06509	3.1
87.04454	1.3
91.05463	1.8
93.07043	6.6
95.04956	1.4
95.08572	8.1
97.02875	6.0
97.06517	8.6
97.10157	2.2
99.08058	7.7
101.05981	1.0
105.07007	4.1
107.08583	18.4
109.02842	1.9
109.06509	5.1
109.10143	25.3
111.08058	3.7
111.11683	10.0
121.06472	2.3
121.10078	1.7
123.11685	27.5
127.03880	3.5
127.07561	2.1
133.10097	6.4
139.11177	14.2
145.04947	1.9
151.11159	35.4
155.07031	1.2
157.12228	17.6
159.10155	1.0
169.12195	32.7
187.13252	100.0
189.97385	1.0
205.14323	12.8
261.67303	0.9
281.11023	1.2
285.81009	1.0
310.51859	0.9
349.18399	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
54.22295	0.3
55.01868	0.4
55.05503	10.3
57.03429	1.0
57.07067	0.9
59.04989	1.0
61.02911	2.1
67.05492	42.2
68.47912	0.4
69.03412	4.4
69.07059	2.1
71.04956	0.9
73.02907	0.8
73.06536	0.6
77.43206	0.4
79.05487	0.9
81.03400	2.3
81.07040	99.8
81.20045	0.4
83.05031	0.4
83.08604	3.7
85.02893	15.5
85.06515	2.0
89.80096	0.4
92.09352	0.8
95.08590	2.0
97.02860	5.6
97.06509	0.6
97.10168	3.8
98.03243	0.4
99.04411	0.6
109.02847	0.9
123.11683	100.0
127.03907	1.7
133.72668	0.4
141.12724	80.5
145.04918	0.6
187.13258	34.7
205.14316	9.2
207.06335	0.6
235.43069	0.4
255.13873	0.5
274.42938	0.5
362.19366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71113	1.0
53.00294	1.8
55.01839	1.8
55.05492	6.8
55.50037	1.0
56.88338	1.2
57.03145	1.6
57.03428	39.6
58.89635	1.0
59.04999	9.7
61.02909	5.5
61.47214	1.0
67.05488	4.2
69.03414	100.0
69.07047	7.6
71.04971	7.9
73.02883	6.7
74.88452	1.1
75.04464	9.4
79.05467	5.0
81.03397	10.5
81.07037	8.4
83.04975	6.7
85.02888	96.8
85.06526	1.8
87.04452	65.6
88.67628	1.3
91.03912	2.3
93.07018	5.7
95.04931	2.9
95.08573	2.9
97.02868	67.9
97.03492	2.3
97.06509	7.5
99.04452	4.7
101.05995	2.8
105.05458	1.3
105.07009	1.6
107.04909	4.4
107.08581	2.2
109.02876	5.1
109.10159	2.1
113.05958	2.6
115.03908	55.0
117.05453	1.9
119.64191	1.2
123.04425	1.3
123.08024	4.7
123.11676	1.9
127.03886	13.2
130.06514	1.5
133.04938	53.8
135.04330	1.3
139.07507	1.9
139.11139	1.8
141.09004	1.5
145.04913	24.9
150.07596	2.5
151.07472	1.7
151.11060	1.7
163.03891	2.2
163.06033	5.0
169.08606	2.0
169.12213	10.5
176.07034	2.7
187.09586	5.2
189.11186	1.8
190.11375	1.5
217.10751	2.0
259.08032	2.5
272.02066	1.4
295.10291	1.4
385.14417	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	384.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
55.05499	9.6
57.03172	1.7
57.03424	30.7
59.04969	8.9
59.05223	1.1
60.04509	1.3
61.02902	6.3
64.21949	1.5
67.05467	1.9
69.03414	93.3
69.07045	3.3
70.25188	1.1
71.04963	9.2
73.02886	3.4
73.06520	1.5
75.04456	7.4
75.20319	1.3
79.05486	2.6
81.03386	6.2
81.07027	5.3
83.04953	7.5
85.02886	100.0
85.06507	1.3
87.04449	61.0
91.03926	2.2
91.05466	5.3
93.07018	5.4
94.07348	1.5
95.04954	2.8
95.08563	1.7
97.02869	67.2
97.06486	3.0
99.04457	4.8
101.05965	4.7
103.03888	1.6
107.04932	3.2
109.02850	6.7
111.04435	1.9
111.08030	2.8
114.47979	1.5
114.60972	1.4
115.03905	58.4
115.04716	1.9
118.19917	1.4
119.04915	5.1
121.06545	1.5
123.04398	2.3
123.08015	1.8
123.11638	1.4
127.03896	14.6
129.05421	1.6
131.04868	2.5
133.02821	1.9
133.04941	58.1
133.05986	2.1
133.06415	2.2
139.11063	1.4
141.06932	1.8
145.02995	1.4
145.04907	19.9
147.04349	7.0
150.07677	3.8
151.03818	2.0
151.07549	1.7
161.06006	1.4
163.05991	6.7
165.05464	1.9
166.06207	1.7
167.07002	2.7
169.04961	1.7
169.08778	1.5
169.12190	11.6
175.03844	8.3
176.06985	2.5
177.05550	1.7
180.07800	1.7
181.04945	7.8
190.06235	1.7
191.06978	3.0
207.06485	8.3
208.07256	6.8
215.07153	1.5
217.04936	5.2
259.08035	2.7
260.06775	2.6
275.09164	7.4
294.24017	1.4
322.51254	1.5
338.13397	1.5
384.10428	2.6
397.30823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72190	0.4
53.00294	0.5
54.67870	0.4
55.04493	0.4
55.05498	2.0
57.03428	6.7
57.07035	0.4
69.03404	0.6
69.07042	0.5
71.08614	22.0
73.02898	3.1
75.04466	1.9
79.05466	3.1
81.07036	100.0
83.04951	0.7
83.25945	0.5
85.02886	12.4
95.01302	10.3
95.08579	1.1
97.02885	1.0
99.08072	39.9
105.07037	0.5
113.02314	4.1
117.09113	6.7
131.03389	2.4
141.01794	13.8
159.02875	1.2
173.11690	62.3
191.12741	30.5
196.37775	0.6
241.83641	0.6
261.43127	0.7
312.73291	0.6
324.52536	0.5
331.13852	0.7
337.80975	0.5
344.37491	0.6
349.14816	1.1
386.57980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18981	1.9
53.00314	3.1
55.01838	2.7
55.05505	27.4
55.70568	2.0
56.97380	2.5
57.07055	3.7
63.73269	1.8
64.36570	2.0
64.73144	2.0
67.05141	3.4
67.05494	75.0
69.06712	3.3
69.07054	66.6
71.04973	10.1
79.05473	32.3
81.07041	100.0
83.04987	3.6
83.08601	15.7
85.06531	8.8
91.05467	18.4
93.07024	34.1
95.04952	2.8
95.08008	4.1
95.08585	90.3
97.06503	3.7
97.10139	10.3
105.07013	13.5
107.08566	23.8
109.10146	49.1
119.08562	14.6
121.10151	26.7
123.08034	3.7
123.11681	17.4
131.08511	9.6
133.10123	9.6
135.11667	10.8
137.13261	2.9
139.11131	2.5
145.10121	11.3
147.11667	9.4
148.34682	2.3
149.13194	3.8
161.13232	11.2
173.13162	3.5
189.03148	2.4
233.55954	2.8
243.21085	4.6
246.42570	2.6
261.22037	13.8
264.09866	2.2
279.23151	36.6
297.24036	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	9.1
57.85535	0.3
60.09531	0.2
63.46671	0.2
71.95245	1.4
92.08691	0.6
98.97562	100.0
116.98602	86.6
134.99637	48.2
135.00430	0.9
140.00159	0.5
153.00697	9.1
158.01260	0.7
171.30789	0.3
174.97673	0.6
175.97760	0.5
181.03450	0.6
192.98740	1.8
193.98849	0.5
199.04489	1.9
216.98657	1.7
217.98778	0.6
219.01926	0.6
232.96597	0.7
233.96797	0.4
234.99754	7.4
235.99910	1.8
240.98547	3.0
244.55011	0.4
250.97725	1.3
251.97855	0.6
257.96698	0.5
258.99713	36.9
259.99841	1.2
261.02951	2.4
263.02881	0.4
274.97656	4.0
275.97583	3.1
277.00757	88.6
278.00903	2.3
279.00607	0.7
282.01309	0.5
282.99948	1.7
283.99991	0.4
292.98462	2.4
293.98773	0.5
295.01788	2.0
298.97745	1.9
299.97800	2.9
300.02365	1.7
301.01041	3.1
302.01190	1.3
303.00845	0.7
316.98755	4.5
317.98868	6.8
318.98593	0.5
341.99005	0.6
358.99811	1.5
359.99887	3.8
382.99695	0.5
401.00912	5.6
408.64948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01862	2.1
55.05507	4.0
57.03430	5.3
57.07063	1.1
59.04982	0.9
61.02895	2.4
63.17087	0.4
67.05483	3.4
69.03416	6.7
69.06714	0.7
69.07057	14.0
71.04972	6.9
73.02908	0.9
73.06503	0.6
79.05478	9.9
81.03408	2.6
81.07039	33.6
83.04958	4.1
83.08588	3.3
85.02420	0.8
85.02895	17.3
85.06518	0.9
87.04455	2.4
87.50282	0.6
91.05426	0.5
93.07026	24.5
95.04921	0.7
95.08586	20.4
97.02878	5.4
97.06494	7.9
97.10145	2.7
99.04443	0.6
99.08066	1.1
101.06004	0.7
105.07006	1.1
107.08562	2.5
107.58041	0.6
109.02879	1.0
109.06527	0.6
109.10155	0.9
111.08046	0.9
111.11726	6.7
115.07519	1.0
121.10129	33.0
127.03903	0.8
127.11185	0.6
139.11159	35.8
145.04993	2.1
147.04469	0.6
149.09621	0.9
153.83253	0.5
154.99858	0.6
157.12222	100.0
159.11681	0.6
167.10634	2.9
181.01215	0.6
185.11681	8.6
203.12758	39.0
212.11559	0.6
217.01149	0.5
303.03458	0.5
337.01791	0.5
352.55704	0.5
359.25317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12738	0.7
55.01857	2.2
55.05497	15.1
57.03430	8.7
59.04992	1.9
61.02909	4.2
63.45992	0.8
67.05492	19.1
69.03415	23.3
69.07053	42.6
71.04974	41.3
73.02891	0.9
73.06534	1.0
79.05474	40.3
81.03399	1.8
81.07033	22.7
83.04966	8.4
83.08585	1.1
85.02882	18.9
85.06519	4.0
87.03939	1.6
87.04447	37.5
91.05464	1.4
92.08850	3.8
93.03340	0.9
93.07019	69.9
95.04959	1.1
95.08583	55.0
97.02878	6.5
97.06507	18.0
97.10130	1.4
99.08150	1.0
99.49306	0.8
101.05983	7.8
105.06982	1.0
107.04920	1.0
107.08562	6.0
109.02844	1.6
109.10122	3.2
109.43622	1.0
111.04399	3.5
111.08037	1.6
111.11714	1.5
113.05917	1.3
113.09602	1.8
115.03916	22.1
115.07552	4.4
119.08569	1.0
121.10120	100.0
125.05970	1.8
125.09579	1.7
125.70627	0.9
127.07510	1.2
129.05444	4.2
131.08534	2.1
136.03847	0.9
139.11157	74.6
145.04951	1.8
149.02275	1.0
149.09575	7.4
157.12212	75.8
167.10654	9.6
171.10124	4.1
185.11697	36.0
203.12753	63.6
203.14717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10055	0.8
55.01850	9.4
55.05500	16.8
56.32885	1.0
57.03435	2.6
61.02918	1.5
64.33623	0.9
65.03928	1.1
67.05496	9.6
67.05791	1.0
69.03403	5.4
69.07045	19.6
71.04976	26.2
73.02888	1.2
74.40945	1.0
79.05462	19.6
80.55458	1.0
81.03409	2.0
81.07044	7.9
83.04955	9.3
83.08595	2.0
85.02882	25.9
85.06517	5.9
87.04453	20.7
93.07018	28.2
95.04957	1.5
95.08562	10.9
97.02861	5.4
97.06503	29.5
99.04391	3.9
101.02367	1.2
105.07014	6.9
107.08569	64.4
109.02857	1.1
109.74072	1.1
111.04407	7.8
111.08120	1.4
113.05980	100.0
115.03918	9.8
116.90493	1.1
118.73260	1.0
119.08536	2.7
121.10117	44.9
123.08051	6.6
125.05972	19.0
125.09601	73.7
127.03911	2.1
131.08549	16.3
136.12593	1.2
139.07455	1.1
139.11145	47.2
143.06996	1.3
149.09581	38.2
166.66306	1.1
167.10629	74.2
185.11687	98.4
203.12741	86.5
248.04269	1.2
290.76776	1.3
307.10779	1.3
367.23938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05495	5.0
57.03428	7.0
57.07049	0.9
59.05001	1.0
59.69477	0.7
61.02901	4.1
65.40372	1.0
67.05486	6.5
68.54950	0.7
69.03421	12.2
69.06708	1.2
69.07051	16.7
71.04971	14.7
79.05475	18.1
81.03379	4.2
81.07035	36.3
82.83086	0.7
83.04966	5.0
83.08604	3.1
85.02885	22.4
85.06524	1.2
87.04444	7.8
93.07022	30.0
94.07338	0.8
95.08578	26.3
96.21526	0.8
97.02867	7.4
97.06515	27.0
97.10143	2.1
99.04449	1.5
99.08037	1.7
101.05990	1.3
104.45779	0.9
105.06989	1.3
107.08578	9.1
109.02846	2.0
109.10149	2.0
110.07188	0.9
111.04463	1.3
111.08028	1.2
111.11684	7.9
114.37297	0.8
115.03916	4.6
115.07543	1.2
121.10115	49.1
123.11690	1.1
125.05952	2.0
127.03838	2.0
130.05170	0.8
131.08540	1.3
136.09406	0.8
137.06013	0.8
139.11157	47.7
141.50859	0.9
145.04907	1.4
149.09636	4.8
157.12212	100.0
167.10640	10.1
171.10081	3.3
171.76257	0.9
180.08623	1.2
185.11679	23.5
186.45111	1.1
189.11220	1.9
203.12738	54.1
256.42615	1.0
282.85959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34972	0.3
55.01862	1.5
55.05506	0.5
57.03429	6.6
67.05494	2.3
69.03418	0.8
69.07054	100.0
71.01340	0.7
71.04982	0.9
73.02901	2.5
73.06529	4.2
74.13982	0.3
75.04462	2.1
75.13872	0.3
76.54075	0.4
79.05482	1.9
80.61631	0.3
81.07037	0.8
85.02893	10.1
87.99202	0.3
90.87474	0.4
93.05484	0.4
93.07036	2.3
95.01310	7.2
95.08585	0.9
97.02882	1.5
97.06499	9.0
97.07117	0.4
99.00752	0.5
99.08066	0.5
103.03941	0.6
107.08534	0.5
113.02346	3.0
115.03910	0.4
115.07546	20.2
115.08358	0.7
121.10115	3.8
131.03384	1.5
139.11179	2.0
141.01813	10.0
157.12244	3.6
171.10124	36.1
176.81796	0.4
177.04039	0.4
185.11746	2.4
185.15388	0.4
189.11188	17.2
203.12825	0.8
257.95950	0.4
329.12198	0.6
344.34052	0.3
347.13272	2.6
374.33844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95341	2.3
54.94903	2.3
56.38541	2.5
88.70560	2.8
92.08622	3.4
92.09143	11.1
92.19630	2.7
102.68916	2.8
218.18658	3.0
367.50677	2.7
381.07901	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	382.1705
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
55.01868	1.0
55.05495	1.2
57.03423	1.3
57.07064	6.4
59.04976	4.9
59.79521	0.8
61.02908	1.6
66.84653	0.7
67.05486	4.4
69.03419	6.6
69.07051	5.1
70.02933	4.1
70.90980	0.6
71.04943	0.7
72.04504	17.3
73.02892	4.4
74.02430	1.0
74.06043	0.7
74.09708	0.8
76.07610	3.4
79.05480	0.8
81.03397	3.4
83.04960	6.1
84.05295	1.1
85.02892	12.7
85.06523	10.8
86.09683	2.8
87.08064	1.9
88.07607	11.9
89.03910	1.3
89.54488	0.8
90.05538	100.0
95.04945	6.8
96.08115	1.1
97.02850	5.0
98.02399	17.7
99.04427	1.4
100.03957	3.2
101.05986	1.6
102.05466	1.3
103.07571	6.7
107.08498	0.8
110.07166	1.2
111.08097	0.8
113.05992	3.8
116.03440	14.4
117.03381	1.2
121.06502	1.0
124.07571	23.0
127.03851	1.3
131.07027	1.3
135.04402	3.1
142.08621	10.1
145.02846	1.6
153.34854	0.8
160.09657	1.7
163.03888	9.8
166.08675	1.6
167.06944	1.1
167.10690	1.3
174.11214	1.7
184.09666	18.9
202.10716	29.1
220.11775	98.7
222.64908	0.8
303.77200	0.8
383.09344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01866	1.2
55.05499	2.5
55.40357	0.5
57.03419	1.0
64.69905	0.4
67.05491	16.2
69.03409	4.6
69.07051	0.8
71.04963	1.1
79.05466	3.1
79.43237	0.4
81.03397	14.4
81.07036	12.1
83.04938	1.0
85.02879	4.4
85.06538	0.6
86.09678	0.9
91.05488	0.7
91.25164	0.4
92.09273	1.0
93.07013	2.9
95.04977	4.0
95.08585	8.6
97.02853	3.1
99.04439	0.8
105.07010	0.7
107.08587	1.1
109.02855	10.4
109.06499	2.6
109.10139	51.2
115.41810	0.6
119.08577	4.1
120.08099	2.6
121.10123	0.6
125.05965	3.6
127.03876	3.5
135.08096	0.9
137.09596	100.0
145.02850	0.7
147.07997	0.7
147.11569	0.5
155.10654	6.9
163.07451	0.8
165.09077	54.7
177.05486	0.7
182.39091	0.6
183.10071	5.5
201.11154	7.8
222.37788	0.6
258.94589	0.5
274.09488	0.6
291.12280	2.8
309.13263	17.0
327.14291	5.4
345.15439	0.5
400.10812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15697	0.5
51.40228	0.4
53.03938	0.9
53.28167	0.5
55.01855	1.1
55.05490	2.4
57.03421	1.4
66.59753	0.5
67.05491	15.6
69.03415	5.1
69.07044	1.4
70.70572	0.5
70.72421	0.5
71.04960	1.1
79.05466	1.0
80.37595	0.5
81.03398	12.5
81.06586	0.9
81.07030	13.2
83.04922	0.6
83.08577	0.9
85.02895	5.4
86.09705	0.7
91.05457	1.2
92.09239	0.7
92.51698	0.5
93.07023	4.8
95.04950	5.0
95.08579	7.1
97.02853	4.9
97.06473	0.7
99.04413	0.7
99.08077	1.1
105.07021	0.7
107.08569	3.5
109.02858	12.5
109.06487	2.5
109.10136	51.7
111.04423	0.9
113.05994	0.7
114.47063	0.5
119.08536	4.1
120.08086	2.2
121.10087	1.2
123.11687	1.0
125.05943	2.8
127.03898	5.2
135.08006	0.9
137.09590	100.0
147.07997	0.8
147.11615	0.9
155.10632	9.4
165.09074	51.8
183.10132	5.1
183.13739	1.0
201.11205	9.4
201.14865	1.3
202.46013	0.5
291.12091	3.7
309.13278	21.1
324.77432	0.6
327.14401	6.5
345.15430	1.0
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
53.03915	1.2
54.48264	0.7
55.01855	3.7
55.05499	4.2
57.03421	1.6
61.02909	2.8
67.05148	0.8
67.05493	19.6
69.03410	11.6
70.06567	0.8
71.04973	12.1
73.02895	2.8
79.05473	9.9
81.03400	1.5
81.07041	5.0
83.04962	1.2
83.08582	1.4
85.02892	14.4
87.04453	14.3
91.05459	32.2
93.07021	51.5
95.04945	6.0
95.08584	100.0
97.02872	4.4
99.04441	2.7
105.07010	9.9
107.04929	0.8
107.08594	8.7
109.06502	3.1
109.10139	10.1
111.08056	3.4
113.05990	1.3
115.03902	8.1
117.06971	3.5
119.08555	51.0
119.83087	0.7
121.10098	3.3
123.04452	0.7
123.08041	5.8
125.09592	1.0
127.03877	3.3
129.06972	0.9
137.09605	20.1
141.05424	1.5
142.48965	0.6
147.08028	16.3
151.07462	0.6
155.10672	3.2
165.09087	16.5
167.07048	0.7
183.10136	23.5
201.11180	7.9
216.08855	1.1
217.09076	1.3
291.38834	0.7
339.43521	0.8
380.13797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01866	5.6
55.05504	9.0
57.03429	4.8
61.02912	2.5
65.03929	1.8
67.05495	42.8
69.03065	2.1
69.03416	43.7
69.07042	2.6
71.04977	85.9
72.08142	2.2
73.02884	2.4
73.75921	1.2
79.05466	16.2
81.03407	5.2
81.07035	13.0
83.04966	5.8
83.08614	6.6
85.02888	30.6
85.06558	1.9
87.04454	60.7
89.83095	1.1
91.03952	1.4
91.05462	74.2
92.08925	4.6
93.06417	1.8
93.07021	71.3
95.04945	14.4
95.08584	100.0
97.02882	6.7
97.06528	1.8
99.04444	5.0
99.08066	2.2
101.06004	2.1
105.04516	1.1
105.06995	8.2
107.04936	1.6
107.08565	10.3
109.06525	4.8
109.10155	25.2
111.08057	15.7
113.06009	5.9
115.03919	27.8
117.06992	7.3
119.08562	98.0
123.04438	1.7
123.08058	2.1
125.09575	1.4
127.03898	2.1
137.05890	1.1
137.09596	46.7
141.05493	10.0
147.08032	17.6
155.10652	21.7
165.09082	19.9
171.10121	1.6
171.92894	1.1
183.10129	29.7
201.11186	37.7
221.03880	1.2
222.47050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01863	0.8
55.05489	2.1
57.03410	0.7
67.05144	0.7
67.05491	15.9
69.03417	4.5
69.07025	0.5
69.14805	0.5
70.03748	0.4
71.04973	1.6
75.82058	0.4
79.05476	1.8
80.52935	0.4
80.96814	0.5
81.03403	13.1
81.07038	11.1
81.56786	0.4
83.04974	0.7
85.02886	4.9
85.06494	0.5
86.09702	0.5
91.05464	0.8
92.08697	0.9
92.09233	0.8
93.06999	4.3
95.04932	3.3
95.08582	8.7
97.02868	5.0
97.06493	0.5
98.30960	0.5
99.04420	1.9
99.08068	0.8
105.07007	0.6
107.08569	2.5
109.02848	8.3
109.06507	1.7
109.10137	48.1
111.04442	0.6
119.08546	4.3
120.08043	1.9
121.10104	1.0
123.11707	0.6
125.05932	1.8
127.03891	3.9
128.88406	0.4
135.08012	0.7
135.29547	0.4
137.09592	100.0
145.02933	0.4
147.11601	0.4
155.10651	7.7
165.09076	54.7
177.05348	0.8
183.10100	5.7
201.11185	11.0
219.32803	0.4
233.84225	0.4
239.77939	0.5
272.41946	0.4
272.60181	0.5
291.12039	4.1
306.10757	0.5
309.13239	20.3
327.14197	4.7
345.15451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67531	2.3
55.01865	9.6
55.05495	3.7
57.03438	5.0
59.92553	2.0
60.04524	2.5
60.48012	1.8
60.51368	1.8
67.05490	29.1
69.03407	18.8
69.07049	9.2
71.04976	48.8
73.02876	3.7
77.92197	2.5
79.05473	11.7
81.03409	10.7
81.07046	17.8
83.04945	8.4
85.02889	55.8
85.06537	12.3
87.04452	41.1
91.05472	24.6
91.25558	2.2
93.07030	20.7
95.04947	27.6
95.08583	22.5
96.05266	2.1
97.02860	4.0
97.06496	8.3
99.04425	20.3
101.02310	2.9
105.07007	27.8
107.04897	3.5
109.06505	12.7
109.10121	17.0
111.04419	10.6
113.05985	33.3
115.03910	19.7
118.72904	2.3
119.08556	36.1
121.06494	14.8
121.10139	4.1
122.83738	2.1
123.04459	4.0
123.08040	58.8
125.09562	2.6
127.03906	2.5
129.06989	5.2
135.04402	2.9
135.08028	3.2
137.05945	12.3
137.09596	61.5
139.07576	5.2
140.04674	21.5
141.05075	3.8
141.09073	3.2
142.05128	4.4
147.08017	24.5
155.06969	3.2
155.10648	4.6
163.03914	9.8
165.09081	83.1
167.07005	4.0
183.10123	100.0
199.06070	2.9
200.06418	2.9
201.11186	76.7
380.09470	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	380.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.2
63.62844	0.4
67.05477	0.4
69.03412	3.0
71.01334	0.5
73.02897	1.0
74.06062	1.8
74.09285	0.4
74.09701	12.7
75.04089	0.5
75.04461	4.5
85.02888	7.3
95.01308	73.9
97.02905	0.7
105.06994	0.5
107.43488	0.4
109.06506	0.5
109.10201	0.4
113.02349	100.0
118.32844	0.4
119.08571	0.4
121.10141	0.5
128.44676	0.4
131.03362	2.3
131.50438	0.4
137.05952	0.5
140.04721	0.5
141.01807	8.1
149.82101	0.4
155.07164	0.5
159.02779	0.5
169.04919	31.5
178.01903	0.4
187.05975	34.3
218.10410	0.6
229.42210	0.5
235.48805	0.4
320.12415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	100.0
56.02689	2.6
61.40730	2.9
65.81255	2.9
67.05483	26.3
69.07046	4.9
71.04980	3.1
78.33543	2.7
79.05457	6.8
81.07031	38.8
81.07494	3.8
83.08606	37.9
91.05476	5.6
93.07013	18.5
95.08579	33.9
107.08575	7.3
109.10132	19.5
119.08501	4.7
121.10133	4.6
123.11627	4.6
139.28304	3.0
145.10126	3.7
148.56041	3.5
158.70474	3.3
177.16658	2.9
189.07503	3.6
196.30647	2.9
199.46201	3.3
244.08702	3.2
279.23227	6.3
305.24915	3.4
347.25922	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	379.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34658	5.8
57.42946	6.0
57.53698	5.6
74.29228	7.2
81.07040	8.7
121.10201	9.5
124.48710	6.7
149.02376	28.4
151.26642	6.8
287.59192	6.9
379.26056	100.0
388.50293	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	379.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	11.6
57.03428	4.5
59.04990	3.4
62.88954	2.2
64.33910	2.4
67.05498	20.8
69.07045	10.6
77.71330	2.5
79.05457	13.0
81.07030	49.5
83.08585	2.7
85.06493	3.2
91.05442	30.1
93.07021	34.6
95.08587	51.5
97.06477	10.0
97.10133	3.7
101.05990	4.8
105.03400	2.3
105.07018	55.2
107.04907	2.5
107.08565	33.9
109.06502	3.9
109.10136	30.1
109.14626	2.4
111.08038	15.0
117.06972	21.5
119.08556	98.8
121.06473	13.6
121.10107	28.8
123.08089	17.2
123.11663	9.9
125.09675	3.8
129.06964	9.6
131.08525	42.3
133.10098	46.7
134.99643	2.9
135.08032	14.3
135.11661	13.6
137.09593	62.9
142.07724	3.3
143.08513	20.7
145.10109	70.9
147.07986	5.6
147.11681	31.8
149.09618	3.3
149.13205	4.8
151.11172	4.3
155.08514	12.3
157.10077	29.0
158.10875	3.9
159.11639	43.1
161.09554	10.5
161.13243	9.8
163.11153	4.6
163.14853	2.9
167.08511	3.9
169.10080	26.5
171.11649	50.5
173.13208	67.7
175.11127	5.9
175.14786	3.3
177.12714	14.1
177.16328	3.9
181.10043	4.0
183.11664	18.1
185.13213	23.8
187.14796	31.5
189.12737	2.9
191.14359	2.8
195.11687	9.5
197.13193	16.9
199.14680	18.5
201.12674	4.9
201.16292	3.0
203.14273	2.8
209.13277	9.9
211.14766	4.8
213.16330	9.2
215.14314	3.0
223.14766	14.7
225.16319	3.3
227.18005	4.5
235.14705	2.8
237.16348	10.4
239.17897	16.8
251.17940	4.5
253.19466	18.5
255.20981	14.9
264.18616	3.4
269.22452	4.8
271.20520	10.3
279.20987	91.9
297.22006	48.1
311.23642	76.0
329.24667	100.0
343.26245	36.9
361.27283	87.3
379.28235	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50461	0.6
54.23890	0.6
55.05489	0.7
57.03421	0.9
67.05487	0.9
69.03398	1.3
70.06565	0.8
72.08123	1.0
79.05479	1.0
81.03407	0.7
81.07021	1.6
85.02858	3.0
85.06533	1.0
86.09685	0.9
91.05457	1.7
92.08694	1.2
93.07006	2.8
95.08597	1.2
95.85050	0.7
97.06563	0.9
98.97558	1.1
105.06980	1.5
107.08595	3.2
109.02818	0.9
119.04894	0.9
119.08549	0.9
120.08061	0.8
121.10152	0.9
128.91379	0.8
135.08031	1.4
137.05972	0.9
145.10127	1.0
147.04372	1.7
151.81929	0.9
163.11166	0.8
167.07019	1.3
185.04204	2.8
195.76260	0.8
217.04698	2.8
226.07072	0.9
379.09924	100.0
380.10248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.1
57.03423	6.1
58.94475	0.4
61.02901	2.4
67.30452	0.4
69.03405	3.0
79.05479	0.8
81.03397	1.1
85.02413	0.7
85.02892	11.6
91.05453	1.1
93.07021	5.4
95.04955	1.1
97.02857	3.2
98.97578	0.6
103.05443	16.7
105.07006	4.1
107.04939	88.7
109.02864	0.7
121.06484	27.0
123.04416	2.1
124.05171	0.9
127.03893	2.1
128.92113	0.5
131.04886	9.9
135.08029	18.0
145.04921	1.8
148.05180	13.9
149.05959	15.9
163.07509	31.7
166.06215	0.6
181.08557	100.0
216.03284	0.5
232.35724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02214	0.2
53.03926	1.6
54.81908	0.3
55.01868	0.4
55.46508	0.2
57.03431	0.5
57.80669	0.2
61.02905	1.2
62.15630	0.2
65.03911	0.3
69.03401	1.6
71.04962	0.3
71.89922	0.2
73.02896	0.4
76.88249	0.2
81.03387	1.1
85.02894	6.2
87.04430	0.3
88.31899	0.2
89.50365	0.2
91.05465	10.5
92.08617	0.6
93.07025	13.1
94.07295	0.3
95.04946	3.0
97.02867	1.7
99.04488	0.2
103.05456	7.5
105.04478	0.5
105.07011	0.4
107.04933	0.5
109.02904	0.3
110.03666	0.3
111.04459	0.4
116.07081	0.3
119.04897	1.5
120.05686	2.1
121.06487	19.5
123.04388	1.1
124.05192	0.3
125.05948	1.3
127.03915	1.2
131.05003	0.4
131.05988	0.4
133.02837	0.4
133.42146	0.2
135.04294	0.3
135.08052	0.3
136.05162	0.3
136.07573	0.4
137.05963	1.6
138.06723	1.8
139.07503	0.6
140.04639	0.4
145.04958	0.5
147.04391	1.0
148.05243	1.9
149.05977	6.1
151.03922	1.7
153.05453	2.1
155.07010	0.3
163.03894	0.4
163.07489	0.4
166.06229	12.7
167.07016	0.5
173.05962	0.3
175.07407	0.3
180.08607	0.3
181.08569	100.0
184.07281	1.1
199.09639	22.3
202.09727	0.2
205.08594	1.0
235.09509	0.4
237.58940	0.2
251.75027	0.3
321.02811	0.3
329.81155	0.3
378.08783	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	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01865	2.3
57.03431	8.2
61.02909	2.8
62.32204	0.5
69.03423	5.7
73.02904	1.1
79.05478	1.3
81.03387	2.3
85.02893	20.4
87.04478	1.1
91.03934	0.8
91.05468	4.4
93.07033	5.0
95.04958	3.0
97.02878	6.0
98.97661	0.6
103.05457	16.7
105.07015	4.8
107.04944	83.7
109.02860	0.8
111.04433	1.1
119.04916	5.7
120.05771	0.6
121.06491	23.8
123.04427	0.9
124.05202	0.8
127.03919	2.4
131.04936	10.7
135.08046	15.4
137.05960	23.5
138.05533	0.7
139.03896	8.9
139.07547	1.3
140.04729	4.5
145.04967	2.7
148.05162	10.4
149.05968	17.0
151.07527	6.5
152.06929	0.8
153.01775	0.6
155.07047	0.8
163.07513	28.0
180.08653	0.9
181.05161	5.9
181.08565	100.0
198.07561	0.7
199.05991	2.8
213.23154	0.6
376.23248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01834	0.5
56.70942	0.3
57.03421	0.4
57.35256	0.3
61.02890	1.5
63.90629	0.3
69.03407	2.6
70.06571	0.3
79.05457	1.4
80.47639	0.3
81.03406	0.8
85.02430	0.4
85.02894	7.7
89.03867	0.4
91.05461	13.5
92.09208	0.4
93.07024	14.6
94.80948	0.3
95.04939	3.2
97.02858	2.0
103.05442	6.7
105.04508	0.4
107.08580	0.5
109.02861	0.4
111.04333	0.4
116.07053	0.7
119.04899	2.6
120.05697	2.1
121.06481	22.2
123.04446	0.6
123.08025	0.8
125.05972	0.6
127.03886	0.8
131.06017	0.5
133.02864	0.5
136.07529	0.6
137.05934	2.4
138.06711	1.8
139.07518	3.5
145.04915	0.4
147.04358	0.8
148.05174	1.9
149.05960	6.3
151.03864	1.6
153.05428	1.9
163.03844	0.7
166.04913	0.6
166.06218	12.7
167.07004	12.9
169.04886	0.4
180.08633	0.7
181.08553	100.0
182.08827	0.4
184.07181	1.5
196.70100	0.3
199.09622	23.2
246.98865	0.4
378.08737	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	378.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01857	1.1
57.03419	0.8
60.34332	0.4
61.02899	2.6
64.33179	0.4
65.03918	0.9
67.05498	1.7
69.03413	5.1
70.06590	0.4
80.61864	0.4
81.03384	2.7
85.02891	17.0
86.78086	0.4
87.04468	0.5
92.08658	0.8
93.03368	0.6
95.04949	20.9
97.02859	5.2
103.83361	0.5
105.04471	0.7
109.02871	0.8
110.03632	0.5
111.04443	0.5
119.51539	0.4
121.02840	2.0
123.04395	12.9
125.02301	4.3
127.03885	0.8
137.05934	0.5
139.03949	0.6
140.04659	100.0
145.04927	2.2
149.02478	0.5
155.06999	31.2
163.03947	0.6
167.03365	0.8
167.07024	0.9
173.08080	3.3
180.08652	2.5
181.04942	8.5
191.54562	0.5
199.05986	41.3
276.83340	0.5
378.14752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01857	1.4
56.34727	0.3
56.96513	0.2
57.03419	0.5
60.52994	0.3
60.83272	0.3
61.02898	1.6
65.03914	1.4
67.05486	1.8
69.03407	2.7
70.06558	0.3
70.09044	0.3
70.10952	0.3
79.05464	1.9
81.03401	1.7
81.07025	0.3
83.04987	0.6
85.02885	9.1
91.03927	0.3
91.05456	0.7
93.03371	0.4
93.07019	2.8
95.04945	23.9
97.02876	3.7
103.05445	0.3
105.04483	1.5
105.19611	0.3
107.04996	1.1
109.02867	0.6
109.06499	0.3
110.03680	0.4
111.04429	1.4
116.07065	0.7
121.02830	1.5
121.06476	4.8
122.03605	0.5
123.04406	15.1
123.08020	1.4
125.02319	5.2
127.03902	0.5
135.04393	0.6
136.07526	0.4
137.05952	34.3
138.03235	0.4
139.03931	0.6
139.07520	3.3
140.04660	100.0
141.05029	0.5
144.03932	0.3
145.04907	0.7
149.02370	0.5
149.06030	2.2
151.07509	0.4
155.07002	29.5
157.07616	0.3
163.03864	1.2
163.07553	0.4
167.03372	1.4
167.07004	16.0
171.06493	0.4
172.00813	0.3
173.08078	3.4
181.04912	7.3
181.08533	3.3
199.05986	37.7
199.09604	4.5
288.95609	0.3
289.10483	0.4
323.67871	0.3
378.08701	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	377.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
57.92923	1.6
57.96580	1.3
59.05005	1.6
64.91364	1.5
67.05486	7.3
69.07063	2.6
71.04961	1.7
79.05473	10.4
80.55948	1.5
81.07028	13.7
83.08595	1.6
83.62313	1.5
85.06541	2.1
91.04433	1.4
91.05457	21.2
93.07023	18.5
95.04938	2.1
95.08598	12.9
105.07018	36.8
107.08572	21.3
109.06496	3.0
109.10153	6.8
111.08043	10.0
117.07001	37.9
119.08559	23.5
121.10137	7.7
123.08076	11.3
125.09573	2.0
129.07004	7.9
131.08531	20.2
133.10091	17.8
135.08037	14.3
135.11687	3.3
137.09584	12.2
141.06999	2.1
143.08563	17.8
145.10094	21.9
147.08073	3.9
147.11674	10.7
149.09607	2.3
151.11168	2.9
155.08524	9.3
156.09290	2.2
157.10098	17.7
159.11662	24.0
161.09615	2.3
161.13252	15.8
169.10109	9.8
171.11661	10.4
173.09628	2.1
173.13223	12.4
175.11078	2.3
181.10112	7.0
183.11688	8.4
185.09645	1.9
185.13196	19.5
187.11221	6.4
187.14919	2.3
195.11638	3.2
197.13196	8.7
199.11076	2.2
199.14751	2.2
206.11003	1.8
209.13278	6.0
211.14777	3.4
213.12683	2.0
215.14316	3.4
219.13727	3.7
221.13164	2.0
223.14856	2.5
225.16481	2.9
235.14801	2.8
237.16359	8.4
243.17543	2.1
249.16316	2.5
251.17873	9.0
252.18721	2.3
253.19473	3.3
267.17459	17.3
269.18881	14.1
277.19482	11.0
295.20496	91.4
327.23129	100.0
327.27008	3.6
357.54419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
51.02311	0.3
51.64101	0.3
53.03941	3.4
54.81526	0.3
55.01836	1.6
57.03428	14.6
57.03692	0.5
59.04967	1.3
61.02918	7.2
63.12428	0.3
64.94590	0.3
67.05458	0.3
69.03416	23.4
71.01338	3.8
71.04980	6.7
71.75728	0.3
73.02901	3.5
75.04459	4.4
79.05459	0.6
81.03410	6.2
81.07009	1.9
85.02846	1.9
85.06490	0.3
87.04425	0.6
91.05446	0.4
95.08591	0.3
97.02850	0.5
97.06514	0.3
99.04430	6.4
103.05413	0.4
105.06981	0.7
107.08594	0.4
109.06487	1.4
117.05436	0.7
119.04896	0.4
119.08528	0.4
121.06443	0.5
121.10107	0.4
125.05962	0.4
127.03851	0.4
130.06493	0.4
133.10042	0.5
137.05957	17.2
137.09494	0.4
138.06256	2.2
145.07619	4.0
157.06349	0.6
161.05865	0.4
169.10178	0.3
170.07085	2.6
172.08661	58.7
173.07016	0.5
174.10216	1.7
175.08714	0.4
179.10643	3.5
186.10251	0.5
190.09749	3.1
197.09860	0.4
197.11552	2.7
198.06593	11.8
200.08174	7.6
206.05659	0.3
214.09702	0.6
214.14352	0.6
216.07642	33.0
216.51718	0.4
218.09193	1.8
219.61996	0.3
224.11853	0.4
243.08717	100.0
244.07100	1.9
256.73822	0.4
257.10083	0.4
319.09546	0.4
359.13525	3.9
377.14484	97.5
378.14755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1413
Annotation	Lactacystin
Peak:m/z	Relative Intensity
50.90297	0.4
53.22593	0.4
53.41576	0.5
85.02885	0.7
102.23764	0.5
118.59186	0.5
137.05960	2.3
147.04376	1.0
179.06966	0.9
264.32727	0.6
320.57236	0.6
377.14114	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	376.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23949	1.5
55.93516	6.8
57.07071	2.5
67.05489	2.8
67.43139	1.8
70.95875	2.8
72.93768	14.0
73.02966	1.7
81.07066	3.9
82.42578	1.8
84.11689	1.7
90.94807	11.2
108.95830	4.1
112.99934	1.9
121.06509	3.8
131.98776	2.0
132.95819	3.1
140.79897	1.8
144.99480	2.7
146.97339	2.5
148.98973	2.7
150.96931	3.2
153.20116	2.3
164.99988	7.6
171.13794	3.2
178.97830	2.6
184.98947	2.6
192.99406	2.1
213.03619	2.8
215.05133	2.3
224.36572	2.5
227.05153	3.4
250.89281	4.5
255.06799	4.0
260.44635	1.9
281.09918	2.3
283.11377	3.5
308.84509	2.0
331.13452	11.3
333.15076	26.8
335.12598	3.9
335.16629	100.0
351.16064	7.1
353.17551	3.6
376.31805	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	376.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05492	0.6
56.06388	0.3
56.96551	0.3
57.03419	2.8
59.36462	0.3
61.02911	3.4
62.15618	0.3
69.03072	0.4
69.03413	8.0
70.06565	0.3
71.04966	0.8
73.02898	1.6
81.03402	4.5
83.04961	1.0
84.04491	0.5
85.02886	30.5
86.09672	0.8
91.03909	1.7
91.05467	0.7
97.02867	10.2
99.04433	1.6
102.94855	0.5
105.03391	0.7
105.06995	0.6
109.02850	3.7
113.02390	3.3
114.02686	0.9
121.10139	0.5
122.03654	0.4
123.11708	0.7
127.03879	4.8
129.56898	0.5
133.10048	0.5
137.05952	100.0
145.04942	4.8
151.07529	0.9
151.11131	0.5
161.09584	2.3
163.05969	0.4
179.07010	17.8
179.10617	19.8
180.08636	0.7
197.08069	4.9
203.07089	0.4
214.10742	0.6
215.10428	0.4
249.95026	0.4
308.03784	0.4
390.94122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2529
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
55.01862	2.4
55.05502	5.4
58.64081	2.6
67.05499	21.3
69.07040	13.7
79.05470	32.3
81.07037	44.6
83.08580	5.1
91.05425	22.9
93.07032	43.0
95.04932	3.5
95.08585	38.0
105.07019	46.5
107.04890	2.5
107.07835	3.6
107.08575	47.3
109.06491	3.0
109.10136	22.5
117.07008	13.1
119.08569	29.6
121.10146	27.5
129.06961	4.3
131.08546	26.9
133.10106	32.4
135.08051	4.9
135.11664	24.2
143.08536	11.3
145.10117	35.8
147.11693	27.3
149.13271	6.0
155.06976	4.7
157.10104	15.3
158.52045	2.4
159.11685	35.3
161.13217	18.0
169.10092	5.9
171.11621	12.5
173.13219	13.9
175.14806	6.5
175.19641	3.2
180.10966	2.7
180.45670	2.6
181.10138	4.3
183.11639	12.7
185.13237	15.8
187.14807	5.8
195.11778	3.0
197.13263	11.5
199.14780	11.1
209.13173	5.8
211.14778	11.2
213.16388	2.9
221.13048	3.3
223.14815	5.6
227.18117	3.8
231.13757	3.2
237.16356	5.4
243.13748	3.3
245.15329	4.3
251.17871	4.9
253.19569	6.1
255.21057	34.8
257.15430	4.4
279.21106	27.7
287.88382	2.7
293.22595	6.2
297.18848	3.6
321.21994	11.2
339.23154	100.0
357.24115	47.3
375.25150	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2525
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
50.40913	1.1
54.10875	1.1
54.81616	1.3
55.05491	7.4
56.98805	1.1
67.05489	23.7
67.42300	1.1
69.07047	5.8
79.05473	31.5
81.07032	44.2
83.04965	2.6
83.08610	9.2
85.02895	1.9
91.05459	32.5
93.06438	1.0
93.07024	42.4
94.07346	2.6
95.04946	2.5
95.08582	30.1
105.07007	43.2
107.04911	2.2
107.08572	42.7
107.09286	1.7
109.06494	1.7
109.10146	20.2
111.04443	2.5
111.97948	1.4
115.05478	1.4
117.06985	13.4
119.08559	32.0
121.06462	1.9
121.10102	25.7
122.41689	1.4
123.08039	1.5
125.05977	7.3
125.32372	1.4
128.06143	1.9
129.06969	10.5
131.08548	37.0
133.06528	1.2
133.10114	25.6
135.08072	5.0
135.11662	29.7
137.05937	1.7
139.07500	3.2
141.06953	1.7
143.08540	20.0
145.10095	33.0
146.10344	1.6
147.11691	19.8
149.05945	2.7
149.13223	9.0
151.07449	1.3
153.05466	2.0
155.08534	7.3
157.10094	18.9
158.10301	1.5
159.08067	6.0
159.11690	27.9
161.09590	2.1
161.13251	16.9
161.29520	1.3
168.09213	1.5
169.10110	13.7
171.11707	12.6
173.09647	2.0
173.13232	10.3
175.14848	2.8
177.09135	10.4
180.09097	1.6
181.10123	1.8
183.11674	9.8
185.09589	2.0
185.13251	17.6
187.11125	5.0
187.14783	13.8
189.09126	4.9
193.10156	1.4
195.11729	2.5
197.13232	10.7
199.14778	8.1
201.12685	2.5
201.16385	6.2
203.10600	2.1
205.12274	6.3
209.13141	2.7
211.11070	1.9
211.14792	8.5
213.12689	2.6
213.16376	6.1
215.17871	2.8
221.13194	1.8
223.14835	2.7
225.16382	3.1
229.12160	5.8
231.13792	9.5
237.16246	2.1
239.14197	2.8
243.13789	6.3
245.15134	2.4
257.15231	2.6
265.15778	1.7
271.16928	2.1
279.21054	10.5
283.16837	5.3
293.22589	17.6
295.24249	1.8
303.20621	1.6
311.23495	3.1
321.22083	22.9
339.23111	100.0
340.23303	1.7
357.24081	26.2
375.24936	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	375.2526
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
50.07026	1.9
53.03920	2.3
55.05489	11.1
61.33055	2.4
67.05492	29.0
68.14237	2.1
69.03417	3.1
69.07039	5.0
73.13247	1.9
79.05051	2.8
79.05473	48.8
81.07040	50.9
81.07485	4.0
83.04956	16.5
83.08591	10.5
84.52068	2.0
85.06534	3.4
91.05460	36.1
92.08990	2.2
93.07014	68.4
95.04954	9.5
95.08585	47.2
97.06512	4.2
100.05734	2.1
105.07008	64.7
105.74155	2.6
107.04934	4.9
107.08569	55.8
109.06530	2.4
109.10126	17.9
111.04420	3.1
117.06986	16.0
119.08549	50.0
121.06423	3.5
121.10126	38.9
125.05963	13.4
129.06976	5.1
131.08534	41.7
133.10104	38.5
135.08028	4.5
135.11667	41.0
143.08537	17.9
144.09290	3.8
145.10092	59.4
147.08034	4.3
147.11684	56.6
149.13239	18.2
155.08516	10.1
156.09315	3.2
157.10081	26.2
159.07971	2.8
159.11670	35.5
161.09650	2.6
161.13208	41.4
163.96358	2.2
167.08537	3.0
169.10077	15.2
171.11656	23.3
173.13214	21.8
175.11182	4.5
175.14836	7.9
181.10086	3.6
183.07626	2.3
183.11668	16.3
185.13242	25.5
187.14810	13.1
195.11696	3.4
197.13213	20.2
199.14774	15.5
201.16281	4.0
203.10643	11.7
203.14307	3.0
203.17891	2.7
205.12273	2.8
209.13249	5.2
211.14716	3.9
213.16264	4.7
217.12244	3.2
221.11673	14.8
223.14830	5.7
225.16394	3.4
229.12207	5.1
231.13762	4.1
231.17426	3.1
237.16388	4.4
239.17773	9.0
243.13692	2.8
251.17905	3.0
253.19516	5.3
255.21007	40.5
277.19263	3.6
279.21036	22.6
293.22607	11.2
311.23532	9.4
321.21909	11.7
325.17947	3.0
333.01303	2.8
339.23108	100.0
354.60037	2.4
357.24164	74.8
358.75922	3.0
375.25162	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2527
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
55.05495	8.0
67.05490	21.7
68.27212	1.5
68.40489	1.5
69.07045	4.2
69.15363	1.3
79.05479	26.9
81.07040	37.7
83.08600	6.7
91.05467	23.6
93.06483	2.4
93.07018	37.7
95.04943	3.0
95.08582	30.3
105.07007	46.7
107.08585	31.3
109.06525	2.6
109.10167	17.8
111.04390	8.9
117.06996	11.5
119.08559	26.5
121.06480	3.0
121.10118	20.0
123.08065	2.3
125.05961	9.3
129.06956	8.7
131.08543	27.9
133.10086	25.9
135.11668	29.4
141.06923	2.6
142.07813	2.5
143.08531	17.6
145.10095	22.4
147.11636	17.3
149.05962	2.0
149.09648	1.9
149.13211	3.9
155.08543	7.6
157.10155	16.0
159.11627	23.2
161.13208	15.6
169.10104	10.2
171.11627	12.6
173.13208	9.4
175.07521	2.5
175.14749	2.2
177.09065	9.9
181.10013	2.2
183.11635	9.1
185.13208	15.5
187.14775	11.0
189.09082	2.3
189.16350	2.4
193.10187	2.6
195.11760	2.0
197.13205	11.5
199.14670	6.2
201.16360	7.5
203.10699	1.9
205.12254	2.0
209.13261	1.9
211.14795	9.4
213.16406	2.9
215.17920	2.9
223.14737	2.2
225.16341	2.8
229.12175	2.1
231.13811	9.7
237.16342	3.1
243.13789	3.5
245.15233	1.8
257.15256	11.3
265.19412	2.0
279.20947	3.8
293.22684	13.3
311.23456	2.9
316.23276	2.0
321.22116	17.0
339.23129	100.0
357.24155	34.1
375.24893	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	375.2526
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
55.05500	10.8
59.67645	1.2
62.00225	1.3
67.05488	22.5
69.07056	3.8
69.26226	1.4
79.05468	28.9
81.07036	36.4
83.08607	7.8
85.02913	2.6
90.71931	1.6
91.05466	29.0
92.09072	1.9
93.07022	39.4
95.04964	2.8
95.08572	27.1
105.07011	43.7
107.08562	38.4
108.32057	1.6
109.06522	1.7
109.10130	18.6
111.04434	8.9
117.07007	12.7
119.08559	30.3
121.06486	1.7
121.10101	22.7
123.08066	2.0
125.05951	3.0
129.06985	6.9
130.07834	1.7
131.08542	31.4
133.10107	29.9
135.07928	1.6
135.11664	30.8
137.05913	1.6
139.07498	2.8
141.06943	3.3
142.07780	3.0
143.08531	13.3
145.10089	30.8
147.08023	1.6
147.11667	22.0
149.09596	2.0
149.13280	9.7
153.05431	2.0
155.08545	8.5
157.10100	19.8
159.11644	21.6
161.13219	18.5
169.10110	9.7
171.11618	12.3
173.13255	10.1
175.14807	4.0
177.09113	9.5
181.10106	2.1
183.11662	9.9
185.13202	23.8
187.11192	3.2
187.13380	1.6
187.14799	14.7
189.09113	3.0
195.11725	2.2
197.13289	11.0
199.14856	7.4
201.12756	3.0
201.16418	7.6
205.12248	7.8
209.13261	3.2
211.14783	8.9
213.12720	3.5
213.16380	8.1
215.18056	3.7
217.12321	1.8
223.14670	2.2
225.16371	3.1
229.12260	1.7
231.13757	9.7
237.16202	2.9
239.17899	2.6
242.30623	1.7
243.13754	3.2
244.70569	1.9
251.17883	2.8
257.15424	7.7
279.21042	8.6
283.16864	2.5
293.22610	15.6
302.73846	2.0
306.39923	1.6
311.23578	2.9
321.22095	18.8
339.23132	100.0
357.24118	44.3
375.25201	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	375.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.6
56.75093	2.1
63.51659	2.2
67.05496	30.9
69.07055	4.9
71.04994	2.6
72.08463	2.3
79.05471	44.7
81.03405	2.4
81.07039	47.9
83.08611	5.2
85.06534	3.3
91.05451	32.2
92.05821	2.6
92.09336	5.7
93.07029	58.6
93.18309	2.2
95.04949	4.3
95.08596	38.0
98.57169	2.3
105.07014	59.2
107.08571	66.2
109.06416	2.6
109.10139	17.6
111.04436	3.7
117.07007	14.4
119.08568	36.3
121.06467	4.7
121.10132	24.3
123.08016	3.4
125.05998	10.2
129.06981	11.6
131.08549	45.3
133.10120	32.0
135.08049	4.3
135.11674	29.0
139.07582	2.6
139.34207	2.3
141.07059	8.2
143.08549	17.2
145.10097	43.6
147.11664	28.3
149.05945	3.6
149.13235	5.1
149.94548	3.8
152.96915	2.9
155.08530	10.5
157.10097	25.1
159.11659	31.6
161.06036	3.3
161.13235	21.2
163.07497	4.1
169.10112	5.9
171.11639	20.2
173.13225	5.9
175.07504	3.9
176.96786	3.6
177.09134	5.2
183.11671	13.1
185.13235	16.6
187.11154	5.7
187.14812	24.4
189.09047	3.6
195.11638	3.5
197.13287	12.1
199.14801	14.1
200.96925	3.3
201.09096	2.8
203.10719	2.6
205.12196	11.7
205.15947	3.6
213.12711	4.9
213.16400	4.9
215.17952	10.3
218.97968	16.0
227.17815	2.6
229.12289	3.0
231.13721	3.9
237.16191	3.3
239.14326	3.7
243.13661	3.5
248.99013	3.1
257.15332	5.5
265.19461	2.9
279.21008	12.0
281.22531	4.5
283.16754	3.0
293.22443	17.2
294.88153	3.1
303.20837	3.3
309.01129	15.2
321.22046	21.6
339.23123	100.0
357.24146	50.5
374.23108	3.0
375.24478	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	375.2524
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
50.94666	1.3
54.62994	1.4
55.05500	4.1
58.04486	1.6
67.05496	22.3
69.07053	2.5
76.56458	1.9
79.05470	26.5
80.87025	1.6
81.07044	35.3
82.38519	1.7
83.04965	3.6
83.08618	4.3
85.02895	3.2
87.26223	1.6
91.05465	27.4
92.08713	2.3
93.07019	39.8
95.04946	2.4
95.08589	23.8
105.07012	46.4
107.08582	42.8
108.64845	1.8
109.02650	1.5
109.10178	14.3
111.04449	14.3
111.08173	1.7
117.07006	14.4
119.08560	29.5
121.06452	1.9
121.10104	21.6
123.93014	1.7
125.05967	6.5
129.06987	6.1
131.08553	34.2
133.10132	37.1
135.11696	28.4
139.07533	2.0
142.07851	2.0
143.08519	16.1
145.10115	33.6
147.11674	25.9
149.13255	7.3
155.08563	4.3
157.10121	13.2
159.08018	2.4
159.11667	26.8
161.13219	16.4
163.07442	2.0
163.11147	3.4
168.09331	2.0
168.66272	1.7
169.10066	6.3
171.11653	12.7
173.13263	10.6
175.14777	2.0
177.09076	8.7
183.11684	9.4
185.13271	13.5
186.06511	1.7
187.11172	3.5
187.14818	11.4
189.09106	2.9
197.13275	10.0
199.14774	11.0
201.12740	2.5
201.16327	6.7
211.14796	9.3
213.16359	3.1
215.18007	3.3
223.14766	6.3
225.16327	2.8
229.12256	3.9
231.13741	7.5
237.16287	2.6
243.13817	2.2
251.17918	2.3
257.15378	9.1
265.15640	2.2
271.16882	2.2
275.83771	1.8
279.21008	10.6
283.16968	2.5
293.22540	18.5
303.21027	2.0
311.23569	4.0
321.22089	12.7
330.50040	1.8
339.23151	100.0
357.24152	43.6
358.25848	2.3
361.42313	2.0
375.25064	9.5
391.10913	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2525
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
50.73325	0.8
53.03944	1.3
55.05503	7.4
58.32417	1.1
59.17245	0.9
65.03921	1.5
67.05486	19.6
69.07062	4.4
79.05473	26.1
81.06595	1.7
81.07049	32.9
81.07522	1.8
83.08607	6.7
88.23721	1.0
91.05458	21.0
92.08736	1.5
93.07027	37.7
95.04964	5.1
95.08582	27.9
105.07019	36.9
107.04931	2.1
107.08584	31.9
109.01363	1.1
109.06503	2.7
109.10149	15.0
111.04442	5.6
117.06995	11.7
119.08556	23.8
121.10114	19.9
123.08099	1.5
123.11693	1.3
125.05971	6.5
129.06989	8.8
131.08551	24.3
133.06464	1.6
133.10101	23.5
135.08066	1.4
135.11679	30.8
137.09546	1.0
139.07510	1.5
143.08546	16.9
145.06468	1.6
145.10117	25.8
147.08025	1.9
147.11673	18.3
149.05943	2.0
149.13263	6.6
155.08589	7.5
157.10110	13.5
159.08076	2.0
159.11668	23.2
161.13197	15.5
163.07596	2.5
163.14688	1.5
165.89023	1.2
169.10085	8.1
171.07959	1.5
171.11699	10.2
173.09663	2.0
173.13251	8.7
175.07582	1.9
175.14799	4.5
177.09079	9.3
181.10126	2.0
182.10693	1.3
183.11646	9.3
185.13220	18.3
187.11206	2.5
187.14845	10.1
189.09061	1.6
189.16261	2.1
195.11726	2.1
197.13193	10.3
199.14781	8.8
201.16364	7.5
203.10675	1.1
205.12167	2.0
209.13319	1.6
211.11160	2.2
211.14799	6.8
213.12750	2.4
213.16245	3.1
215.17905	2.7
217.12154	2.3
219.13606	1.4
221.13443	1.2
223.14897	1.7
225.12883	1.6
225.16327	2.1
229.12238	2.0
231.13785	6.8
237.16397	2.4
239.14323	1.6
239.17870	2.0
243.13802	2.4
251.17848	1.6
257.15393	5.9
271.16855	1.9
279.20984	9.2
280.80466	1.3
283.16812	2.0
293.22675	20.2
311.23544	4.9
321.22070	18.5
339.23145	100.0
357.24188	26.9
375.25360	9.5
386.14658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2524
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
55.05499	7.7
67.05495	39.6
69.07037	6.1
79.05473	56.6
81.07033	75.1
83.08610	5.1
91.05459	45.9
92.08788	40.2
92.09399	13.6
92.53472	4.1
93.07018	88.5
95.04976	4.4
95.08582	55.0
105.07010	86.3
107.08584	90.9
109.06514	10.1
109.10120	23.3
113.05981	4.1
117.06989	17.7
119.08553	64.3
119.22482	4.1
121.06493	17.8
121.10146	36.4
123.08025	4.1
123.11722	6.0
129.06967	8.5
131.08553	47.4
133.10106	60.0
135.08018	9.8
135.11659	25.7
141.06935	5.9
143.08553	27.0
145.10107	58.0
147.11676	47.5
149.09653	6.9
149.13217	5.4
149.25958	4.0
153.09035	8.0
155.06987	18.4
155.08595	7.3
157.10118	23.4
159.11694	44.8
161.13211	34.8
169.10097	7.4
171.11615	36.2
173.13280	22.6
175.14799	67.2
183.11661	19.5
185.13245	20.2
187.14857	9.0
197.13200	17.2
199.14792	8.7
201.16377	25.7
204.88525	5.0
219.17549	5.4
231.13721	5.2
235.07851	4.7
235.14719	4.7
251.17995	5.2
253.19391	7.2
279.20917	4.6
311.23535	7.6
321.22128	18.9
339.23169	100.0
339.40643	4.2
357.24277	81.4
375.25140	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	375.2374
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03933	0.8
55.01850	3.0
55.05506	9.2
57.03416	0.6
57.07051	2.5
61.02900	0.9
61.84874	0.6
62.02805	0.5
65.00886	0.5
65.14875	0.6
65.25526	0.4
67.05482	3.6
67.62035	0.5
69.03413	5.0
69.07054	19.7
71.04965	3.8
73.72753	0.6
79.05482	6.0
81.03349	0.5
81.06596	0.9
81.07036	18.0
83.08599	11.6
85.02889	9.3
85.06506	3.4
91.05458	2.7
92.08900	0.5
93.06444	0.7
93.07024	16.7
95.08580	34.5
97.02865	1.2
97.10153	6.5
99.08064	16.0
105.06998	4.7
107.08578	45.3
109.02869	0.8
109.06461	0.7
109.10138	11.7
111.08054	8.3
113.09625	2.3
117.06928	0.8
119.08533	0.9
121.10118	71.2
122.03594	1.2
123.08036	1.3
123.11694	1.3
125.09621	6.9
131.04826	0.7
133.10162	0.7
135.11668	14.7
137.05956	9.4
137.13240	8.1
139.11162	0.8
140.57411	0.6
145.02676	0.6
149.13229	5.6
157.73607	0.5
165.06880	0.7
177.16347	100.0
195.17435	16.1
213.18471	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72741	0.3
53.00323	0.4
55.05487	0.6
57.07064	14.0
57.11954	0.3
57.18678	0.3
57.83115	0.3
58.06581	3.4
58.36036	0.3
65.29491	0.3
68.03194	0.3
68.05016	0.4
69.07043	0.4
70.06575	28.5
71.08292	0.4
71.08617	5.7
72.08121	0.4
73.54713	0.3
74.06069	0.6
84.08133	0.5
85.10166	1.8
86.09690	0.7
88.07608	33.1
92.09054	1.7
102.09155	20.3
132.10150	1.6
146.11717	0.6
150.11269	0.8
187.72556	0.4
268.29990	0.5
282.90335	0.4
294.31332	0.4
312.32538	63.4
313.32666	0.5
356.35193	3.8
374.36194	100.0
375.36588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57830	1.3
55.05502	11.8
57.59827	1.2
60.47795	1.3
63.43598	1.3
65.03905	1.5
67.05493	25.5
69.03403	1.9
69.07061	7.1
70.06603	1.6
78.89059	1.4
79.05480	27.7
81.07034	61.4
83.05010	1.6
83.08604	11.5
85.02901	3.8
87.04452	1.9
91.05441	23.0
92.05773	1.8
93.07021	42.1
94.07362	2.1
95.08582	80.8
96.08900	3.2
97.06494	2.3
97.10162	2.2
98.53852	1.7
105.07013	29.7
106.07373	2.3
107.08574	41.6
108.08920	2.4
109.06557	2.8
109.10139	30.3
110.10494	7.1
111.04438	2.2
112.97765	1.7
117.07040	7.2
119.08567	22.5
120.08919	3.0
121.10109	40.8
121.10835	1.8
123.11690	3.3
127.03953	1.7
129.07007	6.6
130.06526	6.1
131.08539	16.6
133.06470	2.2
133.10107	19.1
135.08049	2.9
135.11670	39.6
136.11134	1.7
136.12045	9.0
137.06001	2.9
137.09560	1.6
142.07692	1.5
143.08543	13.0
145.02827	1.6
145.10069	19.0
147.08063	1.7
147.10657	2.3
147.11642	15.4
149.09637	3.2
149.13261	10.2
155.08530	3.1
157.10086	11.6
159.11620	15.7
159.24751	1.5
160.43631	1.4
161.13220	20.8
162.13611	1.7
163.07529	6.3
163.14822	1.7
169.10150	6.0
171.11682	9.2
173.13245	3.6
175.07545	1.9
175.14830	5.6
176.15154	3.0
177.09113	6.1
177.16336	14.9
179.11046	1.6
181.08638	10.4
183.11664	3.6
185.09679	1.7
185.13335	7.2
187.14848	6.9
189.09106	1.9
194.16261	2.8
195.11707	2.8
197.13245	3.5
199.14708	5.2
201.16443	2.7
209.13303	1.8
211.14891	7.1
211.16872	3.3
212.17307	6.9
213.16374	1.8
217.12393	2.0
223.14886	2.6
229.12360	1.8
231.13852	3.1
237.16318	2.7
239.17944	3.0
245.15388	1.6
255.21014	2.5
257.15384	7.7
269.22580	2.5
279.20972	10.6
283.16882	1.9
293.22662	9.4
297.22214	9.9
315.23178	13.1
321.22186	9.2
333.24255	1.7
338.22095	9.6
339.23117	42.4
356.23068	6.8
357.24274	2.6
374.26968	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	374.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.05492	18.9
58.42964	3.6
61.42027	3.8
63.94213	3.9
65.04820	3.5
67.05501	38.8
68.05826	6.7
69.03413	5.0
69.07065	6.6
70.73080	4.2
71.04959	6.0
79.05483	55.7
80.05798	9.7
81.03414	6.1
81.07043	54.9
81.38726	3.8
82.07375	9.6
83.08590	5.4
85.02911	4.8
91.05456	83.0
92.05785	35.9
93.07018	90.4
94.07365	23.7
94.28062	4.6
95.04964	8.8
95.08584	59.2
95.81203	4.0
96.08931	7.2
96.37846	4.1
97.06564	5.1
105.07005	91.3
106.07330	34.2
107.08562	56.0
108.08898	27.9
109.06519	5.5
109.10153	30.6
110.10468	5.8
115.05443	4.5
117.06992	44.2
118.07303	26.6
119.08580	67.5
120.08887	27.6
121.06479	10.0
121.10091	35.0
122.06840	6.7
122.10453	15.5
128.06252	6.9
129.06950	21.5
130.07257	7.8
131.08562	47.8
132.08868	32.6
133.10106	55.5
134.10443	35.8
135.08043	10.6
135.11633	8.2
136.12006	5.9
139.03850	5.3
141.07007	6.0
142.07692	7.7
143.08572	36.5
144.08873	31.5
145.10089	69.4
146.10429	48.9
147.11690	27.3
148.11990	21.9
148.93674	4.2
149.13145	4.5
155.08530	19.1
156.08864	10.0
157.10083	27.5
158.10451	22.5
159.11635	54.6
160.11978	35.4
161.13226	21.0
162.13522	6.3
163.11128	24.3
164.11513	17.8
168.08810	4.9
169.10001	20.5
170.10471	9.1
171.11624	9.2
172.12018	8.3
174.02876	4.6
174.13551	5.4
181.10127	9.5
182.10413	5.8
183.11609	9.9
184.12044	20.2
185.13205	27.3
186.13629	26.7
188.15163	5.0
193.10103	5.0
194.10565	4.2
195.11575	8.1
196.12048	9.5
197.13246	9.1
198.13612	10.4
200.15144	8.5
203.10602	5.3
208.11992	6.8
209.13354	6.4
210.13559	6.6
212.15167	7.4
213.12891	5.4
213.16345	4.3
222.13631	5.5
228.10928	6.1
236.15111	8.0
247.04678	4.9
292.21338	22.6
310.22397	33.6
320.20929	17.4
328.23233	4.3
338.21875	97.5
339.22974	7.2
355.22321	6.4
356.22940	61.8
373.23743	7.9
374.23962	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	374.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01859	1.5
55.05498	2.4
55.36193	0.3
56.05842	0.4
57.03368	0.3
59.75780	0.3
65.03925	1.9
67.05494	11.2
68.05817	2.0
69.03401	0.7
69.07040	1.4
75.93860	0.3
79.05469	8.6
80.05802	2.2
81.03417	0.4
81.07038	8.2
82.07356	2.4
83.04954	4.6
83.08609	0.7
84.05286	0.7
85.02888	7.8
85.06561	0.4
85.51707	0.3
86.03216	0.9
89.36198	0.4
91.05448	7.7
92.05820	2.7
93.03384	1.6
93.07018	8.0
94.07355	2.3
95.04938	1.9
95.08587	5.6
96.08932	2.1
97.06490	0.7
105.07001	11.2
106.07346	5.0
107.04935	1.7
107.08578	10.1
108.05325	0.4
108.08920	3.8
109.06458	2.7
109.10123	3.0
110.10465	0.8
111.04425	29.4
111.08060	0.4
112.04749	9.6
117.06989	2.5
118.07323	0.9
119.08546	6.1
119.38304	0.3
120.08908	2.8
121.06461	0.7
121.10120	4.4
122.10452	1.6
125.05974	4.7
126.06298	1.9
128.06129	0.5
129.06972	1.9
130.07263	0.4
131.08560	5.2
131.26697	0.4
132.08867	4.2
133.10124	4.8
133.11028	0.5
134.10443	2.4
135.07997	0.8
135.11674	2.1
136.11966	0.7
137.09608	0.6
138.09874	0.5
142.07755	0.6
143.08577	2.7
144.08957	1.7
145.10081	6.0
146.06683	0.4
146.10422	5.1
147.07967	0.6
147.11656	3.5
148.12019	1.8
149.09590	0.6
149.13229	0.6
150.09978	0.4
150.13652	0.4
153.05489	2.0
153.45081	0.3
154.05743	0.7
155.08533	1.6
156.08879	0.6
157.10081	1.7
158.10464	2.0
159.07941	0.4
159.11676	3.7
160.11974	3.6
161.09686	0.8
162.09987	0.4
163.07559	0.4
163.11160	0.4
167.06934	0.5
167.54591	0.4
169.10007	0.7
170.10493	1.4
171.11697	2.3
172.12039	1.6
173.09605	2.2
173.13231	2.1
174.09932	2.0
174.13693	1.3
175.14786	1.7
176.15170	0.8
177.09076	0.5
182.10512	0.5
183.11565	1.7
184.12096	1.5
185.13289	0.5
186.13626	0.6
187.11093	0.6
187.14734	0.8
188.11461	0.5
188.15085	0.5
195.11543	0.4
198.13602	0.7
199.14738	0.7
200.15060	0.7
202.16660	0.9
203.10658	0.4
207.11479	0.4
208.12056	0.5
210.13504	0.7
212.15141	0.9
213.16406	0.4
214.16666	0.7
215.17920	0.6
216.10957	0.5
228.18283	0.4
228.66663	0.4
230.12457	0.6
236.15147	0.6
292.21445	0.6
320.20975	0.6
338.21945	3.2
356.22925	3.7
373.23657	12.1
374.23987	100.0
392.24875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72947	0.4
52.31629	0.4
52.79194	0.4
53.03935	1.1
55.01861	1.9
55.54747	0.4
57.03427	8.2
59.04963	0.6
61.02912	13.0
63.06291	0.4
69.03413	23.7
71.04970	2.2
71.45779	0.4
73.02893	6.5
81.03403	7.3
81.51871	0.6
83.04956	0.5
84.08136	2.1
85.02888	100.0
86.03295	0.5
87.04455	8.6
90.10217	0.5
91.03935	6.2
92.09167	0.9
97.02871	26.9
99.04431	5.1
102.63842	0.6
103.03900	0.6
108.39876	0.5
109.02863	9.5
110.94955	0.4
111.04376	0.5
115.03925	5.0
125.35213	0.5
127.03885	19.8
133.04926	6.2
136.06158	17.9
136.07599	0.8
141.30032	0.4
145.04933	34.2
148.07587	1.3
163.05975	16.5
164.07050	3.3
165.07413	1.1
176.07053	2.4
189.50751	0.6
194.08070	3.9
195.08615	3.5
212.09186	1.3
225.09679	2.1
325.11267	1.9
374.14474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12115	0.5
52.98040	0.4
53.03933	0.8
53.30808	0.4
54.96937	0.4
56.57830	0.4
57.03415	1.1
57.03946	0.4
58.90366	0.4
60.60535	0.5
61.02892	3.0
61.03167	0.5
64.33987	0.6
64.69294	0.5
69.03411	4.6
71.04962	0.5
73.02893	0.8
78.87740	0.4
81.03384	2.9
85.02887	18.2
85.77016	0.4
88.54949	0.4
89.03905	5.4
97.02861	6.0
99.04450	1.0
109.02840	2.1
114.52065	0.5
117.03356	19.2
127.03869	2.8
134.03604	2.1
135.04356	2.4
145.02826	69.9
145.04765	2.2
149.05966	10.6
153.05383	0.8
162.03131	1.2
163.03870	6.6
174.06712	0.5
177.05429	100.0
180.08720	0.5
195.06493	33.6
199.02977	0.5
266.23038	0.7
326.46350	0.5
367.77078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.05497	2.4
57.03422	4.3
61.01129	1.3
61.02917	5.8
62.06067	0.8
65.24027	0.5
67.05533	0.5
68.29893	0.5
69.03074	0.8
69.03414	14.5
71.04974	6.1
73.02908	4.0
73.06535	0.6
75.04470	4.6
77.00614	0.7
81.03398	90.2
83.01289	0.6
83.04971	0.8
84.08105	1.1
85.02886	34.1
86.99039	1.3
87.04443	5.2
89.00600	1.1
91.03925	2.8
91.05495	0.6
92.68159	0.6
95.04905	0.8
97.02870	9.5
99.04434	6.9
103.03949	0.6
103.05460	0.7
104.00339	0.6
105.00073	1.3
109.02862	100.0
111.04410	1.1
113.05990	5.8
115.03909	3.2
119.04916	3.4
120.08070	11.0
124.03913	2.9
127.03879	14.2
130.08575	2.4
130.33499	0.5
131.06987	0.6
133.04887	0.8
141.05446	8.1
145.04936	6.5
147.04381	12.6
159.06497	11.1
163.06038	3.1
166.08585	2.3
166.10007	0.6
177.05753	2.4
177.07545	5.3
195.06993	1.2
195.08592	27.9
198.07573	1.1
213.56654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04391	2.6
54.91447	2.6
55.05499	19.0
67.05492	48.3
69.07048	7.6
71.04952	3.0
75.72253	3.0
79.05473	54.4
81.07032	66.6
82.68153	2.8
83.04981	3.1
83.08618	12.2
91.05458	57.8
93.07020	77.1
95.04960	19.0
95.08585	61.8
97.06530	4.8
105.07014	99.6
107.04940	6.5
107.08570	69.4
109.06491	23.8
109.10156	26.5
111.04408	4.7
117.06971	29.6
119.08561	100.0
121.06489	12.2
121.10151	36.7
123.04440	5.2
123.08060	4.1
125.05979	81.8
127.07545	3.0
128.06215	5.6
129.06964	21.9
130.07715	3.5
131.08533	61.6
133.06454	5.0
133.10097	51.6
134.89729	3.6
135.11685	32.6
136.68831	2.9
139.49434	3.3
141.07031	4.8
142.07744	6.5
143.08554	46.0
145.10081	85.0
147.08003	4.5
147.11656	29.1
148.26703	3.6
149.13243	7.3
153.05463	32.1
154.07755	5.1
154.09187	3.4
155.07051	17.3
155.08551	20.1
157.10065	45.1
159.08061	4.0
159.11627	49.4
159.12709	3.3
161.09644	4.3
161.13197	24.3
167.07104	4.1
167.08551	12.9
169.10086	22.2
171.11653	39.9
173.09528	4.2
173.13203	12.2
175.07538	11.9
175.11171	4.4
175.14760	5.4
179.06973	12.0
179.08453	3.4
181.10146	13.9
182.10965	4.1
183.11717	18.0
185.09573	5.2
185.13203	27.3
187.14833	16.2
189.09076	4.3
193.10121	5.7
195.11641	6.3
197.13272	12.6
199.14906	11.4
201.16374	21.0
203.10623	4.2
203.14372	3.8
207.11592	4.4
209.13220	7.2
211.14824	5.6
213.16301	33.8
215.17882	23.5
217.19409	3.6
221.13248	4.2
222.23988	2.9
227.10489	4.4
227.14482	3.7
227.17941	35.0
229.12166	4.0
231.17368	31.7
241.12112	4.0
251.17839	5.5
252.28662	3.3
253.19513	3.6
254.24678	6.0
255.13695	6.7
277.19437	4.3
298.64432	3.2
309.22162	4.3
319.20483	15.8
337.21503	84.2
355.22528	74.6
373.23584	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2371
Annotation	Ferutidin
Peak:m/z	Relative Intensity
55.05506	10.7
64.92425	2.6
67.05492	26.5
69.07051	3.9
69.31058	2.4
79.05476	41.9
81.07047	44.9
83.08581	6.1
91.05472	42.1
93.07027	45.4
95.04947	10.4
95.08584	31.6
97.06528	2.9
105.07014	48.5
107.04948	10.0
107.08586	43.7
109.06518	12.5
109.10163	14.3
111.04449	15.1
117.07021	16.1
119.08568	44.1
121.06496	3.1
121.10145	28.0
125.05973	62.1
129.07002	12.2
130.07770	3.4
131.08549	32.5
133.06459	3.5
133.10106	30.7
135.04285	2.8
135.08023	3.4
135.11667	15.2
139.03909	3.9
142.07806	3.8
143.08537	16.6
144.21172	2.3
145.10088	35.6
147.08064	4.3
147.11670	23.3
149.02229	4.4
149.13263	3.9
153.05443	33.9
155.07022	15.4
155.08519	11.3
156.09387	3.1
157.10101	14.9
159.08057	3.1
159.11662	36.0
161.09567	2.7
161.13258	13.6
167.08429	2.9
169.10112	13.4
171.11729	5.7
173.09561	4.9
173.13225	5.9
175.07507	12.6
175.14818	16.2
179.07013	5.0
181.10069	9.7
183.11684	13.2
185.13304	11.7
187.14795	5.8
189.16379	4.1
189.29561	2.4
189.74368	2.2
195.11699	11.1
197.13214	5.4
199.14720	8.4
201.12715	3.8
201.16367	19.2
208.37007	2.4
209.13196	4.3
211.14798	5.2
215.18015	4.9
215.50430	2.2
221.13272	3.3
223.14723	2.4
225.12770	2.5
227.10976	2.6
227.14453	3.4
229.08037	2.6
229.12170	4.7
235.14787	9.7
243.13777	2.4
251.31714	2.6
255.13730	4.2
263.17926	3.8
277.19437	5.4
291.20908	2.9
309.22037	5.9
319.20627	11.0
329.24741	2.9
337.21533	42.2
355.22635	72.9
373.23688	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	373.2368
Annotation	[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester  4-methoxybenzoic acid
Peak:m/z	Relative Intensity
55.01869	1.2
55.05488	4.0
57.03405	0.8
59.50246	0.7
63.49540	0.7
65.03914	3.0
67.05492	13.5
73.32702	0.7
79.05468	10.0
81.07048	7.6
83.04949	6.6
83.08621	0.9
85.02884	9.4
88.65628	0.7
91.05466	8.3
92.08673	1.5
93.07020	11.7
94.21462	0.8
95.04931	1.3
95.08584	6.0
97.06524	0.8
105.07014	13.4
107.04955	1.3
107.08573	11.5
109.06490	1.7
109.10133	1.8
111.03653	1.5
111.04422	42.1
117.06979	1.9
119.08570	7.3
121.10120	4.2
123.07994	1.1
125.05940	2.8
129.07033	1.2
131.08510	6.8
133.10100	5.1
135.08109	0.8
143.08488	3.6
145.10110	9.7
147.11673	4.3
149.09666	1.1
155.08459	1.3
157.10088	4.1
159.08104	1.1
159.11676	7.6
161.09540	1.0
161.13214	1.4
169.10069	3.5
171.11647	1.3
173.09572	3.4
173.13280	3.4
175.11168	0.8
175.14743	1.4
177.09035	0.8
183.11668	1.7
185.13237	1.3
187.14763	0.8
187.34920	0.8
197.13191	1.2
199.14807	1.3
201.16357	1.0
215.10628	0.9
322.98352	0.8
373.23657	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	373.2367
Annotation	[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester  4-methoxybenzoic acid
Peak:m/z	Relative Intensity
55.01866	1.2
55.05501	0.7
62.51708	0.6
63.49212	0.7
65.03913	1.6
67.05493	14.3
69.07049	1.0
79.05466	8.8
81.07024	5.5
82.26327	0.7
83.04966	6.0
85.02892	14.6
91.05472	6.2
92.09293	1.5
93.03390	0.8
93.07024	9.7
95.04940	2.9
95.08585	5.4
97.06519	1.4
103.01245	0.7
105.07008	10.9
107.04934	1.5
107.08578	14.2
109.06522	1.0
109.10149	2.9
111.04422	40.9
117.07001	3.0
119.08541	6.2
120.76361	0.8
121.06488	1.7
121.10133	2.8
122.96766	0.6
125.06013	1.2
129.06976	0.9
130.07774	1.2
131.08519	6.3
133.10147	5.2
135.08165	0.9
135.11697	1.2
143.08533	3.8
145.10098	9.1
147.08116	0.9
147.11697	3.7
157.10098	2.7
159.11664	4.2
161.09633	1.1
164.52734	0.7
169.10001	2.4
171.11626	1.2
173.09526	3.1
173.13242	1.5
183.11722	1.0
185.13293	1.2
199.11113	0.7
204.38875	0.7
211.15002	0.8
373.23636	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	373.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01884	2.0
55.05509	9.3
60.22931	1.8
63.67048	2.0
67.05495	29.6
69.07072	7.3
79.05476	50.9
81.07037	67.2
83.04973	3.3
83.08614	2.2
85.02894	2.4
91.05455	55.5
92.08575	3.2
92.74432	2.6
93.07025	72.4
95.04943	13.3
95.08591	41.9
97.06523	2.9
98.85336	2.0
105.07011	86.7
107.04946	5.5
107.08578	63.1
109.06469	17.0
109.10175	16.2
111.04449	4.7
117.06985	23.5
119.08546	56.0
121.06430	2.8
121.10103	38.2
123.07971	2.8
123.11650	2.7
125.05968	96.5
125.09621	3.7
128.06183	2.1
129.06982	21.5
130.07785	3.2
131.08534	42.5
133.06494	3.1
133.10098	44.6
133.11024	3.0
135.08025	10.3
135.11661	14.4
139.03882	4.5
139.86967	2.2
141.06979	9.1
142.07788	9.8
142.38120	2.0
142.79790	2.2
143.08545	34.7
144.09299	2.8
145.10114	45.2
147.11671	36.0
149.09648	2.8
149.13214	10.2
153.05443	58.1
153.06734	3.3
155.07011	28.0
155.08527	14.2
156.09320	4.1
157.10075	34.2
159.08084	4.8
159.11664	64.7
161.09579	4.7
161.13237	24.5
163.07477	4.0
167.07021	3.1
167.08389	3.4
168.09300	2.9
169.10097	14.3
171.11606	20.2
171.15822	2.5
173.09587	2.3
173.13266	14.2
175.07455	3.2
175.11128	2.2
175.14799	25.5
177.09122	4.7
179.08516	2.9
181.08632	2.5
181.10088	11.2
183.11688	15.5
185.09576	3.2
185.13216	19.4
187.14819	11.3
189.09109	4.5
189.16339	4.6
191.10455	2.4
193.10139	4.9
195.11638	19.4
197.13213	13.8
199.11185	4.0
199.14784	13.0
201.12634	4.3
201.16336	37.6
207.11739	4.8
209.13235	13.4
211.11121	3.1
211.14828	5.0
215.14417	2.6
215.17891	3.6
217.12296	3.6
221.13213	5.2
223.14771	5.3
227.10583	3.2
229.12192	10.9
235.14706	9.1
236.15486	2.4
237.16316	3.5
241.12004	2.7
243.13925	2.9
255.13730	4.1
277.19427	14.4
291.20990	12.8
309.22122	5.1
319.20511	9.3
337.21481	70.1
338.21829	2.9
355.18362	5.0
355.22592	100.0
356.22949	8.4
360.82776	2.3
373.23703	67.4
373.28290	2.7
374.24170	2.7
384.52640	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	373.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
53.08508	0.7
55.01842	1.1
55.05499	5.0
65.03926	1.0
67.05491	15.4
69.03415	1.2
69.07053	4.7
74.75759	0.7
77.03919	0.8
78.03896	0.7
79.05048	1.8
79.05475	29.3
81.06590	1.7
81.07038	31.3
83.04976	1.7
83.08582	3.7
91.05455	27.9
93.07018	31.0
95.04940	8.8
95.08582	23.0
97.06506	3.7
99.78443	0.7
105.07012	37.6
107.04919	5.9
107.07858	1.6
107.08575	39.2
109.06503	14.9
109.10134	10.3
111.04425	4.0
111.08044	1.1
117.06993	11.9
119.04890	0.9
119.08556	28.3
121.06483	5.1
121.10109	15.0
123.08020	1.8
125.05964	100.0
125.09526	1.0
128.06186	1.9
129.06961	8.0
130.07724	1.0
131.08536	21.4
131.09456	1.5
133.06488	3.7
133.10095	24.3
135.04411	2.0
135.08023	1.9
135.11671	8.1
137.05951	2.0
139.03885	4.5
141.06956	1.9
142.07770	4.1
143.08546	11.7
144.09308	1.3
145.06476	0.9
145.10092	27.2
147.07999	3.5
147.11676	18.5
149.05995	1.6
149.13193	1.3
151.07494	1.2
153.05449	46.5
153.06757	2.1
154.07718	1.1
155.07011	15.4
155.08525	9.0
156.09271	1.2
157.06493	0.9
157.10078	15.6
159.08054	3.5
159.11662	24.5
161.09610	3.6
161.13216	8.9
163.07518	2.1
165.06935	1.4
165.08939	0.8
167.07144	1.2
167.08533	3.4
168.09291	1.6
169.10115	9.5
170.10925	0.8
171.08012	3.3
171.11642	8.0
173.09532	1.0
173.13228	8.0
175.07559	1.3
175.14821	6.1
177.09038	1.2
179.07054	1.6
179.08501	1.0
181.10062	7.1
183.11658	12.3
185.09605	1.1
185.13194	11.1
185.38554	0.8
187.07426	1.6
187.11057	2.1
187.14873	8.4
189.09117	3.7
189.12759	1.1
189.16353	8.8
191.10562	1.4
193.10086	1.2
195.11691	4.5
197.13197	9.2
199.11172	2.0
199.14729	9.0
201.12752	1.5
201.16367	26.0
203.10690	1.7
207.11699	3.5
209.13263	4.9
211.11038	0.9
211.14803	4.7
213.12714	1.9
213.16359	3.1
215.10577	1.5
215.14227	1.1
215.17935	9.1
217.12224	2.1
221.13336	3.7
223.14832	1.2
225.12737	1.3
225.16344	3.5
227.10776	1.3
229.12215	5.6
231.13744	1.9
235.14786	5.0
237.16350	1.7
241.12126	3.4
243.13788	6.6
247.13046	1.0
249.16560	1.3
251.17821	1.5
253.19347	1.4
255.13896	1.2
261.14850	2.0
263.17719	1.4
277.19443	5.6
281.15302	1.1
291.21036	7.2
295.20566	1.5
309.18701	1.2
309.22079	5.0
319.20541	5.8
327.23328	1.3
337.21558	31.1
355.22626	46.3
373.23654	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.237
Annotation	Asperugin C
Peak:m/z	Relative Intensity
51.23775	1.0
52.25179	0.9
55.05494	6.1
63.47481	0.8
65.03923	1.2
65.72919	1.0
67.05495	20.1
79.05469	13.7
80.90352	0.9
81.07027	27.8
83.08598	8.9
87.33470	1.0
91.05461	18.1
92.41177	1.0
93.07017	19.5
95.04924	4.7
95.08585	32.9
97.06464	1.3
105.03367	4.8
105.06368	1.7
105.07021	30.7
107.08578	17.1
109.06513	1.7
109.10135	13.8
109.48017	1.2
115.05444	1.0
117.06976	8.7
119.08568	23.8
121.06480	4.1
121.10111	17.8
123.04372	1.7
123.08071	1.5
125.05978	1.8
128.06284	1.6
129.06961	6.0
131.08530	17.4
133.06433	8.5
133.10077	13.4
135.08003	4.4
135.11668	11.8
138.06223	1.1
141.06963	1.5
142.07671	1.5
143.08560	11.0
145.10080	10.5
147.08047	2.5
147.11644	9.2
149.13191	2.3
151.07524	5.5
151.11226	1.5
155.08519	5.2
157.10110	11.1
159.07986	1.5
159.11670	14.9
161.05914	5.0
161.09605	2.0
161.13200	14.4
163.07547	2.0
168.09210	1.7
169.10120	5.5
171.11687	5.1
173.13171	4.4
175.07556	9.6
175.14751	6.1
177.09091	4.8
177.16370	11.4
179.06995	35.2
179.08464	1.7
181.10081	2.1
183.11613	7.5
185.13222	5.2
187.07454	2.0
187.14821	2.1
189.09123	8.5
191.10654	1.1
195.11655	2.4
197.13213	5.9
199.11121	1.1
199.14946	1.7
201.09016	1.5
203.10576	1.4
209.09674	1.1
209.13274	1.7
209.98967	1.1
215.10550	3.3
221.13196	1.6
227.10764	2.1
229.12167	4.6
231.13806	1.4
241.12077	2.4
243.13789	1.7
255.13795	7.9
273.14767	4.2
291.21060	2.2
309.22119	1.6
313.17865	1.2
313.21555	1.5
337.21585	21.4
355.22607	14.9
373.23633	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	373.2366
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
55.05505	10.5
61.05989	1.8
67.05494	25.6
69.07063	4.6
79.05470	29.6
81.07034	34.2
83.08624	3.3
85.02883	3.4
91.05458	50.9
92.09103	7.5
93.07020	46.3
95.04871	2.6
95.08573	26.7
97.06503	1.7
105.07014	64.6
107.04950	2.6
107.08578	40.0
107.28737	2.2
109.10114	17.5
115.05383	2.2
116.06231	3.6
117.06971	21.2
119.04862	2.1
119.08549	39.4
121.06496	4.0
121.10143	17.1
125.06030	2.0
128.06198	10.3
129.06987	35.4
130.07700	2.8
131.08537	44.0
132.60352	2.0
132.67551	2.0
133.06540	1.9
133.10098	31.3
135.11659	16.4
141.06976	7.5
142.07759	10.2
143.08540	36.6
144.09322	2.5
145.06471	3.1
145.10089	31.1
147.08017	9.9
147.11659	30.0
148.53091	1.9
149.13246	7.7
150.48979	1.9
153.06955	2.5
154.07654	2.3
155.08554	18.2
156.09306	2.3
157.06487	8.0
157.10115	21.2
159.08092	4.6
159.11665	30.8
161.09546	2.0
161.13211	31.5
163.07433	2.8
163.14912	1.8
165.06943	3.3
167.08569	7.9
168.09329	8.6
169.10114	14.0
171.11694	14.7
173.13252	4.3
175.07529	30.6
175.14748	3.6
176.08342	2.7
177.09088	3.8
179.08595	2.8
180.09303	3.0
181.10124	15.2
182.10870	3.6
183.11626	24.3
185.09731	2.7
185.13217	12.0
187.11238	3.1
189.09058	7.5
193.10162	3.3
195.11676	11.8
196.08855	2.2
197.13263	8.0
199.11125	2.7
199.14809	10.3
201.09105	3.3
203.10742	3.9
207.11769	2.5
209.09586	3.1
209.13193	10.5
211.11131	15.1
211.14719	3.9
213.08936	2.5
213.16414	3.2
215.10672	4.3
216.88455	2.0
217.12230	3.6
221.13268	3.1
225.16417	3.1
227.10612	19.9
229.12263	24.1
241.12213	9.3
243.13850	3.4
251.17900	2.9
253.19475	8.0
255.13745	4.1
263.14215	2.8
269.15204	3.2
277.19418	4.0
281.15228	2.2
291.21072	7.4
309.22086	2.9
319.20538	14.9
337.21564	97.0
355.22583	100.0
373.23630	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2369
Annotation	Asperugin C
Peak:m/z	Relative Intensity
52.52905	1.6
55.05492	7.4
56.94482	1.9
67.05487	17.6
71.74102	2.0
79.05468	17.3
81.07034	26.8
81.88542	1.9
83.08599	11.9
91.05452	17.3
93.07012	17.3
95.04943	3.3
95.08593	34.8
105.07014	29.1
107.08575	25.0
109.10151	14.8
116.37117	2.1
117.07017	4.9
119.08554	23.5
121.10094	15.6
129.06955	4.3
131.08524	16.8
133.06522	4.1
133.10118	10.1
135.08099	2.1
135.11707	8.7
143.08551	4.6
145.10124	13.4
147.11688	8.8
149.13228	3.3
157.10039	3.7
159.11703	8.0
161.09581	2.4
161.13249	12.1
163.07541	2.5
173.09705	3.2
175.07544	11.6
175.14912	2.7
177.16393	9.1
179.07011	31.2
183.11702	3.6
189.09126	3.7
199.14865	2.3
201.08994	2.7
231.13861	2.6
291.05966	2.0
337.21564	17.3
342.02527	2.1
355.22568	13.2
373.23621	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	373.2368
Annotation	Asperugin C
Peak:m/z	Relative Intensity
51.79131	0.6
51.84330	0.7
55.05497	3.2
64.20591	0.7
65.03933	3.0
67.05491	13.6
69.07066	1.4
70.19215	0.7
79.05484	12.4
80.48815	0.7
81.07039	13.7
83.04955	4.6
85.02888	8.3
91.05472	12.3
93.03381	1.5
93.07018	15.2
95.04949	1.6
95.08596	8.2
97.06490	0.8
105.07013	15.5
107.04893	1.6
107.08562	13.2
109.06503	1.5
109.10123	1.6
111.04421	31.6
117.07008	5.7
119.08569	13.5
121.10132	8.4
125.05953	10.2
129.06999	3.3
131.08545	8.9
133.06487	0.8
133.10143	9.9
135.07973	1.8
135.11674	1.4
143.08522	8.0
145.10109	12.6
147.08154	1.0
147.11671	10.3
153.05475	5.6
155.07004	1.2
155.08521	3.2
157.10092	6.1
159.08018	1.7
159.11681	12.8
161.09512	1.0
161.13213	2.0
163.07567	0.9
167.08434	0.9
169.10170	2.8
171.11571	2.7
173.09602	3.1
173.13239	4.3
175.14778	11.8
177.09134	1.6
181.10103	1.1
183.11653	3.3
185.13179	3.3
187.14815	1.5
193.10152	0.8
195.11714	1.6
197.13339	1.8
199.14795	1.7
201.16370	4.2
209.13155	0.9
216.72917	0.9
221.13275	1.1
229.12187	1.0
241.17459	0.9
244.20346	0.9
277.19528	1.0
281.15546	1.0
291.21075	1.4
319.20468	1.8
337.21613	9.1
355.22641	10.6
373.23645	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	373.2367
Annotation	Asperugin C
Peak:m/z	Relative Intensity
50.62445	2.0
52.83918	2.2
52.90070	2.5
54.47755	2.1
54.81593	2.6
55.05497	12.0
57.75983	2.4
60.65589	2.3
62.52535	2.4
67.05497	24.5
69.07050	3.7
79.05481	42.8
81.07038	62.2
83.08595	10.7
91.05454	39.2
93.07028	55.7
95.04933	11.6
95.08595	40.6
97.06533	4.4
105.07018	75.8
107.04939	5.7
107.08564	68.7
109.06536	4.8
109.10132	13.5
110.69749	2.5
110.86483	2.7
111.04414	4.5
111.54514	2.6
117.06973	24.7
119.08556	57.2
121.06484	4.0
121.10125	31.7
125.05973	77.7
125.09604	4.7
127.24729	3.0
129.06989	18.2
131.08554	46.4
133.10121	38.4
135.08038	4.6
135.11697	10.7
139.03946	3.9
141.06982	4.5
142.07726	5.6
143.08534	27.7
145.10097	39.9
147.08096	3.1
147.11652	27.3
153.05460	42.5
155.07002	17.7
155.08467	20.2
157.10132	23.2
159.08086	4.2
159.11649	48.0
160.19511	2.8
161.09526	3.3
161.13242	15.5
167.08513	3.2
169.10069	12.1
171.11658	14.7
173.13187	6.2
175.07433	4.1
175.14841	23.2
177.09085	4.7
179.07088	3.2
179.08592	5.0
181.10051	4.2
183.11664	19.7
185.13283	19.3
187.11342	3.0
187.14789	16.8
189.16351	12.8
193.10072	3.4
195.11703	11.7
197.09615	3.0
197.13266	6.3
199.11180	2.6
199.14752	15.1
201.12541	4.6
201.16351	30.1
205.10182	3.5
209.13243	10.7
211.14876	6.0
213.16380	3.0
215.17970	4.0
217.12332	5.0
221.13217	6.1
225.12697	2.8
227.13916	3.0
229.12314	3.0
235.14755	5.5
241.50784	2.8
243.13730	3.4
249.16345	10.7
251.17838	3.5
255.13557	4.3
263.17767	3.8
269.15610	3.0
273.14777	5.3
277.19412	6.6
291.20975	6.5
309.21973	4.3
319.20496	6.5
337.21570	64.9
355.22586	100.0
373.23621	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81890	0.5
55.05503	13.3
57.03418	2.4
57.07058	3.2
58.33383	0.5
59.04987	2.4
61.02911	1.2
67.05492	23.6
69.03415	8.5
69.07053	19.7
69.07404	1.1
71.04976	3.0
71.08613	0.7
71.62625	0.5
74.25342	0.5
79.05473	5.0
81.03403	0.5
81.07037	24.3
83.04964	11.7
83.08602	6.9
84.26474	0.5
85.02882	9.8
85.06515	3.8
87.04415	0.5
91.05463	4.4
92.08887	0.9
93.07018	13.1
93.32671	0.5
95.04914	2.9
95.08584	40.1
95.09200	1.3
97.02872	1.1
97.06477	2.3
97.10148	3.2
99.04457	0.6
99.08068	7.3
105.07021	8.7
107.08578	26.1
109.02894	0.6
109.06499	9.6
109.10139	100.0
111.08063	6.6
113.09613	1.1
119.08557	35.1
121.10117	16.6
123.08036	18.7
123.11677	13.1
125.09635	1.0
127.03902	1.1
129.30231	0.5
131.08530	0.9
133.09055	0.7
133.09256	0.5
133.10098	29.4
135.11670	64.0
137.09589	23.8
138.10361	1.1
139.11102	2.3
142.82091	0.6
145.09996	0.8
147.04422	0.9
147.11685	4.9
148.17767	0.6
149.13255	7.3
151.11165	9.0
151.14815	10.6
153.12712	1.2
165.16388	2.8
173.13141	1.0
175.14784	36.3
192.14661	0.7
193.15848	37.7
211.16904	31.7
269.80002	0.6
373.23578	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2215
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03940	1.0
55.01872	0.5
55.05499	7.2
57.03422	0.6
57.07062	2.6
58.12808	0.5
59.04982	1.2
61.02912	1.2
63.19711	0.5
65.49844	0.5
67.05491	18.3
69.03410	9.1
69.07051	15.9
71.04979	3.0
71.08620	1.0
79.05480	3.6
81.03394	0.5
81.07037	22.1
82.61179	0.5
83.04966	8.9
83.08608	7.9
85.02891	10.3
85.06523	3.0
86.70888	0.5
90.26851	0.5
91.05466	2.3
92.08686	0.8
93.07025	9.0
95.04948	1.2
95.08582	36.3
97.02879	2.2
97.06521	1.0
97.10146	1.1
99.08079	2.7
105.07018	6.0
107.08571	26.0
109.06502	9.6
109.10138	100.0
111.08063	3.6
113.09609	1.3
119.08562	28.6
121.10120	11.8
123.08033	15.5
123.11673	9.0
125.09595	0.7
133.10097	20.8
133.11017	1.0
135.11667	80.7
137.09593	15.0
139.11197	3.2
145.51501	0.5
147.11674	1.1
149.13214	6.8
151.11176	9.4
151.14771	9.8
153.12720	1.3
165.16362	2.4
175.14795	25.6
193.15840	36.6
211.16893	33.8
212.17143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03933	1.0
53.46052	0.7
54.81692	0.9
55.01863	0.9
55.05506	8.3
57.03424	1.9
57.07073	1.2
61.02908	2.0
61.13879	0.8
62.16899	0.8
67.05495	10.9
69.03415	8.1
69.07056	5.2
71.04961	2.1
71.15905	0.8
72.08141	8.5
73.02876	1.1
78.97709	0.8
79.05466	7.6
79.68674	0.7
81.03397	4.8
81.07042	9.6
83.04956	3.3
84.08154	2.5
85.02886	17.9
85.06509	6.7
86.09687	2.0
91.05463	7.9
92.08885	4.3
93.07024	22.1
95.04944	28.4
95.08587	25.3
97.02867	5.0
97.10139	0.8
99.04413	1.9
99.08070	93.3
105.07021	14.0
107.04951	1.6
107.08583	17.6
109.02864	0.9
109.06504	4.4
109.10137	25.3
111.08042	1.4
113.09598	1.1
117.03393	0.9
119.08558	29.6
121.10123	5.5
122.05949	1.8
123.08023	3.3
123.11687	1.6
125.09586	1.4
127.03858	1.4
127.07484	1.0
131.08557	1.3
133.10106	100.0
135.08025	1.5
135.11658	22.1
135.32533	0.8
137.05974	3.6
137.09595	37.4
143.11801	1.6
145.02788	1.7
147.11676	1.6
149.13226	5.4
155.10649	9.3
157.06429	0.9
162.05501	1.7
163.03889	1.8
164.04205	4.2
171.11322	0.9
175.14798	24.1
177.05467	1.0
177.69719	0.9
181.04907	3.6
193.12166	1.0
193.15836	25.2
211.13522	1.3
211.16905	45.9
221.06079	0.9
258.09344	1.0
301.12582	1.8
373.13782	1.5
373.18271	19.9
373.22610	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	373.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01848	0.7
55.05490	3.5
57.03418	0.9
61.02901	0.5
66.21252	0.5
67.05486	7.9
69.03396	5.3
69.07059	5.3
70.06599	0.9
71.04971	2.4
72.08139	1.0
74.06055	0.6
79.05476	14.6
81.03381	1.2
81.07030	11.3
83.04953	2.6
83.06064	1.1
84.04488	1.5
85.02872	3.3
85.06526	2.8
86.04275	0.6
86.09690	13.3
87.75249	0.6
91.05460	53.4
92.09217	2.4
93.07022	17.4
95.04945	3.1
95.08576	5.8
97.02887	1.3
97.06480	5.7
99.04457	0.6
99.08064	0.8
103.05399	0.7
105.07014	32.6
107.04926	1.0
107.08574	7.2
109.06539	2.1
109.10148	6.0
111.08083	0.8
113.06029	0.7
115.05370	0.6
117.06994	8.2
118.77159	0.6
119.08556	100.0
121.06473	1.5
121.09536	0.5
121.10137	8.3
123.08027	1.1
123.11684	0.8
129.06966	0.9
130.06514	1.3
131.08514	3.0
133.06483	1.4
133.10106	6.0
135.08046	2.9
135.11699	2.7
137.05942	2.6
137.09595	8.5
142.07771	1.1
145.10114	1.4
147.08018	2.5
147.11662	30.2
149.09641	1.0
149.13228	0.7
157.07634	1.2
157.10158	1.2
163.07527	0.7
165.12671	6.7
167.07001	3.3
175.11153	29.2
175.14743	2.5
193.12193	24.6
193.15854	3.1
211.13239	5.3
211.16898	0.9
373.18179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1128
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.02362	0.4
53.03930	1.9
55.01849	0.3
55.92188	0.2
57.03419	3.3
59.04990	0.3
61.02894	0.4
65.03935	0.3
67.05491	0.3
69.03400	2.1
70.06574	0.5
70.95734	0.3
72.08139	0.5
73.02892	0.6
77.03922	0.3
79.05472	7.6
81.03404	0.6
81.07024	1.8
83.04982	0.5
84.07669	0.5
84.08127	6.5
85.02885	6.3
86.09695	1.4
89.03889	1.3
89.76366	0.3
91.05450	0.3
92.08640	0.3
95.01299	2.6
95.03951	0.3
95.04942	4.7
97.02853	1.3
101.10724	0.3
105.03370	100.0
107.04893	0.4
107.08559	0.4
109.02865	0.3
109.06513	0.6
109.10135	0.7
111.04410	0.4
113.02332	1.3
117.03342	3.3
118.03685	0.5
119.08560	0.7
121.10123	0.3
123.04409	8.1
127.03864	0.3
128.83801	0.3
129.10207	2.8
131.03384	0.7
133.10091	0.3
135.04384	3.8
136.04744	1.7
137.09593	0.6
141.01790	2.8
145.02829	11.5
145.03929	0.6
145.04871	0.3
146.03180	1.8
149.05972	1.8
163.03864	15.4
164.04216	7.8
177.05432	15.4
179.06993	20.7
181.04919	4.6
182.71901	0.3
193.15863	0.5
195.06450	4.1
197.08057	5.2
202.27457	0.3
211.09592	0.4
220.57683	0.3
285.76440	0.3
338.89230	0.3
355.09879	0.5
373.14398	0.5
373.18542	0.4
373.28043	1.4
397.04282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1125
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.00634	0.2
51.02361	0.3
53.03928	1.9
57.03418	1.6
61.03762	0.2
69.03411	0.4
71.01327	1.1
73.02895	0.7
77.03907	0.6
79.05457	2.2
81.03387	0.3
81.07024	0.5
83.04933	0.3
84.44051	0.3
85.02884	4.4
86.09695	1.1
91.05476	0.3
93.07014	0.4
95.01311	3.3
95.04939	4.6
99.00747	0.4
99.08039	0.5
103.03902	0.3
105.03370	100.0
107.08590	0.4
109.10139	0.6
113.02356	1.2
114.12531	0.3
123.04404	3.4
131.03384	0.3
133.10083	0.6
135.11693	0.3
141.01793	4.4
147.04398	0.4
162.53015	0.3
177.05421	0.3
179.06992	14.3
193.15857	0.5
197.08038	8.3
240.83578	0.3
249.81706	0.3
330.32028	0.3
373.17523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66487	0.6
51.85186	0.7
53.00302	0.7
53.03927	0.9
55.01863	1.7
57.03426	28.0
59.04976	5.4
60.04518	0.9
61.02915	6.6
69.03410	76.0
69.07369	0.8
71.04962	0.9
73.02883	4.6
74.68607	0.8
75.04460	3.7
81.03392	4.7
85.02882	100.0
87.04442	47.3
87.04984	1.3
87.18661	0.8
91.03906	1.7
92.08704	1.7
92.09258	1.8
97.02863	62.5
99.04424	3.6
100.91734	0.8
103.03904	3.0
109.02856	5.8
115.03902	50.1
123.15021	0.9
127.03871	18.1
130.32695	0.9
133.04930	46.4
145.04912	24.4
150.07590	3.6
163.03841	0.9
163.05965	13.3
223.11693	5.3
236.79636	0.9
241.06995	0.9
259.08044	3.9
277.08972	1.2
295.10229	4.2
301.65814	0.8
391.65063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81868	0.9
55.01859	1.9
57.03430	26.6
57.30067	0.7
57.38272	0.8
59.04978	5.6
61.02909	5.6
66.34005	0.7
69.03416	75.7
71.01320	1.0
73.02903	6.4
75.04446	1.3
81.03399	5.4
82.05617	0.7
85.02888	100.0
87.04450	46.6
91.03928	1.9
97.02869	54.5
99.04433	3.9
103.03897	1.5
109.02855	6.8
111.56516	0.7
113.76241	0.9
115.03911	45.2
124.81015	0.7
127.03879	15.1
133.04939	46.1
144.06546	0.8
145.04941	22.3
150.07588	4.8
163.03893	1.6
163.05972	12.5
223.11816	4.6
235.90187	1.0
241.07166	1.3
259.08026	2.0
277.09232	1.1
295.10175	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	372.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02605	0.9
55.01849	1.0
56.17831	0.8
57.03171	1.3
57.03430	24.4
59.04985	4.9
60.41552	0.8
61.02914	5.1
61.05645	0.9
64.33112	1.0
65.90428	1.0
68.94745	0.8
69.03417	77.8
71.04955	1.2
73.02899	3.8
75.04458	1.8
81.03391	5.7
85.02888	100.0
87.04450	47.3
87.04983	2.1
91.03931	1.4
91.08160	0.9
97.02872	53.6
98.27147	0.8
99.04428	1.3
103.03929	1.5
109.02863	4.4
111.04409	0.8
115.03914	38.0
127.03889	13.2
133.03944	1.9
133.04944	50.6
145.04935	20.6
148.80174	0.8
150.07613	5.5
163.05974	10.9
177.53558	0.9
197.63327	0.9
223.11711	4.8
241.07079	1.3
259.07974	2.0
277.09109	1.6
295.10190	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	371.2214
Annotation	Microferinin
Peak:m/z	Relative Intensity
53.03923	0.8
55.05493	4.1
59.57673	0.8
65.03949	0.8
67.05490	10.7
69.07064	1.7
79.05474	12.5
81.07043	11.4
89.39303	0.7
91.05459	17.0
93.07021	14.7
95.04945	1.7
95.08585	8.5
95.71322	0.9
105.07005	17.1
107.08585	19.7
109.10162	3.4
117.07014	6.5
118.05012	1.0
119.08570	10.7
119.78130	0.9
121.06498	1.2
121.10134	6.0
128.06242	1.2
129.07005	5.9
130.07779	1.1
131.08557	13.0
133.06523	1.2
133.10123	8.6
135.08052	1.1
135.11713	3.3
141.06998	1.5
143.08542	10.8
145.10127	11.6
147.07971	1.0
147.11644	5.4
149.02359	1.2
155.08525	3.9
157.10107	6.6
159.08003	1.7
159.11621	8.2
161.09561	0.9
161.13239	5.3
163.07492	1.2
169.10127	3.6
171.07913	1.4
171.11647	5.9
173.09567	1.8
173.13260	4.0
175.07539	3.9
175.14851	0.9
177.09056	1.5
181.10179	1.8
183.11664	5.2
185.13235	3.6
187.11133	1.2
189.09036	3.4
191.10603	1.1
195.11664	3.4
197.13248	1.2
199.14825	1.0
203.10742	1.3
209.13139	1.1
211.11137	1.3
211.14745	1.2
215.10664	1.6
217.12245	1.2
231.33591	0.9
325.21509	1.2
353.21127	1.7
371.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2214
Annotation	Ferocinin
Peak:m/z	Relative Intensity
55.05496	1.7
60.69127	1.3
63.18180	1.4
67.05474	3.5
74.72252	1.4
79.05473	13.1
81.07024	7.2
89.05222	1.4
91.05460	24.6
93.07014	11.4
95.08578	7.6
105.07013	18.2
107.04951	1.8
107.08580	20.1
109.06523	1.5
109.10139	5.8
115.05484	2.1
117.06989	6.1
119.08575	15.2
121.10099	1.8
129.06998	7.2
131.08530	21.6
133.06482	1.8
133.10120	7.8
135.08005	1.7
143.08562	6.6
145.10121	6.9
147.11662	3.6
157.10112	1.7
159.11618	2.4
163.07503	1.7
167.08572	1.7
169.10080	2.5
175.07507	32.3
175.14812	7.2
177.09032	1.5
189.09169	1.5
362.90085	1.9
371.22079	100.0
371.26782	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	371.2212
Annotation	Ferocinin
Peak:m/z	Relative Intensity
50.81042	0.6
51.22209	0.5
55.01861	0.9
55.05499	0.6
65.03926	0.7
67.05500	6.5
69.07027	0.7
76.03909	0.6
77.21218	0.6
79.05473	11.1
81.07025	7.8
91.05455	18.2
93.07024	11.2
95.04910	1.0
95.08577	7.1
97.06529	0.8
99.44598	0.7
103.05433	0.9
105.03396	1.1
105.07015	17.8
107.08583	15.9
109.06500	1.1
109.10144	3.5
110.54557	0.8
115.05428	1.1
116.06223	1.8
117.06985	7.2
119.08570	13.3
121.06458	1.3
121.10097	1.6
128.06151	0.8
129.06982	5.7
131.08539	18.7
133.06427	1.6
133.10081	6.0
143.08527	5.0
145.06458	1.0
145.10068	5.6
147.08032	2.8
147.11646	4.0
153.59349	0.7
155.08554	1.3
157.10132	1.6
157.45630	0.7
159.11693	4.6
161.13167	1.5
163.07515	1.7
169.10106	1.6
170.12791	0.8
171.11584	1.3
173.09674	0.8
173.13194	2.7
175.07513	30.3
175.14792	4.3
177.09134	1.6
179.14308	0.9
181.10124	1.3
183.11667	0.9
185.09517	1.0
187.07501	0.8
189.09082	3.3
195.11699	1.2
197.13148	1.0
199.11177	1.1
201.09052	1.0
241.12042	1.3
371.22070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2213
Annotation	Lehualide F
Peak:m/z	Relative Intensity
53.03925	0.5
55.05509	2.8
67.05492	7.4
67.28135	0.4
69.07040	1.8
79.05474	12.6
81.06587	0.7
81.07038	10.5
83.08604	0.5
91.05463	12.4
91.07531	0.5
92.09253	0.8
93.07018	15.7
95.04948	2.2
95.08585	8.3
97.06481	0.4
105.07014	19.3
107.08578	18.0
109.06473	1.7
109.10124	3.3
115.05482	0.6
117.06988	5.0
119.08556	10.5
121.06443	1.6
121.10133	6.4
123.08055	0.8
128.06221	1.7
129.06989	4.2
130.07790	0.7
131.08534	10.9
133.06473	1.5
133.10092	7.1
135.08031	0.9
135.11694	1.9
137.05911	0.9
141.06950	0.9
142.07755	0.8
143.08537	8.6
144.09303	0.8
145.06483	2.2
145.10107	11.4
147.08043	2.1
147.11684	5.8
149.05969	0.6
149.13272	0.5
149.35782	0.4
151.07478	0.7
154.07762	0.5
155.08527	4.6
156.09319	1.9
157.10101	6.3
159.08040	2.1
159.11652	8.2
161.09592	0.8
161.13219	3.6
163.07558	0.8
167.08549	0.8
169.10139	4.6
171.07985	0.9
171.11676	4.4
173.09612	2.1
173.13252	3.8
175.07478	0.5
175.11256	0.4
177.09064	1.8
179.08521	0.5
181.10086	1.9
183.07983	0.7
183.11642	4.2
185.09616	0.9
185.13222	4.1
187.07416	0.5
187.11211	0.9
187.14862	1.0
189.09131	2.2
191.10628	0.7
195.11693	2.8
197.09608	0.8
197.13252	2.2
199.11179	1.8
199.14700	1.3
201.09119	0.6
203.10672	2.2
209.13187	1.0
211.11125	0.7
211.14763	1.5
213.09224	0.6
213.12698	0.8
215.10657	2.4
217.12224	1.9
219.13660	0.4
223.14825	1.9
225.12543	0.6
229.12206	0.6
229.15128	0.5
231.13879	0.6
233.13252	0.5
233.93729	0.4
239.17661	0.5
243.13866	0.6
251.18011	0.4
265.19577	1.7
269.15219	0.5
279.21057	2.0
289.19489	0.5
307.20435	0.9
325.21625	1.5
353.21161	0.6
371.22098	100.0
372.22241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2213
Annotation	Lehualide F
Peak:m/z	Relative Intensity
55.05501	6.1
55.49031	1.4
58.38642	1.5
67.05486	15.1
69.07046	2.8
70.90021	1.3
75.00397	1.3
79.05470	19.9
81.07033	23.0
81.17129	1.6
83.08584	2.8
83.77612	1.3
91.05463	49.3
93.07024	29.8
95.04929	6.3
95.08591	19.0
97.02853	1.9
98.63103	1.4
104.66021	1.5
105.03398	2.3
105.07018	48.0
107.04935	2.2
107.08572	34.1
109.06439	3.1
109.10151	11.0
115.05431	3.2
116.06203	2.7
117.06996	27.2
119.08560	31.4
121.06490	6.4
121.10116	9.6
125.02316	12.8
125.05982	6.2
128.06163	2.9
129.07010	13.8
130.07797	2.4
131.08546	40.3
132.35478	1.4
133.06445	2.2
133.10100	24.4
135.08017	2.4
135.11673	6.1
137.05957	1.9
139.03902	1.9
141.06984	5.6
142.07742	3.4
143.08548	16.1
144.09328	2.6
145.10109	33.5
147.08040	3.1
147.11662	12.6
153.05418	2.3
153.07021	1.8
155.08553	10.6
156.09384	1.8
157.10068	14.7
159.08029	2.4
159.11694	15.7
161.13168	3.3
163.07536	2.8
163.11182	8.3
165.06897	1.7
167.08611	2.0
169.10127	8.9
171.07899	1.8
171.11652	7.9
173.13239	8.2
175.07504	38.1
175.14879	5.7
180.09373	1.8
181.10051	11.6
183.11722	6.7
185.13231	3.3
187.07513	2.4
189.09129	3.6
195.11707	6.9
197.09523	1.8
197.13271	8.8
199.14851	2.5
201.09084	3.2
205.10114	2.3
207.11507	1.5
209.13278	2.5
211.15036	1.9
213.16362	6.3
219.11697	3.4
223.14848	2.2
227.10757	1.9
241.12187	2.8
247.14734	2.6
249.16475	2.8
262.54782	2.0
289.19489	6.3
307.20667	3.3
335.19995	20.2
353.20966	14.9
371.22116	100.0
371.26801	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	371.2215
Annotation	Guayulin D
Peak:m/z	Relative Intensity
53.03924	7.4
55.01860	3.3
55.05489	3.3
57.03424	1.9
61.02893	8.3
67.05484	14.5
69.03411	23.2
69.07046	10.3
71.04967	2.5
72.21593	1.7
73.02902	2.6
79.05466	19.1
81.03391	11.1
81.06678	1.8
81.07036	32.0
83.04953	3.8
83.08616	2.2
85.02879	48.2
91.03929	2.4
91.05457	22.0
92.08963	3.9
93.07023	17.7
95.04942	25.7
95.08567	17.8
96.39182	1.9
97.02863	22.7
97.06471	7.5
99.04407	2.5
105.03364	2.9
105.06995	32.2
107.04932	8.5
107.08566	22.9
109.02827	2.7
109.06464	17.9
109.10158	2.8
111.04387	2.4
113.05982	1.7
113.06863	1.8
117.07001	11.9
119.08540	17.8
121.06456	11.0
121.10110	9.7
123.08040	20.0
125.05962	100.0
127.03851	8.6
129.06961	12.6
130.07733	1.8
131.08517	23.2
133.10068	9.6
135.08022	23.2
135.11699	2.5
137.05931	7.8
141.06960	3.5
142.07779	3.0
143.08524	27.3
145.04942	11.9
145.06407	2.2
145.10115	19.3
147.11674	7.8
153.05438	37.6
155.07140	5.2
155.08522	14.0
157.10088	23.7
159.07959	2.7
159.11674	21.8
161.09595	2.6
163.11104	2.9
165.12711	20.5
167.07025	3.8
167.08463	3.9
168.09436	2.8
169.10075	11.4
170.10825	2.4
171.11659	9.3
173.13211	8.2
175.07497	9.1
176.12000	2.0
181.10011	9.3
183.11632	12.3
185.13226	10.6
187.07507	4.4
187.11133	2.1
187.14731	14.0
191.14262	42.1
193.10066	2.6
195.11600	3.2
197.13232	7.7
199.11035	3.7
199.14795	19.7
201.16362	2.5
207.11618	2.9
209.13203	4.1
211.14856	2.9
213.16354	8.3
217.08466	2.7
217.15834	9.3
221.13231	4.3
223.14777	2.0
227.10553	2.7
227.18002	2.7
233.13231	4.0
235.14874	3.1
275.17993	2.5
277.15549	2.4
279.13730	3.1
293.15448	2.8
295.16696	1.9
307.20490	4.3
312.91608	1.9
317.18835	3.2
325.21573	2.8
335.20068	25.5
353.21072	43.5
371.21606	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	371.2211
Annotation	Guayulin D
Peak:m/z	Relative Intensity
53.03916	1.6
55.05487	8.3
61.62527	1.4
64.60336	1.5
67.05491	17.7
69.03400	1.9
69.07030	7.3
69.89926	1.3
76.56132	1.6
79.05488	24.1
81.03385	3.4
81.07034	39.5
83.08573	3.5
91.05455	23.7
92.08698	4.2
92.09302	6.6
93.07030	27.9
95.04935	10.7
95.08570	24.1
97.06514	2.3
99.14862	1.4
104.35135	1.5
105.03364	8.4
105.07008	44.6
107.04928	3.1
107.08567	21.9
108.81004	1.6
109.06506	3.5
109.10084	6.8
110.10854	1.5
116.06232	1.6
117.06985	17.6
119.08550	33.4
121.06474	3.2
121.10104	8.5
123.04379	6.4
125.05920	6.2
127.03836	2.4
128.06174	6.5
128.71367	1.6
129.06972	25.7
130.07782	2.4
131.08525	31.5
133.06468	2.8
133.10109	22.6
135.08052	2.0
135.11667	2.0
137.09642	1.9
137.19118	1.5
140.44025	1.6
141.06953	10.3
142.07759	10.9
143.08540	29.9
144.09349	2.9
145.10092	48.1
147.08052	2.4
147.11674	14.9
148.04265	1.9
153.05440	2.2
153.06856	2.4
155.08479	17.4
156.09344	2.9
157.06378	2.3
157.10115	27.2
159.08076	2.1
159.11650	36.6
161.13208	2.7
165.06921	2.9
166.07736	2.6
167.08525	11.0
168.09319	6.4
169.10075	16.3
170.10858	2.2
171.11646	36.3
173.13194	2.7
175.07477	2.0
179.08521	10.0
180.09306	2.8
181.10077	22.1
183.08020	2.3
183.11655	17.7
185.13208	24.1
187.14778	9.5
189.08971	2.5
193.10095	6.6
194.10896	2.7
195.11650	12.6
197.09607	3.2
197.13228	8.9
198.13960	2.1
199.14755	11.0
201.08965	2.2
201.12650	2.1
201.16359	1.9
205.10139	2.8
207.11681	11.6
209.09523	8.5
209.13142	6.3
211.11102	2.9
211.14685	2.4
212.15547	1.7
213.16357	2.8
218.10983	2.1
219.11510	2.3
221.13132	9.3
223.14754	2.1
225.08920	2.7
225.16312	1.9
227.10614	10.3
227.15625	3.5
227.17882	100.0
229.12131	2.2
232.12428	2.3
233.13203	3.8
235.11215	1.7
241.12059	2.2
245.18858	2.6
247.14799	3.9
249.16245	3.1
253.12167	7.5
255.13745	2.0
261.12592	3.0
261.16193	2.4
267.13782	6.2
275.17987	6.1
279.13672	3.7
289.19458	9.0
293.15302	3.5
293.18723	1.7
307.16919	2.2
307.20407	10.1
317.18842	6.6
325.21619	2.5
335.19983	29.4
353.21017	88.1
365.40659	2.5
371.22040	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	371.2213
Annotation	Guayulin D
Peak:m/z	Relative Intensity
53.03924	1.6
55.01870	1.1
55.05499	5.2
57.03430	1.1
58.20552	0.9
59.93382	0.9
65.03940	1.0
67.05491	13.5
67.22414	0.9
69.03404	5.5
69.07041	2.3
71.01351	0.9
78.81859	1.1
79.05472	22.7
81.03381	2.4
81.07037	21.1
82.07333	1.1
83.04958	1.4
83.08583	1.9
85.02879	7.8
86.18670	1.1
91.05447	33.8
93.07018	24.5
95.04939	8.7
95.08578	16.8
97.02853	4.8
97.06505	1.8
103.05429	1.1
105.03338	1.8
105.07011	36.6
107.04917	5.5
107.08568	26.3
109.06490	2.2
109.10139	6.4
115.05409	1.3
116.06233	1.9
117.06983	17.9
119.08547	30.1
119.09378	1.4
121.06482	2.3
121.10100	9.9
123.04420	2.1
123.08058	6.7
125.05955	12.2
127.03905	1.8
128.06213	5.0
129.06972	12.3
130.07767	2.1
131.08537	30.0
131.09460	2.1
133.06490	1.9
133.10092	17.7
135.08034	6.4
135.11671	2.4
137.05971	2.2
141.07004	4.9
142.07765	4.9
143.08533	17.8
144.09332	1.6
145.10088	27.5
147.08067	4.8
147.11630	15.2
149.05969	2.1
153.05478	4.4
154.07811	1.3
155.08504	8.8
156.05627	1.2
156.09323	2.4
157.10095	17.9
159.08049	2.2
159.11656	22.5
161.09525	1.2
161.13223	5.4
163.07544	1.5
163.11185	5.8
165.07024	1.6
165.12743	5.0
166.07681	1.8
167.07051	2.1
167.08530	5.2
168.09241	2.4
169.10107	7.9
171.08080	1.6
171.11630	10.9
173.09607	1.9
173.13219	7.5
175.07497	28.3
175.14755	16.5
177.09114	2.5
179.08505	2.1
181.10112	6.6
183.11650	5.6
184.12465	1.3
185.09502	1.4
185.13257	4.5
187.07520	2.6
187.14868	1.9
189.09131	2.5
191.14247	10.4
193.10133	4.3
195.11685	5.5
197.13263	4.2
199.14813	2.4
201.12704	2.0
205.10135	1.5
207.11720	5.0
209.13257	4.9
211.11177	1.6
211.14777	1.7
213.16359	2.3
218.10844	1.6
221.13275	2.0
227.10544	1.9
227.17813	10.1
231.65237	1.3
233.13327	1.6
235.14764	2.2
237.16539	1.5
241.12300	2.0
247.14708	1.4
249.16354	2.0
269.18921	1.4
275.18030	1.2
289.19510	2.6
317.18887	1.5
317.24820	1.3
323.20035	2.5
328.61832	1.3
335.20065	12.5
353.13870	1.6
353.21048	22.0
371.22086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2214
Annotation	Guayulin D
Peak:m/z	Relative Intensity
51.80736	1.7
53.03918	2.8
55.05491	8.6
58.93062	1.9
62.17305	1.9
67.05491	47.0
69.07036	4.4
79.05474	33.5
81.07039	33.9
82.80131	2.1
83.08604	2.9
91.05459	40.2
93.07022	37.4
95.04949	25.2
95.08597	23.3
97.06490	2.7
105.03375	39.2
105.07006	46.0
107.04933	3.7
107.08568	32.4
109.06497	4.4
109.10122	9.9
114.14012	2.0
117.07005	22.7
119.08566	38.6
120.46265	1.9
121.06462	15.9
121.10091	10.0
123.04380	11.9
123.08048	2.9
125.06005	14.5
128.06146	5.1
129.06956	9.6
131.08549	40.4
133.06445	3.9
133.10126	27.4
135.04346	3.6
135.08008	3.1
135.11646	10.4
141.06975	4.6
142.07735	8.7
143.08534	28.8
145.10115	26.9
147.08031	7.4
147.11664	21.1
149.13341	3.1
153.05411	3.4
155.08519	19.6
157.10071	24.6
159.08037	4.7
159.11652	26.6
161.09673	2.4
161.13219	14.3
163.07533	4.0
165.06903	2.4
167.08545	8.1
168.09261	2.4
169.10036	16.6
171.11659	14.9
173.13234	14.2
175.07513	12.6
175.14769	23.3
177.74040	2.0
179.07007	3.3
181.10040	12.7
182.10902	3.5
183.11613	15.0
185.09673	3.6
185.13231	9.4
187.14796	7.6
189.09077	10.5
189.12778	2.2
191.14235	2.7
193.10088	4.3
194.10878	2.4
195.11697	14.8
197.09708	3.0
197.13159	13.2
199.11150	3.7
199.14795	5.2
201.16272	3.9
207.11754	3.6
209.13197	4.6
211.11099	3.6
211.14755	9.5
213.12589	2.0
215.14372	11.3
221.13144	5.0
223.14719	2.7
225.09111	3.6
227.10590	11.8
230.16631	4.4
233.13171	3.2
235.14677	5.0
237.16397	3.0
239.10614	3.5
241.12199	3.7
249.16449	3.6
251.17847	4.8
253.12074	4.3
265.12241	2.9
265.19293	2.6
275.17783	4.1
279.13602	3.8
279.21069	3.6
289.19492	9.4
291.21082	3.4
307.20480	17.1
311.20007	3.0
317.18848	2.8
325.21573	4.7
335.19983	100.0
353.16788	3.7
353.21042	75.8
371.22073	54.7
371.26553	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	371.2212
Annotation	Lehualide F
Peak:m/z	Relative Intensity
53.03934	0.3
55.05493	1.6
64.33430	0.4
65.03915	0.4
67.05489	5.0
69.07040	1.5
70.04967	0.3
79.05474	10.0
81.06593	0.5
81.07036	8.4
83.08577	0.5
91.05459	10.0
93.07015	13.1
95.04941	0.7
95.08588	6.7
103.05458	0.3
105.04487	0.3
105.07008	13.3
107.04935	0.4
107.07860	0.6
107.08575	15.7
109.06499	1.3
109.10136	2.5
115.05418	0.6
117.06997	4.2
119.04933	0.3
119.08562	9.4
121.06467	1.5
121.10117	6.1
123.07999	0.6
128.06216	1.2
129.06985	4.2
130.07756	0.6
131.08537	10.3
133.06439	1.5
133.10089	5.2
135.04388	0.4
135.08037	1.5
135.11694	2.6
141.06949	2.3
142.07736	1.4
143.08527	7.3
144.09254	0.4
145.06465	0.7
145.10098	9.4
147.08037	1.8
147.11670	5.1
149.06035	0.6
149.09634	0.5
149.13228	0.4
151.07555	0.5
155.08510	3.2
156.09286	1.2
157.06506	0.6
157.10100	6.0
159.08052	2.1
159.11635	6.4
161.09610	0.5
161.13234	3.8
163.07535	1.6
165.07002	0.3
165.09027	0.4
166.07813	0.3
167.08463	1.0
168.09294	0.6
169.10095	4.2
171.08047	0.7
171.11642	4.6
173.09581	1.5
173.13217	3.9
175.07529	0.6
175.14767	1.1
177.09050	1.8
181.10146	1.1
183.08026	1.1
183.11687	3.4
185.09590	1.5
185.13232	3.4
187.07544	0.7
187.11111	1.4
187.14790	0.4
189.09071	2.1
191.10616	2.2
193.10013	0.4
195.11679	1.5
197.09604	0.7
197.13232	2.4
199.11124	1.8
199.14812	1.7
201.09119	1.4
201.12653	0.5
201.16469	0.5
203.10632	2.2
205.11969	0.3
207.11754	0.4
209.09351	0.4
209.13261	1.7
211.11255	0.5
211.14813	0.5
213.08965	0.5
213.12730	0.4
213.16273	0.6
215.10660	2.6
217.12224	1.5
219.11658	0.4
223.14816	1.2
225.12688	0.4
227.10622	0.6
229.12184	1.1
231.13808	0.4
237.16438	0.7
243.13896	0.4
249.16327	0.3
251.14244	0.3
251.17673	0.4
255.13724	0.5
265.19492	1.3
269.15375	0.6
279.20959	1.5
307.20529	1.5
325.21487	2.1
335.19980	0.4
343.22656	0.5
353.21011	1.0
371.22079	100.0
372.22446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2212
Annotation	Guayulin D
Peak:m/z	Relative Intensity
55.05497	4.6
57.84004	2.0
67.05481	13.5
79.05473	14.9
81.07033	18.6
91.05449	25.0
92.71680	2.4
93.07028	19.7
95.04931	3.1
95.08579	18.7
105.03364	5.6
105.07012	26.7
107.04914	2.5
107.08578	18.4
109.06496	2.5
109.10118	3.9
117.07005	10.1
119.08540	21.4
121.10098	3.4
129.06993	3.5
131.08548	20.9
133.10100	11.7
135.08089	2.6
135.11658	3.9
143.08566	12.0
145.06413	3.1
145.10112	10.8
147.11615	4.9
157.10115	10.6
159.11687	11.9
169.10075	4.2
171.11659	3.2
173.13252	3.9
175.07503	29.8
175.14755	16.5
181.10098	3.1
189.09149	2.5
241.12071	2.8
261.40482	2.5
289.19647	4.4
335.19952	17.4
353.20938	12.4
371.22073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2213
Annotation	Guayulin D
Peak:m/z	Relative Intensity
52.67566	1.7
53.03942	2.1
55.05498	1.9
65.03919	2.1
67.05490	31.3
69.07043	2.5
79.05478	20.9
81.07039	23.9
83.08586	2.6
91.05453	23.4
93.07024	18.8
94.21476	1.9
95.04935	16.7
95.08584	13.4
105.03365	29.0
105.07008	37.6
107.04967	1.9
107.08559	17.3
109.06458	1.9
117.07005	10.9
119.08553	23.3
121.06451	7.5
121.10130	3.9
123.04298	6.1
126.67551	1.7
128.06221	4.5
129.06972	9.1
131.08546	25.3
133.06429	2.8
133.10078	12.9
135.08028	2.5
142.07811	2.3
143.08522	14.2
144.09288	3.2
145.06390	2.8
145.10129	25.8
147.07990	4.5
147.11639	9.1
155.08508	9.7
156.09135	2.3
157.10043	12.9
159.11661	30.7
163.07433	2.1
167.08495	3.2
169.10062	10.8
171.11691	12.7
173.13179	3.7
175.07561	4.4
175.14812	8.4
179.08679	2.5
181.10057	3.8
183.11639	4.3
183.85823	1.8
185.13147	3.7
187.14824	3.1
189.09175	3.2
195.11594	3.8
197.13210	3.8
199.14711	2.3
201.16342	6.9
207.11658	3.3
209.13272	3.5
211.11143	2.6
211.14813	2.3
220.71754	1.7
221.05194	2.1
221.13219	3.3
222.81700	2.1
227.10599	2.3
227.17900	7.8
233.13280	2.3
247.14728	3.0
249.16183	2.7
253.12082	3.6
289.19455	4.1
307.20511	2.3
335.19998	26.0
353.21027	28.7
371.22076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
54.81521	0.5
55.01867	1.1
55.05510	3.9
57.03415	2.5
57.07062	1.2
59.04978	1.2
61.02911	1.4
65.03908	0.8
67.05489	7.1
68.05814	1.1
69.03419	10.5
69.07055	4.7
70.06583	0.9
71.04988	5.0
72.08131	1.0
72.52262	0.6
74.25932	0.5
79.05450	4.5
79.82152	0.6
81.03388	3.0
81.07034	7.5
83.04951	7.1
83.08606	4.3
84.05276	1.1
85.02881	12.1
85.06511	2.9
86.09750	0.5
87.04438	0.6
91.05453	2.9
93.03380	1.3
93.07029	11.4
95.04946	100.0
95.08575	3.4
96.05296	1.3
97.02867	4.5
97.06509	0.8
99.04433	15.7
101.03503	1.1
103.05409	0.8
105.03358	2.3
105.06998	4.5
106.03739	0.8
107.04923	5.6
107.08576	13.7
108.05261	2.9
109.02851	1.3
109.06514	5.4
109.10137	8.2
110.10476	1.3
111.04430	4.4
111.08051	3.2
112.04733	2.1
117.06967	0.7
119.08544	3.5
121.10123	19.4
123.04381	1.1
123.07949	0.6
123.11676	2.3
125.09592	2.5
127.03890	3.2
127.07585	0.6
127.11166	0.9
128.11504	0.7
129.05463	0.8
130.08696	0.7
131.08548	2.4
133.02811	5.9
133.10112	8.3
134.03157	6.2
135.08023	3.1
135.11667	3.6
137.09525	0.7
137.53502	0.5
139.03908	0.9
143.08548	1.0
144.55058	0.6
145.10133	1.2
147.04410	1.0
149.09529	1.2
149.13216	3.1
151.03865	3.3
151.07477	0.9
151.11066	0.6
152.04193	2.3
153.09096	19.9
157.04950	0.9
161.02327	1.3
161.09517	0.6
162.02643	3.5
163.03882	0.9
163.14793	4.5
167.07033	4.0
167.14252	2.4
173.13202	5.2
175.14833	0.6
179.03355	8.8
180.03683	11.5
191.14281	9.4
209.15335	24.1
327.13480	0.7
339.11981	0.7
371.10788	3.1
371.20532	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26416	0.5
54.86444	0.5
55.05500	1.5
58.37762	0.5
67.05492	1.3
69.03411	4.3
79.05483	1.4
81.07030	8.3
83.08648	0.9
85.02872	1.5
91.05450	5.2
93.06987	1.5
95.08578	1.4
105.07010	6.9
107.04926	1.0
107.08582	18.3
109.06504	6.3
109.10126	8.1
115.05440	1.0
117.07022	2.9
119.06028	0.7
119.08562	3.2
121.10129	13.1
122.07249	7.6
131.08551	1.4
133.10100	100.0
134.10431	0.9
135.08017	10.4
137.09593	75.4
147.11652	0.9
149.13251	9.5
158.10925	0.8
160.35664	0.7
163.14766	0.8
173.13255	5.0
191.14273	21.6
209.15317	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
57.03410	0.4
58.17220	0.5
59.25663	0.4
61.02913	1.0
62.39618	0.4
62.48295	0.5
64.10045	0.5
64.33521	0.7
67.05505	1.2
69.03422	5.2
69.07047	3.0
70.91503	0.6
72.93671	0.5
79.05457	3.7
81.07041	8.7
83.08567	0.9
85.02880	1.1
89.62254	0.6
91.05451	5.6
92.08660	3.0
92.09329	2.8
93.07044	2.8
95.04927	0.7
95.08577	1.1
102.22470	0.5
105.07028	7.3
107.04968	0.7
107.08580	18.8
109.06512	7.0
109.10126	7.8
109.85280	0.5
115.05443	2.1
116.34906	0.6
117.07009	3.6
119.08567	2.6
121.06471	0.7
121.10120	15.4
122.07263	6.3
123.08001	2.1
131.08493	1.7
133.10107	100.0
135.08022	14.5
135.11610	0.6
137.09595	64.6
143.08508	0.6
145.10132	0.8
146.20668	0.6
147.11636	1.2
149.13246	9.7
157.17392	0.5
158.10902	1.1
163.14813	2.2
167.49893	0.5
168.25053	0.5
173.13222	3.9
191.14270	20.0
209.15329	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	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03949	4.0
54.81857	2.1
55.01872	3.4
55.05500	18.9
57.03434	12.1
57.07071	12.9
59.04994	7.1
61.02902	4.2
67.05486	16.1
69.03416	40.8
69.07052	26.5
71.04978	7.5
75.39413	1.7
79.05480	19.2
79.40965	1.8
81.03395	21.1
81.07036	46.5
83.01320	1.8
83.04958	32.1
83.08613	26.4
85.02887	54.8
85.03365	3.3
85.06539	12.6
86.06845	1.7
87.04482	2.3
91.05434	13.0
93.07021	54.6
95.04944	24.4
95.08585	20.6
97.02872	24.3
97.06514	9.5
99.04448	11.4
103.03951	1.8
103.05428	1.8
105.07021	23.9
107.04924	10.0
107.08572	59.4
109.02874	32.7
109.06493	38.7
109.10139	29.6
111.04473	5.2
111.08059	6.9
113.06008	2.1
113.09643	2.8
115.03912	2.6
117.06987	3.0
119.08550	20.9
121.06506	2.9
121.09251	3.7
121.10120	100.0
121.10976	3.6
123.08046	11.1
123.11679	16.9
125.09630	8.8
127.03883	28.7
127.07566	1.7
129.06935	2.2
131.08543	16.9
133.02824	12.3
133.10097	43.1
134.03180	7.6
135.08040	14.3
135.11690	12.6
137.06007	2.2
139.11191	7.3
145.02806	2.0
145.04942	7.6
145.10130	13.3
147.11670	7.3
149.09618	3.3
149.13223	20.8
151.03877	3.5
151.07494	2.5
151.11229	3.9
153.09056	3.4
158.10919	2.4
159.11678	2.2
161.02307	2.5
162.02730	2.5
163.14821	18.7
167.07004	8.2
167.08594	1.9
167.14261	15.3
169.12170	2.8
173.13216	19.0
179.03400	14.1
180.03648	16.4
191.14229	33.9
193.04956	13.6
197.01254	1.8
205.06990	3.4
209.15306	38.8
219.76379	1.8
239.46646	1.7
239.79338	1.8
353.19684	7.2
371.20670	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
54.81857	2.1
55.01872	3.4
55.05500	18.9
57.03434	12.1
57.07071	12.9
59.04994	7.1
61.02902	4.2
67.05486	16.1
69.03416	40.8
69.07052	26.5
71.04978	7.5
75.39413	1.7
79.05480	19.2
79.40965	1.8
81.03395	21.1
81.07036	46.5
83.01320	1.8
83.04958	32.1
83.08613	26.4
85.02887	54.8
85.03365	3.3
85.06539	12.6
86.06845	1.7
87.04482	2.3
91.05434	13.0
93.07021	54.6
95.04944	24.4
95.08585	20.6
97.02872	24.3
97.06514	9.5
99.04448	11.4
103.03951	1.8
103.05428	1.8
105.07021	23.9
107.04924	10.0
107.08572	59.4
109.02874	32.7
109.06493	38.7
109.10139	29.6
111.04473	5.2
111.08059	6.9
113.06008	2.1
113.09643	2.8
115.03912	2.6
117.06987	3.0
119.08550	20.9
121.06506	2.9
121.09251	3.7
121.10120	100.0
121.10976	3.6
123.08046	11.1
123.11679	16.9
125.09630	8.8
127.03883	28.7
127.07566	1.7
129.06935	2.2
131.08543	16.9
133.02824	12.3
133.10097	43.1
134.03180	7.6
135.08040	14.3
135.11690	12.6
137.06007	2.2
139.11191	7.3
145.02806	2.0
145.04942	7.6
145.10130	13.3
147.11670	7.3
149.09618	3.3
149.13223	20.8
151.03877	3.5
151.07494	2.5
151.11229	3.9
153.09056	3.4
158.10919	2.4
159.11678	2.2
161.02307	2.5
162.02730	2.5
163.14821	18.7
167.07004	8.2
167.08594	1.9
167.14261	15.3
169.12170	2.8
173.13216	19.0
179.03400	14.1
180.03648	16.4
191.14229	33.9
193.04956	13.6
197.01254	1.8
205.06990	3.4
209.15306	38.8
219.76379	1.8
239.46646	1.7
239.79338	1.8
353.19684	7.2
371.20670	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	371.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21640	0.7
55.01858	1.8
56.46443	0.7
57.03432	18.6
59.04978	7.1
61.02921	7.0
69.03412	44.8
73.02887	3.2
75.04444	1.4
81.03398	5.1
85.02887	100.0
87.04449	23.2
89.39568	0.7
91.03941	5.3
94.06547	1.2
97.02869	40.8
99.04436	3.7
109.02868	7.3
112.65980	0.9
115.03902	23.3
115.35782	0.9
122.05983	1.2
127.03888	16.6
133.04947	22.0
145.04936	23.6
150.05490	24.5
163.05974	11.9
205.40721	0.8
209.09189	4.0
239.11186	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	371.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.8
55.01840	0.9
55.05493	2.7
58.54214	0.7
64.13470	0.7
67.05472	4.4
69.03402	1.6
69.07031	1.4
71.67924	0.7
74.34043	0.8
77.71054	0.7
78.04691	3.0
79.05466	16.5
81.03384	0.7
81.07040	8.8
83.04878	0.7
83.08588	1.0
85.02869	0.7
90.15460	0.7
91.05449	13.7
93.07017	7.9
95.04950	5.9
95.08592	4.0
103.05434	5.1
105.03343	0.8
105.07005	22.9
105.11951	0.7
106.04150	2.8
107.04930	16.3
107.08565	6.5
109.10117	1.2
115.05412	7.2
116.06184	0.9
116.47215	0.7
117.06997	3.5
118.04124	1.1
119.04931	1.3
119.08539	8.4
121.06452	3.6
121.10101	3.4
122.03675	0.7
123.04387	10.1
123.11659	0.7
124.05183	6.8
125.05966	1.7
128.06172	5.3
129.06966	16.0
130.04128	1.2
131.04886	4.9
131.08559	7.6
132.05675	5.2
133.06477	7.8
133.10071	4.6
134.03568	1.1
135.11697	1.4
137.05933	3.9
140.04665	0.7
141.06931	1.4
143.08534	3.0
144.05663	3.5
145.06459	1.8
145.10077	3.5
147.04330	1.0
147.07983	3.8
147.11638	3.3
149.05963	1.1
149.09605	1.0
149.13155	1.1
151.03853	1.3
152.04625	5.2
155.04893	1.2
155.08479	0.8
156.05664	1.4
157.10114	2.9
159.08022	8.6
159.11662	1.4
160.05121	1.5
161.05927	9.4
161.09581	1.6
165.06967	1.2
166.62424	0.7
167.06993	100.0
169.06461	1.0
171.08014	1.4
172.05150	4.7
173.13300	1.0
175.07507	20.6
175.14705	1.3
176.04706	1.0
177.09042	0.7
178.07738	3.7
179.07022	1.3
183.11739	1.0
184.05147	1.5
187.07512	23.2
189.06931	3.8
189.09013	2.9
190.07719	6.3
191.06961	4.3
191.08495	1.7
193.09982	1.0
199.07468	7.8
202.07695	3.8
203.08603	5.5
205.06415	1.4
206.07178	5.2
207.08116	2.6
209.15237	1.0
215.08545	3.2
217.08522	1.3
218.07219	7.2
219.07999	4.4
220.08658	1.4
221.09552	6.5
222.54228	0.8
223.07402	1.4
229.26172	0.9
231.08003	4.6
232.08702	1.6
233.09581	5.8
234.06705	4.4
235.07504	4.5
237.09137	1.1
243.08043	1.6
246.06596	1.5
247.07422	4.4
248.08301	1.3
249.09021	8.1
250.09819	0.8
251.06900	3.6
259.07559	1.3
260.08240	3.1
261.09079	5.8
263.06927	3.5
265.08435	1.4
266.09235	1.3
275.07043	1.1
276.07803	1.0
277.08466	5.0
278.09143	1.4
279.06567	1.3
281.11606	10.6
289.08530	5.1
290.09595	0.8
291.10040	1.1
293.08405	0.8
293.11609	1.8
294.08835	1.3
306.08823	1.1
307.09555	1.7
309.11115	8.5
311.09152	0.8
321.11108	5.1
326.11450	3.2
341.13712	12.6
353.13721	3.8
353.20834	1.1
371.21997	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	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
53.03921	0.7
53.59987	0.6
55.01841	0.6
55.05500	1.0
56.31821	0.6
57.03431	14.2
57.07066	100.0
57.84683	0.8
59.04992	5.5
61.02918	1.5
64.25253	0.7
65.03905	0.8
67.05495	5.3
69.03419	7.1
70.06596	0.6
71.01324	2.8
71.04975	1.3
72.45818	0.6
73.02909	4.8
75.04475	0.8
77.03886	1.8
81.03409	2.5
83.04959	5.7
85.02898	18.3
85.06528	98.2
87.04465	7.6
93.03387	1.3
93.07051	0.7
95.01310	8.3
95.04939	9.6
95.08577	3.0
97.02875	7.6
98.97562	1.3
99.04451	1.0
99.08085	0.8
99.27512	0.6
103.03946	0.7
103.07568	19.5
105.03368	6.4
105.05476	2.7
106.54589	0.7
107.04955	6.3
109.02881	1.2
109.10138	2.7
111.04420	12.2
111.08062	1.2
113.02347	3.8
113.09624	1.5
116.98592	1.7
117.03356	0.8
119.04925	3.3
119.08578	0.9
123.04404	5.4
127.03909	4.0
129.05443	4.0
131.03375	1.3
133.02821	18.6
137.09578	1.6
139.03876	4.1
141.01790	9.1
145.02814	1.2
145.04945	2.5
147.04393	23.2
148.66066	0.7
151.03870	4.2
153.05379	0.7
155.10655	3.9
157.04953	1.7
159.02899	0.8
159.10138	85.2
161.02324	4.7
163.03900	3.0
164.07201	0.7
175.06055	2.5
177.05391	1.2
177.11182	36.2
179.03349	18.5
179.04800	1.1
189.21184	0.7
194.69208	0.8
201.11417	1.0
208.09633	3.1
231.08604	1.2
243.74385	0.8
335.07458	1.0
335.13409	4.0
353.08771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.8
53.03940	24.2
55.01862	9.9
55.05268	2.3
55.05508	42.6
56.58687	2.3
56.67535	2.5
56.94180	2.2
57.03428	10.7
57.07066	8.4
63.14434	2.0
63.71970	1.8
65.01098	2.1
67.05495	86.3
69.03419	2.2
69.07054	55.1
71.08620	4.6
79.05479	50.6
81.03400	100.0
81.07038	78.8
83.04971	23.0
83.08605	16.9
85.06576	2.5
90.27020	2.1
91.05470	33.2
93.07034	61.4
95.04948	56.5
95.08581	28.5
97.06491	4.0
97.10159	4.3
100.99582	2.0
105.07029	37.5
107.08575	39.7
109.06511	11.3
109.10149	21.2
117.06976	4.3
118.21735	2.2
119.08569	26.1
121.06501	2.8
121.10137	14.2
123.11697	4.9
125.09602	8.9
131.08566	3.2
133.10086	20.9
134.92133	2.1
135.07971	3.3
135.11685	11.7
143.08591	3.8
145.10132	4.2
147.11661	18.2
149.09552	3.2
149.13235	4.4
151.11148	41.6
157.10124	4.4
157.64793	2.3
161.13264	18.0
163.14763	2.9
165.12724	15.0
171.11624	4.5
175.14864	4.2
179.14247	2.7
221.15361	2.8
231.21112	3.3
259.20557	5.3
277.21573	90.4
351.25238	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2057
Annotation	Nimbothalin
Peak:m/z	Relative Intensity
55.05496	9.8
56.05029	1.5
63.47536	1.7
64.57418	1.7
67.05482	15.8
69.07051	3.2
76.56200	2.0
78.42751	1.7
79.05472	20.5
81.07035	14.8
83.04983	2.3
85.33736	1.7
91.05460	24.0
93.07027	20.8
95.04941	3.2
95.08575	16.3
98.97569	2.1
105.07001	27.3
107.04935	3.3
107.08582	16.9
109.06506	2.4
109.10149	3.0
116.98549	2.2
117.06998	14.8
119.08562	13.9
121.06477	2.6
121.10087	3.0
123.08040	2.1
125.05965	3.5
128.06177	4.1
129.07016	15.9
131.08517	15.7
133.10104	11.9
135.11674	2.6
141.06975	10.7
142.07770	6.8
143.08534	22.7
143.71565	2.3
144.09349	3.5
145.06409	4.1
145.10089	20.1
147.11757	1.9
149.13229	2.2
153.06999	9.0
154.07751	10.1
155.08556	23.8
156.09276	3.5
157.10106	16.4
159.11633	15.7
161.01228	2.1
161.13240	2.7
165.06946	12.2
166.07701	4.5
167.08539	14.4
168.09311	10.2
169.10071	24.6
170.10966	2.0
171.08014	2.4
171.11652	11.8
173.05980	3.8
173.09566	2.0
178.07695	2.5
179.08560	16.8
181.10077	27.2
183.08035	2.3
183.11652	24.2
185.09570	2.4
185.13237	11.4
187.14713	3.9
191.08617	2.6
192.09343	2.2
193.10097	15.8
195.08035	7.4
195.11636	14.7
196.16962	20.3
197.09575	12.9
197.13242	12.1
199.11171	8.3
205.10112	10.1
206.10849	3.1
207.11700	10.9
209.09578	11.8
209.13174	14.0
211.11157	14.2
211.14815	3.3
213.19600	11.1
215.10721	2.2
216.09242	2.8
218.10925	3.5
219.11687	9.7
221.13213	14.2
223.11168	7.8
223.14798	2.0
225.09100	19.2
225.12648	6.6
227.10597	3.2
231.11674	3.8
233.13304	2.6
235.11095	3.2
235.14807	9.9
237.09006	2.4
237.16339	4.2
239.10606	11.6
241.12221	3.7
247.14803	8.1
249.12720	4.1
249.16374	4.3
251.10573	4.2
251.13907	2.1
251.18008	2.9
252.11337	2.0
253.12196	6.4
259.14780	3.4
261.16315	25.2
262.17191	1.9
263.14255	3.0
269.11810	2.2
270.82330	2.0
273.16113	3.7
277.19504	6.9
281.15411	2.6
287.17923	2.8
290.16605	8.1
293.15222	3.3
305.15665	2.9
305.18860	21.6
307.20551	2.2
315.17398	3.7
318.16125	8.7
323.20096	9.5
333.18405	38.7
336.16980	3.2
351.19479	78.6
369.20505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2056
Annotation	Nimbothalin
Peak:m/z	Relative Intensity
55.05502	15.7
57.33207	7.6
67.05496	63.7
69.03419	11.9
69.07037	18.1
71.45707	9.9
79.05465	48.6
81.07034	51.5
87.34054	7.5
91.05467	62.9
93.07024	40.7
95.04942	19.2
95.08588	47.9
101.05996	12.6
103.05437	10.9
105.07028	77.4
107.08546	73.8
109.06510	9.1
109.10143	34.1
117.06995	35.7
119.08576	34.4
128.06165	10.6
129.06966	20.1
131.08563	20.8
133.06476	20.3
133.10133	12.4
135.11656	10.0
141.06989	12.8
143.08546	40.3
147.11693	14.4
149.13223	14.3
154.12265	13.0
155.08549	20.3
157.10101	21.3
159.11649	18.6
167.08539	12.8
169.06386	9.7
169.10104	19.7
171.11603	14.2
179.08517	9.0
181.10071	19.6
183.11696	21.3
188.56476	9.6
189.05484	35.1
193.10194	11.2
195.08028	12.8
197.09538	38.4
227.10667	10.9
241.08606	12.1
243.10017	10.0
305.18997	12.9
323.20023	19.6
333.18430	16.4
341.20926	13.2
351.19400	72.5
369.20389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01880	1.2
55.05514	4.8
57.03439	1.0
57.07042	0.8
58.20853	0.7
59.92820	0.6
61.02909	2.9
65.03908	0.9
67.05494	1.1
69.03423	14.6
69.07049	1.7
76.61971	0.6
79.05470	11.4
81.03395	3.0
81.07028	2.9
83.04973	6.3
85.02412	1.1
85.02891	18.7
91.05465	5.6
92.08668	2.4
93.07020	3.3
93.60251	0.6
95.04942	3.2
95.08591	1.0
97.02863	4.6
97.06521	0.8
103.05441	4.3
105.07015	12.2
105.94627	0.6
107.08567	10.0
109.02857	1.1
109.06520	1.1
117.07061	0.9
119.08572	8.2
121.06483	17.5
121.10114	5.9
123.08046	4.8
127.03908	2.7
129.06976	1.1
131.08554	5.1
131.86568	0.8
133.06465	100.0
133.10091	4.7
135.08038	10.5
135.11539	0.7
143.08501	1.0
145.04913	1.7
145.06450	0.9
145.10107	1.6
147.08044	4.7
147.11674	4.5
148.08794	0.9
149.09662	2.3
149.13141	0.8
151.07544	1.0
158.10873	2.7
159.08018	4.2
160.08807	1.5
161.09555	5.6
161.13248	1.0
163.11145	21.2
173.13190	5.2
174.10356	3.5
183.35664	0.9
189.12712	25.4
191.14268	31.2
207.13760	25.0
250.90559	0.8
344.95978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01865	1.9
55.05499	2.2
57.03141	1.1
57.03424	30.6
59.04971	4.0
61.02913	6.0
65.93857	1.0
67.05502	4.3
69.03415	84.3
69.07040	2.1
71.04975	2.4
73.02875	1.8
75.04449	2.5
78.97775	1.0
79.05480	1.5
81.03389	7.6
81.07041	1.8
83.04964	2.1
85.02887	100.0
86.03216	1.1
87.04444	38.7
91.05446	1.3
93.07002	2.0
95.04936	1.7
97.02868	58.2
97.06493	1.3
98.09657	8.0
99.04436	2.5
103.03867	1.2
105.03387	1.5
107.08601	1.7
109.02850	6.5
109.10126	1.5
111.04419	2.5
111.80015	1.1
115.03145	2.0
115.03905	36.8
119.04923	1.9
123.04438	1.2
127.03880	14.2
133.02841	2.0
133.04932	38.4
137.05936	1.5
145.04930	15.7
147.04413	2.1
151.03830	1.4
162.05499	2.1
163.06020	2.6
185.27533	1.1
207.06361	1.5
208.06041	2.5
216.12505	1.3
228.99628	1.5
270.32098	1.2
277.09241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03431	7.3
61.02911	0.6
64.85738	0.2
65.03926	0.5
67.01865	0.3
67.05499	0.3
68.99785	0.3
69.03407	2.1
71.01339	7.6
71.04987	0.5
73.02900	10.7
74.37891	0.2
74.69598	0.2
75.04458	1.7
81.03420	0.3
83.01338	1.3
83.04960	0.5
85.02892	18.1
91.05463	100.0
92.09245	0.4
95.01313	4.7
95.04954	0.3
95.08577	0.4
97.02872	4.4
99.00811	2.4
99.04452	0.6
101.02360	2.9
103.03909	1.2
113.02336	7.4
117.03300	0.3
119.04926	0.6
123.00773	0.4
131.03386	2.9
137.05971	3.0
141.01814	6.0
145.02827	0.5
145.04985	0.5
147.04404	0.4
149.05931	0.3
158.05779	0.3
159.02895	1.7
159.06593	0.4
169.05002	1.0
169.23743	0.2
169.56447	0.3
175.03900	1.2
177.05388	0.4
184.22624	0.3
187.05925	0.4
193.08560	12.7
197.04457	0.4
207.06532	0.5
215.05531	1.7
235.09537	2.2
277.10760	0.4
333.09567	0.4
341.66531	0.3
351.10715	1.3
369.11664	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1178
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
53.17112	0.2
53.65575	0.2
54.81927	0.2
55.05498	0.4
57.03431	0.5
59.11820	0.2
63.02367	0.4
64.33737	0.3
67.05501	0.5
69.03430	0.4
72.81805	0.3
79.54189	0.3
81.07070	0.4
83.04965	1.3
85.02878	0.6
87.03849	0.3
89.03893	10.4
91.05460	1.1
92.09338	0.3
93.06998	0.3
95.04903	0.3
103.05480	0.3
106.04169	0.6
109.10069	0.3
111.04459	0.5
117.03354	43.6
119.04881	0.3
119.08538	0.4
121.06438	0.3
127.11165	0.3
134.03572	2.7
135.04398	2.8
145.02823	92.3
149.05952	15.3
162.03038	0.3
163.03859	1.4
169.61803	0.3
171.13716	1.0
177.05428	100.0
178.05782	0.6
186.05519	0.3
195.06639	0.2
341.17609	0.3
351.10693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
53.07370	0.2
53.80172	0.2
55.01855	0.5
55.05500	0.3
57.03416	1.3
59.04975	0.2
61.02906	1.6
62.42853	0.2
67.05480	0.2
69.03408	4.3
69.07049	0.4
71.04967	0.9
73.02895	0.4
79.05462	1.2
81.03392	1.4
81.07030	0.4
82.26949	0.2
83.01328	0.4
83.04965	3.0
85.02885	8.3
87.04427	0.4
93.07030	0.3
95.04951	0.4
96.20095	0.2
97.02868	2.8
97.06495	0.9
99.04420	0.5
105.03368	1.1
107.04900	0.9
107.08559	0.2
109.02854	1.0
109.06484	0.3
111.04417	17.0
111.08067	0.3
123.20863	0.2
125.05960	0.5
125.09587	0.3
127.03855	1.8
132.04419	10.3
135.04385	1.2
145.04909	0.9
147.06467	0.2
153.05443	1.5
153.09090	1.0
160.03917	0.3
171.06470	9.7
171.07875	0.4
171.10107	1.0
178.04947	100.0
179.05293	0.3
181.55783	0.2
189.07521	2.5
189.11140	0.3
206.04440	95.1
207.04681	0.3
357.22388	0.2
368.09738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71502	1.9
51.76383	2.3
52.74668	2.8
53.03937	4.6
53.94990	2.1
55.01862	4.0
55.05499	20.7
57.07066	5.8
59.86001	2.3
67.05493	36.7
69.03439	3.2
69.07040	16.4
71.04975	4.5
79.05486	37.0
81.07036	49.3
83.04944	3.0
83.08610	4.6
83.31146	3.8
85.06528	3.5
90.34586	2.7
91.04939	5.0
91.05462	64.0
92.08648	8.9
93.07027	78.9
95.04940	30.9
95.08587	44.2
97.06529	4.4
105.07011	100.0
105.47742	2.9
107.08595	37.8
109.06496	15.6
109.10148	36.5
116.06262	3.6
117.06977	25.5
119.08567	75.9
121.10123	41.5
123.08003	3.7
123.11678	13.2
128.06227	17.2
129.06981	17.3
130.07765	5.3
131.08548	47.5
133.10100	51.4
135.08041	11.5
135.11679	4.3
141.06964	4.0
142.07840	21.6
143.08527	30.8
144.09360	14.4
145.06439	2.7
145.10091	51.5
146.07225	3.8
147.08008	4.7
147.11676	17.2
149.09612	5.7
155.08560	12.9
156.09311	12.1
157.10121	45.2
158.10846	3.8
159.11647	20.7
161.09651	22.6
163.51299	2.6
167.08565	5.6
169.10089	17.2
170.10973	4.7
171.11679	16.1
172.12358	4.3
173.09636	3.9
173.13257	19.4
179.08528	6.6
181.10112	12.4
182.10895	5.3
183.11635	15.6
185.13211	6.4
187.14777	12.3
194.10950	3.4
195.11653	5.5
196.12344	4.0
197.13162	5.4
199.14648	3.7
208.12607	3.0
209.13199	12.9
211.14777	3.7
217.27740	2.8
223.14804	2.9
227.14354	4.1
251.17682	3.0
269.18936	4.1
293.19031	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Betaenone A
Peak:m/z	Relative Intensity
55.05488	49.0
56.96568	12.2
57.03419	23.9
59.06112	20.5
60.78735	9.8
67.05481	46.2
69.07039	19.4
77.93269	10.9
79.05470	56.3
81.07024	73.9
83.04971	14.9
91.05447	69.0
92.09075	11.6
93.07017	69.0
95.04967	13.8
95.08591	97.2
97.06520	12.6
105.07001	100.0
107.08607	91.6
107.09238	15.7
109.10127	27.9
111.08055	11.5
117.07034	11.8
119.08570	65.5
121.10117	55.5
123.08026	17.2
123.11665	11.8
131.08551	22.3
133.10123	52.0
143.08531	23.3
145.10121	83.4
147.11572	22.4
155.08557	17.8
157.10062	22.6
159.11636	58.9
161.13202	15.1
171.11653	28.9
173.13217	16.0
175.14896	11.9
185.13181	16.5
187.11177	14.4
195.11717	13.0
197.13174	12.8
277.40341	12.0
295.20471	47.1
313.21606	59.3
331.22372	25.1
349.23572	69.4
367.20309	16.6
367.24463	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.8
55.05505	91.5
57.03418	26.9
63.63636	4.3
64.68664	4.1
67.05489	57.9
69.07043	24.4
71.08623	63.7
79.05473	48.5
81.07034	52.4
83.04963	7.8
83.08578	24.5
91.05461	24.0
93.07020	34.0
95.04961	11.2
95.08579	27.3
97.10138	28.2
99.08064	28.3
105.06991	10.1
105.56168	5.1
107.08584	28.8
109.10145	10.2
117.06996	11.1
121.06501	6.1
125.09592	25.1
129.01581	5.1
131.08527	6.7
133.10081	9.7
135.11624	6.2
139.11163	5.8
177.45053	5.1
189.11148	11.6
275.20029	12.5
282.31732	5.5
293.21017	100.0
367.24918	49.7
383.41641	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	367.2475
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
50.51702	2.1
53.05323	2.1
55.05506	19.7
57.07060	3.0
67.05497	25.9
69.07043	14.7
69.72995	2.4
79.05485	19.4
81.07030	34.6
83.08592	2.7
85.06539	7.0
91.05447	18.0
92.08870	6.7
93.07018	37.8
95.08586	36.7
97.06504	3.4
99.04439	3.8
101.05955	3.1
105.07024	47.7
107.08578	25.7
109.06478	4.2
109.10139	34.3
111.08063	6.3
117.06979	15.5
119.08559	40.8
121.06525	3.7
121.10100	21.4
129.06958	14.1
131.08546	34.8
133.10117	20.5
135.08037	4.8
135.11646	5.2
137.09596	15.2
141.06941	9.4
142.07750	5.4
143.08533	41.1
145.10085	45.4
147.07993	4.4
147.11656	18.9
155.08533	18.6
156.09328	13.7
157.10112	29.8
159.11685	44.6
161.09555	2.9
161.13155	5.2
169.10080	17.3
171.11655	64.8
173.09633	2.8
173.13222	30.0
175.14761	4.3
177.12766	3.2
181.10008	3.3
183.11592	22.2
185.13222	17.9
187.11118	3.6
187.14780	13.9
189.12697	6.9
195.11658	12.7
197.13229	46.9
199.11235	2.7
199.14807	26.7
201.12650	5.2
209.13272	13.5
211.14801	23.0
212.15607	3.8
213.12769	4.3
213.16330	6.1
215.14259	5.2
221.13242	14.6
223.14816	6.3
225.12799	4.4
225.16328	6.2
227.17986	4.1
237.16429	6.5
239.14334	4.1
239.17847	6.0
243.13808	2.9
251.17867	3.7
253.19456	70.3
267.17361	2.8
267.21042	12.2
269.18958	5.0
271.17950	3.0
271.20505	27.6
277.19534	21.5
287.20120	5.5
295.20456	49.7
313.21567	100.0
331.22659	62.4
349.23737	13.6
367.24948	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	367.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47411	0.4
50.67548	0.4
53.03925	0.7
55.05505	11.8
56.39306	0.5
57.07059	2.0
59.04977	0.9
62.45382	0.5
65.03929	0.4
65.15401	0.4
67.05492	41.0
69.03403	0.8
69.07046	1.2
69.97720	0.5
71.04961	2.2
73.06541	0.8
79.05472	3.8
81.07040	100.0
83.06876	0.4
83.08612	3.4
85.02882	2.1
85.06537	2.0
91.05450	0.5
92.08646	0.5
95.08596	6.5
95.45722	0.4
97.02850	0.6
97.06493	0.5
97.10154	4.5
99.08041	0.5
109.10143	0.9
123.11684	57.4
141.12718	29.3
142.14650	0.5
146.61075	0.5
159.13776	11.0
169.15898	0.6
185.59631	0.5
187.13300	2.6
205.14308	15.1
205.16098	0.7
210.74112	0.5
225.00093	0.5
300.58575	0.7
374.74780	0.5
389.41727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	46.7
58.17180	2.8
71.40453	3.0
75.68652	3.9
81.07030	18.8
92.49090	3.3
119.77530	3.8
128.98596	5.2
146.99651	4.8
155.18681	3.7
171.03242	4.2
185.04802	3.8
213.07935	16.3
217.07458	5.7
229.07365	5.6
231.09009	29.3
241.11162	4.6
243.08972	13.6
251.09531	6.1
255.08995	8.1
256.64572	3.6
257.10571	5.2
259.12112	5.3
269.10556	36.6
273.10181	4.1
287.11670	30.8
349.16730	20.2
367.17773	100.0
385.19128	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	367.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.4
57.03425	0.6
57.07066	2.0
59.04978	2.0
67.05489	43.7
69.03380	0.6
69.07054	2.6
71.04970	0.7
73.06551	0.4
77.65732	0.4
79.05481	3.2
80.17744	0.4
81.07036	100.0
83.08579	3.5
85.02883	2.9
85.06527	2.7
91.05460	0.6
93.07021	0.7
95.08571	5.1
97.02867	0.5
97.10154	3.7
109.10144	0.9
121.10083	0.4
123.11680	60.3
141.12721	29.4
150.05466	0.4
159.13759	13.6
187.13289	2.7
205.14305	14.7
244.57964	0.5
281.81131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58327	0.6
52.95914	0.5
55.05488	1.1
57.03423	3.6
57.07061	0.8
65.81224	0.5
67.05488	5.6
69.07049	1.5
70.02936	10.8
71.04972	3.9
74.02409	0.9
79.05460	2.9
81.07034	7.6
83.08607	0.8
85.02887	50.8
85.06542	1.1
88.03973	28.4
89.39302	0.7
93.07021	0.8
95.04939	1.3
95.08582	12.5
95.62995	0.6
97.92500	0.6
99.00726	0.7
101.26617	0.6
103.05443	1.0
105.07008	100.0
107.08585	1.5
109.10130	6.1
110.10416	0.8
114.09151	1.2
122.09640	47.1
130.04962	1.1
134.04526	0.8
136.03897	0.9
137.09543	4.8
138.09949	1.4
154.04956	3.6
155.10727	1.0
156.06589	2.7
158.04417	2.5
165.09030	0.8
166.09554	0.8
169.15797	1.6
182.04448	13.2
187.16917	0.8
188.10690	3.7
200.05475	13.6
205.17886	0.9
206.11731	42.0
228.04956	3.3
234.11122	5.5
239.97662	0.6
246.06021	3.2
331.22507	0.7
349.13843	10.4
367.14954	9.6
367.27026	0.9
379.52570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.3
55.05497	1.7
55.60379	1.1
57.05331	0.9
57.07065	56.9
58.55677	1.1
61.70101	0.9
63.84388	0.9
69.07049	1.5
71.08611	30.3
73.06539	2.8
77.07720	1.0
83.08590	1.8
85.10164	20.1
89.06010	100.0
89.41502	1.1
99.11723	1.8
107.07050	4.5
133.08578	23.9
140.70906	1.1
151.09634	2.4
169.48357	1.2
177.11220	7.4
195.12239	24.2
213.02963	1.4
217.18321	1.4
243.23164	1.6
349.29428	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17312	0.7
52.52207	0.7
53.36312	0.6
55.01854	0.7
55.05498	4.2
55.91440	0.7
56.36887	0.6
57.03423	3.4
57.07063	1.6
58.91958	0.7
61.02921	1.0
67.05488	29.5
69.03426	5.1
69.07042	7.8
71.04974	56.1
79.05472	6.7
81.07033	23.1
83.04960	3.6
85.02882	13.5
85.06525	85.3
91.05456	27.6
93.07018	9.5
94.72904	1.0
95.04946	1.3
95.08578	4.3
97.02850	1.5
97.06527	9.3
98.06839	3.4
105.07011	26.1
107.08569	26.2
109.06515	4.2
109.10135	50.3
111.08044	0.9
123.11654	8.5
125.09595	0.9
127.03898	1.4
127.07510	1.4
131.08559	1.5
133.10103	82.4
151.11154	59.2
167.94635	0.8
169.12189	43.3
187.13252	100.0
207.97929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
76.19662	0.8
92.09283	0.9
93.07033	1.1
106.00945	0.9
106.46707	0.9
108.48298	1.0
116.30654	0.8
135.36858	0.8
143.08351	0.8
144.88600	0.8
151.15456	1.1
365.22906	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	365.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.7
67.05490	6.1
76.80963	1.5
77.25263	1.5
79.71719	1.5
81.07017	3.7
91.05457	1.9
95.08561	2.3
98.97549	1.8
107.08566	1.8
109.10075	2.4
131.08559	1.7
150.35138	1.5
284.08771	2.1
365.19141	8.5
365.22958	100.0
365.27618	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	365.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	8.8
69.07061	10.5
72.57575	7.2
81.07047	13.4
93.07033	12.9
95.08581	18.0
105.07042	11.7
109.10143	8.3
119.08534	11.5
121.10135	8.4
133.10133	8.9
140.66348	8.2
263.12518	94.9
365.19046	77.1
365.23163	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	365.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96000	1.5
55.01848	2.4
55.05505	19.9
57.03429	14.3
59.04955	2.3
61.02917	2.2
67.05489	20.2
67.09609	1.4
68.34277	1.4
69.03136	1.4
69.03417	25.5
69.07049	31.6
71.04607	2.4
71.04972	40.7
73.02879	2.7
73.06503	1.6
76.56625	1.5
79.05470	44.8
79.84198	1.7
81.03382	8.4
81.07027	25.0
83.04947	10.8
85.02888	21.0
85.06523	3.0
87.04444	33.9
87.15177	1.6
89.03896	1.7
91.05441	8.2
92.08750	7.1
92.09344	3.8
93.07021	83.2
95.04949	3.3
95.08010	3.5
95.08579	71.5
97.02865	12.4
97.06519	18.2
97.10159	2.4
98.97590	2.1
101.05981	7.6
102.05496	2.0
107.04890	2.5
107.08565	7.3
109.02837	3.8
111.08036	1.8
113.09619	12.8
113.76679	2.0
115.03923	19.9
117.03326	2.0
121.06466	1.9
121.10114	100.0
125.09595	7.8
127.03912	2.6
129.05508	2.0
131.08556	2.8
135.04338	2.5
139.11147	83.8
147.04401	3.4
149.09592	9.2
157.12218	57.2
163.03810	14.6
167.06981	3.8
167.10600	9.1
168.07275	1.9
185.11676	24.1
188.01276	1.6
198.83319	2.1
203.12733	58.3
203.14481	3.3
208.09630	2.3
344.45636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1442
Annotation	Pyridaben
Peak:m/z	Relative Intensity
53.00306	0.5
55.01876	1.6
55.05510	0.8
57.03433	13.3
67.05509	0.4
68.99799	0.6
69.03423	3.5
69.07059	76.7
71.01344	4.0
71.04975	0.3
73.02906	7.4
73.06544	7.9
75.04464	8.6
79.05517	0.5
81.07040	0.6
83.01331	1.5
83.04990	0.5
85.02897	22.0
93.05518	0.5
95.01318	15.1
95.08600	0.6
97.02891	3.9
97.06519	48.2
99.00808	2.6
99.04437	1.7
101.02386	0.7
103.03951	2.5
105.16668	0.4
110.15189	0.5
113.02357	10.6
115.07558	100.0
116.07893	0.6
117.05476	0.7
119.08583	0.5
123.00792	0.6
123.04440	0.6
131.03381	4.7
131.79091	0.4
133.08481	0.5
141.01813	25.3
143.03433	1.7
145.47278	0.4
159.02898	4.0
167.07045	0.8
171.10133	1.5
177.03903	0.5
187.05989	0.8
189.11212	7.5
215.05467	5.1
233.06552	4.3
296.90118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22673	0.3
53.62218	0.3
54.09723	0.4
67.98943	0.3
73.92070	0.3
74.44788	0.3
75.93140	0.4
85.01383	0.3
95.91887	0.3
106.87679	0.4
131.51547	0.3
155.63203	0.3
161.70807	0.4
185.04175	17.1
203.05226	52.3
238.88452	0.4
283.06662	0.4
365.10480	100.0
366.10904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03592	0.6
53.33841	0.6
53.85672	0.6
55.01865	6.9
55.05514	6.9
57.03406	3.6
61.89122	0.7
63.37868	0.7
67.05495	12.6
69.03406	5.2
69.07050	15.3
71.04970	6.0
71.34799	0.7
72.08132	1.1
73.02906	1.2
79.05473	27.8
81.03382	3.3
81.07032	34.4
83.04952	3.7
85.02888	9.5
85.06516	3.1
85.77858	0.7
87.04407	0.9
91.05473	11.7
93.03371	1.1
93.07019	52.3
95.04913	3.8
95.08584	6.6
97.02865	5.2
97.06481	3.0
99.04457	5.7
100.58549	1.1
105.07004	11.4
107.04926	10.6
107.08570	18.7
111.04393	4.0
119.08546	2.0
120.08085	3.2
121.06472	4.4
121.10117	44.1
123.07999	1.8
123.11653	0.8
125.05939	3.4
125.41051	0.8
129.06958	1.3
131.08540	46.6
137.05820	0.9
139.11159	4.3
142.32787	0.7
143.30928	0.7
145.75101	0.8
149.09595	100.0
167.06978	1.0
167.10626	25.4
171.11577	1.0
185.11690	96.1
291.40820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10658	0.5
53.03926	3.5
55.01865	3.9
55.05485	2.5
57.03427	8.2
59.04961	0.6
59.49965	0.5
61.02631	0.8
61.02914	13.7
62.10462	0.4
67.05496	5.0
69.03414	26.9
69.07047	3.2
71.04966	4.6
73.02905	4.9
79.05463	6.0
81.03395	8.2
81.07035	7.5
83.01307	0.7
83.04954	2.0
85.02887	100.0
87.04450	12.0
91.03907	5.1
91.05450	0.5
93.07017	11.4
95.04925	0.5
95.08578	16.5
97.02867	26.7
97.06498	1.1
99.04421	4.6
101.02353	0.7
101.05986	1.1
105.07031	0.8
107.08596	1.2
109.02854	8.7
115.03912	5.8
120.64545	0.6
121.10124	17.6
127.03873	15.5
131.08562	0.7
139.11150	14.3
145.04935	19.7
149.09586	2.2
157.12228	2.3
161.57869	0.6
163.06001	3.6
167.07045	0.6
167.10667	3.5
180.08606	0.8
185.11711	3.3
209.11588	0.6
221.23825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83311	0.1
53.03923	0.2
55.01858	0.3
57.03410	0.2
61.02901	0.8
61.42279	0.1
67.05446	0.2
69.03403	1.1
78.04681	2.0
79.05470	1.0
81.03387	0.4
85.02889	4.0
93.07050	0.2
95.04932	0.4
96.05695	0.2
97.02865	1.3
106.04138	1.9
107.04957	0.3
109.02836	0.4
122.03634	0.2
123.04401	6.2
124.05183	2.6
127.03875	0.6
133.38055	0.2
134.03604	0.2
135.04320	0.2
137.05957	0.3
140.04630	1.5
145.04909	0.2
151.03903	1.1
152.04652	1.7
155.07051	1.2
167.07002	100.0
170.05736	0.4
173.31857	0.1
180.08606	0.4
185.08246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35772	0.9
51.27283	0.8
53.00303	0.9
53.03928	1.4
55.01855	1.5
55.02399	1.0
55.05505	27.4
57.03417	1.2
57.07070	9.5
59.43248	1.1
62.64603	0.9
67.05494	31.2
68.83886	1.0
69.03388	1.2
69.07056	59.2
71.04949	4.9
71.08602	1.7
73.06525	1.2
79.05476	21.6
81.07039	100.0
83.08611	20.4
85.06543	8.8
85.74748	1.0
91.05450	13.1
93.07021	40.5
95.04957	1.7
95.08585	78.8
96.08908	1.8
97.06503	8.1
97.10162	14.7
99.08068	9.1
101.02767	1.2
105.07032	11.5
107.08571	33.9
109.06464	1.8
109.10140	51.2
111.08058	5.4
111.11703	7.0
119.08565	11.9
121.10124	28.8
122.81882	1.1
123.04427	2.2
123.08063	1.8
123.11678	25.0
124.05203	1.1
125.09595	4.2
125.13272	1.5
127.11132	2.2
131.08508	1.9
131.85583	1.3
133.10143	9.9
135.11652	18.9
137.09651	1.2
137.13248	11.8
139.11189	2.5
145.10146	1.4
147.11659	7.2
149.13234	18.9
151.11188	1.3
151.14841	2.1
153.12717	2.6
161.13229	6.0
163.14789	7.3
167.07011	19.9
167.14316	1.6
174.37476	1.0
177.16409	2.8
179.17874	1.4
179.41772	1.0
189.16299	1.2
191.17830	2.0
205.19508	6.2
207.17429	1.3
217.19466	1.9
235.20500	2.0
253.21652	1.4
255.23415	1.2
261.25754	1.8
273.25696	4.7
279.26718	6.4
291.26852	15.4
309.27820	19.7
327.25351	18.8
327.28976	4.4
339.22290	1.0
345.29944	1.2
363.30328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	0.4
59.54278	0.5
73.85976	0.4
78.67126	0.5
83.11912	0.5
90.96880	0.4
92.08559	0.7
97.32042	0.5
102.09838	0.5
117.75169	0.6
123.24132	0.6
206.43825	0.5
229.41875	0.5
363.28598	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	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97562	0.9
55.05499	1.8
57.07047	6.4
58.86850	0.8
67.05476	5.3
69.07044	5.1
71.08598	1.8
77.33639	0.9
79.05456	2.4
81.07027	11.3
83.08554	1.2
85.06524	2.2
90.42949	1.1
91.05465	1.8
92.08898	3.5
93.07000	4.1
95.08559	7.8
95.32052	1.0
104.99163	1.2
105.07018	2.0
107.08562	1.5
109.06495	19.4
109.10135	1.9
119.08573	1.9
121.10106	2.1
123.08034	41.4
133.10112	1.9
135.08012	3.9
143.66010	1.1
147.11641	2.2
148.35919	1.0
152.04407	1.0
178.57005	1.0
179.14267	100.0
182.23254	1.1
184.17799	1.3
193.15822	2.5
228.69279	1.0
270.07925	1.2
331.26279	2.2
363.28845	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
55.89972	0.3
65.03940	0.3
67.05479	0.5
69.03417	0.4
70.84308	0.3
78.04689	4.1
79.05471	2.0
81.07014	0.7
85.02892	1.5
85.69658	0.3
91.05463	1.4
93.03392	0.4
93.07016	0.5
95.04926	2.2
103.05505	0.4
105.03354	0.4
105.06993	0.8
106.04167	2.8
107.04919	1.6
108.01836	0.4
109.02880	1.4
109.06501	0.4
119.08608	0.5
121.06499	1.5
123.04402	12.0
124.05191	4.1
133.06442	0.4
134.03604	0.5
135.04462	0.4
137.02333	0.4
137.05983	1.8
139.07520	0.4
151.03886	2.2
152.04686	3.2
152.05884	0.4
153.06976	0.4
163.03877	0.4
164.07089	0.5
165.06883	0.7
165.09109	0.6
166.39217	0.4
167.07002	100.0
168.04121	0.4
168.07323	0.8
169.06296	0.4
177.05391	0.4
181.06410	1.3
182.07257	0.3
183.10251	0.6
191.06960	1.1
196.42436	0.3
198.06650	0.4
201.11145	0.4
209.05844	0.5
210.06609	0.4
211.07501	0.5
213.09158	0.4
215.07123	0.4
241.08484	0.5
267.06772	0.3
273.11206	0.5
281.08179	0.4
285.10956	0.4
301.10556	0.6
313.10629	1.9
318.10880	1.2
330.30103	0.3
333.13208	1.2
345.13303	0.5
363.15674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01864	0.3
55.05490	0.2
67.05481	0.4
78.04690	4.2
79.05482	1.8
81.03406	0.2
81.07030	0.5
83.04980	0.3
91.05435	1.0
92.09029	1.7
93.07046	0.5
94.04134	0.2
95.04939	1.2
95.08559	0.4
96.05689	0.4
97.06519	0.3
101.06001	0.3
103.05451	0.5
105.07017	0.9
106.04152	2.3
107.04937	1.2
107.08607	0.3
109.02857	0.3
109.06490	0.4
109.10180	0.3
111.08037	0.4
113.13746	0.3
119.04961	0.4
119.08601	0.3
121.02794	0.2
121.06470	1.0
122.03632	0.4
123.04405	11.3
124.05183	4.3
129.06953	0.3
131.04895	1.2
133.02766	0.2
134.03600	0.5
135.04343	0.4
137.05959	1.0
143.08482	0.3
151.03883	1.9
152.04686	2.8
153.05447	0.5
153.06981	0.4
165.06985	0.5
167.07005	100.0
168.07381	0.4
181.06372	0.9
181.08566	0.3
182.07169	0.3
191.07037	2.1
195.08005	0.5
197.06023	0.3
198.06776	0.5
209.05952	0.3
210.06929	0.3
211.07523	0.5
213.08997	0.4
225.05600	0.3
226.06221	0.3
227.07011	0.4
241.08595	0.4
243.06390	0.4
246.70038	0.2
248.15456	0.2
273.11322	0.5
285.11215	0.4
301.10721	0.9
313.10580	2.9
314.11331	0.3
318.10922	1.1
333.13187	1.3
345.13257	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	362.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
56.05031	8.2
57.07067	9.5
58.06588	10.9
60.04507	2.8
67.05470	0.6
67.44572	0.4
68.05027	0.6
69.07053	0.8
70.06565	0.9
71.08604	2.4
72.08138	4.8
73.02872	0.5
74.06071	7.4
80.95807	0.5
85.02879	0.6
85.10169	1.2
86.06052	6.5
88.07611	61.7
89.06017	0.7
92.08665	0.6
95.08563	1.3
97.10114	1.2
100.07578	1.2
102.09174	0.5
104.07076	5.1
118.08635	1.1
132.10173	15.8
140.78682	0.5
162.11200	3.5
166.10735	2.8
167.12321	0.5
183.50198	0.7
270.27853	47.8
282.27704	0.8
314.26968	1.2
314.30429	16.4
327.25363	0.6
344.31592	1.9
362.32565	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	362.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.7
55.01861	2.3
55.05263	1.7
55.05503	28.7
57.03432	1.4
59.04984	4.3
59.80346	0.8
64.30163	1.0
67.05492	51.7
69.03403	3.9
69.07051	11.7
71.04975	100.0
71.08610	18.8
79.05473	14.8
81.07039	48.9
81.07527	1.2
83.04966	2.4
83.08601	18.6
85.06526	5.0
87.69487	1.0
91.05457	12.2
93.07027	20.8
95.04942	2.3
95.08586	23.7
97.06514	5.4
97.10145	25.7
99.08095	9.4
101.05943	0.9
101.26225	0.9
105.07003	9.0
107.08584	14.5
109.06513	1.7
109.10144	19.8
111.08064	3.9
117.06979	4.4
119.08561	6.0
121.10129	4.7
123.08049	1.5
123.11697	3.9
125.09602	16.0
128.31012	1.2
129.06920	1.7
131.08563	4.4
133.10092	7.2
135.08009	1.3
135.11682	9.2
137.02904	1.3
137.09592	1.7
145.03473	1.8
145.10135	1.7
149.13261	6.6
151.11142	10.4
153.09184	1.2
155.10623	1.9
155.14287	12.1
157.10077	0.9
159.11607	7.7
161.13203	4.9
162.90028	1.0
163.11172	4.0
173.11714	15.9
177.12686	2.4
179.14258	4.3
179.33749	0.9
181.62558	0.9
189.11159	12.9
195.13779	5.9
209.15294	4.7
213.14731	1.6
227.16368	39.3
277.21518	15.5
277.59299	1.1
295.22568	4.2
309.24127	1.2
363.17554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
53.40852	2.1
55.01862	13.2
55.05505	79.3
57.03428	30.9
59.04985	3.8
67.05495	90.2
69.03420	12.2
69.07055	100.0
71.01376	2.5
71.04974	15.0
73.06532	2.9
79.05473	86.5
79.05898	4.5
81.03392	24.4
81.07034	65.5
83.04964	62.5
83.08606	33.2
85.02890	4.1
85.06523	11.7
90.57412	2.3
91.05453	41.3
93.07022	87.4
95.04935	29.0
95.08588	45.4
97.02843	3.3
97.06525	13.6
97.10154	52.3
98.97520	3.6
105.07008	32.5
107.04951	15.9
107.08582	42.9
109.06512	12.9
109.10127	31.1
111.08044	9.8
113.05978	11.2
117.07016	19.9
119.08535	23.5
121.06501	11.3
121.10143	22.3
123.08014	22.5
123.11672	2.7
125.09609	31.5
129.07005	2.9
131.08565	12.9
133.10118	10.6
135.08046	4.4
135.11667	5.2
137.05920	2.8
137.09618	17.4
143.08560	5.3
143.55560	2.4
145.10138	11.4
147.08034	7.7
147.11693	9.5
149.09605	4.2
149.13277	4.1
153.09132	2.6
155.10623	4.2
159.11690	5.0
161.09610	3.9
163.11096	2.7
167.06990	13.9
169.10063	3.6
173.11732	8.4
173.13231	4.6
175.11078	3.3
177.12700	3.4
189.11159	27.3
195.13895	3.7
205.12160	9.5
217.15839	3.7
219.73175	2.2
221.15392	11.8
223.13263	38.1
237.02797	3.4
241.14270	4.2
273.18509	11.0
291.19485	31.1
309.20551	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	362.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.68207	0.6
55.01863	1.7
57.03423	5.7
61.02917	8.1
62.06073	3.3
69.03419	12.9
71.04983	1.4
73.02902	4.0
74.06050	1.3
81.03391	7.8
85.02888	59.7
87.04437	1.2
91.03940	1.3
97.02867	16.7
99.04431	1.6
107.52222	0.6
109.02891	4.8
122.03653	0.7
127.03877	10.1
134.18672	0.8
137.05956	100.0
140.04634	1.3
141.04979	0.8
145.04930	8.9
145.09729	0.9
163.03868	3.2
167.07094	1.0
168.33060	0.6
179.71367	0.7
180.08635	1.1
182.05267	0.9
183.06485	15.3
183.07983	0.8
200.09158	1.0
255.23943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
53.41098	0.2
54.15218	0.2
55.01855	0.3
57.03415	0.4
61.02909	1.0
63.00717	0.3
69.03411	1.2
70.17270	0.2
70.27764	0.2
71.04972	1.0
77.82976	0.2
78.68452	0.2
81.03410	0.9
85.02888	4.5
86.09684	0.9
91.05472	0.4
92.09147	0.8
93.07016	0.4
94.38651	0.2
95.04948	11.1
97.02870	1.7
98.97595	0.3
99.04479	0.2
103.05439	0.3
107.04895	0.2
108.94804	0.2
109.02885	0.3
110.06078	0.2
119.03315	0.2
119.04922	0.4
121.06472	2.4
122.06004	0.4
123.04408	100.0
127.03897	1.0
136.07597	0.5
137.05943	1.1
140.07071	0.5
145.04919	0.4
147.04384	1.5
154.08656	0.9
157.35150	0.2
158.99643	0.3
164.07069	0.4
165.01857	0.9
165.05441	29.7
182.08087	6.1
200.09201	1.3
223.09610	0.2
385.17633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
56.96564	0.4
57.03421	0.5
57.34000	0.4
61.01131	0.7
61.02903	0.6
61.93278	0.4
62.97943	0.3
63.00706	0.6
65.03917	0.4
69.03403	2.5
71.04962	0.6
81.03387	0.8
84.04456	0.4
84.08115	0.4
85.02892	6.8
86.09679	2.2
89.00596	0.7
91.05425	0.9
93.07003	0.5
93.55722	0.5
95.04947	13.6
97.02851	3.2
99.04498	0.6
99.85002	0.4
103.05424	0.5
112.20039	0.4
117.12111	0.5
119.03265	0.6
119.04914	0.9
121.06484	3.1
122.05991	0.6
123.04398	100.0
124.07559	0.5
127.03880	1.9
135.01067	0.6
136.07472	0.5
137.05959	3.2
145.04901	0.9
147.04404	2.1
165.01787	0.9
165.05435	32.5
167.28726	0.4
182.08076	8.2
200.09203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	15.8
57.07076	4.4
60.67641	3.0
67.05499	28.1
68.34082	3.5
69.07064	29.2
69.09525	2.8
71.04971	38.1
79.05467	16.7
81.07047	65.1
83.08582	6.9
85.06522	4.1
91.05464	6.7
93.07024	52.9
95.04896	4.2
95.08586	100.0
97.06441	3.1
97.10139	3.0
99.41307	2.9
105.07018	32.0
107.08594	69.2
109.10150	60.5
113.09644	18.9
117.06983	4.3
119.08563	49.5
121.10130	53.4
123.11651	25.0
131.08604	3.5
133.10065	30.2
135.11685	49.6
137.13280	11.9
145.10107	17.9
147.11647	21.1
149.02370	5.0
149.13232	15.6
157.10162	3.5
159.11646	12.3
161.13228	17.6
163.14836	23.9
173.13229	6.7
175.14766	6.5
187.14810	7.5
189.16414	21.7
191.17877	25.7
193.04994	3.9
203.17854	10.4
207.17419	13.8
217.19656	3.9
229.19513	4.3
242.70036	3.0
325.28900	7.3
343.29932	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	361.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.1
57.07067	9.9
67.05497	17.9
69.07060	18.7
71.04977	38.3
73.22285	4.4
75.07431	4.0
79.05454	15.3
81.07035	48.0
83.08606	7.6
85.02901	5.4
91.05444	5.8
93.07014	34.9
95.08576	100.0
103.77682	5.1
105.03373	5.8
105.07013	22.7
107.08595	57.4
109.10146	53.7
113.09625	26.2
119.08549	38.4
121.10136	50.2
123.11703	25.1
133.10109	24.1
135.11690	55.6
137.13289	5.5
145.10052	7.0
147.11656	19.7
149.13271	10.1
159.11694	9.6
161.13168	9.0
163.14789	29.4
173.13220	8.7
175.14821	10.8
177.16444	4.8
187.14865	6.6
189.16348	19.7
191.17944	29.6
193.04918	8.2
203.17853	5.5
207.17403	22.1
215.17920	4.4
229.19629	4.7
241.19507	5.3
256.93689	4.3
325.29120	14.1
343.29877	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01864	1.7
55.05502	28.4
56.04388	1.0
57.07070	12.4
59.62320	1.1
63.49422	1.2
67.05488	40.5
69.03401	1.7
69.07052	50.3
71.04971	5.9
71.08608	2.4
73.06546	2.1
73.16448	1.2
78.53831	1.2
79.05473	30.3
81.07037	100.0
83.04958	11.5
83.08606	21.3
85.06529	3.2
87.04449	5.4
91.05460	24.8
93.07021	56.8
95.04939	8.5
95.08583	94.4
97.06515	5.3
97.10152	11.3
99.00275	1.3
100.55333	1.5
102.43710	1.5
103.05434	2.5
105.07004	43.2
107.08572	45.6
109.06479	5.5
109.10139	56.6
110.50022	1.6
111.11676	5.9
113.05964	2.4
117.07001	3.3
119.08559	33.8
121.10101	27.8
123.08013	2.0
123.11684	22.6
131.08514	14.6
133.10091	27.0
135.11649	20.6
137.09583	7.8
137.13216	7.4
139.11101	1.9
145.10103	15.0
147.11688	16.9
149.13237	14.7
151.11159	2.3
155.10619	1.9
159.11653	13.2
161.13205	9.8
163.14816	7.2
165.12694	1.6
173.13220	6.4
175.14754	3.2
177.12656	1.6
177.16272	3.2
187.14743	5.6
189.16318	7.6
191.17978	2.3
203.17918	2.3
215.17909	5.9
271.24094	6.8
277.25061	1.8
289.25137	7.0
307.26175	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	361.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.9
53.03936	1.9
55.01864	2.6
55.05505	49.3
56.02644	1.7
56.05832	10.2
57.03428	6.8
57.07038	1.9
58.55878	1.6
59.04987	3.7
62.28242	1.7
63.31448	1.4
67.05490	77.7
68.05827	19.3
69.03411	2.9
69.06706	2.8
69.07050	47.2
69.43538	1.5
70.07378	8.1
71.04972	100.0
72.05303	22.6
73.06533	2.7
79.05476	64.8
80.05807	19.5
81.07040	52.5
82.07365	16.1
83.04949	2.5
83.08593	24.5
84.08969	5.9
85.02890	2.4
85.06525	3.0
86.06914	2.1
88.69375	1.8
91.05455	33.9
92.05775	11.6
93.07021	54.6
93.07568	3.3
94.07358	24.0
95.04929	7.5
95.08581	35.4
96.05310	2.4
96.08914	11.4
97.06507	9.6
97.10145	28.2
98.06901	2.0
98.10463	10.4
105.07005	26.3
106.07317	11.9
107.04915	2.3
107.08575	39.8
108.08896	13.2
109.06491	2.9
109.10139	40.0
110.10471	19.4
117.06962	3.2
118.07298	2.1
119.08556	17.7
120.08887	8.7
121.10128	26.6
122.10454	10.0
123.08051	3.4
123.11681	2.2
125.09631	17.6
126.09972	8.5
126.25333	1.6
131.08525	7.4
132.08891	6.7
133.10106	14.4
134.10448	8.8
135.11668	7.8
136.12056	3.3
137.09590	2.9
145.10132	3.9
147.11697	7.9
148.12029	6.7
149.09567	7.1
149.13231	3.3
150.09933	2.6
153.12712	17.6
154.13074	10.3
155.10622	3.9
156.10950	2.1
159.11693	7.6
160.11963	3.1
161.13200	2.7
163.11157	1.9
164.11433	2.2
173.11707	36.4
174.12083	22.4
174.13557	2.6
189.11221	10.5
190.11552	6.3
196.14221	2.8
200.56192	1.7
227.16389	12.1
228.16710	18.0
258.19315	3.7
275.20026	13.4
276.20380	38.3
294.21439	6.5
308.22946	8.1
332.63690	1.6
338.03406	1.7
347.80273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62876	1.9
54.81830	2.0
55.01865	2.5
55.05495	4.0
67.05482	9.0
69.03405	5.1
69.07044	4.1
71.04963	3.2
79.05481	12.4
81.03399	9.5
81.07040	18.0
83.04971	4.5
85.02831	2.7
91.05450	20.1
92.08708	3.2
93.07014	15.6
95.04939	14.8
95.08602	10.3
97.06514	13.1
100.04987	2.2
105.07008	23.5
107.04932	10.3
107.08553	5.4
109.06498	22.7
109.08168	2.0
115.05438	3.9
117.07011	4.8
119.08552	24.3
121.06470	19.6
121.10118	4.8
123.08018	10.9
128.06174	4.8
129.06998	13.4
131.08539	51.7
133.06410	8.2
133.10132	3.5
135.08031	9.8
137.05858	2.6
137.09641	3.4
141.06958	2.5
143.08504	26.4
145.06500	5.3
145.10147	23.0
147.08014	22.0
151.07410	3.4
155.08562	23.5
157.06509	3.6
157.10112	9.8
158.07318	3.6
159.08018	45.5
160.08780	3.1
161.09650	4.7
165.06999	9.3
167.07121	4.0
167.08542	8.8
169.10109	13.4
171.07979	19.8
171.11679	9.9
173.09572	58.7
178.07709	5.6
179.08482	5.8
180.09338	9.7
181.10130	14.8
183.08047	4.7
183.11729	9.7
185.09621	9.4
185.13190	2.7
187.11215	2.7
192.09251	5.0
193.10114	20.4
194.10844	3.5
195.11586	23.9
196.08859	5.4
197.09630	14.2
197.13176	4.0
198.10374	4.1
199.11201	11.3
203.08426	3.3
205.10098	15.5
206.10747	7.9
207.11658	14.0
209.09567	5.3
209.13197	4.0
210.10478	2.4
211.11099	28.5
213.12703	28.2
215.08524	9.3
217.10124	3.6
219.11598	10.3
221.09686	3.4
221.13277	10.0
223.11197	14.9
223.14839	5.3
224.11964	4.5
225.12703	12.5
230.10867	14.8
231.11627	5.7
232.08742	5.2
237.12758	16.8
237.16464	3.9
239.10735	5.0
239.14194	9.4
241.12219	2.6
245.13237	11.8
246.14145	3.0
247.11192	11.7
247.14746	3.8
248.11922	3.3
249.12793	11.5
250.13582	9.3
251.14351	3.3
256.12326	2.9
261.16296	3.5
263.14276	22.3
264.15140	4.5
265.15793	32.0
271.14548	4.1
279.17380	15.3
281.15305	43.1
283.16827	15.1
283.23816	2.4
289.15836	10.7
292.14615	3.0
297.18335	4.3
307.16830	42.4
325.17923	100.0
343.19034	9.9
361.19949	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	361.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01856	2.0
55.05512	0.4
56.65002	0.3
57.03417	0.7
61.02909	0.6
61.47808	0.3
67.05481	1.9
69.03418	3.0
79.05472	11.4
81.03397	1.5
81.07038	3.4
85.02884	6.8
86.03201	0.4
86.09677	0.7
91.05456	7.1
93.07017	21.8
93.76690	0.3
95.04948	4.5
95.08589	0.7
97.02863	1.8
97.06495	1.9
103.05452	0.7
107.04942	2.1
108.86790	0.3
109.02863	0.4
109.06496	1.5
111.04433	0.6
111.08074	1.9
121.06481	30.2
123.04404	0.4
123.08047	11.3
127.03889	1.3
135.04391	0.4
137.05969	5.0
139.07513	23.2
145.02731	0.5
145.04968	0.4
149.05963	8.5
150.09129	0.3
158.79344	0.3
163.03856	2.8
163.05991	0.3
164.04195	2.1
167.07001	100.0
181.04912	1.6
185.08084	1.4
199.09634	18.8
212.98477	0.3
329.17587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1126
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03925	1.0
55.01853	0.8
55.05498	0.3
56.96549	0.2
57.03411	1.1
61.02911	0.3
63.58329	0.2
65.03593	0.3
65.03922	5.4
67.05490	3.2
69.03409	4.1
69.07037	0.3
70.06562	0.5
71.04974	0.4
72.08122	0.9
73.02882	0.2
76.08885	0.2
79.05456	1.0
81.03397	3.5
81.07037	0.3
82.04176	2.7
83.04949	0.2
83.31062	0.2
84.04498	0.3
85.02888	10.2
86.03226	0.2
86.09680	1.0
89.44132	0.2
91.05447	0.3
92.09209	0.3
92.22829	0.2
93.03389	1.8
93.06997	0.7
95.04951	3.5
97.02859	2.1
97.06496	2.7
98.97540	0.5
99.04436	0.5
101.02342	0.2
103.05460	2.5
105.04486	0.2
105.07012	0.3
107.04933	1.3
107.08561	1.4
108.02064	1.3
108.05258	0.2
109.02866	1.1
109.06499	0.4
110.03647	4.0
111.04426	1.7
115.03928	0.2
116.98580	0.3
121.06483	0.2
123.00781	0.4
123.04380	1.1
123.08009	0.2
125.02338	0.2
125.05978	2.3
127.03867	1.8
131.04912	5.3
132.05235	1.9
135.08008	1.6
137.05977	0.8
137.09589	0.4
138.03101	2.0
139.03824	0.3
140.04655	9.7
141.05476	0.2
142.02588	2.7
145.04959	0.4
151.03824	0.3
153.05441	2.3
153.09087	0.3
155.07021	2.8
163.06142	0.3
163.07503	1.8
164.07904	0.8
167.03381	0.2
171.06497	8.3
173.08047	0.3
177.00764	0.2
181.04921	100.0
182.08876	0.3
188.05200	0.2
198.05270	0.2
199.05939	2.6
199.13248	0.3
287.79129	0.2
325.09036	2.2
337.31671	0.2
343.09998	2.2
360.17062	1.0
361.13504	0.3
361.17715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1124
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.46115	0.3
53.03938	4.4
55.01861	2.8
55.05478	0.5
57.03423	0.5
59.04954	0.4
59.94098	0.4
61.02903	0.8
65.03912	1.7
65.38503	0.3
67.05476	3.4
69.03405	4.3
71.04951	0.4
72.22108	0.3
73.02887	0.4
74.12223	0.3
79.05474	7.0
81.03384	2.9
81.07019	2.4
83.60558	0.4
85.02884	11.6
86.03215	0.9
87.00605	0.3
91.05468	4.0
93.03323	0.4
93.06481	0.8
93.07018	13.2
95.04942	26.5
95.08625	0.5
97.02866	3.5
97.06481	0.8
99.04421	0.8
105.04489	2.7
107.04906	1.0
109.06509	0.6
110.03648	0.8
111.04418	0.9
111.08054	1.8
119.04896	0.4
120.02042	0.4
121.02835	1.6
121.06473	16.7
123.04392	12.6
123.08021	5.8
125.02310	7.7
127.03876	4.6
128.04233	0.7
131.04916	0.5
135.08107	0.4
137.05936	5.9
139.07510	13.4
140.04655	100.0
145.04944	2.7
146.05290	0.5
147.04314	1.5
149.05957	6.5
155.07004	24.9
163.03862	2.0
163.05994	0.5
164.04156	0.4
166.02568	0.7
166.04962	0.8
167.06995	65.1
171.06424	0.5
173.08083	3.3
173.09366	0.4
173.81615	0.4
181.04929	10.6
185.08076	1.6
199.05975	29.5
199.09601	12.6
216.59949	0.5
258.10254	0.5
278.45764	0.4
361.09006	0.6
361.14529	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	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
54.07669	1.7
55.01856	4.0
55.05263	2.6
55.05503	44.6
57.03428	2.1
59.04990	3.6
59.41775	2.0
59.61342	1.9
61.05760	1.7
67.05489	82.3
67.06049	2.4
69.03413	3.8
69.07047	44.5
69.79829	2.2
71.04972	100.0
75.14405	1.8
79.05477	84.5
79.19044	1.9
81.07038	53.2
83.04940	3.9
83.08597	32.4
85.02896	8.1
85.06547	2.2
87.08104	2.7
91.05037	2.0
91.05469	33.1
93.07021	70.5
95.04951	7.7
95.08587	35.4
97.06502	9.1
97.10147	34.0
105.07017	28.7
107.08574	50.8
109.06464	2.6
109.10139	54.0
111.08040	8.3
117.06979	3.1
119.08581	20.2
121.06468	2.6
121.10122	39.6
121.22523	1.9
125.09606	26.6
127.03905	3.3
131.08530	9.9
133.10078	13.8
135.08025	3.6
135.11650	11.8
145.10068	10.1
147.11665	11.3
149.09572	5.0
149.13237	2.8
153.12733	20.7
155.10664	12.4
159.11639	9.8
161.13245	2.2
163.11082	2.7
173.11707	56.5
173.13124	2.0
189.11276	15.8
189.12698	2.5
195.13748	3.8
217.74380	2.1
227.16364	19.2
257.18896	3.0
275.20053	37.5
307.22681	4.7
372.74719	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.1
55.05503	41.5
57.03430	5.0
57.07061	3.0
61.91946	2.5
65.89224	2.7
67.05492	100.0
69.03423	16.4
69.07053	31.7
70.93462	2.9
71.04977	70.8
72.84508	2.6
73.06534	3.8
76.09258	2.6
79.05476	79.4
81.03379	4.5
81.07040	39.3
83.08591	25.2
85.02883	27.3
85.06519	5.0
87.08096	3.3
91.05454	30.2
92.08633	3.2
93.07024	58.2
93.13795	2.7
95.04946	5.0
95.08572	38.1
97.02901	4.3
97.06485	7.2
97.10161	35.4
105.07009	29.4
107.08582	48.4
109.10141	69.4
111.08090	6.0
117.06977	5.6
119.08559	12.6
121.10119	46.0
125.09609	22.0
127.03878	12.1
131.08531	4.4
133.10155	7.4
137.09567	3.4
143.00240	3.0
144.01303	2.7
145.04926	5.8
145.10124	5.5
149.09596	4.3
150.07516	2.9
153.12668	21.1
155.10638	6.9
155.70937	3.2
159.11734	4.2
163.11209	4.4
173.11714	71.0
189.03677	2.9
189.11188	16.3
257.18942	4.3
269.22443	3.1
274.56000	3.0
275.20007	34.4
374.83795	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	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43473	1.3
55.01856	7.8
55.05503	57.2
55.57510	1.4
57.03424	6.1
57.07055	2.4
59.04984	7.4
64.33038	1.8
67.05486	40.3
69.03413	20.1
69.07046	21.0
71.04967	15.4
73.06537	10.4
79.05470	26.7
81.03383	1.7
81.07033	100.0
83.04971	1.8
83.08595	49.0
85.02888	27.8
85.06550	3.6
91.05452	6.8
91.64002	1.7
93.07027	16.9
95.08578	71.4
97.02859	11.8
97.06504	1.8
97.10139	70.1
99.08075	1.8
105.06985	7.1
107.08566	29.1
109.10166	12.9
111.08068	2.9
117.06942	2.2
119.08530	2.7
121.10098	6.4
123.11668	22.4
125.09586	38.9
127.03889	20.1
133.10103	6.3
135.08043	1.9
135.11674	3.5
137.13228	30.1
139.11183	6.7
143.10655	2.5
145.04964	9.5
147.11661	6.0
151.11116	1.9
153.09081	10.2
155.14278	8.5
163.05978	2.5
169.12157	2.0
181.12177	2.3
185.78650	1.6
187.13275	14.4
189.11147	25.6
191.11397	1.5
201.14799	37.1
279.23062	19.4
289.21503	6.4
307.22610	16.3
325.23633	65.0
343.24899	2.6
347.66071	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	360.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	4.4
53.03930	5.1
55.01855	16.5
55.05502	99.5
56.96548	7.7
57.03419	17.2
58.90455	3.1
59.04760	3.4
59.04992	56.2
65.03940	4.3
67.05489	100.0
69.03410	18.8
69.06709	5.3
69.07053	95.6
69.07412	6.7
71.04972	69.4
73.02879	4.2
76.80402	3.2
77.51300	3.3
78.30361	3.6
78.52098	3.1
79.05469	95.0
81.03390	21.6
81.06588	4.9
81.07030	80.8
83.04952	14.3
83.08598	45.3
85.02867	24.3
85.06499	5.9
89.42522	3.0
91.05451	48.3
92.42181	3.2
93.07017	67.8
95.04932	31.5
95.08582	30.6
97.02866	6.0
97.06482	31.2
97.10150	59.2
105.07011	33.3
107.04909	12.7
107.08565	44.5
109.06516	13.7
109.10124	34.1
111.08068	13.2
113.05960	5.5
115.07523	12.5
117.06984	7.1
119.08550	19.1
121.06492	6.4
121.10117	24.7
123.11687	4.7
125.09631	26.4
127.03894	15.8
131.08553	15.5
133.06429	3.5
133.10107	16.5
135.08015	5.7
137.09566	4.8
141.06987	4.3
145.04944	15.7
145.10098	14.5
147.11711	5.9
149.09569	5.6
153.12720	14.8
155.10574	5.1
159.11658	6.8
173.11722	39.2
189.11154	15.2
205.12332	3.7
215.57185	3.5
223.13307	14.7
275.19952	19.8
296.67828	3.3
325.19955	5.7
360.23627	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	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	4.2
53.03948	5.5
54.81660	2.8
55.01862	16.6
55.05233	3.2
55.05502	84.0
55.23620	3.2
57.03428	12.7
59.04993	43.3
65.03931	3.3
67.05138	4.7
67.05491	100.0
69.03405	27.3
69.06704	5.5
69.07057	91.0
71.04978	85.7
73.02874	5.0
73.98149	2.9
75.89905	2.8
78.36781	3.3
79.05478	80.2
81.03398	14.0
81.07042	65.2
83.04971	7.8
83.08608	43.5
85.02898	37.9
85.06522	5.8
91.05465	39.1
92.09342	8.0
93.07014	58.8
95.04932	18.5
95.08578	35.7
97.02889	15.0
97.06512	25.9
97.10152	58.4
99.08039	3.4
105.07011	37.9
107.04942	14.0
107.08570	51.9
109.02956	3.2
109.06516	14.7
109.10152	42.9
111.08047	5.3
112.80487	3.9
115.00657	3.0
115.07595	3.5
117.06985	6.4
119.08546	21.4
121.06496	7.8
121.10114	29.9
123.08060	5.0
125.09588	37.9
127.03902	24.9
131.08524	8.3
133.10129	16.7
135.08057	6.5
145.04922	15.0
147.11682	6.8
149.09625	4.4
153.09088	13.5
153.12704	15.2
155.10608	6.6
159.11659	7.3
163.11122	5.2
173.11674	32.5
173.12985	4.5
178.41939	4.0
189.11137	20.1
223.13263	13.8
227.16454	6.3
258.55173	4.2
261.94391	3.3
275.20068	19.5
281.00641	3.8
302.21954	3.9
314.86713	3.4
325.20245	5.0
382.38559	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	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.3
53.03921	2.1
55.01872	12.1
55.05260	1.8
55.05504	31.6
57.03427	42.3
57.25948	1.1
59.04968	1.7
60.16681	1.2
61.02905	2.4
61.90325	1.3
67.05194	1.7
67.05496	34.6
68.60643	1.4
69.03409	16.6
69.06705	2.1
69.07058	37.6
71.04981	18.2
73.02892	7.4
79.05473	26.9
81.02930	2.0
81.03399	44.5
81.07040	21.8
83.04963	13.8
83.08604	13.6
85.02416	2.2
85.02895	42.2
91.05463	21.3
93.07017	16.8
95.04949	20.5
95.08599	13.3
97.02885	11.5
97.06497	16.3
97.10142	21.3
99.04430	2.3
99.07944	1.2
105.07011	11.5
107.04960	13.1
107.08580	13.4
109.02848	3.3
109.06502	100.0
109.10140	12.8
111.04417	2.8
111.08124	1.8
115.07531	17.4
117.07014	9.5
119.08551	9.2
121.06485	13.4
121.10114	2.5
123.08007	10.6
125.09561	9.6
126.00217	1.2
127.03912	15.0
129.06967	1.4
131.08546	5.8
133.06459	2.4
133.10104	3.4
135.08028	7.9
137.09596	6.2
139.07515	2.8
145.04938	10.1
145.10106	2.1
147.08052	2.8
147.11638	2.7
153.09106	6.6
157.10060	1.5
159.08025	15.7
163.07509	1.6
171.10124	16.2
171.11528	2.2
172.68427	1.5
173.11705	7.2
173.13116	2.0
175.11209	2.0
177.09044	1.7
189.11156	1.7
193.12283	1.7
211.13289	6.5
219.01758	1.5
233.15291	1.7
237.14806	9.6
253.15811	2.4
256.25778	1.6
271.16833	9.3
289.17950	16.0
307.19046	10.2
325.19940	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	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80755	0.9
52.35118	0.9
53.00310	4.4
53.03936	6.2
55.01867	17.3
55.05506	78.6
57.03430	10.1
57.07064	2.3
58.52166	0.9
59.04988	25.1
63.94368	0.9
65.03949	1.6
67.05492	100.0
69.03419	13.9
69.07054	83.1
71.04975	76.5
71.05379	1.6
71.31366	1.0
72.33187	1.0
73.02901	1.7
73.06531	2.6
78.04039	1.0
79.05477	75.6
79.64034	1.0
80.06221	1.2
80.73698	1.0
81.03397	15.5
81.07040	59.2
83.04977	9.1
83.08601	41.3
85.02890	14.7
85.06532	6.9
87.08082	1.8
91.05461	40.1
91.55267	1.1
93.07021	67.0
95.04946	20.0
95.08588	31.4
97.02883	4.4
97.06511	27.0
97.10150	48.7
99.04442	1.8
105.07009	34.1
107.04939	8.2
107.08578	47.7
109.02873	1.2
109.06496	12.0
109.10146	42.3
109.51048	1.2
111.08092	8.5
113.06042	1.2
115.07519	2.5
117.06986	8.7
119.08554	21.4
120.10962	1.3
121.06502	8.6
121.10123	27.7
123.08049	4.7
123.11692	2.8
125.09605	32.8
127.03880	7.5
129.06981	4.8
131.08577	13.5
133.06442	1.6
133.10085	12.5
135.08058	5.6
135.11705	5.1
137.09570	5.2
143.08478	1.7
145.04976	4.3
145.10112	8.7
147.07964	1.9
147.11665	7.7
149.09644	10.4
149.13208	1.4
153.09135	1.6
153.12732	20.2
155.10574	7.9
159.11674	4.5
161.09578	2.2
161.13257	4.3
163.11153	5.0
164.13374	1.1
165.09145	1.3
173.11705	49.7
173.13141	2.8
177.12709	4.4
187.14778	1.2
189.11176	14.7
191.14456	1.1
213.35063	1.1
223.13284	5.9
227.16373	6.7
257.18854	3.7
273.18442	2.3
275.20020	23.2
280.17160	1.2
293.21097	1.5
302.39572	1.2
325.20108	2.1
345.23224	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02876	0.9
53.03940	1.0
55.01859	7.1
57.03429	6.3
61.01140	100.0
61.02914	5.4
64.95782	0.8
65.03923	1.4
69.03413	23.9
69.03761	1.4
71.04976	33.6
71.97865	0.8
72.08138	1.6
73.02892	4.9
74.99081	0.9
75.02671	1.0
81.03400	7.0
85.02889	56.0
86.09686	4.0
87.04443	1.5
89.04230	1.1
91.02153	5.4
91.03914	1.4
95.05024	0.8
97.02874	19.8
99.02650	5.1
99.04437	5.9
101.02365	4.1
103.02157	1.5
109.02866	4.7
115.03911	1.3
117.03695	97.0
121.87999	1.0
127.03883	30.8
135.04730	31.1
136.44420	0.8
145.03183	7.1
145.04939	19.0
163.04210	22.3
163.05959	4.5
169.90263	0.9
174.44377	0.9
175.31221	0.8
181.05252	28.6
185.16496	0.8
208.33521	1.0
213.15924	1.0
359.42200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01866	0.4
57.03441	1.1
61.02909	1.6
65.02400	0.3
65.98221	0.3
69.03416	4.5
72.96081	0.4
73.02894	0.5
79.05457	0.7
81.03389	1.6
83.08519	0.4
85.02892	16.0
89.03883	3.4
91.03942	0.6
92.09317	0.7
97.02871	5.0
99.04422	0.5
107.04935	1.9
109.02846	1.4
117.03346	6.9
127.03882	3.0
131.04874	0.4
135.04395	16.8
139.03821	0.6
145.02826	15.8
145.03947	0.7
145.04860	2.6
163.03868	100.0
165.08687	0.3
180.08636	0.5
180.10168	0.5
181.04921	23.4
183.07797	0.4
211.91975	0.5
225.61850	0.4
240.85358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01859	1.9
57.03418	3.3
58.55414	0.5
61.02902	2.8
63.36364	0.4
69.03416	9.4
71.04973	0.5
72.08138	1.0
73.02880	2.0
79.05486	0.5
81.03393	2.5
85.02887	31.3
86.09675	2.1
89.03886	3.2
89.50061	0.4
89.77043	0.5
91.03944	0.7
91.05473	0.7
95.04945	1.1
97.02872	9.5
97.68999	0.5
99.04419	2.9
101.02341	0.7
103.05447	27.2
105.06992	0.7
107.04916	2.0
109.02856	2.4
111.04437	0.6
115.03906	0.6
116.98625	0.5
117.03365	6.3
127.03896	10.0
131.04903	69.1
135.04398	16.5
137.05959	0.8
138.44794	0.5
139.03940	0.6
145.01701	0.7
145.02826	14.3
145.04944	6.0
148.62312	0.5
152.79483	0.5
162.05476	2.9
163.03868	100.0
163.07477	13.1
180.08585	2.0
181.04924	24.0
198.11292	0.8
232.69429	0.5
242.95161	0.5
265.07092	0.5
333.83282	0.6
359.16867	1.0
360.16879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.2
56.15029	6.0
57.03431	9.9
57.07062	100.0
63.82893	6.0
67.05481	35.1
69.03409	16.6
69.07032	31.4
71.08614	68.2
76.56049	6.6
81.07021	30.4
83.08591	13.1
85.02882	40.3
85.10152	15.8
92.09249	13.0
92.47061	6.5
95.08578	43.9
97.02871	13.0
97.10175	10.5
104.61574	8.0
109.10146	12.8
127.03881	27.2
175.92256	7.3
182.88351	6.7
250.89304	11.9
251.89624	9.2
341.30377	36.4
370.92319	7.3
376.59790	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	359.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40821	0.4
53.03936	0.8
55.01863	1.2
55.05504	3.4
57.03424	4.3
57.07066	1.0
59.04982	2.3
60.61775	0.4
61.02907	2.2
62.15195	0.4
67.05495	3.6
69.03416	10.7
69.07053	5.2
70.06590	0.7
71.04979	0.9
71.47583	0.6
72.52925	0.6
73.02923	0.6
79.05472	6.0
80.22299	0.5
81.03401	1.3
81.07038	9.6
83.04961	3.6
83.08604	2.5
85.02887	17.1
85.06536	2.5
86.09679	4.4
87.04451	2.5
91.05452	9.8
93.07018	17.9
95.04939	11.2
95.08572	5.6
97.02869	5.3
97.06499	9.2
99.04443	1.1
99.08085	1.3
103.05444	3.1
105.07012	22.2
107.04934	0.7
107.08574	47.2
109.02866	2.0
109.06495	24.8
109.10143	8.1
111.08075	3.5
113.06062	0.6
113.09651	0.6
115.03889	0.9
115.07544	2.3
117.03374	0.8
117.07014	0.8
119.04940	1.0
119.05947	0.5
119.08553	10.1
121.06441	3.8
121.10118	10.0
123.04398	1.2
123.08056	2.7
123.11674	3.4
125.05957	1.0
125.09590	3.9
127.03873	2.6
127.82761	0.5
129.46545	0.6
131.04893	3.2
131.08553	5.3
133.10100	59.8
134.03561	0.5
134.10478	0.7
135.08015	4.3
135.11665	36.3
137.05963	4.1
137.09563	3.7
139.11147	1.1
143.08580	1.1
145.02827	2.5
145.10103	2.8
146.03162	0.9
147.11667	10.1
149.09601	3.7
149.13237	2.3
151.11122	5.1
152.07097	1.1
153.09064	6.6
158.10873	0.8
158.26872	0.5
161.09575	20.0
163.07535	0.6
163.14796	2.4
165.12834	0.7
167.14365	0.7
171.10086	0.9
173.13216	9.8
177.05466	1.1
178.05736	0.6
179.06122	1.0
179.10629	58.7
191.14264	8.1
197.11690	100.0
198.11966	0.7
209.15311	19.3
227.16367	10.9
285.11343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42386	0.5
53.03924	1.6
53.35555	0.6
55.01857	3.6
55.05509	1.0
55.39547	0.6
56.96545	0.7
57.03422	4.8
57.07099	0.6
57.10770	0.6
61.02913	8.1
67.05495	1.7
69.03066	0.9
69.03416	17.4
71.04971	3.1
73.02896	3.8
77.43720	0.8
79.05463	4.6
81.03419	6.1
81.07030	5.4
85.02890	42.0
86.09696	6.1
87.04432	2.9
91.05450	9.8
92.09290	1.0
93.07034	15.7
95.04964	1.6
95.08588	4.2
97.02869	11.3
97.06500	1.5
99.04434	1.5
100.70823	0.8
103.05423	2.5
105.07020	14.4
107.08577	71.2
109.02858	5.3
109.06498	4.7
109.10154	4.9
117.06992	1.1
119.04988	1.2
119.08564	11.6
121.06486	2.8
121.10127	13.1
122.03637	0.7
123.08060	1.3
123.11637	1.6
127.03885	6.3
127.13660	0.7
131.04893	3.5
131.08546	1.7
133.06412	1.4
133.10107	41.4
135.07996	1.3
135.11702	0.8
137.05957	5.8
137.09619	5.0
139.07541	2.8
143.08540	1.7
145.04950	4.0
149.09598	6.3
151.07549	3.2
151.11177	16.4
160.17946	0.7
161.09572	12.3
163.03902	1.2
164.46100	0.7
167.10632	21.9
179.10651	32.4
187.07545	1.0
197.01212	1.4
197.11693	100.0
215.02214	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	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03936	1.2
54.34732	0.2
54.40332	0.2
54.78829	0.2
55.01854	1.0
55.05503	0.6
55.49318	0.3
57.03424	2.2
57.07063	0.3
58.17128	0.2
59.04983	1.5
61.02912	3.7
67.05491	2.0
68.27616	0.3
69.03412	7.9
69.07060	1.1
71.04977	0.6
73.02878	1.4
79.05466	2.4
81.03384	3.9
81.07028	1.9
83.04942	0.5
85.02887	26.4
86.09689	0.6
87.04417	0.3
91.03960	0.4
91.05460	6.7
93.07020	11.8
95.04945	4.3
95.08587	1.5
97.02859	5.4
97.06518	0.4
99.04435	1.4
101.78893	0.3
103.05469	0.3
105.07012	12.5
107.04939	0.6
107.08575	38.0
109.02877	2.5
109.06508	3.5
109.10146	4.4
113.06010	0.3
119.04929	0.5
119.06041	0.3
119.08556	4.8
120.09386	0.4
121.06487	3.6
121.10088	0.6
123.04414	1.7
123.08028	0.3
123.11665	1.8
127.03890	4.8
131.04810	0.3
131.08527	1.3
133.06512	0.4
133.10100	40.1
135.08086	0.6
135.11667	31.8
137.05957	2.1
137.09578	2.7
141.33293	0.3
143.08536	0.4
145.04924	1.6
146.07155	0.5
147.11693	0.5
151.11165	3.0
153.09082	0.3
161.09587	20.2
165.43321	0.3
179.10634	57.3
197.11696	100.0
198.12071	0.5
227.16338	0.4
278.24582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69657	0.3
57.06812	0.6
57.07067	11.5
58.06575	1.6
59.63933	0.4
62.06078	0.6
66.81402	0.3
70.06197	0.8
70.06573	22.2
70.56356	0.4
71.08614	5.0
74.06050	0.3
75.23746	0.3
85.10161	2.3
88.07608	23.2
102.09166	6.5
106.08648	10.9
133.14705	0.4
134.78406	0.4
250.89453	1.5
314.34152	0.8
340.35660	9.5
358.36716	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61896	0.4
52.96847	0.4
53.03922	0.5
55.01862	0.9
55.05497	0.8
56.99986	0.4
57.03415	1.9
59.04980	0.6
61.02903	2.8
67.05492	1.1
69.03403	6.0
69.07050	0.8
70.06588	0.5
71.04981	0.6
73.02880	0.8
78.93520	0.5
79.05472	3.0
81.03394	2.0
81.07031	2.6
83.04949	0.7
85.02886	12.4
86.09677	12.6
87.04447	0.9
91.05450	6.7
93.07017	8.8
95.04938	2.2
95.08569	1.1
97.02867	2.8
98.02380	0.7
99.04450	0.8
103.31369	0.5
105.03347	0.6
105.06350	0.9
105.07001	13.8
107.04935	0.6
107.08572	99.4
109.02855	1.1
109.06464	3.2
109.10133	4.4
119.04900	0.5
119.08578	3.5
121.06479	2.7
121.10069	0.7
123.11628	0.8
124.09645	0.4
127.03892	0.8
131.04880	0.6
131.08517	1.2
133.10100	49.8
135.11664	13.1
137.05963	3.5
137.09604	3.5
141.10110	0.6
143.08517	0.8
143.11763	0.7
145.04897	0.5
145.06464	0.5
146.07187	0.7
151.11082	3.4
155.11841	1.1
161.05971	0.6
161.09578	15.2
175.50536	0.5
179.10631	19.2
183.11182	0.7
183.87752	0.6
187.07489	0.5
197.11690	100.0
200.13957	2.0
236.83299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2994
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03944	3.1
55.01861	2.0
55.05501	82.2
57.03423	14.6
57.07064	36.7
67.05489	73.2
67.12943	1.6
69.07050	100.0
70.69910	1.4
71.04987	2.0
71.08612	16.2
79.05470	42.3
81.07034	72.6
82.91608	1.4
83.08596	60.7
85.06516	3.6
85.10162	11.3
86.50424	1.4
89.80908	1.6
91.05474	3.7
92.08677	2.3
93.07018	48.6
93.87711	1.6
95.08576	82.2
97.06496	23.5
97.10140	33.9
99.01682	1.8
102.14734	1.7
104.84319	1.7
105.07037	2.6
107.08576	32.2
109.06489	9.1
109.10130	29.1
111.08055	10.7
111.11715	8.0
114.36270	1.7
116.98634	2.0
119.08580	1.9
121.10117	57.4
123.11669	10.3
125.09648	2.4
135.11665	37.9
149.02310	18.8
149.13216	14.5
151.14807	2.3
163.14783	7.8
165.16295	3.9
247.24162	27.6
265.25183	45.2
339.28860	53.8
357.26031	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
55.01852	2.5
55.05505	86.6
57.03426	16.2
57.07067	35.8
60.50258	1.2
67.05139	2.4
67.05493	69.8
69.07056	100.0
71.04965	5.8
71.08606	14.9
75.04458	1.6
79.05473	42.4
81.07041	85.3
82.88810	1.2
83.04986	1.9
83.08606	63.5
85.06514	3.0
85.10152	6.1
85.75504	1.4
91.05475	3.0
91.63165	1.3
93.07021	53.8
95.08583	80.8
97.06511	24.6
97.10143	37.2
98.97549	1.9
99.08060	2.0
105.07009	3.4
107.08587	31.8
109.06486	6.8
109.10139	33.7
110.11969	1.5
111.08041	7.9
111.11687	8.7
116.98651	1.4
121.10117	58.3
123.11666	8.2
125.09620	4.6
134.99638	1.4
135.11673	33.8
137.13219	2.5
139.11223	2.6
149.02336	9.8
149.13226	16.8
151.14807	2.7
163.14760	5.1
165.16339	5.5
177.16399	1.8
229.99226	1.6
247.24120	31.9
265.25208	47.6
283.26187	1.7
339.28906	57.3
357.25943	26.5
357.29926	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	357.2422
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
54.62088	1.1
55.01861	2.3
55.05497	8.9
59.99453	1.4
60.18997	1.1
62.66686	1.2
63.71772	1.2
64.33829	1.5
65.03937	1.8
66.99092	1.2
67.05490	34.0
67.78684	1.4
69.03429	1.6
69.07053	5.5
79.05038	2.4
79.05473	35.8
80.82217	1.5
81.03409	2.3
81.06593	2.1
81.07034	39.8
82.01283	1.3
83.04964	11.4
83.08599	8.0
85.02882	7.9
85.06544	2.9
91.05460	28.2
93.03385	3.1
93.07024	41.5
95.04946	9.9
95.08584	36.5
96.13322	1.4
97.06493	2.9
97.10151	1.6
98.97546	2.1
105.03355	2.7
105.07015	48.4
107.04935	2.7
107.08576	45.2
108.19572	1.2
109.06514	3.0
109.10137	19.6
111.04431	58.8
115.05429	1.8
117.03310	2.8
117.07013	12.7
119.08566	38.3
121.10115	22.5
123.04385	6.4
123.08055	1.4
123.11645	2.1
125.05929	5.8
128.06235	2.2
129.06937	5.4
130.07803	1.5
131.08539	26.5
133.10106	36.8
135.11671	32.6
137.05942	5.8
141.06961	2.1
142.07719	1.5
143.08563	11.0
144.09315	1.4
145.02841	7.4
145.10098	26.7
147.11678	21.8
149.05956	3.1
149.13251	7.1
155.08514	5.3
157.10118	12.8
159.08005	1.8
159.11659	19.5
161.13232	22.4
163.07529	1.7
169.10088	6.5
171.11661	8.5
173.13214	6.6
174.60010	1.5
177.05411	7.0
177.09076	2.3
181.10086	2.0
183.11673	9.4
185.13268	11.7
187.11163	3.2
187.14801	6.3
189.16364	1.8
195.11665	1.7
197.13242	3.3
199.11258	1.7
199.14816	5.7
201.16313	6.6
209.13092	1.7
211.14813	7.7
213.12654	1.6
215.17938	9.9
229.12123	3.4
231.13680	2.6
237.16171	1.9
238.69489	1.4
239.18047	2.0
243.13783	2.9
245.15431	1.6
257.15363	6.8
279.20880	1.6
283.16812	2.3
293.22507	6.4
303.21024	1.4
321.22107	3.0
339.18942	2.5
339.23120	59.4
357.18845	9.9
357.24127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2418
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
50.20176	1.4
54.68685	1.6
55.01844	1.6
55.05495	8.1
63.07935	2.0
65.03936	2.3
67.05491	32.8
69.07039	7.9
71.28869	2.0
72.27425	1.8
79.05476	33.0
81.07030	36.9
83.04958	8.9
83.08591	9.3
85.02872	10.1
91.05460	26.3
91.77669	2.1
93.07020	36.1
95.04939	3.6
95.08579	32.6
98.97579	3.0
103.54296	2.1
105.07010	35.5
107.04945	3.3
107.08588	36.5
109.10136	15.0
111.04426	55.0
116.98615	6.1
117.06996	10.0
119.08562	29.9
121.10138	22.1
125.05952	10.1
129.06985	9.8
131.08539	33.7
133.10104	30.1
134.93521	1.9
135.11685	21.9
142.07794	3.8
143.08527	16.9
145.06482	2.5
145.10092	32.5
147.11623	20.3
149.09560	2.6
149.13219	3.6
151.11179	2.2
155.08530	8.2
157.10063	15.8
159.11674	25.9
161.13222	10.9
163.07536	2.4
169.10072	7.6
171.11650	12.3
173.13148	2.8
175.14780	2.2
177.09071	4.7
177.16498	2.2
177.53464	2.1
181.10081	2.3
183.11642	8.2
185.13184	14.7
187.14778	8.9
189.16336	2.6
197.13174	10.4
199.14738	9.8
201.16399	4.0
205.12167	3.3
209.13176	2.0
211.14772	4.2
213.12802	3.3
213.16341	7.4
215.17973	3.2
223.14813	2.3
239.17903	4.4
243.13867	3.4
279.21234	6.4
293.22595	4.8
321.21967	10.6
339.23099	56.5
357.19876	4.0
357.24133	100.0
376.39612	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	357.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
55.05510	19.1
55.05719	2.2
56.16392	2.0
66.04745	1.8
67.05489	53.9
69.03410	4.9
69.07038	11.1
71.04939	2.3
73.37576	2.0
79.05472	48.9
80.23186	2.2
81.03378	3.7
81.07039	71.8
83.04961	5.5
83.08591	13.7
85.02895	3.1
85.06529	32.6
85.74467	2.0
91.04945	4.3
91.05457	65.1
93.07019	84.5
95.04940	14.4
95.08577	64.8
97.06488	5.1
103.05470	3.0
105.07009	100.0
107.08566	65.4
109.06478	10.1
109.10143	23.3
111.04418	15.5
115.05420	10.6
117.03363	3.8
117.06986	35.9
119.08559	74.3
121.06459	4.3
121.10110	42.7
123.08060	4.6
128.06255	3.3
129.06947	26.2
130.07785	3.8
131.08540	52.8
133.06477	11.1
133.10107	59.3
135.07993	9.8
135.11662	39.9
141.06966	9.6
142.07736	11.4
143.08537	31.8
144.09306	4.9
145.06424	3.2
145.10101	62.4
147.08043	6.0
147.11667	67.1
149.05867	2.9
149.09619	3.6
149.13268	21.5
151.11111	3.1
154.07797	3.1
155.08513	13.5
156.09389	2.5
157.06390	3.0
157.10092	40.6
159.08047	2.7
159.11670	53.1
161.05904	3.0
161.09575	5.7
161.13210	44.2
163.11189	4.7
165.58690	2.3
167.08502	5.9
169.10109	24.7
171.08080	2.7
171.11635	21.4
173.13223	15.8
175.07497	23.5
175.11156	52.5
175.14778	10.5
177.09137	3.6
177.12685	2.8
181.10048	6.0
182.10959	2.7
183.11687	20.6
185.09567	3.4
185.13199	22.3
187.11093	2.9
187.14772	10.0
189.09033	3.1
193.10045	3.1
193.12198	5.1
195.11649	10.3
197.09645	3.0
197.13255	14.0
199.14705	12.1
201.09019	2.6
201.16309	4.8
203.10619	55.4
204.56155	2.9
205.80199	2.5
209.13191	5.6
211.14751	3.4
213.16295	4.8
217.12155	4.5
219.11565	3.9
221.11662	62.4
223.14723	10.3
225.16409	3.4
229.12103	5.5
238.72331	2.5
247.61731	2.7
253.19395	5.2
255.20959	21.8
257.15192	4.0
265.19373	3.4
277.19449	4.6
279.18185	2.6
279.21063	20.7
293.18982	2.5
311.23630	3.9
321.18347	24.7
321.21915	7.7
339.19302	16.9
339.23071	56.1
344.79364	2.7
357.20325	12.7
357.24197	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	357.2422
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
55.01872	2.0
55.05507	15.4
57.05212	1.7
65.03948	2.7
67.05496	37.4
67.07145	2.1
69.03416	4.3
69.07050	13.1
71.04974	2.6
79.05482	40.2
81.03410	5.1
81.07037	60.0
83.04958	2.8
83.08596	9.0
85.02900	2.7
85.06529	25.2
91.04115	1.6
91.05458	55.4
91.31190	1.9
93.07026	72.8
95.04940	9.1
95.08585	70.4
95.09182	3.3
97.06505	3.6
102.80983	2.2
105.07009	87.8
105.32767	2.6
107.04956	3.4
107.08589	58.1
109.06505	9.5
109.10163	25.7
111.04417	13.0
111.14014	2.2
115.05431	2.5
117.07009	21.7
117.28080	2.1
119.04939	3.3
119.08562	65.0
121.06509	5.1
121.10130	44.0
128.06271	2.9
129.06984	20.6
131.08543	48.7
133.06447	5.2
133.10107	50.1
135.08049	10.8
135.11676	35.2
137.05829	2.3
141.06943	7.5
142.07744	7.6
143.08537	31.3
144.09315	2.0
145.02878	2.8
145.10098	56.9
145.52013	2.3
147.08055	12.9
147.11678	63.9
149.13234	24.3
155.08571	13.5
157.10097	33.5
159.08000	4.4
159.10519	3.5
159.11681	47.3
161.05936	3.0
161.09625	8.1
161.13231	51.3
165.09073	3.3
167.08527	5.2
169.10028	14.5
171.08017	2.6
171.11670	20.3
173.13240	12.0
175.07497	15.6
175.11154	50.1
175.14754	16.0
177.05376	3.7
177.09044	3.1
181.10133	2.7
183.11736	14.2
185.09654	4.1
185.13235	18.0
187.14749	14.2
191.10716	3.7
193.12329	2.9
195.11700	8.4
197.13248	17.1
199.14815	11.0
201.16377	2.4
203.10638	63.2
209.13245	4.1
211.14821	4.8
213.16307	4.6
215.17953	2.2
221.11661	92.1
221.13667	3.9
223.14795	3.7
225.16359	4.2
227.17993	3.0
229.12256	5.0
231.13841	2.9
231.55498	2.9
237.16377	3.4
239.17996	3.1
251.17784	2.4
253.19534	8.2
255.20967	28.6
257.15302	3.2
265.15921	3.2
277.19302	2.2
279.21033	23.7
293.22504	3.8
297.22061	2.3
311.23697	7.4
321.18457	10.7
321.22070	7.7
339.19482	8.5
339.23117	64.2
343.25760	2.1
357.20496	8.6
357.24222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2419
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
53.27715	0.9
55.01862	1.3
55.05072	1.1
55.05497	6.9
62.64051	1.0
64.33910	1.1
65.03917	2.5
66.60062	1.1
67.05492	27.2
68.33362	1.2
69.03406	1.5
69.07047	3.1
70.82946	1.5
79.05472	20.3
81.07036	24.3
83.04971	9.1
83.08591	5.4
85.02896	8.8
85.06508	2.0
91.05452	21.2
93.03405	1.8
93.07018	29.4
95.04918	4.6
95.08587	22.1
97.06499	1.5
97.43200	1.7
105.07008	32.5
107.04893	1.5
107.08574	27.5
109.06512	2.2
109.10150	11.6
110.30401	1.2
111.04433	55.1
117.06991	11.8
119.08560	29.8
121.06554	1.6
121.10139	14.8
123.07994	1.6
125.05951	8.3
129.06993	3.0
131.08546	18.2
133.10118	31.5
135.08076	1.5
135.11670	13.9
137.05920	1.5
143.08517	10.2
145.10085	25.5
147.08008	1.4
147.11658	14.4
149.13252	2.2
151.11150	2.9
153.05511	2.0
155.08513	5.4
157.10094	10.6
159.11681	17.2
161.09593	1.5
161.13210	15.3
163.11127	1.7
163.14728	1.7
169.10089	6.1
171.11646	3.2
173.13217	6.6
175.14824	2.0
177.09070	2.1
181.09918	1.5
183.11613	7.0
185.13243	8.3
187.14789	3.1
192.61607	1.4
195.11703	2.8
197.13199	7.4
199.14749	6.9
201.16277	2.5
203.10603	1.4
205.12190	1.6
209.13171	2.0
211.14888	2.3
213.12653	2.3
213.16301	2.1
213.67476	1.4
215.17953	1.4
223.14847	1.5
229.12097	2.4
230.41489	1.3
231.13713	1.5
237.16386	1.8
243.13855	1.3
251.17853	1.5
257.15359	2.5
279.21066	2.2
293.22592	7.6
311.23724	1.5
321.21970	6.3
339.23154	36.9
357.17706	27.3
357.24146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1179
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
53.03941	0.4
54.81709	0.2
55.01862	0.2
57.03428	0.3
61.61368	0.2
62.01546	0.2
63.02348	0.5
64.33556	0.2
69.03427	1.7
73.17350	0.2
76.09518	0.2
79.05445	0.3
80.35213	0.3
81.03384	3.4
81.07050	0.2
83.28073	0.2
85.02893	2.5
89.03897	9.9
91.05457	1.1
92.08675	0.3
93.07012	0.4
97.02861	0.4
98.97560	0.2
103.05468	0.3
105.07024	0.3
106.04135	1.1
109.02868	1.0
110.97473	0.2
117.03360	40.9
127.03909	0.3
134.03616	2.5
135.04430	2.9
145.02826	90.4
146.03117	0.3
147.04349	0.4
149.05959	14.8
163.03839	1.5
177.05434	100.0
178.05836	0.4
186.05479	0.3
195.06430	1.2
198.07220	0.2
209.45502	0.3
289.44043	0.3
321.09540	2.3
339.10623	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	356.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81352	3.8
54.98034	3.4
60.70156	2.9
70.95860	5.0
75.26286	3.4
80.73814	3.5
82.76653	3.5
92.22249	3.6
98.97594	6.0
106.02718	3.9
116.98614	7.9
118.16253	3.8
150.96841	4.7
156.67078	3.6
184.51050	3.6
188.69130	3.9
190.94855	6.2
208.96011	27.4
224.95416	3.9
225.29007	3.9
226.20970	3.6
232.95967	30.8
250.96887	60.1
256.96039	4.6
274.96970	100.0
292.98050	62.0
301.00809	3.8
333.98309	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	357.1175
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
51.78894	0.5
57.03427	0.5
61.77261	0.5
69.03410	1.3
72.15159	0.7
81.03381	3.6
85.02880	3.1
89.03893	10.8
91.05442	0.7
92.08923	3.4
95.08560	1.0
100.53740	0.5
105.03368	4.0
117.03352	40.7
134.03592	3.0
135.04382	1.4
140.78545	0.6
145.02821	93.2
149.05959	16.5
162.03148	0.7
177.05426	100.0
195.06425	0.7
321.09589	1.5
339.10443	0.6
381.69138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3517
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
54.82018	0.4
55.05501	17.7
57.07058	3.5
58.06580	0.7
62.06073	0.6
64.33636	0.4
67.05493	1.6
69.07049	13.0
70.06200	0.9
70.06572	22.7
71.08591	0.5
73.89327	0.4
74.06052	0.6
81.07022	0.9
83.08588	5.6
88.07610	25.0
92.09322	0.9
95.08612	0.7
97.10130	1.9
102.09166	5.8
106.08654	12.3
137.54895	0.5
176.32033	0.5
288.17105	0.5
293.74387	0.5
312.32666	0.9
321.87564	0.4
338.34073	8.8
356.35138	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	356.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15155	0.6
53.00283	2.9
57.03424	12.9
59.64187	0.7
67.05471	1.1
69.03401	2.9
71.01318	1.5
71.04972	45.1
73.02886	4.6
75.04451	1.6
76.56104	0.7
83.04999	0.7
85.02888	16.0
85.06525	0.7
89.03889	2.9
89.06009	15.6
90.04237	1.3
92.09319	1.5
95.01297	10.7
95.08579	10.4
97.02861	1.7
97.06460	0.8
99.04402	0.7
103.03910	0.9
108.05224	0.9
113.02335	6.2
113.09653	7.0
116.98595	0.8
117.03328	3.5
118.03676	1.5
119.04908	1.7
127.11186	0.8
130.06479	1.0
131.03366	4.5
131.42932	0.7
132.04482	0.8
135.04367	7.5
136.04727	4.0
137.58644	0.8
141.01797	19.7
141.09088	1.7
145.02826	3.4
145.08568	100.0
146.03140	3.2
146.05977	3.8
146.31528	0.8
147.04373	6.5
148.07632	1.1
159.02739	2.4
159.10101	1.3
163.03877	21.1
163.09612	48.0
164.04184	19.6
176.06987	1.1
177.11218	1.6
303.10489	1.5
321.11658	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	356.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.0
53.77481	0.5
55.05495	0.7
55.47620	0.6
56.63306	0.7
57.03176	0.9
57.03429	14.4
60.02260	0.6
60.75546	0.7
67.05477	0.9
69.03409	2.9
71.01340	1.7
71.04979	38.9
73.02895	3.5
75.04454	1.4
75.34222	0.7
83.01363	0.7
85.02898	17.3
85.06521	0.7
89.03909	3.0
89.06022	15.1
92.09126	2.9
95.01312	11.4
95.08595	6.5
97.02843	2.8
99.00748	0.7
101.02346	0.9
103.03936	1.0
113.02337	6.1
113.09641	3.1
116.91922	0.7
117.03349	1.7
118.03679	1.3
119.04884	0.8
131.03348	3.0
135.04390	8.4
135.12576	0.8
136.04724	4.6
141.01804	20.8
145.02838	3.8
145.08578	100.0
146.03152	4.0
147.04366	1.7
148.07550	1.0
159.02811	1.2
163.03876	22.3
163.09621	45.2
164.04208	24.1
177.05452	0.7
177.11212	2.9
303.10825	1.1
321.11832	3.5
325.72137	0.7
329.29617	0.7
342.51419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03939	0.7
53.08663	0.5
54.81600	0.6
55.01858	2.8
55.05500	30.4
57.03419	7.4
57.07067	13.6
65.03922	2.5
65.93345	0.5
67.05489	93.7
69.03380	0.6
69.07052	32.8
71.04967	0.9
71.08611	5.6
75.04444	1.1
79.05470	27.9
81.07031	100.0
83.04959	2.6
83.08598	22.1
85.06517	3.4
85.10181	1.0
91.05451	20.6
91.77965	0.7
93.07015	30.2
95.04942	1.5
95.08578	83.2
96.47295	0.7
97.06503	4.3
97.10143	11.0
98.97564	1.4
99.08070	1.4
103.89374	0.6
105.07010	14.2
107.08578	17.4
109.06454	0.7
109.10139	34.7
111.08054	2.4
111.11730	2.4
113.09656	0.9
116.98586	1.6
119.08551	12.7
121.10113	14.4
123.11679	14.6
129.05466	0.7
133.10109	13.7
134.99678	1.2
135.11649	8.3
137.09547	0.8
137.13208	5.8
141.12730	0.9
147.11665	7.9
149.13206	5.0
151.14813	1.6
161.13232	10.8
163.03885	1.5
163.14813	6.0
165.16354	1.4
175.14792	5.0
177.16293	0.8
179.17947	1.4
179.42178	0.6
182.56718	0.6
189.16341	1.3
236.86992	0.7
245.22574	19.7
248.89873	1.4
263.23618	22.0
263.26193	1.1
290.94629	2.9
331.55750	0.7
337.27335	18.4
354.40811	1.1
355.28284	5.2
355.41168	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	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05502	26.1
56.83115	1.0
57.03425	5.2
57.07067	10.6
67.05488	87.8
69.07052	34.6
71.04977	1.4
71.08624	3.0
73.68441	1.3
77.94675	1.3
79.05470	25.2
81.07036	100.0
83.08597	15.5
88.07613	1.7
91.05453	20.5
92.09190	3.1
93.07024	30.0
95.04934	2.2
95.08580	78.5
97.06507	8.3
97.10132	10.3
98.97557	2.2
105.07013	16.0
107.08558	20.2
109.10130	37.5
110.63910	1.3
111.08077	2.2
111.11700	2.5
113.09650	1.5
119.08524	11.4
121.10128	21.2
123.11698	16.3
123.88532	1.2
133.10103	14.8
135.04422	1.3
135.11681	8.5
137.09628	2.2
137.13243	6.9
147.11685	11.1
149.13278	5.6
151.14781	2.2
161.13190	10.6
163.03932	2.3
163.14810	7.0
165.16315	1.7
175.14801	8.4
179.17943	1.9
193.30513	1.3
213.23172	1.3
245.22591	25.7
263.23669	25.8
270.93332	1.3
297.11423	1.3
337.27350	18.7
354.33383	1.8
355.28378	2.7
355.33917	6.9
356.35205	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03920	1.1
55.01853	1.5
55.05271	1.5
55.05504	31.0
57.03418	7.4
57.07062	13.4
62.29762	1.2
67.05489	93.7
69.06714	1.6
69.07053	32.3
69.69637	1.2
71.04993	1.2
71.08617	2.1
79.05473	26.7
81.07036	100.0
83.04960	1.4
83.08598	22.3
85.06523	2.2
85.10136	1.3
91.05450	19.6
92.08593	1.8
92.09126	6.7
93.06490	1.6
93.07025	28.7
95.04980	1.4
95.08581	82.5
97.06509	6.8
97.10163	8.7
105.07023	15.7
107.08576	18.1
109.10143	39.0
111.08076	1.9
119.08561	16.8
121.10126	15.0
123.11687	14.0
133.09219	1.6
133.10118	15.2
135.11696	8.6
137.09604	1.5
137.13220	5.4
147.11684	9.7
149.13185	7.1
151.14777	2.6
161.13231	8.5
163.14757	6.2
165.16316	3.1
175.14801	8.0
179.17871	2.1
189.16277	2.1
245.22565	26.0
261.24521	1.2
263.23615	32.5
308.95599	1.5
337.27280	23.2
355.28580	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.55100	0.7
55.01861	1.0
55.05504	33.1
57.03424	5.2
57.07060	9.5
65.03923	1.7
67.05490	81.9
69.07053	32.3
71.08620	3.7
75.04425	1.0
77.92476	0.8
79.05473	27.2
81.07034	100.0
82.26952	0.7
83.05000	1.0
83.08604	17.7
85.06538	1.4
85.10153	1.0
85.69474	0.8
91.05461	20.3
91.06013	1.4
93.07017	26.0
93.30764	0.8
95.04939	3.4
95.08582	77.2
97.06503	6.0
97.10143	9.3
99.08045	1.6
105.07008	13.8
107.08572	15.5
109.10139	35.3
111.08074	3.5
111.11685	1.7
119.08554	14.7
121.03542	0.9
121.10133	18.6
123.08065	1.1
123.11682	12.5
124.12426	0.9
133.10097	13.9
135.11682	8.9
137.13242	6.2
141.44479	0.9
147.11679	7.6
149.13213	7.1
151.14778	1.5
161.13214	7.9
163.14752	8.3
165.16405	3.7
175.14781	6.4
177.16496	1.0
179.17931	1.6
189.16399	1.9
217.19211	1.1
221.03835	0.9
245.22607	21.5
263.23666	25.6
337.27304	23.3
351.92139	1.2
354.33359	1.1
355.28677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18198	2.4
53.09690	2.0
55.05496	14.4
57.07067	5.7
58.36195	2.5
59.46699	2.5
67.05489	47.6
69.07062	14.6
79.05466	12.7
81.07034	47.5
83.08614	4.0
91.05464	11.3
92.08677	5.2
92.09254	7.8
93.07010	16.4
95.08580	43.9
97.06501	3.4
97.10060	2.6
98.97606	3.4
99.51210	2.4
105.06954	3.0
107.08565	4.0
107.84529	2.4
109.10152	16.9
110.60512	3.2
113.60365	3.2
119.08569	5.4
121.10097	4.8
141.56377	3.1
158.26573	3.2
161.13211	3.4
163.14835	3.5
175.14735	3.5
200.10736	2.9
245.22607	6.6
248.89867	13.8
263.23700	14.0
337.27112	3.7
342.54507	3.2
355.28110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
53.49362	1.7
55.05512	13.3
59.71445	2.3
65.03916	3.6
67.05494	30.1
69.03429	2.7
69.07051	11.7
70.56752	1.7
74.99304	1.6
76.56361	1.7
79.05473	46.1
81.03416	8.1
81.06594	2.5
81.07044	52.5
83.08593	7.8
85.02859	2.0
89.03909	3.2
91.05457	45.1
93.07024	63.8
95.04955	12.6
95.08585	46.7
95.93241	1.8
97.02883	11.8
97.10150	2.1
103.05445	2.1
105.07014	100.0
107.04939	4.1
107.08586	44.5
109.06505	2.7
109.10155	30.6
111.04424	2.4
114.70738	2.0
117.03379	2.5
117.06989	18.4
119.08564	53.5
121.06503	3.5
121.10127	36.9
125.02332	42.4
128.06174	3.4
129.07005	14.6
130.07767	2.2
131.08545	29.3
133.10117	37.8
135.04395	10.3
135.11671	29.0
137.05942	3.3
139.03911	10.9
141.06972	7.6
142.07764	8.4
143.08553	24.8
145.02823	7.4
145.06454	2.9
145.10120	28.8
147.08044	4.1
147.11665	25.8
149.05934	4.6
149.13300	9.0
153.05463	4.1
153.06720	1.9
154.07768	3.8
155.08527	16.6
157.10092	22.5
159.08006	3.1
159.11650	35.8
161.09653	3.0
161.13174	23.4
163.03848	29.8
167.07082	2.8
167.08504	4.0
168.09358	4.5
169.10060	14.3
171.11681	9.9
173.13280	12.6
174.96230	2.1
175.07518	3.7
177.09094	2.9
181.10071	7.5
183.11720	13.4
185.09570	4.0
185.13264	4.7
185.26880	2.3
187.11118	2.2
187.14812	4.2
193.10101	2.8
195.11739	6.9
197.13281	3.6
199.14795	3.0
201.09154	2.5
201.16428	3.3
203.10661	8.5
209.13237	4.1
211.14767	3.8
213.16344	2.6
215.17900	30.5
221.13326	2.8
229.12238	11.5
229.19472	20.8
235.14806	2.8
239.17960	2.5
247.13260	2.2
249.16301	2.2
255.13878	2.5
273.14548	2.3
277.19391	7.9
282.99091	2.1
291.20987	9.7
309.21881	7.6
319.20499	10.3
337.21576	40.3
355.22644	64.9
376.45154	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	355.2264
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.93184	1.7
51.14336	1.9
55.05495	7.8
56.96531	1.9
67.05488	9.1
67.57349	1.9
67.75978	2.0
69.07058	2.7
70.95738	1.9
72.73135	2.0
79.05471	12.6
81.07035	21.0
83.08611	3.0
91.05450	17.6
93.07012	13.9
95.08586	9.3
97.10135	1.9
98.97569	2.3
105.07004	20.3
107.08571	13.5
109.10139	10.5
110.31760	1.9
112.63755	2.0
113.73312	1.9
117.06998	3.2
119.08546	17.2
120.32389	2.0
121.10105	3.7
128.06190	3.2
129.06981	14.4
131.08542	16.3
133.06476	3.4
133.10133	8.5
135.04390	2.8
142.07747	3.9
143.08559	13.8
145.07930	2.0
145.10100	8.1
147.11618	4.3
155.08548	8.9
157.06529	2.5
157.10106	10.8
159.11678	4.9
161.13239	9.0
163.03867	16.8
168.09305	3.4
169.10109	9.6
173.13330	2.2
175.07498	23.9
176.08183	2.3
181.10130	3.4
183.11668	9.5
185.09593	2.3
185.13283	4.4
189.09030	2.4
213.09065	10.3
227.10623	24.2
229.12187	10.5
255.13777	8.2
255.27943	3.0
337.21487	35.0
355.22577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05500	3.7
65.03941	1.6
67.05481	16.9
69.07042	4.1
79.05473	32.0
81.07037	42.5
91.05457	43.6
91.15023	1.7
92.65089	2.1
93.07020	45.6
94.59362	1.8
95.04956	8.1
95.08575	27.0
97.06488	3.3
103.05429	2.7
103.66717	1.7
105.04501	1.6
105.07008	100.0
107.04942	10.5
107.08578	41.4
107.58774	1.5
109.06519	3.4
109.10158	8.6
115.05425	2.1
117.06983	22.9
119.08555	36.6
121.06502	2.6
121.10112	17.7
128.06184	4.5
129.06973	23.8
131.08534	61.1
133.06456	3.8
133.10100	31.0
135.08015	3.0
135.11691	2.5
137.05956	2.7
141.07001	4.4
142.07767	4.6
143.08525	36.5
144.09302	3.3
145.06427	3.1
145.08971	2.9
145.10109	67.2
147.11671	12.0
149.05949	2.5
155.08522	21.1
156.09282	2.5
157.10110	34.1
159.07999	3.0
159.11685	24.5
161.13216	28.9
167.08557	7.6
168.09189	2.3
169.10110	16.0
170.10883	3.1
171.11612	24.0
173.13287	9.1
181.10121	13.6
182.10912	3.7
183.11682	19.0
185.13237	39.1
186.14098	2.7
187.14771	99.9
193.10101	2.3
195.11743	9.3
196.12320	2.7
197.13167	16.3
199.14754	26.7
203.14299	10.7
207.11702	4.2
209.13170	7.0
211.11183	2.7
211.14774	7.0
213.16360	34.0
217.15865	3.2
221.13226	4.5
223.14832	4.6
229.12265	3.0
231.17393	32.6
235.14790	9.4
237.16321	2.5
243.13731	7.1
249.16304	8.7
251.17908	6.6
269.06833	2.1
276.18613	2.3
277.19601	2.7
281.15265	2.7
291.21027	22.8
309.22031	30.6
319.20496	7.3
337.21527	82.1
345.68893	2.0
355.22568	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.7
67.05499	22.8
69.07058	4.0
79.05480	22.1
81.07031	22.1
83.08594	7.8
85.02881	3.5
91.05458	35.2
93.07030	30.7
95.04948	4.0
95.08585	19.7
97.06490	2.2
105.03368	2.6
105.07014	43.0
107.08576	24.2
109.06538	2.1
109.10147	16.3
117.07007	11.5
119.08562	30.0
121.06518	3.2
121.10131	8.3
123.04385	2.2
125.05982	4.7
125.09499	2.9
128.06216	3.5
129.06955	18.6
130.07697	2.3
131.08537	30.8
133.06467	3.4
133.10120	15.4
135.11676	9.0
141.06975	8.4
142.07774	7.8
143.08553	22.7
145.10109	27.8
147.08025	10.4
147.11670	11.0
149.13242	8.5
155.08517	17.8
157.06453	3.3
157.10101	18.9
159.08093	2.5
159.11688	20.6
161.13187	14.3
165.06969	4.1
167.08569	8.2
169.10060	13.2
171.07945	3.0
171.11739	9.8
173.13258	8.2
175.07492	19.9
177.09172	2.5
181.10143	10.9
183.11658	19.2
185.09619	2.3
185.13235	11.9
187.14838	4.0
189.09055	3.3
195.11684	7.9
197.13148	7.2
199.14810	4.8
201.08965	2.6
201.16435	3.1
207.11665	3.7
209.09657	2.5
209.13309	4.6
211.11180	4.6
211.14659	3.1
213.16321	3.1
215.18062	2.4
221.13312	3.3
227.10635	16.2
229.12231	9.8
235.14752	3.5
237.16484	3.1
239.17769	2.5
241.12105	4.2
253.19508	3.2
255.13686	3.5
277.19415	3.0
281.15125	2.5
291.21036	8.3
308.47995	2.0
309.22098	8.7
319.20374	7.3
333.44885	2.1
336.38651	2.4
337.21582	71.4
355.22617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	7.6
66.36756	1.0
67.05487	25.0
69.07045	5.4
71.34661	1.2
79.05473	23.2
81.03369	1.8
81.07031	35.9
83.08600	7.4
85.02888	4.6
91.05455	39.2
92.09108	13.4
93.07022	35.3
94.41814	1.1
95.04932	7.9
95.08578	32.8
97.06487	5.5
105.03351	14.4
105.04504	1.4
105.07003	48.1
107.04887	4.4
107.08565	23.4
109.06514	2.4
109.10139	19.6
111.04417	1.4
111.08073	1.3
115.05435	4.9
117.07010	13.3
119.04931	1.3
119.08556	33.7
121.06480	9.1
121.10127	13.7
123.04391	5.2
125.05969	40.2
126.97636	1.1
128.06200	6.1
129.06973	21.4
130.07788	1.2
131.08536	31.4
133.06493	2.4
133.10098	17.7
135.07982	1.7
135.11671	11.4
137.05962	1.6
141.06972	7.4
142.07753	7.4
143.08536	26.5
144.09267	1.8
145.06435	4.8
145.10095	22.2
147.08025	6.7
147.11642	17.6
149.05945	2.0
149.13213	7.2
151.07602	1.2
153.05437	18.0
154.07739	1.6
155.07336	1.6
155.08525	15.1
156.09337	2.3
157.06493	1.5
157.10074	20.9
159.08017	2.7
159.11658	22.5
161.05966	1.5
161.09544	2.5
161.13200	14.6
163.03841	2.6
163.07516	2.4
165.05444	22.1
165.06938	5.4
166.07816	2.1
167.07294	1.3
167.08488	9.3
168.09294	5.9
169.10075	13.4
171.07999	5.1
171.11630	10.6
173.05896	1.6
173.09572	2.0
173.13213	8.3
175.07492	17.8
175.14684	1.3
179.08511	4.8
181.10094	13.9
182.10846	1.7
183.11664	16.8
185.09557	2.1
185.13266	9.8
187.07558	2.0
187.14778	5.3
189.09094	5.0
189.16357	11.3
193.10197	1.7
195.11636	12.2
197.09613	2.7
197.13234	5.9
199.11217	5.2
199.14806	7.4
201.09177	1.8
201.16367	7.0
207.11728	1.7
209.09569	4.9
209.13188	7.9
211.11134	6.0
211.14777	4.0
213.09073	1.3
213.12692	2.4
213.16380	2.5
215.14365	1.1
215.17921	7.5
221.13297	1.7
223.14772	2.1
225.12697	2.0
225.16348	2.2
227.10634	16.7
227.14287	1.9
229.12215	7.5
235.14793	2.6
237.12692	1.9
241.12238	5.7
243.13794	2.2
249.16278	4.1
253.19466	5.3
255.13675	6.3
277.19449	2.4
291.20966	6.5
295.20410	2.0
309.22031	8.5
319.20462	10.0
337.21545	64.6
355.22589	100.0
365.13077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
54.48739	1.4
55.01836	1.5
55.05495	7.4
67.05501	26.3
67.05853	2.3
69.03380	1.5
69.07047	6.3
79.05477	19.8
80.43142	1.7
81.07036	29.7
83.08589	3.9
85.02874	6.5
91.05467	32.5
92.64951	1.5
93.07027	31.7
95.04927	6.4
95.08597	21.0
99.40725	1.5
100.80585	1.6
105.07011	44.8
106.80659	1.5
107.08596	28.0
109.06490	2.4
109.10138	12.6
115.05441	3.8
117.07023	13.8
119.08557	34.8
120.49906	1.6
121.06474	3.3
121.10139	12.5
125.05994	7.1
129.06981	19.5
131.08539	30.1
133.10124	14.3
135.08043	2.3
135.11673	10.4
137.06029	1.6
141.06982	6.3
142.07765	10.6
143.08540	25.1
145.10115	22.7
146.10915	1.7
147.08038	9.3
147.11699	21.1
149.05937	2.2
149.13257	7.1
153.07021	2.2
155.08499	15.4
157.06494	2.2
157.10097	22.1
159.08018	3.3
159.10719	1.5
159.11708	23.5
161.05977	1.9
161.13242	20.8
163.07513	3.7
165.06978	2.5
166.07668	2.6
167.08501	7.2
168.09355	6.6
169.10098	13.1
171.07872	2.0
171.11664	9.3
173.09569	3.0
173.13214	8.1
175.07524	25.1
175.14803	1.6
177.09052	1.9
179.08517	2.3
180.09361	2.0
181.10132	11.4
182.10838	3.0
183.11629	15.1
185.13194	7.3
187.14749	7.9
189.09010	2.3
193.10051	3.0
195.11731	12.1
197.09491	1.9
197.13261	11.6
199.11168	2.5
199.14798	7.2
201.09192	2.5
201.16418	2.4
207.11617	2.2
209.09592	3.7
209.13200	9.1
211.14864	2.5
213.09100	3.8
213.16405	2.8
215.10583	2.0
221.13272	5.5
223.14822	2.9
227.10620	13.0
229.12201	10.5
235.14838	6.5
241.12225	8.5
243.13696	2.0
251.17822	2.7
253.19476	8.5
255.13751	7.2
277.19470	3.0
281.22543	2.0
291.20953	7.5
301.19217	1.7
309.22089	6.4
319.20630	7.0
337.17728	3.3
337.21545	70.5
355.22601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	14.5
56.96555	5.3
65.03912	3.2
67.05491	51.4
69.07054	13.4
71.17211	3.1
79.05484	40.6
81.03395	12.4
81.07039	62.3
83.08592	6.6
91.05461	52.8
93.07026	79.6
95.04936	7.2
95.08576	68.3
97.02861	12.7
98.97537	16.6
105.07007	100.0
107.08569	55.0
109.02823	3.7
109.10132	36.6
109.59542	3.2
111.04414	4.8
116.98626	3.3
117.03365	18.6
117.07003	19.2
119.08547	67.3
121.06471	6.4
121.10121	42.2
123.11666	3.5
125.02335	29.0
128.06148	4.7
129.06976	21.8
131.08530	40.8
133.10088	53.2
135.04422	5.9
135.11662	43.0
139.03868	7.2
141.06963	5.0
142.07776	4.3
143.08575	19.1
145.02838	39.4
145.10097	41.1
147.08009	6.3
147.11670	40.6
149.05984	5.9
149.13228	13.9
153.05441	4.6
155.08537	17.6
157.10088	28.3
159.11630	35.0
161.13222	41.9
163.03821	5.9
168.09311	5.3
169.10071	20.7
171.11615	12.2
173.13237	15.7
175.07532	6.1
177.05402	31.8
181.10054	6.7
183.11714	18.4
185.13245	7.0
187.14815	4.7
195.11734	6.0
197.13167	4.8
199.14737	3.9
201.09055	3.3
201.12628	4.8
203.10631	5.9
209.13301	4.2
213.16379	3.3
215.17931	50.6
229.12167	6.7
229.19424	22.4
235.14822	6.9
239.17775	3.7
243.13747	3.5
251.17918	3.4
263.17838	4.0
265.19589	4.1
277.19403	14.2
277.96188	3.3
291.20990	6.7
295.16562	3.4
309.21988	6.4
311.20084	4.6
319.20389	3.7
337.21552	59.2
355.22467	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01861	1.4
55.05487	8.2
55.08704	1.2
61.28038	1.3
62.75980	1.4
66.05072	1.3
66.34712	1.2
67.05173	1.8
67.05489	22.6
69.07040	5.9
79.05473	23.0
81.07039	30.2
83.08588	7.8
85.02870	1.8
91.05453	40.3
92.08830	8.4
93.07020	34.5
95.04917	3.5
95.08580	20.5
105.07012	51.1
107.04938	1.5
107.08587	24.9
109.06477	3.1
109.10133	16.2
115.05401	3.0
117.07007	17.7
119.08549	37.4
121.06441	1.8
121.10099	11.0
123.64899	1.5
125.02308	1.6
125.05969	6.7
128.06192	7.8
128.52904	1.5
129.06978	24.0
130.07674	2.2
131.08542	32.4
133.06401	5.5
133.10091	18.3
135.07977	1.8
135.11673	11.3
137.09648	1.8
141.05521	1.6
141.06978	6.8
142.07767	3.6
143.08562	25.3
145.06497	3.1
145.10115	23.0
147.07974	6.5
147.11684	17.6
149.13277	2.4
153.05394	2.4
155.08551	14.4
156.09290	2.6
157.06477	3.1
157.10114	19.6
159.08040	1.8
159.11664	22.3
161.09601	2.4
161.13240	17.8
163.03804	3.3
163.07552	3.0
165.06987	3.5
167.08517	7.1
168.09233	3.7
169.10052	16.3
171.07997	3.5
171.11597	9.5
173.09650	2.3
173.13191	7.3
175.07503	16.4
177.09038	2.0
180.09387	1.8
181.10107	11.1
183.11652	21.2
185.09549	2.4
185.13190	9.1
187.07451	2.8
187.14777	1.9
189.09053	3.0
193.10117	3.2
195.11627	8.9
197.13225	10.3
199.14806	6.8
201.09088	2.8
201.16412	3.3
203.10579	2.2
206.10876	2.3
207.11687	3.5
209.09654	2.9
209.13231	8.4
211.11041	1.9
211.14804	6.3
213.09042	2.5
213.12608	2.2
213.16342	2.9
215.10533	2.7
215.17989	3.3
221.13240	2.9
223.14815	2.5
227.10725	12.0
229.12222	9.4
235.14807	2.0
237.12840	1.5
241.12190	7.3
243.13686	3.3
249.16263	1.6
251.17882	5.5
253.19461	5.8
255.13718	7.6
269.15311	1.7
277.19394	7.4
291.21051	7.8
291.70914	1.7
293.22348	1.6
309.22098	5.7
319.20416	6.8
337.21555	71.2
337.25684	2.5
355.22574	100.0
355.26990	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	355.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63400	1.0
54.81750	1.0
55.01866	2.1
55.05491	4.9
64.53391	0.9
65.61323	0.9
67.05500	13.0
69.03393	2.0
69.07048	1.9
79.05476	40.3
79.65574	0.9
81.07040	19.2
83.04967	4.5
83.37387	1.2
84.70358	1.1
86.53674	1.0
87.64775	1.0
91.04948	1.9
91.05465	32.1
92.09476	1.0
93.07017	20.9
95.04958	2.7
95.08586	15.6
97.06528	2.0
105.07011	64.7
107.04933	5.7
107.08577	100.0
109.06492	6.6
109.10122	4.0
115.05418	2.1
117.07006	22.1
119.08562	22.9
121.06469	5.1
121.10099	9.7
123.07993	1.9
128.06212	4.6
128.57065	1.1
129.06984	11.4
130.07736	7.4
131.08545	54.9
133.06447	1.9
133.10100	19.2
134.82809	1.0
135.07994	2.0
135.11693	5.0
138.85634	1.0
141.06960	1.9
142.07777	4.9
143.08556	18.5
144.09323	1.2
145.06482	2.3
145.10109	83.9
147.08060	2.6
147.11687	18.8
149.05974	2.2
149.09633	8.6
149.13155	1.8
155.08495	7.5
157.10115	13.7
158.07288	5.4
159.08011	7.4
159.11661	26.0
161.09630	8.8
161.13177	2.5
163.03821	1.0
163.11176	2.4
167.08582	1.3
169.10080	6.4
171.08038	1.8
171.11678	6.8
173.09593	44.8
173.13222	5.2
175.07600	1.2
175.11090	12.0
177.12750	6.2
181.10059	1.4
183.11612	5.3
185.09642	1.2
185.13194	1.7
187.11142	5.8
189.12671	2.1
191.10677	12.1
191.14246	6.4
195.11638	2.7
197.13232	5.0
199.14731	2.2
201.12711	2.2
203.10690	1.6
209.13225	2.6
211.11177	1.8
211.14851	1.4
213.12787	1.3
215.10677	2.3
223.14862	1.5
229.12212	2.3
235.14690	2.0
237.12494	1.1
241.12151	1.3
243.13939	1.3
249.16209	1.3
253.19482	16.8
255.13737	1.8
271.20428	3.9
277.19269	2.3
291.21085	2.7
295.20578	1.5
309.22131	4.3
319.20450	11.3
337.21573	35.2
355.22577	36.3
369.93799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05493	10.9
59.28229	1.2
62.33743	1.1
67.05484	18.9
69.03400	2.2
69.07047	7.4
71.05000	1.2
79.05466	18.5
81.07030	26.9
83.08604	8.6
84.64532	1.2
85.02868	2.3
91.05453	26.2
93.07014	24.2
95.04921	2.4
95.08567	21.5
95.58356	1.3
97.06495	1.9
98.97516	2.2
103.05427	1.4
105.07010	41.6
105.80674	1.3
107.04909	1.6
107.08569	17.6
109.06477	2.6
109.10145	13.6
115.05441	1.4
117.03316	1.2
117.06964	13.2
119.04835	1.3
119.08562	29.6
120.08070	5.1
121.06501	2.9
121.10117	11.0
125.02338	1.2
125.05976	4.9
128.06197	6.3
129.06956	17.2
130.07748	1.9
131.08530	24.1
133.06479	3.0
133.10094	14.4
135.04425	1.9
135.11659	11.7
137.05911	1.4
139.07562	1.6
141.06914	2.8
142.07762	7.3
143.08531	19.7
144.09355	1.6
145.10081	18.4
147.08026	9.2
147.11639	15.3
149.13234	7.8
153.05507	2.1
154.07745	2.8
155.08472	11.8
156.09218	1.9
157.06439	2.4
157.10094	17.8
159.08060	2.5
159.11635	19.7
161.05916	1.6
161.09517	1.7
161.13188	13.0
163.03879	8.0
163.07530	2.1
165.06874	1.4
167.08495	5.8
168.09268	3.0
169.10075	13.1
171.11633	11.5
173.13187	4.9
175.07489	21.5
175.14789	1.7
176.08252	1.7
177.09103	2.9
181.10030	9.9
182.10860	1.5
183.11667	16.4
185.09636	1.9
185.13211	7.1
187.07480	2.0
187.14859	2.3
188.38005	1.1
189.09065	5.0
189.16257	1.2
191.10649	1.3
193.10149	1.7
195.11646	8.5
197.13229	8.2
199.11134	1.4
199.14775	6.1
201.09108	2.5
201.16403	2.6
203.10651	1.7
207.11623	1.5
209.13210	7.9
211.11157	5.6
211.14728	5.3
213.09073	7.8
213.16263	2.5
215.10617	1.7
215.17905	2.5
221.13185	2.6
223.14703	1.7
225.12740	1.6
227.10597	16.9
227.14192	1.5
227.17801	1.3
229.12106	8.7
235.14761	5.2
237.12680	1.8
237.16214	2.3
239.76588	1.3
241.12144	5.1
243.13785	2.6
249.16245	2.5
251.17834	2.3
253.19463	1.9
255.13673	8.9
269.15088	1.8
277.19464	6.7
281.15332	1.3
291.21063	5.9
309.22122	5.5
319.20432	5.8
337.21548	66.6
355.22583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
54.81684	1.5
55.05506	9.7
56.96559	2.0
62.87801	1.0
64.95237	0.9
65.03903	1.5
67.05491	17.7
69.03411	4.3
69.07065	12.8
71.04956	1.2
79.05470	15.1
81.07035	33.7
83.04951	1.2
83.08598	8.9
85.02889	5.3
89.03918	1.1
91.04943	1.7
91.05457	25.8
91.44865	1.1
93.07027	23.8
95.04930	2.0
95.08586	21.4
97.02858	1.6
97.06477	1.1
97.10117	1.3
98.97565	8.0
105.07011	28.5
107.08574	17.0
109.06497	1.8
109.10125	13.5
115.05422	2.5
116.98597	5.2
117.06989	9.2
119.08548	22.8
121.06482	1.8
121.10133	8.0
122.87978	1.0
123.08038	1.7
123.11658	1.8
128.06192	5.1
129.06970	18.1
130.07765	1.7
131.08540	20.8
133.06483	2.6
133.10100	9.3
134.99670	1.4
135.04379	5.1
135.11664	4.6
137.05934	2.5
141.06970	5.8
142.07780	6.0
143.08543	18.5
145.02826	1.9
145.06429	1.3
145.10109	15.0
147.08012	4.6
147.11678	9.1
149.13235	6.1
152.06139	1.2
153.07004	2.1
154.07729	1.3
155.08522	18.1
156.09259	1.6
157.06445	2.4
157.10086	15.8
158.41838	1.0
159.08110	1.3
159.11670	11.1
161.05965	2.5
161.09547	1.6
161.13214	11.3
163.03880	14.3
163.07515	1.4
165.06956	6.6
166.07722	1.9
167.08534	6.0
168.09297	5.8
169.10046	11.2
171.07950	3.6
171.11684	5.3
173.05966	1.4
173.09642	1.3
173.13208	2.1
175.07481	20.4
175.08685	1.4
175.11107	1.6
175.14783	1.9
176.08250	1.3
177.00668	2.4
177.09056	1.9
178.07741	1.4
179.08525	2.1
181.10098	9.2
183.08060	2.0
183.11600	15.3
184.12341	1.2
185.09616	4.6
185.13208	6.5
187.07610	1.2
187.11230	1.4
187.14771	1.9
189.09077	5.1
192.09216	1.2
193.10103	4.9
194.10860	1.0
195.07852	1.0
195.11688	6.3
197.09595	2.0
197.13208	6.1
199.11176	1.3
199.14838	2.3
200.04341	1.5
201.05434	1.2
201.09093	6.7
205.10078	1.2
207.11678	1.9
209.09496	1.6
209.13194	2.6
211.07512	6.6
211.11081	2.3
213.09123	12.6
213.12585	1.2
215.10661	2.5
217.10239	1.1
218.91914	1.1
219.01755	1.7
221.13162	4.2
223.14758	2.1
225.09100	1.8
227.10611	24.1
229.08658	1.2
229.12192	12.7
230.12946	1.0
230.87274	1.0
233.13208	1.7
234.06680	1.4
235.14778	1.6
237.02673	5.1
237.16382	1.1
241.12189	7.3
243.13750	1.3
255.13754	6.5
267.13806	4.1
277.19577	5.1
279.03793	2.1
279.13882	1.5
319.16818	4.2
319.20428	1.6
334.15332	2.1
337.10233	1.2
337.17889	4.0
337.21518	33.8
355.18793	18.5
355.22629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.05500	16.9
56.96537	3.3
57.03425	2.3
57.89639	1.4
62.86435	1.2
63.53671	1.4
65.03914	2.0
67.05486	32.8
69.03405	3.0
69.07050	13.2
71.04978	1.5
79.05470	41.0
81.03402	7.5
81.07030	59.4
83.04966	2.7
83.08595	7.0
85.02872	6.6
91.05454	42.7
93.07018	66.2
95.04925	13.7
95.08011	2.6
95.08584	58.8
97.02853	14.0
97.06505	1.6
97.10133	3.0
98.97541	9.5
105.07008	100.0
107.04971	3.5
107.08566	49.1
109.06495	3.3
109.10130	25.7
111.04405	2.0
115.05436	6.5
116.98591	4.1
117.03376	2.3
117.07006	21.1
119.08553	56.7
121.06522	3.6
121.10122	35.2
123.04363	2.7
123.11690	3.0
125.02328	39.1
125.06011	3.3
127.03889	2.1
128.06180	6.9
129.06964	17.8
131.04913	1.8
131.08533	42.5
133.06445	6.7
133.10103	38.1
135.04358	8.6
135.11650	29.4
139.03876	10.1
141.06975	7.5
142.07753	10.2
143.08533	26.0
144.09300	2.5
145.02821	3.5
145.06494	2.0
145.10088	33.6
147.08012	10.4
147.11671	29.3
149.05908	2.0
149.13219	14.9
153.05435	2.3
154.07726	2.0
155.08563	17.0
156.09299	2.8
157.10081	23.8
158.99583	2.1
159.08012	3.7
159.11658	35.6
161.01187	1.9
161.09634	2.2
161.13210	28.6
163.03867	26.9
163.07440	2.5
167.08546	3.5
168.09320	4.0
169.10106	10.1
171.08031	2.6
171.11696	13.5
173.13255	13.2
175.07474	7.4
175.14702	2.9
177.00645	3.6
177.09106	3.5
179.08487	1.7
181.10081	4.1
183.11620	17.0
185.09470	4.9
185.13229	12.8
187.11183	3.0
187.14784	3.1
195.11664	8.7
197.13240	7.0
199.11163	2.3
199.14851	3.4
201.12755	2.9
203.10596	4.1
207.11710	2.6
209.13171	5.9
211.11212	2.7
211.14864	2.5
213.16431	2.8
215.10648	3.6
215.17856	27.6
219.01755	3.7
221.13155	4.0
223.14653	2.4
225.16371	3.5
227.10666	8.0
229.12193	12.1
229.19476	22.7
235.14795	2.1
241.12225	2.4
241.28355	1.7
243.13702	2.7
253.19485	2.9
255.13663	3.4
265.19492	2.5
276.85477	1.9
277.19379	3.2
291.21094	7.6
299.16309	2.6
309.21985	4.0
311.20096	1.8
319.20547	6.7
337.21506	51.2
355.22617	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62752	1.7
55.05499	15.3
57.03416	2.5
67.05493	38.4
69.03390	2.5
69.07037	10.8
71.04917	1.9
79.05475	43.5
81.03389	8.8
81.07037	50.8
82.04951	2.0
83.08607	11.6
85.02902	2.6
91.05460	47.0
92.09321	5.4
93.07022	80.8
95.04947	9.3
95.08578	58.1
97.02853	9.7
103.05450	3.6
105.07011	100.0
107.04963	4.5
107.08578	44.6
109.02869	2.8
109.06525	2.3
109.10147	29.1
111.04439	4.0
117.06977	18.3
119.08549	62.7
121.06463	8.7
121.10143	33.9
125.02332	26.4
125.05968	2.3
127.03931	2.3
128.06075	2.9
129.06984	14.4
130.07747	2.7
131.08530	38.3
133.06441	2.8
133.10095	44.0
135.04413	3.3
135.11671	46.7
139.03864	11.4
141.06969	10.1
142.07750	10.1
143.08521	29.7
144.75697	2.1
145.06487	3.7
145.10106	30.9
147.08052	8.1
147.11674	37.6
149.05922	8.5
149.13239	18.4
153.05502	3.1
155.08545	13.6
157.10086	23.7
159.07990	3.0
159.11665	34.5
161.09624	3.4
161.13226	42.8
163.03871	12.0
163.07539	3.3
167.08559	3.3
169.10034	16.5
170.10890	2.1
171.11671	12.8
173.09631	2.6
173.13249	13.8
175.07520	8.2
175.14932	2.3
179.08522	3.5
181.10114	12.1
183.11681	18.0
185.13226	9.2
187.07434	2.7
187.14801	8.5
189.09061	2.7
193.10196	2.0
195.11708	10.4
197.13193	8.9
201.16309	2.8
203.10645	4.6
209.13260	11.5
211.10976	2.0
211.14748	4.2
213.16382	3.1
215.17897	42.7
221.13316	4.0
223.14822	3.2
227.10576	3.9
229.12238	4.1
229.19447	18.9
249.16307	3.7
251.17844	3.5
253.19461	3.2
255.13791	4.3
265.19406	4.2
273.14844	2.4
277.19348	7.2
281.22437	2.6
291.21054	12.6
309.22116	7.3
311.20151	4.4
319.20654	8.8
337.21548	47.1
355.22617	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	ST077074
Peak:m/z	Relative Intensity
53.03921	0.2
55.01854	1.3
55.05501	0.5
67.05481	0.4
69.03409	0.4
69.07047	1.2
73.02899	6.7
76.90843	0.2
79.05459	1.1
80.05768	0.2
81.03386	0.3
81.07014	0.2
83.04951	2.4
83.08592	0.4
84.05270	0.2
85.02887	1.6
89.03897	2.3
91.05460	0.2
92.09036	1.1
93.06991	1.3
95.04937	0.3
95.08601	2.3
96.08903	0.3
96.33551	0.2
97.06489	0.5
101.06006	0.3
105.03336	0.4
107.04941	0.4
115.78028	0.2
117.03365	2.8
121.10136	1.7
122.03593	1.4
122.06001	1.3
122.10411	0.2
127.03884	0.2
133.02831	27.4
135.04391	5.7
137.05954	6.8
139.11160	2.8
140.11490	0.8
145.02815	3.6
149.05957	2.1
150.03094	1.1
157.12219	7.5
158.12561	1.7
163.03880	18.3
165.05408	3.1
175.13245	0.3
178.02579	15.4
181.38275	0.2
193.04933	100.0
194.05309	0.3
203.60210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87071	0.4
54.70805	0.5
55.05502	4.8
57.06812	0.6
57.07066	11.8
59.04988	74.3
67.05484	1.1
68.74812	0.4
70.74606	0.4
72.19363	0.5
74.77731	0.4
81.07024	2.3
83.08611	1.0
87.04446	20.9
88.30839	0.5
89.06018	5.3
93.07012	0.6
95.08578	1.8
97.79643	0.5
101.09642	4.9
102.68033	0.5
103.07556	100.0
107.07048	1.0
107.08591	0.5
116.98621	0.5
119.07041	2.9
163.13275	3.1
175.13274	6.0
262.22281	0.6
263.16019	0.5
336.20328	0.6
354.21671	2.1
354.27704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.0
53.00301	0.1
53.03935	0.1
53.16925	0.0
54.81877	0.0
55.01859	0.1
55.05504	0.4
57.03428	0.1
62.01567	0.1
63.02369	0.3
64.33574	0.0
65.03925	0.3
67.05491	1.0
69.03412	0.3
69.07048	0.6
71.04973	0.8
73.60134	0.0
77.03916	0.1
79.05466	2.0
80.54488	0.0
81.03418	0.1
81.07036	0.3
83.04962	1.3
85.02893	0.6
85.06521	0.0
87.04426	0.0
89.03890	7.5
91.05445	0.2
93.03362	0.3
93.07014	1.4
95.04951	0.8
95.08585	0.5
97.02849	0.1
97.06503	0.3
105.04531	0.1
107.04932	3.2
109.10130	0.1
111.00809	0.1
111.04411	0.7
113.05967	0.1
117.03351	13.2
119.04968	0.1
119.73286	0.0
121.02802	0.1
121.10115	1.1
129.05455	0.0
134.03662	0.3
135.04385	29.1
139.11134	1.3
141.05438	0.2
145.02821	20.3
157.12245	0.2
162.03127	0.1
163.03865	100.0
164.41153	0.0
169.04944	0.4
181.04886	0.3
186.05481	0.1
337.09000	0.2
346.71066	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	354.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
55.05497	4.3
56.05013	3.1
56.96542	2.0
57.03423	9.4
59.53730	1.8
60.04513	42.1
60.56992	1.5
61.02912	22.9
67.05494	9.4
69.03417	32.2
70.71526	2.0
70.84236	2.0
71.04973	11.1
72.04504	4.3
72.08139	3.0
72.62704	2.0
73.02901	13.9
74.06050	2.2
79.05470	28.5
80.05042	2.0
81.03403	19.7
81.07030	2.5
82.06567	2.6
83.04969	13.0
84.04542	2.4
84.08127	74.3
85.02361	3.2
85.02882	72.2
85.06522	3.0
86.09653	2.0
87.04476	3.3
91.05455	2.2
93.07021	28.9
95.04964	2.5
95.08582	3.4
97.02883	31.4
97.06496	16.8
98.97579	8.0
99.04444	2.7
100.05218	3.2
101.36681	1.9
109.02854	8.1
110.07141	7.7
111.04425	10.3
113.06020	2.5
114.05516	9.4
115.03889	3.4
115.88922	1.9
116.98563	3.0
119.01873	4.1
121.06494	8.8
127.03862	11.9
129.05376	2.3
130.08621	100.0
131.00162	7.4
136.06161	10.5
137.29523	1.9
139.03894	9.7
139.07518	54.8
145.04915	4.4
146.04970	2.3
146.06355	3.3
146.11754	2.9
147.05014	3.5
156.10190	22.6
157.04967	2.8
157.08577	39.9
169.06990	3.4
174.07602	2.7
174.11223	16.5
175.05988	4.7
175.09645	4.8
177.00760	2.2
178.04950	2.5
189.05414	2.1
192.06865	3.1
192.12300	4.3
235.06804	2.3
249.08263	9.0
250.07024	12.8
250.09552	3.6
265.05878	3.7
283.06943	7.9
307.07092	2.4
323.12296	2.0
336.16391	19.1
337.13312	5.1
354.17465	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53806	1.3
55.05511	15.1
57.03426	3.6
57.07066	3.8
64.98373	1.4
65.75111	1.3
67.05497	97.5
68.76104	1.4
69.07061	19.5
73.01334	1.4
79.05475	56.8
81.07041	100.0
83.04982	2.1
83.08601	11.4
86.66989	1.4
91.05472	23.2
92.08691	2.3
93.07028	74.5
93.66022	1.4
95.04976	2.1
95.08006	2.8
95.08588	69.1
96.68886	1.5
97.06524	2.1
97.10191	2.0
99.08120	1.7
105.07011	19.0
107.08580	43.7
109.10155	33.8
117.07017	11.7
118.30917	1.5
119.08569	20.5
121.10120	31.2
123.11681	15.5
131.08560	19.6
133.10092	11.6
135.11676	27.7
137.13234	3.1
145.10057	14.0
147.11647	10.0
148.98839	1.6
149.13231	17.7
159.11705	13.0
161.13199	8.7
163.14798	7.9
173.13188	11.6
175.14806	1.9
177.16348	3.4
187.14775	7.6
209.72234	1.9
243.21054	15.0
261.22110	51.7
335.25732	8.9
353.27063	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03923	3.0
53.64338	0.6
55.01847	0.6
55.05504	18.2
57.03428	9.3
57.07070	5.8
57.53437	0.7
64.68209	0.6
65.03909	1.6
66.68496	0.7
67.05489	96.8
69.07052	15.4
71.04979	1.7
71.08609	0.9
75.04442	0.8
79.05473	50.1
81.07037	100.0
83.05013	0.6
83.08588	6.2
85.06509	2.9
91.05459	21.2
93.07022	64.5
95.04932	4.0
95.08583	74.4
97.06496	4.4
97.10130	1.6
97.66051	0.7
99.08093	0.8
103.73188	0.7
104.98680	0.6
105.07012	19.7
107.07862	1.2
107.08573	32.3
109.06484	1.0
109.10137	35.7
111.08105	1.3
117.07023	8.8
119.08558	12.7
121.06499	0.9
121.10116	27.3
123.08006	1.0
123.11694	9.7
125.09631	1.0
131.08542	18.4
133.10120	12.2
135.11653	17.2
137.09572	0.8
137.13210	4.4
145.10127	10.1
147.11673	7.8
149.13232	14.3
159.11670	7.8
161.13203	6.9
163.14813	8.1
165.72656	0.7
165.88899	0.7
173.13225	10.1
175.14749	1.0
177.12759	1.2
177.16319	2.9
187.14827	5.8
201.16493	1.0
212.19859	0.7
233.22557	1.3
243.21028	15.2
248.39484	0.7
261.22067	44.1
279.23111	3.3
326.88242	0.7
333.95941	0.7
335.25714	10.0
353.22586	0.9
353.26791	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88367	1.5
55.05498	16.9
56.26333	1.7
57.07064	7.6
67.05490	100.0
69.07054	15.8
71.04990	2.3
71.08616	2.5
71.23703	1.8
79.05470	82.9
81.07036	90.2
83.04966	2.2
83.08601	9.3
85.06506	1.9
88.07576	1.9
90.22125	1.6
91.05454	38.4
92.09086	2.6
93.07022	95.5
95.04955	4.6
95.08582	69.5
97.06474	3.0
97.10116	2.4
99.08079	3.9
105.07004	24.0
107.08567	46.2
109.06516	2.7
109.10126	24.6
117.06972	13.9
119.08559	16.1
121.10114	36.0
123.11698	8.1
129.06873	1.8
131.08530	32.5
133.10112	13.9
135.11671	27.0
137.13222	2.7
145.10124	16.8
147.11681	7.8
149.13243	18.3
151.14825	2.4
159.11678	9.6
161.13231	8.8
163.14786	10.3
173.13220	11.6
177.16406	6.5
187.14766	3.8
189.16440	2.1
201.16388	3.5
233.22665	3.6
243.20987	26.7
261.22055	56.0
310.71252	1.9
335.25745	2.4
352.32074	3.7
353.26929	10.3
353.32349	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05498	18.2
57.03431	4.6
57.07028	3.8
67.05490	93.5
69.07037	17.2
74.25053	2.9
79.05466	50.5
80.06868	2.8
81.07034	100.0
83.08597	6.4
91.05443	30.0
93.07017	62.6
95.04892	2.8
95.08582	82.8
105.06998	16.5
107.08569	41.2
109.10127	29.3
117.06972	10.9
119.08578	12.9
121.10104	26.3
123.11651	11.4
131.08534	18.8
133.10091	7.0
135.11688	22.9
145.10126	15.4
147.11682	5.5
149.13232	15.1
159.11693	7.0
163.14757	4.5
173.13181	12.5
187.14766	5.0
243.21016	14.4
261.22119	45.8
335.25668	13.0
353.26624	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.32621	2.9
55.05495	16.9
57.03422	4.7
57.07048	4.6
60.24454	3.1
67.05490	92.2
69.07033	11.9
79.05478	44.4
80.69473	3.0
81.07042	100.0
83.08586	3.4
91.05449	20.2
93.07025	67.1
93.27191	3.0
95.04891	4.2
95.08583	72.5
105.07007	18.0
107.08574	37.8
109.10140	22.3
116.93354	3.0
117.07013	6.2
119.08546	6.4
121.10138	23.8
123.11649	5.1
128.00958	3.7
131.08516	6.8
131.22200	3.5
133.10086	14.1
135.11705	22.9
145.10127	7.6
147.11641	5.8
149.13242	14.2
159.11638	7.4
161.13208	3.5
163.14813	4.6
173.13228	6.8
187.14658	3.7
195.48436	3.7
228.66888	3.8
243.21098	14.7
261.22046	40.5
335.25607	6.7
353.26746	16.3
357.09308	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.8
53.03940	1.8
55.01865	1.5
55.05511	15.0
57.03423	6.1
57.07053	4.6
64.10453	0.9
65.00987	1.0
65.03918	1.4
67.05490	100.0
69.07051	13.7
71.08621	1.2
75.04462	1.1
79.05005	1.4
79.05473	58.6
81.07035	95.0
83.08613	10.1
83.42099	0.9
85.02966	1.0
85.06538	2.0
91.05452	27.5
91.13139	1.0
93.07019	79.0
95.04932	2.3
95.08579	74.7
97.06506	2.2
97.10160	1.9
105.07021	22.2
107.08572	44.5
109.06513	1.8
109.10135	33.9
111.08051	1.3
117.07011	12.1
119.08546	16.0
121.10114	35.6
123.08026	1.0
123.11691	13.4
125.09589	1.3
131.08525	28.0
133.10100	12.8
135.11665	27.4
137.09587	1.2
137.13246	5.6
145.10121	16.0
146.01048	0.9
147.11668	14.1
149.13234	16.4
158.71960	1.0
159.11681	15.4
161.13196	8.2
163.14795	11.4
173.13190	14.0
175.14806	2.0
177.16339	2.2
187.14822	8.7
201.16397	1.7
215.17990	1.1
233.22865	1.6
243.21056	18.9
258.17325	1.0
261.22055	67.5
279.23114	1.6
335.25681	7.9
353.26752	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.05504	17.8
57.03406	5.6
57.07047	4.8
57.34712	0.7
58.47803	0.8
65.03900	0.9
67.05489	96.4
69.07053	16.7
71.04984	3.2
71.08615	1.0
75.04470	1.2
76.64521	0.8
79.05471	56.9
81.07034	100.0
83.04957	1.2
83.08589	8.5
85.06525	1.8
91.04890	1.0
91.05448	24.8
92.09327	2.4
93.07018	77.4
95.04938	1.9
95.08579	72.2
97.06499	1.8
97.10166	1.4
99.08044	1.7
105.04530	0.9
105.07000	20.1
107.08571	48.0
109.06425	1.2
109.10133	34.9
111.08006	1.4
112.52663	1.0
117.06992	10.6
119.08543	19.0
121.10119	34.6
123.11665	14.9
126.32306	1.0
129.06909	1.1
131.08548	21.5
133.10103	13.9
135.11676	28.2
137.13144	3.6
145.10117	12.2
147.11621	9.9
149.13219	17.9
151.11127	1.0
151.14801	1.2
159.11667	14.1
161.13219	8.6
163.14763	11.3
165.12614	1.2
173.13173	12.6
175.14755	1.3
177.16356	4.5
187.14792	8.0
201.16359	1.3
215.17892	1.1
233.22639	1.7
243.20973	17.3
255.76552	1.0
256.94672	1.0
261.22052	58.4
278.68799	0.9
279.23233	1.1
335.25772	7.5
353.26794	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.33234	1.0
53.03943	1.3
53.79870	1.0
54.03310	1.0
54.71093	0.9
54.99179	1.1
55.01861	2.0
55.05508	16.3
57.03419	6.5
57.07074	8.4
62.64887	1.1
64.30531	1.0
65.03935	3.0
67.05492	100.0
69.07051	15.3
69.23061	1.0
69.73147	1.0
71.04967	1.4
79.05474	65.1
81.07037	95.2
83.08601	9.0
85.06546	2.1
91.05460	27.3
92.08696	2.3
93.07021	80.0
95.04939	2.4
95.08579	70.6
97.06510	1.4
97.10143	1.9
98.97543	1.4
105.04524	1.4
105.07005	24.0
107.08570	43.4
109.06519	1.7
109.10148	26.9
111.08057	1.4
117.06985	10.8
119.08559	18.1
121.10129	27.3
123.11665	10.6
131.08553	21.0
133.10068	10.1
134.02350	1.2
135.11664	22.7
137.13254	2.8
145.10117	15.7
147.11671	8.3
148.19806	1.2
149.13214	12.5
151.14862	1.7
153.12654	1.4
159.11678	8.0
161.13264	8.4
163.14777	10.7
173.13208	12.0
175.14835	1.9
177.16379	6.2
179.91676	1.3
187.14838	5.1
233.22621	5.1
243.21045	18.7
261.22079	50.7
335.25781	10.5
353.26660	10.7
353.32675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01988	0.5
54.82021	0.7
55.01854	0.6
55.05502	6.1
56.61374	0.8
57.03424	1.5
57.07058	3.2
61.02911	1.2
67.05486	31.4
69.03407	1.3
69.07056	14.0
71.04971	34.5
71.08591	1.6
79.05490	4.3
81.07035	92.1
82.07352	0.8
83.08609	4.3
85.02882	10.2
85.06530	21.7
87.94398	0.8
91.05454	1.7
93.07011	3.8
95.08579	100.0
96.08916	1.7
96.83864	0.7
97.02872	1.3
97.10120	0.8
98.97501	0.8
99.04350	0.9
99.08076	4.8
106.66059	0.7
109.10140	11.6
110.10465	3.3
111.08038	1.4
112.08419	0.9
113.09660	1.0
119.08566	1.0
135.82904	0.9
137.09595	1.6
137.13203	9.2
138.09950	1.3
150.05264	0.7
155.10696	6.9
155.14276	36.4
156.10979	4.7
173.11748	1.3
173.15335	41.9
174.12032	2.9
187.10526	0.9
191.16388	10.6
224.49780	0.8
279.19901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01848	3.2
55.05490	3.1
57.03418	1.3
57.88537	0.7
65.03915	4.9
67.05149	0.8
67.05487	23.3
69.07045	1.6
71.04956	1.2
77.89387	0.9
79.05470	14.7
81.06593	1.4
81.07037	27.0
83.04956	10.7
85.02891	17.4
91.05462	19.5
92.09372	3.3
93.03372	1.9
93.07024	13.3
95.04941	3.6
95.08575	5.1
97.06485	1.2
99.75890	0.7
105.06345	1.4
105.07008	23.3
105.54749	0.9
107.04955	1.9
107.08586	8.8
109.06499	1.8
109.10091	0.8
111.04423	52.2
115.05501	0.9
117.07000	11.3
119.08556	13.4
121.06516	1.1
121.10107	3.5
123.08039	1.3
125.05960	1.6
128.06177	1.9
129.06943	8.4
130.07774	3.5
131.08536	14.5
133.06424	1.0
133.10103	6.9
141.06964	3.4
142.07773	3.9
143.08559	9.4
145.06480	1.5
145.10101	20.2
147.07999	0.9
147.11670	2.9
149.09601	2.0
155.08499	7.5
156.09425	0.9
157.10107	16.5
159.08061	0.9
159.11662	8.2
161.09550	3.7
165.06932	1.4
167.08456	1.3
168.09306	1.0
169.10117	4.9
171.11629	3.3
173.09567	5.0
173.13216	4.1
179.08514	3.2
180.09282	1.1
181.10118	3.3
182.10921	0.9
183.11668	6.9
185.09561	1.2
185.13158	1.8
187.11180	0.8
189.09172	1.3
193.10092	1.4
195.11673	5.1
197.13242	1.8
199.11272	0.8
199.14827	3.4
203.08693	0.9
203.10857	1.0
207.11604	1.6
211.14912	1.6
219.11674	1.3
223.14783	1.0
233.13237	1.5
235.14650	0.9
251.17700	1.1
335.19882	1.6
353.21017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35436	0.3
55.01856	0.4
55.05503	3.9
59.02081	0.4
61.41189	0.3
62.31544	0.3
67.05497	5.9
69.07053	2.1
72.30560	0.3
79.05480	5.9
81.07042	8.3
83.08601	3.4
91.05463	4.8
92.08670	0.7
93.07022	6.3
95.08582	7.4
105.07015	8.7
107.08584	4.0
109.10163	2.9
117.07009	2.1
119.08555	4.4
121.10120	1.7
123.08017	0.4
128.06212	0.7
129.06990	3.7
131.08533	3.9
133.10150	2.7
141.06972	2.2
142.07773	2.6
143.08554	6.4
145.10074	3.0
147.08061	0.5
147.11639	1.6
147.25134	0.4
149.13341	0.4
153.06958	0.6
154.07791	1.9
155.08565	6.3
156.09312	0.9
157.10101	4.8
159.11661	4.1
161.13335	0.9
165.06941	3.9
166.07767	2.8
167.08549	4.2
168.09251	2.9
169.10077	6.9
170.10750	0.5
171.11674	2.4
173.13237	0.6
175.07536	1.8
178.07707	1.7
179.08511	4.9
180.09314	2.8
181.10077	11.2
182.10905	2.0
183.08022	0.8
183.11697	5.6
185.09631	0.9
185.13222	0.8
187.07475	0.7
191.08543	1.4
192.09314	2.0
193.10091	5.7
194.10858	1.7
195.08035	2.2
195.11684	8.5
196.12349	0.5
197.09579	0.7
197.13249	3.7
199.07574	0.8
199.11116	0.9
199.14740	0.5
201.09084	0.6
204.09216	0.5
205.10056	3.7
206.10976	1.7
207.11652	6.9
208.08813	0.5
208.12431	1.0
209.09589	3.1
209.13235	4.2
211.07584	0.7
211.11201	2.6
213.09131	3.3
215.10686	1.5
217.09985	1.2
218.10939	1.6
219.11641	4.6
220.12418	2.0
221.09604	1.6
221.13147	3.0
223.11145	2.2
223.14792	1.8
225.09061	4.1
225.12657	1.5
227.10638	6.8
229.12294	0.7
231.11726	0.6
233.13235	4.5
235.11200	4.7
235.14822	4.2
237.09108	2.7
237.12753	0.9
239.10626	4.7
241.12248	4.9
246.14066	0.7
247.11122	0.6
247.14839	2.3
249.12695	0.7
249.16338	2.1
251.10663	2.4
251.17775	3.1
253.12195	11.4
259.14847	0.9
260.05280	0.4
260.15479	0.6
261.12891	0.7
261.16382	4.7
261.22159	0.7
265.12204	4.2
266.13089	0.7
267.13708	5.9
274.17371	0.6
275.14603	0.8
275.17896	7.8
279.13766	5.2
281.15146	4.1
289.15826	4.0
289.19467	5.7
291.20914	0.6
293.15332	3.0
293.18964	3.9
305.15280	1.5
307.16962	8.3
307.20374	0.8
317.18860	4.5
320.17676	4.8
323.16043	0.6
335.19992	27.4
338.18561	1.7
353.21054	100.0
354.21399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55119	1.7
53.03921	1.9
55.05504	2.3
55.63231	1.6
56.96553	1.6
58.62560	1.8
64.25144	1.8
67.05492	22.6
69.07059	2.2
70.51073	1.7
79.05466	22.1
81.07034	100.0
83.04957	2.1
91.05467	29.0
93.07001	15.3
95.04951	4.3
95.08585	9.5
105.07012	31.0
107.04951	2.6
107.08557	14.1
111.04417	2.3
117.06965	17.9
119.08600	18.3
121.10107	2.3
125.05962	8.7
129.06978	9.7
131.08559	19.7
133.10085	9.3
135.08031	2.3
139.03810	4.1
141.01883	2.0
142.07787	10.2
143.08513	17.4
145.10109	33.4
147.11682	3.7
153.05415	3.9
155.08549	11.3
157.10080	35.8
159.11681	11.6
167.08488	2.7
169.10086	7.6
171.11719	11.8
173.13219	2.4
179.08408	2.4
181.10114	7.2
183.11639	11.5
184.95584	2.1
185.13231	3.3
193.10233	2.4
195.11644	9.5
197.13394	2.3
199.14738	3.4
209.13400	2.1
219.11588	2.9
223.14815	2.2
247.14748	3.8
273.14786	3.0
289.15952	2.8
289.19208	4.3
293.19122	2.1
317.19019	3.9
335.20010	30.2
347.07886	2.4
353.20926	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	5.7
56.96544	1.7
67.05494	8.0
67.19650	1.0
69.07032	3.9
79.05479	7.9
81.07032	11.0
83.08591	4.2
91.05453	8.8
92.08529	1.5
93.07031	9.5
95.04922	1.2
95.08575	8.4
98.97522	4.2
105.07005	13.5
107.08557	6.3
108.50658	1.1
109.06467	1.3
109.10094	1.3
116.98607	1.2
117.06971	6.1
119.08566	9.4
121.06489	1.1
121.10085	1.3
125.05956	2.3
128.06178	1.2
129.06950	4.8
131.08530	8.6
133.10081	4.4
141.06915	2.2
142.07770	4.6
143.08516	7.6
145.10097	7.0
147.11639	2.1
153.06940	1.5
154.07703	1.5
155.08502	6.5
156.09367	1.2
157.10155	9.4
159.11639	8.2
165.06972	2.3
166.07697	2.0
167.08521	4.9
168.09300	4.4
169.10077	6.6
171.11559	3.6
179.08540	4.7
180.09357	1.7
181.10107	14.0
182.10875	1.7
183.11699	7.5
185.13162	1.8
192.09265	1.8
193.10114	5.5
195.08051	2.1
195.11638	12.6
197.13184	2.6
199.11113	1.6
199.14734	1.4
205.10068	3.8
206.10826	1.5
207.11632	7.8
209.09534	2.1
209.13187	4.7
211.11110	1.6
213.09090	2.2
219.11584	5.8
221.13251	4.3
223.11052	1.7
225.09016	4.2
227.10667	5.5
233.13225	4.4
235.11186	3.4
235.14763	6.1
239.10564	2.5
241.12202	2.4
247.14650	2.6
249.16216	1.3
251.17860	4.4
253.12157	10.2
259.14645	1.4
261.12805	1.2
261.16302	2.4
261.75140	1.2
265.12100	4.5
267.13666	6.2
275.17953	10.6
279.13678	5.1
281.15271	1.6
289.15872	1.7
289.19330	5.4
291.03647	1.3
293.15320	3.9
293.18668	2.0
302.85495	1.0
307.16791	7.1
307.20163	1.6
309.73962	1.3
317.18942	4.2
320.17682	5.5
335.19931	32.4
338.18832	1.1
342.02325	1.2
353.20975	100.0
377.71378	1.2
379.55121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05509	2.1
57.04432	1.2
61.41832	1.1
67.05497	27.1
69.07051	3.2
79.05464	22.5
81.07038	100.0
83.04992	2.0
91.05462	47.2
92.08643	3.9
93.07017	28.3
95.04942	6.0
95.08587	12.1
97.02858	1.6
97.06496	2.3
105.07011	39.5
105.07656	2.3
107.04930	3.2
107.08584	14.6
109.10170	1.9
111.04405	6.1
115.05479	2.9
117.07005	29.0
119.08568	20.4
121.06504	2.8
121.10139	3.3
125.05962	12.9
128.06213	5.5
129.06984	16.0
130.07788	2.9
131.08549	31.4
133.10097	13.3
135.08018	5.7
139.03908	3.5
141.06978	7.1
142.07718	17.5
143.08553	20.3
144.09305	1.6
145.10109	41.4
147.08086	1.8
147.11726	5.2
147.86620	1.8
153.05444	7.3
154.10036	1.6
155.08546	13.8
156.09433	2.0
157.10115	50.5
159.11691	22.4
161.09602	2.8
161.13139	2.0
163.07562	3.5
165.06996	5.8
167.08559	3.7
168.09312	2.4
169.10097	11.5
171.11668	10.1
173.13211	11.7
177.09096	1.9
180.09364	1.9
181.08690	2.4
181.10124	9.3
183.11678	12.7
185.09624	1.9
185.13242	7.1
193.10139	6.8
195.11656	11.2
196.12390	1.8
197.13284	7.2
199.14798	9.9
205.10091	2.4
207.11703	10.2
209.13266	7.7
211.14752	2.8
213.16322	1.9
215.10690	1.9
218.03386	1.6
218.10722	1.5
219.11739	6.2
220.12375	2.1
221.13295	6.0
223.14827	6.3
233.13351	3.1
235.14815	2.9
241.12050	1.8
249.16473	2.4
251.17888	2.2
255.13678	3.5
261.16379	2.5
269.15369	1.7
275.17966	7.5
279.13745	1.8
289.19461	9.3
307.20517	3.5
317.18930	7.9
335.19974	45.1
353.20996	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	353.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40606	1.7
55.05496	9.2
57.20209	1.9
60.19656	1.6
63.63515	2.0
65.03909	3.2
67.05489	18.5
69.03374	2.0
69.07053	3.9
69.69339	1.8
79.05472	29.4
81.07033	43.5
83.05000	2.2
83.08595	2.6
85.02952	2.5
91.05466	28.0
93.07037	29.6
95.04945	3.8
95.08585	27.9
105.03394	2.9
105.07012	58.0
107.08563	23.5
109.06483	3.2
109.10147	9.0
115.05434	4.4
117.06981	20.9
119.08572	24.2
121.10129	8.3
123.04495	2.8
123.08067	2.5
125.02301	4.7
125.05978	10.6
128.06194	11.4
129.06969	26.2
131.08542	35.6
133.10098	14.4
135.11627	2.8
141.06961	10.2
142.07756	3.5
143.08536	36.0
145.10075	33.2
147.11667	15.8
153.05493	5.3
153.06989	4.4
154.07762	3.3
155.08510	19.8
156.09279	3.2
156.12148	2.1
157.10091	36.0
159.11725	22.5
165.07011	8.6
166.07751	10.4
167.08542	13.0
168.09314	4.7
169.10133	19.4
171.08032	3.2
171.11658	34.5
173.13243	2.7
175.07639	2.3
175.14848	4.3
178.07779	4.8
179.08514	10.0
180.09268	3.5
181.10078	30.2
181.84387	2.4
183.11607	17.1
185.13223	22.3
192.09302	2.3
193.10065	11.6
194.10823	7.7
195.11700	14.7
196.12547	2.8
197.13261	13.4
199.14833	11.2
205.10045	4.2
207.11630	10.4
209.09709	5.0
209.13226	8.8
211.11154	2.9
211.14825	4.5
212.15504	2.6
213.09070	2.2
213.16386	3.1
218.10887	3.8
219.11647	5.4
221.13213	3.7
223.14754	5.2
225.09134	3.4
225.12468	3.2
225.16295	4.9
227.10658	13.1
227.17891	66.5
233.13300	4.8
237.16264	3.0
241.12128	3.6
247.14754	4.7
249.16411	2.7
251.10616	2.6
253.12187	8.2
261.16397	2.6
267.13718	8.8
275.17740	2.3
279.13898	2.8
289.19452	7.7
291.10226	2.3
293.15222	3.0
307.16907	2.2
307.20313	3.5
317.18808	3.8
335.19958	65.2
353.21039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04598	0.8
55.05488	6.0
55.05747	1.0
60.82773	1.0
61.56651	0.9
67.05495	7.6
69.07053	2.2
69.23974	0.9
70.52126	0.8
73.25374	0.9
79.05481	11.0
81.07040	12.5
83.08604	3.9
85.02866	1.3
88.32254	0.9
91.05457	15.3
93.07024	10.2
95.04958	2.2
95.08588	10.9
105.07018	18.7
107.08579	8.7
109.10120	1.7
115.05389	1.1
117.06989	8.9
119.08532	11.6
121.06463	1.1
121.10107	1.9
128.06152	1.8
129.07033	7.2
130.07666	1.2
130.43808	1.0
131.08548	14.2
133.10085	5.3
141.06938	5.7
142.07758	1.8
143.07759	0.8
143.08580	13.7
144.09346	1.7
145.10100	9.7
147.11664	4.1
153.07011	1.5
154.07744	1.9
155.08525	10.6
156.09328	1.3
157.10117	10.2
159.07941	1.3
159.11659	11.4
163.07503	1.4
165.06934	4.4
166.07729	1.8
167.08516	6.7
168.09319	2.4
169.06415	1.2
169.10068	7.9
171.08029	1.3
171.11635	2.3
173.13210	1.9
175.07460	1.9
175.14787	2.4
179.08516	6.8
180.09340	1.9
181.10101	13.8
182.10870	1.8
183.11636	12.7
185.09718	1.2
185.13159	2.4
189.09076	4.0
191.08592	1.1
191.14183	1.0
192.09354	2.4
193.10066	7.3
194.10678	1.2
195.07977	1.4
195.11722	10.1
197.09599	1.8
197.13200	5.8
199.07632	1.3
203.08459	1.0
204.09319	1.1
205.10110	2.0
206.10883	1.6
207.11606	6.0
209.09578	2.4
209.13229	4.0
210.34174	1.0
211.11113	3.6
211.14745	1.1
213.09096	2.1
219.11642	6.3
220.12280	1.9
221.13159	4.0
223.11111	1.9
223.14851	2.4
225.08997	4.9
225.12582	1.7
227.10619	7.0
229.12155	2.2
233.13162	5.1
234.13904	1.4
235.11105	4.5
235.14780	5.7
237.09082	2.3
239.10550	4.9
241.12119	6.0
245.13261	1.1
247.14781	1.3
249.16270	1.0
251.17836	2.0
253.12148	9.0
261.16299	4.4
265.12332	1.9
266.12878	1.5
267.13712	5.3
275.17853	7.8
279.13715	6.3
281.15344	2.2
289.15759	4.2
289.19400	6.0
293.15372	2.3
293.18835	3.9
298.08398	1.0
305.15332	1.3
307.16800	8.1
307.20355	4.0
317.18979	5.0
320.17551	2.0
335.19992	40.5
353.21008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
54.50512	2.1
55.01857	2.4
55.05500	10.8
56.96562	6.1
62.66679	1.8
63.91806	2.3
63.98325	2.2
64.26587	2.0
65.03926	3.1
67.05254	1.9
67.05497	34.4
67.45043	2.5
69.03412	4.5
69.07051	13.0
78.79829	2.3
78.80304	2.2
79.05480	40.1
81.07035	94.3
83.04964	5.7
83.08641	2.7
84.95999	2.6
85.02844	3.1
87.04488	3.1
87.90282	2.4
91.05465	49.7
93.07031	40.7
95.04960	15.8
95.08592	37.7
97.02872	5.2
97.06489	3.3
98.97565	14.7
105.07009	65.3
107.04954	3.4
107.08562	25.8
109.06520	22.5
109.10171	32.7
111.04443	3.7
115.05421	3.2
116.98591	3.3
117.06992	31.1
117.76275	2.5
119.08566	32.2
121.06502	3.4
121.10119	9.7
121.53043	2.5
123.08033	4.6
123.11740	3.2
125.05975	83.2
125.06842	5.1
128.06201	5.0
129.06985	33.2
130.07751	2.7
130.66556	2.4
131.08540	45.1
133.02870	3.2
133.10104	18.3
135.08017	3.5
137.05940	12.0
141.06935	17.7
142.07782	21.6
143.08556	44.1
145.01674	4.2
145.10106	38.1
147.11632	23.3
149.09656	3.9
153.05469	23.9
153.06984	2.8
155.07042	14.6
155.08531	22.2
156.09312	5.0
157.10107	69.1
159.11655	27.6
161.01370	2.5
163.07567	2.8
165.06926	3.8
165.12761	5.7
167.08533	13.4
168.09338	3.5
169.10092	29.8
171.11670	37.1
173.13268	10.7
175.07414	2.6
175.11099	3.0
177.00618	3.1
181.10100	14.9
182.10951	4.2
183.11658	35.8
185.09644	3.1
185.13278	16.1
187.14816	5.4
193.10133	10.6
193.12169	9.6
195.11707	14.0
197.01208	3.6
197.13211	18.3
199.11240	2.8
199.14758	40.5
201.00659	4.2
201.12749	3.4
205.10168	5.3
206.10942	3.3
207.11688	6.1
209.09747	3.7
209.13222	16.7
211.11133	3.8
211.14824	10.2
213.16322	23.7
219.11636	10.9
221.13181	2.6
223.14926	6.8
225.16504	8.8
227.10696	4.5
227.17891	4.7
233.13177	5.8
235.14757	5.9
247.14767	4.5
249.16182	4.8
253.12346	3.6
255.13779	5.0
267.13849	3.6
275.17941	6.2
279.03625	3.3
279.13791	4.7
289.19489	11.3
293.15424	4.6
307.16727	3.6
307.20450	5.2
309.21964	3.0
317.19009	4.6
333.14517	3.3
335.20007	69.7
336.20255	3.0
353.21051	100.0
353.66904	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	353.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.7
59.93308	2.7
66.83366	2.6
67.05495	32.9
69.07056	5.2
77.24294	2.6
79.05488	29.7
81.07049	55.3
83.08580	4.2
91.05464	49.3
93.07035	39.2
95.04974	5.2
95.08592	20.3
96.25935	3.0
98.97536	3.7
103.31442	3.1
105.07021	65.1
107.08574	27.3
107.89874	3.1
109.10135	12.7
111.04372	2.9
115.05445	4.9
117.06977	24.0
119.08575	38.4
121.10096	14.3
128.06198	7.1
129.06975	21.8
131.08577	27.2
133.10103	22.8
135.08044	3.2
135.11664	14.2
138.45912	3.5
141.06902	5.5
142.07748	12.2
143.08546	24.9
145.10127	30.0
147.08131	3.7
147.11671	26.8
155.08571	22.4
157.10089	25.7
159.11710	22.8
161.13251	19.5
165.06969	7.1
168.09364	4.6
169.10085	15.7
171.11662	5.7
175.14725	12.9
177.09058	3.1
179.08563	3.4
181.10103	18.3
182.15321	5.1
183.11674	5.6
187.14871	3.6
193.10066	6.6
195.11714	4.9
197.13280	7.5
199.14749	4.9
207.11620	4.8
209.13231	4.0
215.10713	4.6
219.11649	6.7
225.09077	4.7
225.16284	4.4
227.10663	6.0
229.12277	3.3
235.14893	5.3
241.12021	3.5
253.12248	5.9
275.17868	4.0
282.98575	3.4
289.19400	5.6
307.20493	4.4
317.19028	5.1
335.19901	38.5
353.21271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.4
53.03936	1.9
54.81429	0.7
55.01842	1.4
55.05496	6.9
57.03407	4.7
57.07057	1.1
59.04967	0.8
61.02902	1.9
61.28574	0.7
63.96684	0.7
65.03900	1.4
67.05492	10.6
69.03413	41.9
69.07050	31.8
70.06585	0.7
71.04958	5.4
73.02885	1.7
79.05475	8.0
81.03401	6.7
81.07042	13.1
83.04961	10.9
83.08581	4.2
85.02421	1.3
85.02888	24.1
85.06519	4.2
86.03522	0.8
87.04466	0.9
91.05447	9.4
93.03387	1.1
93.07025	10.7
95.04935	5.8
95.08582	18.3
97.02853	5.2
97.06478	3.7
99.04410	1.9
105.03382	2.9
105.07023	14.8
107.04928	7.7
107.08571	24.3
109.02850	3.9
109.06491	5.4
109.10110	6.1
111.04416	4.3
111.08081	10.0
115.61395	0.7
117.06976	3.2
119.08569	14.5
121.06477	3.3
121.10116	18.0
123.04384	3.4
123.08031	10.0
127.03875	3.9
129.05403	1.2
129.06982	3.2
131.08533	20.3
132.57166	0.9
133.02812	10.8
133.06520	0.9
133.10101	17.5
135.08032	31.1
135.11606	6.5
137.09544	3.0
139.03880	1.0
143.08559	8.8
144.09325	1.0
145.10118	8.5
147.11673	6.7
149.09595	13.4
149.13246	5.5
151.03882	4.3
155.10611	3.5
155.14301	1.6
158.10864	9.2
161.02310	5.7
163.11157	0.8
163.14771	6.5
173.11823	1.2
173.13214	31.3
175.14754	6.9
176.11942	1.0
179.03354	9.8
191.14265	100.0
194.28860	0.9
197.01100	1.1
317.10959	0.9
353.19449	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	353.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28572	0.3
53.03936	0.2
54.22022	0.3
54.81961	0.3
55.05508	2.7
57.03418	0.7
57.07062	0.5
65.03889	0.3
67.05505	2.9
69.03416	6.5
69.07037	2.0
69.41462	0.2
71.04967	1.9
73.18159	0.3
79.05469	5.4
81.03374	0.4
81.07035	8.1
83.04955	2.0
83.08617	0.6
85.02861	1.0
91.05458	6.1
93.07021	4.7
95.04935	1.5
95.08569	1.8
97.02885	0.4
105.07014	10.4
107.04965	2.7
107.08573	17.8
109.06516	2.8
109.10133	6.6
115.05435	1.6
116.87709	0.3
117.06997	2.0
118.07748	0.3
119.08557	4.1
121.06483	1.7
121.10120	13.0
122.07266	7.2
123.08003	1.3
127.03877	1.2
131.08556	3.4
133.10101	100.0
134.10428	1.2
135.08017	5.4
135.11653	1.1
137.09592	50.7
143.08546	0.5
145.10109	1.2
147.11707	2.2
147.12779	0.3
149.09584	2.1
149.13234	8.3
149.14337	0.5
158.10905	1.4
163.14778	1.3
168.87463	0.3
173.13222	4.8
191.14270	16.7
215.09158	0.6
282.48328	0.4
319.15414	0.3
338.67828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54217	0.5
51.66386	0.5
53.00308	0.8
54.08358	0.5
55.05497	1.3
56.68251	0.5
57.03432	9.9
57.07069	100.0
61.02932	1.1
67.05489	9.4
69.03416	3.6
69.07047	4.6
71.01341	1.5
71.04975	10.7
71.08607	0.6
73.02882	6.1
75.04462	0.9
79.05475	1.5
81.07041	24.3
83.04961	3.0
83.08631	0.7
85.02892	17.2
85.06528	89.2
86.09689	0.8
89.15623	0.5
92.08898	0.8
93.03381	0.7
93.07018	1.4
95.01310	12.3
95.04943	1.4
95.08584	25.6
96.08929	0.8
97.02843	1.0
98.54273	0.6
99.00795	1.1
99.08102	2.1
101.02380	0.7
103.07560	10.7
105.03349	2.3
107.04948	2.3
109.10156	5.2
111.04437	2.4
113.02351	4.8
119.08575	2.5
123.04413	1.2
127.11178	0.6
129.05447	0.6
131.03459	2.1
133.02876	4.2
137.09613	1.3
137.13219	4.7
138.09859	0.7
140.09232	0.6
141.01805	15.5
151.03876	1.2
155.10649	3.0
155.14288	15.0
156.11050	0.6
159.02908	0.8
159.10136	60.6
161.02324	2.3
164.33553	0.6
170.74707	0.8
170.76141	0.7
173.11655	1.0
173.15318	7.3
177.11180	17.1
179.03427	5.2
191.16451	4.8
208.39041	0.7
293.64267	0.6
317.12762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.084
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
53.57637	1.3
55.33036	1.6
61.78834	1.6
71.25489	1.5
92.08699	3.5
133.59554	1.7
169.32088	1.6
204.78606	1.7
255.47214	2.0
258.24283	1.8
321.18045	1.9
353.08401	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	352.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90669	2.9
55.05495	4.1
57.03428	6.0
57.07067	3.8
58.17646	2.9
59.93039	2.6
60.63846	2.8
65.03934	4.5
66.19912	3.2
67.05489	16.7
69.03416	7.5
79.05477	5.0
81.07043	30.4
83.04964	22.7
85.02883	15.8
85.06549	7.1
91.05482	6.7
93.07043	7.8
94.04492	3.3
95.04944	19.0
95.08561	4.9
97.02855	4.9
109.06502	100.0
111.04430	13.7
113.05972	4.3
115.07552	3.4
123.04427	17.2
127.07541	40.1
127.68050	3.2
133.02841	7.6
133.68610	2.9
137.05956	39.7
137.09641	4.4
139.03972	4.1
145.08577	13.4
146.06224	3.0
155.07014	98.1
172.52939	3.0
173.08075	29.8
210.49583	4.0
317.12164	3.7
352.19580	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	352.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
55.05502	3.3
57.03427	1.2
61.02912	0.6
67.05495	19.0
69.03413	6.1
69.07060	1.3
71.04976	24.3
74.00624	0.7
74.83733	0.5
76.31925	0.6
79.05479	2.3
80.72286	0.5
81.03398	0.8
81.07041	6.5
82.98046	0.5
83.04930	0.6
85.02893	9.1
85.06519	2.8
87.04467	2.6
91.05453	10.0
92.08938	0.9
93.07019	11.9
95.04951	3.0
95.08585	36.5
96.29768	0.6
97.02850	1.4
97.06528	0.8
99.04408	1.3
101.05945	0.9
103.29877	0.5
104.56774	0.5
109.10143	31.9
111.08064	45.7
113.05960	1.2
117.93162	0.5
119.08558	22.6
125.09563	4.7
127.03922	0.6
127.11178	0.7
137.08525	1.1
137.09592	47.3
155.10648	100.0
162.05476	1.2
173.11699	50.9
190.04987	0.7
209.49338	0.6
215.02252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49109	0.5
53.03940	1.4
55.01860	2.5
55.05479	0.7
57.03418	2.8
57.07063	0.7
58.06345	0.9
58.06593	15.3
59.04970	0.7
60.04499	0.8
61.02915	5.5
67.05491	8.3
69.03407	13.0
69.07054	9.4
70.06559	1.5
71.04960	1.6
73.02907	1.4
79.05469	4.5
81.03416	5.1
81.07035	44.6
83.04981	0.9
84.08128	7.7
85.02885	25.7
85.06522	8.1
86.09704	5.4
87.04441	0.9
91.05451	12.1
93.07018	1.0
95.04394	1.0
95.04947	17.4
97.02867	10.7
98.97538	1.4
99.04442	1.3
99.58614	0.6
102.09148	7.7
109.02868	3.0
109.06495	58.9
111.04409	0.8
112.07574	0.8
112.36873	0.6
113.05986	3.5
115.03869	1.0
116.98648	0.6
126.12759	21.9
126.13638	1.2
127.03880	3.8
127.07549	1.1
129.11707	0.6
129.61377	0.6
136.71722	0.6
137.05951	14.1
144.10201	8.6
144.13809	66.1
145.04964	2.6
148.09648	1.3
155.06998	100.0
162.05463	12.5
172.13333	4.0
173.08051	36.7
190.04929	9.6
190.10741	6.1
190.14342	52.5
204.92320	0.6
209.00667	0.8
224.28703	0.8
315.05252	0.6
321.78543	0.7
352.19611	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	351.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17034	0.3
58.02948	0.3
58.39790	0.3
59.40289	0.3
59.60527	0.3
60.50249	0.3
66.58816	0.3
67.05469	0.4
69.07051	1.6
73.83581	0.3
79.05478	0.7
81.07046	0.6
91.05511	0.3
91.20115	0.3
92.09235	2.2
92.54942	0.3
93.07011	0.5
94.04163	0.7
95.08566	0.5
95.68160	0.3
107.08601	0.7
108.55032	0.3
109.06484	0.4
109.10099	0.4
122.03627	4.2
133.10130	0.6
135.11690	0.7
137.05962	100.0
138.06293	0.4
139.41977	0.3
170.15311	0.4
182.15425	2.3
306.20618	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	351.2527
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
Peak:m/z	Relative Intensity
55.05499	11.5
55.61709	1.9
56.96539	2.4
57.03422	3.0
59.04997	3.4
64.51035	1.8
67.05484	26.0
69.03401	3.6
69.07046	13.0
71.04941	2.0
79.05471	40.5
81.03391	2.3
81.06656	2.9
81.07048	40.8
83.04981	4.2
85.02830	2.1
85.06535	2.9
91.05446	46.5
92.08976	17.1
92.63887	2.2
93.07018	67.2
95.04956	4.8
95.08586	41.0
97.06510	3.0
98.97571	14.0
105.07014	80.2
107.04898	3.4
107.08575	86.2
109.06496	12.0
109.10152	23.4
111.08067	2.7
116.98623	5.1
117.06989	22.6
119.08556	59.3
120.08134	2.2
121.06477	2.6
121.10118	31.3
123.08021	5.0
125.09642	3.1
129.06966	18.2
131.08540	41.2
133.10100	39.8
135.08031	11.3
135.11667	18.7
141.07007	3.8
142.07753	3.9
143.08531	40.4
145.10106	79.6
147.08044	3.4
147.11659	65.6
149.09604	8.7
149.13263	10.0
151.11122	3.7
155.08557	9.0
156.09326	4.6
157.10091	38.4
159.08066	2.7
159.11659	68.1
161.01144	2.4
161.09621	4.5
161.13225	29.3
162.05542	3.3
165.12708	3.4
167.08501	2.2
169.10107	12.7
171.11647	46.4
173.13225	17.7
175.11145	4.4
175.14767	8.9
177.12672	3.8
181.10172	2.9
183.11652	14.2
185.13203	24.5
187.11163	3.9
187.14793	15.1
189.12663	18.9
195.11621	3.8
197.13234	17.3
199.14812	15.1
201.12608	3.0
203.12621	2.4
203.14232	18.7
208.02582	2.5
209.13248	4.4
211.14789	4.8
213.16339	11.0
215.14278	4.0
219.01718	3.7
221.15282	3.0
223.14790	9.8
225.16579	2.3
239.17830	20.1
241.15884	3.1
253.19463	18.7
255.21068	5.0
257.18942	14.1
269.22482	4.0
271.20505	22.3
279.21057	29.3
285.22003	3.2
287.19861	3.0
297.22058	62.0
315.23105	77.4
333.24149	81.0
335.07858	2.5
351.25220	100.0
356.05136	3.1
363.36859	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81977	4.2
55.05494	22.6
57.03415	6.0
59.81957	3.9
67.05493	42.5
69.07043	20.3
79.05473	78.9
81.07042	47.6
91.05459	63.6
92.08990	6.5
93.07018	100.0
95.08583	28.6
105.06986	69.5
107.08584	43.8
109.10152	6.3
117.07009	20.3
119.08550	47.8
121.10125	38.1
123.11701	5.0
131.08534	17.5
133.10089	51.6
135.11684	27.6
143.08531	5.3
145.10066	19.7
147.11632	31.8
157.10004	6.4
159.11711	9.9
161.13246	8.5
172.12138	4.4
175.14763	6.9
211.59918	4.6
241.19482	8.3
259.20526	50.8
333.24228	6.7
351.21298	18.6
351.25272	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	351.2528
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
Peak:m/z	Relative Intensity
50.09445	0.7
55.05497	2.5
65.08870	1.0
67.05499	7.2
69.07049	1.9
70.04060	5.0
78.11294	0.9
79.05477	8.7
81.07032	9.9
91.05463	6.0
92.09122	4.7
93.07017	13.0
95.08601	11.4
105.06979	9.7
107.08590	10.8
109.06452	1.3
109.10156	5.4
111.08060	1.7
117.05756	1.1
117.06960	1.2
119.08569	25.2
121.10110	5.8
122.03651	5.2
123.08045	2.4
131.08546	5.9
133.10107	13.6
135.11670	4.8
137.05960	100.0
137.76459	1.1
140.42177	1.1
143.08524	1.1
145.10135	8.2
147.11700	4.5
149.09570	1.1
149.13225	1.7
157.10168	2.1
159.11641	9.0
161.13249	4.3
163.11180	1.1
169.10231	1.0
171.11705	4.5
173.13228	15.1
177.12888	1.2
177.52521	1.2
182.15421	1.2
183.11812	1.6
185.13316	2.2
187.14825	12.2
236.16206	1.2
239.17894	2.0
259.20438	4.1
279.20972	4.8
281.72849	1.2
297.22086	14.3
306.20566	4.6
315.23129	22.6
330.04135	1.1
333.24155	19.7
351.21414	1.9
351.25027	9.3
362.46609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38207	0.9
53.03931	4.8
53.80210	0.9
55.01859	1.3
55.05499	25.7
56.96547	1.9
57.03419	7.3
57.07074	1.7
64.84321	1.1
66.59215	1.2
66.75613	1.1
67.05484	43.8
69.07043	21.8
71.04974	2.2
73.89760	1.1
76.56364	1.1
79.05465	83.6
79.73904	1.3
81.07030	45.8
83.08601	7.1
85.06526	1.7
91.04877	2.2
91.05452	65.2
91.59315	1.1
93.07012	100.0
95.04931	8.8
95.08574	34.4
97.06485	1.7
97.10143	2.4
103.05434	1.7
105.04507	1.6
105.06998	63.0
107.08566	43.9
109.06516	1.3
109.10140	10.4
117.06995	12.7
119.08545	47.1
121.10106	31.4
123.08051	1.3
128.06313	1.7
129.06973	9.7
131.08524	21.7
133.10089	37.9
135.08038	1.2
135.11655	24.7
143.08539	8.8
145.10062	13.0
147.11650	26.9
149.13254	14.8
152.45749	1.3
156.09232	1.4
157.10121	7.3
159.11642	12.9
159.46759	1.3
161.13202	18.6
163.14803	5.1
171.11700	6.8
173.13242	5.6
175.14795	7.6
181.61838	1.2
185.13202	7.7
199.14771	5.5
213.16469	1.7
231.21016	5.8
241.19487	15.3
259.20483	45.3
277.21561	6.5
333.24005	2.5
351.21231	25.2
351.25269	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
Peak:m/z	Relative Intensity
51.61161	1.6
54.81617	1.6
55.05497	8.3
56.06421	1.5
57.07050	1.7
59.04981	2.5
64.33376	2.1
67.05496	25.0
68.16476	1.7
69.07045	8.5
71.04973	2.7
79.05472	48.0
81.07034	43.2
82.91970	1.7
83.04972	2.3
83.08591	4.6
85.06529	4.9
88.67456	1.7
91.05463	52.7
92.09320	3.3
93.07031	67.1
95.04940	11.5
95.08583	45.8
97.06519	3.0
105.06366	4.0
105.07018	82.2
107.08580	92.5
109.06521	9.4
109.10155	21.2
111.08074	2.1
117.06992	18.9
119.08556	76.9
121.06455	1.9
121.10120	31.4
123.08060	3.8
123.11671	3.2
128.06223	3.3
129.06960	14.1
130.07777	2.5
131.08537	45.8
133.10115	47.5
135.08055	19.1
135.11658	24.3
137.09575	2.2
141.07028	2.3
142.07780	7.7
143.08549	37.3
144.09329	2.1
145.10095	84.6
147.07948	2.6
147.11668	70.8
149.09552	3.2
149.13229	10.0
151.11174	4.1
155.08540	11.0
156.09351	10.5
157.10100	37.1
159.08032	2.1
159.11667	65.6
161.09579	7.9
161.13226	32.6
163.11121	3.6
165.12711	4.0
169.10048	24.8
171.11655	43.4
173.13210	23.3
175.11115	3.9
175.14827	9.5
177.12761	2.3
181.10146	4.0
182.10957	3.8
183.11613	17.9
185.13193	30.8
187.11179	12.2
187.14735	15.5
189.12694	20.4
195.11639	3.8
197.13248	18.8
199.14836	11.9
201.12744	8.0
201.16377	2.1
203.14307	27.5
209.13268	3.2
211.14867	7.7
213.16382	10.7
215.14250	7.5
215.17867	2.7
223.14775	9.9
224.44174	2.1
225.16393	2.6
227.17915	3.6
237.16301	4.3
239.17871	32.9
241.15771	2.8
251.18076	6.6
253.19455	31.1
255.20996	8.9
257.19061	14.0
258.84293	1.9
269.22552	9.1
271.20508	17.5
279.21011	29.2
285.22235	4.1
287.19870	2.8
297.22073	62.1
303.23068	3.0
315.23117	80.3
316.23352	2.4
333.24182	92.3
351.25244	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.7
55.05489	15.4
60.29635	2.7
62.52193	3.5
64.33291	2.8
67.05495	38.9
69.03426	3.6
69.07046	23.3
79.05482	32.8
81.07036	54.5
83.04980	3.9
83.08589	6.8
85.06474	3.7
86.75892	3.0
91.05455	49.3
93.07022	61.8
95.04861	4.4
95.08587	46.7
105.07004	69.2
107.08563	45.7
109.10136	62.0
117.07007	25.7
119.08543	54.6
120.59808	3.4
121.06471	5.1
121.10094	32.6
123.08005	4.7
123.11659	12.9
125.05984	4.2
128.06107	3.7
129.06963	19.7
130.85057	3.7
131.08546	72.8
133.10097	40.7
135.08066	4.1
135.11650	15.9
141.06938	3.7
142.07721	8.6
143.00121	4.4
143.08545	33.8
145.10083	85.5
147.08018	5.3
147.11661	41.4
149.01294	3.8
149.09583	3.9
149.13173	7.4
155.08531	22.6
156.09320	6.2
157.10106	34.2
159.11617	58.0
161.13229	12.9
167.08580	5.2
169.10123	23.0
171.11632	35.8
173.13254	48.1
175.07504	4.4
175.11070	3.9
179.06985	5.8
179.08559	4.8
181.10075	5.7
183.11687	14.7
185.13263	28.4
187.14719	4.0
189.12650	6.3
191.10663	8.0
193.10071	5.7
195.11580	14.4
197.13145	25.1
199.14723	26.6
201.12714	5.2
209.13245	7.7
211.14764	8.3
213.16254	6.0
218.10742	4.2
223.14810	14.5
224.15416	4.5
225.16246	6.5
233.13104	4.2
237.16278	4.4
239.17915	18.5
253.19354	25.7
254.20195	5.8
255.20995	40.2
269.22733	4.6
271.20453	6.7
279.21054	42.1
297.22043	95.0
315.23099	100.0
319.67368	4.1
325.23636	3.5
333.18344	16.8
333.24054	19.8
351.19846	26.1
351.25119	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
55.05501	22.8
55.05716	2.3
56.81009	2.0
57.03428	5.7
57.07060	4.3
57.30411	2.3
64.33417	3.1
67.05498	23.6
69.07056	13.6
79.05470	29.1
81.07040	49.0
83.04945	4.1
83.08602	4.1
85.06493	2.2
91.05461	32.7
93.07021	66.5
95.04935	3.8
95.08582	73.0
97.06522	4.0
97.10097	3.0
105.07007	59.0
107.08573	48.9
109.10147	26.0
111.08092	2.9
115.05496	3.0
115.23742	2.3
117.06988	13.5
119.08550	100.0
121.10107	33.2
123.08054	5.1
123.11676	5.6
124.74890	2.6
129.06970	6.3
131.08539	40.7
133.10104	54.9
135.11662	27.4
136.42201	2.4
137.09616	5.4
139.07439	3.1
143.08553	18.5
145.10104	52.4
147.11668	33.3
149.13293	13.6
157.10101	12.7
158.10883	4.5
159.07971	2.8
159.11667	43.3
161.13251	25.3
161.14461	4.0
163.11140	2.8
171.11575	21.0
173.13214	78.2
175.14772	23.1
175.31339	2.6
178.87119	2.8
181.12274	2.7
183.11719	2.9
185.13211	19.9
187.14804	38.2
197.13206	5.7
199.14760	29.5
201.16385	11.8
213.16389	10.9
215.17909	10.2
227.17934	5.9
229.19493	11.3
253.19572	5.9
255.21042	35.0
259.12393	2.7
259.16800	3.4
259.20544	18.5
273.22070	5.6
297.22061	10.6
315.23108	92.8
333.24142	98.0
346.15265	2.7
351.25177	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one
Peak:m/z	Relative Intensity
55.05489	2.4
59.04973	2.9
64.39223	1.7
67.05493	18.7
67.08250	1.4
69.07041	3.7
69.36488	1.5
71.04945	1.9
79.05476	25.0
81.07037	31.5
83.08587	4.1
85.06550	1.9
87.79025	1.5
91.05451	34.9
93.07018	49.1
95.04932	3.5
95.08579	28.1
97.06474	4.0
105.07008	59.9
107.08569	60.2
108.84453	1.6
109.06493	8.2
109.10136	18.9
117.06982	15.1
119.08560	44.6
121.06483	2.1
121.10106	19.9
123.08015	2.4
123.11681	2.2
128.06184	1.8
129.07005	13.2
130.07729	2.0
131.08527	31.5
133.10107	30.6
135.08038	7.6
135.11684	18.2
137.09621	2.7
141.06952	2.4
142.07758	3.5
143.08546	35.5
145.10114	53.0
147.08000	3.6
147.11664	55.1
149.13260	7.0
151.11098	2.1
154.07819	2.2
154.38228	1.7
155.08530	7.2
156.09322	2.7
157.10085	26.5
159.08055	3.0
159.11655	45.0
161.09491	2.4
161.13205	26.8
161.52327	1.8
163.11179	3.9
163.14827	2.1
167.08549	2.4
169.10065	21.7
171.11630	31.9
173.13219	17.7
175.11156	3.7
175.14882	3.6
181.10085	2.3
183.11661	12.0
185.13214	17.0
187.11127	17.6
187.14777	10.0
189.12679	9.8
195.11636	4.0
197.13219	14.4
199.14792	10.1
201.12706	6.2
203.14304	13.4
209.13210	3.0
211.14708	7.4
213.16341	10.5
215.14330	4.0
223.14763	9.2
237.16266	3.8
239.17867	18.0
253.19469	18.2
255.20911	8.4
257.18958	7.9
269.22534	9.8
271.20486	15.1
273.21933	2.2
279.21030	32.1
287.19989	2.0
287.23523	2.9
297.22079	62.5
314.55566	2.0
315.23102	52.8
329.98840	1.6
333.24158	70.5
351.21179	10.6
351.25201	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17342	3.4
53.03933	2.9
55.01869	4.0
55.05503	39.1
56.81610	3.4
57.03426	29.5
57.07063	6.7
61.02900	3.6
61.21434	3.0
61.65274	3.3
63.50790	3.0
67.05491	92.9
69.03407	6.1
69.07056	30.8
70.59496	3.5
71.04975	3.8
71.07670	3.1
71.08623	49.8
72.38957	4.1
72.84631	3.3
73.02921	4.0
79.05475	67.7
81.03379	6.2
81.07034	85.1
83.04955	14.9
83.08599	14.5
85.02886	6.3
91.05467	37.0
93.07027	76.7
95.04920	17.4
95.08594	45.5
97.02860	5.3
97.06502	8.7
97.10124	6.6
97.76044	3.5
99.08067	6.5
105.06944	25.2
107.04974	6.2
107.08572	45.1
109.10143	23.3
117.07034	12.6
119.08539	31.1
121.10107	31.3
129.06969	6.0
131.08539	15.5
133.03432	14.7
133.10109	29.8
135.08107	4.7
135.11716	25.6
143.08554	4.7
145.10124	14.2
147.11653	22.5
149.13179	4.9
151.04512	7.0
151.11157	25.7
159.11679	4.0
161.02966	5.7
161.13261	8.6
171.11707	4.9
173.13211	4.1
175.14708	3.9
179.14262	61.2
179.86002	3.6
187.04482	5.1
187.56828	3.8
259.20459	7.9
277.21515	30.6
321.22714	15.4
322.23157	4.2
329.11423	3.7
345.27512	4.0
351.18259	6.7
351.25156	100.0
351.29840	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67477	2.8
50.78913	2.4
52.54834	3.0
53.03955	4.1
54.82093	3.1
55.01857	4.5
55.05505	46.9
57.03424	26.3
57.07072	4.9
57.39733	3.0
67.05492	94.4
69.07058	44.9
70.83727	3.4
71.08607	59.9
79.05473	73.2
81.03394	6.1
81.06583	6.9
81.07034	90.9
83.04961	5.5
83.08615	14.3
91.05452	60.5
92.08566	3.4
92.09022	26.2
93.07021	91.9
94.46025	3.3
95.04940	23.5
95.08585	64.8
97.06512	14.1
97.10135	5.8
99.08076	23.1
105.06949	34.8
107.04945	7.7
107.08566	50.8
109.10133	30.3
117.06979	4.0
119.08546	39.1
121.09348	4.2
121.10101	32.4
123.11642	4.1
129.07004	7.4
131.08556	14.6
133.10066	37.7
135.08092	4.3
135.11673	26.6
143.08588	5.0
145.10104	17.8
147.11726	19.1
149.13254	15.0
151.11192	19.6
159.11687	16.9
161.13210	18.0
163.11090	6.3
167.10648	3.9
171.11728	4.4
179.14270	49.1
185.13057	4.4
241.19481	7.3
248.65268	3.9
259.20566	22.8
277.21622	32.1
345.59930	3.9
351.25244	100.0
351.29761	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	351.2525
Annotation	3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one
Peak:m/z	Relative Intensity
55.05496	17.9
59.04979	3.3
67.05493	30.4
69.03428	5.5
69.07043	19.9
71.04961	4.0
79.05478	39.4
81.03385	3.8
81.07038	47.9
83.08591	15.8
85.06535	4.2
91.05453	52.1
93.07022	63.1
95.04932	7.2
95.08606	40.3
95.28359	3.4
96.31185	3.3
97.06489	7.6
97.10152	7.8
98.97517	5.5
100.11223	8.1
100.41312	3.6
105.07027	72.6
106.01041	3.6
107.08575	100.0
109.06499	6.9
109.10141	27.4
111.04417	3.7
111.08086	4.7
111.47062	4.0
117.06998	25.9
119.08560	74.0
121.10134	27.0
123.08038	3.9
129.06953	14.9
131.08540	45.8
133.10109	43.5
135.08035	16.9
135.11652	20.3
137.09621	5.7
141.06970	4.5
142.07834	6.7
143.08563	47.1
145.10103	81.3
147.11678	57.1
149.09621	8.0
149.13254	8.3
151.11169	4.9
155.08511	5.0
157.10092	37.0
159.11653	57.5
161.09598	6.2
161.13243	32.9
169.10100	7.4
171.11630	47.5
173.13211	26.6
175.11194	13.5
175.14799	5.9
177.12639	5.2
183.11656	18.3
185.13168	29.2
187.11171	8.0
187.14792	8.1
189.12695	14.1
197.13216	18.6
199.14812	13.0
201.12666	5.1
203.14261	23.7
209.13152	6.0
211.14725	6.9
213.16386	5.6
223.14769	4.8
231.08138	4.0
237.16350	3.8
239.17894	18.8
253.19453	27.2
257.18948	18.1
269.22556	6.6
271.20551	23.2
279.18323	3.8
279.20938	35.0
290.09320	4.7
297.22113	56.1
307.62350	3.7
315.23184	75.3
319.09479	7.8
333.24158	82.0
351.12701	4.3
351.25406	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2136
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.79400	1.0
64.33496	1.6
65.57887	1.1
78.11055	1.2
85.82314	1.4
92.57204	1.4
120.60682	1.3
123.12080	1.3
135.49272	1.2
175.95889	1.4
351.21344	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	351.2135
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.16881	0.7
56.64568	0.7
62.43702	0.8
64.98322	0.7
67.05504	1.3
67.20682	1.0
81.07032	1.3
83.36622	0.8
105.07034	3.7
106.07310	1.4
119.08597	0.9
131.08614	0.8
133.10312	1.4
159.59540	0.8
291.79065	0.9
350.04132	0.9
351.21338	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	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.97055	1.3
54.12590	1.2
55.05506	3.2
55.49474	1.6
56.96547	1.4
62.51125	1.7
64.33524	1.9
67.05492	8.8
69.07050	3.8
79.05481	13.1
81.07038	10.1
90.95541	1.5
91.05463	8.1
93.07018	14.8
95.08572	9.2
105.07053	8.7
107.08569	7.0
119.08590	3.9
120.75322	1.7
121.10113	3.6
131.08560	2.0
133.10139	3.7
135.11720	2.5
145.10127	2.8
159.11644	1.7
161.13249	3.1
241.19493	3.5
259.20535	3.1
351.21368	100.0
351.24973	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	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11587	2.8
73.31392	4.1
86.62668	4.0
87.82155	3.6
104.82694	4.3
151.69754	4.0
196.48915	3.7
198.37865	3.8
351.06830	100.0
351.12427	16.5
352.64301	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	350.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95329	1.1
55.01868	10.1
55.05499	13.9
55.23590	1.3
57.03434	2.3
58.32650	1.1
65.03912	1.4
67.05492	22.9
69.03403	4.9
69.07050	1.3
71.04959	10.9
77.51163	1.2
79.05476	42.2
81.03414	1.6
81.07045	11.7
83.04967	8.1
85.02895	13.3
85.06525	21.9
86.09705	1.8
91.05465	5.5
92.08999	1.5
93.07028	20.7
95.04958	6.2
97.02876	8.5
99.04440	25.2
105.07025	5.5
107.04942	23.0
107.08579	73.0
107.09299	2.7
107.78182	1.4
109.06489	2.8
109.10170	7.0
111.04420	12.8
111.08068	2.1
112.56305	1.2
116.98611	1.3
117.06986	28.7
125.09608	19.4
127.03840	1.7
135.08028	59.7
141.51640	1.3
143.10635	2.4
143.35323	1.2
152.25925	1.3
153.08057	1.7
153.09085	87.9
171.10129	100.0
224.70776	1.2
251.46587	1.3
332.19440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05493	2.1
57.07069	6.5
64.84733	0.3
67.05474	2.2
69.07027	2.7
71.04961	0.5
71.08595	1.7
76.67895	0.4
79.05479	3.0
79.47155	0.4
81.07043	5.6
83.08619	0.7
85.06538	2.9
91.05419	1.6
92.09315	0.4
93.07013	2.7
95.08591	4.7
99.08046	0.8
105.06976	1.0
107.08562	2.4
109.06500	19.4
109.10133	0.9
111.08092	0.4
119.08529	2.3
121.10109	1.5
122.07268	2.3
123.08046	32.0
135.08012	4.8
137.09557	0.4
145.10066	0.8
147.11705	0.5
149.09563	0.6
161.76831	0.4
165.12784	0.7
167.14325	0.5
169.92209	0.4
179.14272	100.0
180.14691	0.5
193.15805	2.3
232.91530	0.4
280.18155	0.5
331.26410	1.6
349.27298	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.07793	0.5
52.58553	0.6
55.05505	9.0
57.07058	2.7
61.48263	0.6
67.05489	6.8
69.07050	16.4
71.04996	1.3
79.05474	6.8
81.07037	13.2
83.04956	1.1
83.08602	6.3
85.06532	0.8
91.05444	2.7
93.07019	7.0
95.04926	0.6
95.08583	10.8
97.06490	3.1
97.10134	0.9
105.07002	4.0
107.08582	8.2
109.06503	14.5
109.10162	4.3
111.08051	3.1
119.05872	0.6
119.08575	4.4
119.49702	0.5
121.10126	5.5
122.07224	0.8
123.08043	100.0
123.11685	1.2
131.08557	0.9
133.10132	3.1
135.08028	9.8
135.11690	1.5
136.08783	0.8
137.09592	4.8
145.10150	1.5
147.08073	1.3
147.11635	1.5
149.09607	2.3
149.13287	2.6
159.11667	1.1
161.13202	0.9
163.11143	0.8
165.12712	0.6
179.14279	9.5
228.44597	0.7
233.19040	0.8
275.20135	1.4
289.24948	0.7
293.21051	21.6
307.22583	0.8
331.26355	1.3
349.27304	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	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05290	0.6
55.05505	8.3
57.03420	0.7
57.07050	1.1
67.05479	5.2
69.07052	16.8
71.04970	1.2
77.28599	0.7
79.05460	6.4
81.07030	9.8
83.04958	1.5
83.08604	5.8
89.06792	0.6
91.05456	4.3
92.09306	1.5
93.07034	7.3
95.08583	9.8
97.06512	2.7
97.10126	0.8
105.07001	4.3
105.17879	0.6
107.08593	7.7
109.06504	17.7
109.10125	5.3
111.08045	2.6
119.08575	5.7
119.30882	0.6
121.10139	5.5
123.08046	100.0
123.11701	1.1
133.10071	3.5
135.08029	7.2
135.11656	1.3
137.09569	5.0
145.10078	1.1
147.08005	0.9
147.11694	1.4
149.09610	1.6
149.13197	1.3
159.11565	1.2
179.14291	2.9
228.98572	0.8
275.20007	2.9
289.25092	0.8
293.21048	20.7
307.22424	1.0
331.26315	3.8
349.27316	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05487	2.5
57.07059	4.8
67.05470	2.7
69.07029	2.2
71.08599	0.8
78.27598	0.7
79.05464	2.8
81.07039	5.8
83.04922	0.5
85.06515	2.7
91.05466	1.2
93.06998	2.3
95.08577	5.9
99.08040	0.5
105.06974	1.0
107.08558	0.9
109.06497	21.3
109.10133	1.1
119.08520	1.9
121.10120	1.0
122.07245	2.3
123.08036	27.1
133.10106	0.8
135.08025	3.9
137.09612	0.6
139.67406	0.5
179.14268	100.0
193.15831	2.4
240.41379	0.5
244.20589	0.5
251.17842	0.5
260.87274	0.6
331.26324	1.0
349.27295	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Isoramanone
Peak:m/z	Relative Intensity
53.03913	2.2
55.05502	13.0
56.96566	11.9
56.96793	1.2
57.03420	7.1
59.04977	1.4
66.17417	1.3
67.05484	22.4
69.03424	2.1
69.07050	12.7
73.22851	1.4
78.69292	1.3
79.05470	19.5
81.07034	33.2
83.04973	2.8
83.08604	6.8
85.06525	3.7
91.05474	14.0
92.08766	2.0
93.07017	33.0
95.04942	11.3
95.08586	40.4
96.42034	1.4
97.06464	2.8
98.97530	2.7
99.04446	2.3
99.08048	1.8
105.07018	36.5
107.04923	2.2
107.08582	28.9
109.06525	11.7
109.10143	46.6
111.08040	2.3
113.09634	1.4
116.98568	2.6
117.06980	10.1
119.08562	39.3
121.06506	2.7
121.10104	21.0
123.08041	3.5
123.11717	3.0
125.05967	1.5
128.06154	2.2
129.06973	9.3
131.08562	22.0
131.46022	1.5
133.10083	22.8
134.99655	3.2
135.08067	5.2
135.11646	15.8
137.09579	6.9
141.06972	3.3
142.07799	2.6
143.00111	10.8
143.08571	20.2
144.09277	1.5
145.10123	29.2
147.08034	8.6
147.11664	16.4
149.09607	9.4
149.13228	6.9
153.81133	1.6
155.08527	14.0
156.09305	2.8
157.10109	24.0
159.11655	30.8
161.01227	12.0
161.09578	11.3
161.13229	11.7
163.11182	8.8
163.14824	3.0
165.09171	1.7
168.09198	2.5
169.10118	14.9
170.10873	2.3
171.11636	27.0
173.13187	16.9
175.11089	2.4
175.14822	6.8
177.16336	2.1
181.10117	5.9
182.10681	1.6
183.11662	12.8
185.09511	2.0
185.13240	12.5
187.11244	2.1
187.14856	6.7
189.12709	2.0
189.16327	1.9
195.11699	7.5
197.13232	15.0
199.11017	1.9
199.14784	8.2
201.12794	1.5
201.16245	2.5
203.10582	1.7
203.14339	2.6
207.10077	2.6
209.13292	2.6
211.14766	13.7
213.12735	2.1
213.16399	9.9
215.14273	3.1
217.15936	2.1
221.13266	2.4
225.16380	3.0
227.14313	5.5
227.17996	3.0
237.16365	9.2
241.15926	1.8
251.17938	3.7
253.19482	31.6
255.17465	6.5
261.06418	1.9
267.21030	6.5
269.03595	1.5
269.18893	13.0
271.20493	36.0
277.19397	7.3
285.22101	2.9
295.20496	38.2
313.21561	100.0
331.22614	39.7
337.21606	2.5
349.16190	2.2
349.19751	10.3
349.23718	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.1
55.05497	21.1
57.03172	5.2
57.03427	79.8
57.07043	3.4
59.04982	3.7
61.02931	3.2
66.77865	2.9
67.05487	60.0
69.03416	4.0
69.07046	16.3
79.05476	55.6
81.07034	48.2
83.04956	3.9
83.08584	3.5
85.06504	18.0
91.05463	73.2
93.07016	71.7
95.04951	8.4
95.08573	39.3
97.06503	4.5
97.10147	5.5
105.07005	47.9
106.85426	3.4
107.04927	6.2
107.08575	30.2
109.06522	25.3
109.10143	13.4
115.05457	3.4
117.06991	23.9
119.08545	38.0
121.10103	13.1
123.08014	3.1
129.06940	5.8
131.08521	26.3
133.03473	4.2
133.10088	15.2
135.11635	4.6
143.08459	3.4
145.10077	20.2
147.11584	3.4
159.11658	5.2
173.13246	3.9
179.27986	3.3
201.16338	6.3
216.29184	3.3
219.17380	100.0
275.19949	8.1
277.32553	3.6
349.20148	3.8
349.23651	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Isoramanone
Peak:m/z	Relative Intensity
53.03959	1.4
53.30523	1.4
55.01862	2.0
55.05497	7.3
67.02268	1.5
67.05489	18.8
69.07058	7.6
79.05474	21.0
81.07039	26.8
83.08614	3.3
85.02896	9.1
85.06516	1.8
91.05450	27.3
93.07024	33.0
95.04948	2.3
95.08573	24.3
97.06516	2.4
105.07007	49.8
107.04942	2.4
107.08572	49.9
109.06504	9.2
109.10147	11.1
111.08080	2.6
113.05977	8.1
117.06976	11.3
119.08558	40.8
121.06477	15.6
121.10107	15.8
123.08028	13.0
123.11647	2.1
128.06146	1.9
129.07001	7.6
130.07761	2.0
131.08546	16.7
133.06487	3.9
133.10080	19.6
135.08038	9.0
135.11639	10.9
142.07761	3.7
143.08514	19.9
145.10092	34.3
147.08015	7.2
147.11653	51.5
147.12741	2.7
149.09604	4.0
149.13229	2.6
151.07446	1.9
151.11191	3.3
155.08507	5.4
157.10109	19.1
159.08086	3.1
159.11674	43.0
161.09613	9.7
161.13252	10.9
163.11203	2.9
165.12770	3.5
167.40219	2.2
167.54379	1.6
169.10132	10.0
171.07883	2.0
171.11617	12.9
173.09587	3.0
173.13211	15.1
175.11125	5.6
175.14781	2.6
177.12709	2.2
183.11653	7.2
185.09563	7.9
185.13188	9.3
187.11172	16.5
187.14790	11.1
189.12712	3.5
195.11703	6.5
197.13255	7.8
199.14859	3.5
201.12717	11.2
201.16379	3.6
203.10585	2.7
203.14375	2.2
205.12206	2.5
211.14825	2.6
213.12714	9.0
213.16319	3.4
215.14227	2.1
217.15796	2.7
219.13713	2.8
221.13483	1.6
223.14873	2.2
225.16374	2.7
239.14375	2.4
241.15739	1.9
253.15977	1.5
253.19365	12.2
255.17459	2.0
267.20935	8.6
269.18866	2.4
271.20532	12.5
277.19479	2.6
285.22083	7.8
289.21512	27.0
295.20486	27.9
303.23120	9.4
313.21512	54.4
331.22623	100.0
349.19580	12.1
349.23593	40.1
355.07123	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Isoramanone
Peak:m/z	Relative Intensity
50.96535	3.2
57.48082	3.1
67.05490	17.8
69.07059	6.6
79.05468	27.1
81.07030	36.1
85.06519	5.9
91.05457	46.5
92.08744	4.2
93.07014	57.2
95.04962	5.4
95.08585	34.8
97.06532	8.1
105.07025	78.6
107.04964	8.2
107.08566	54.1
109.06466	8.7
109.10163	7.1
117.07005	19.5
119.08538	48.4
121.10124	17.4
123.08020	37.0
128.06229	4.3
129.06981	7.0
131.08542	39.4
133.10118	40.7
135.08058	31.0
135.11700	7.4
142.07782	5.0
143.08513	35.1
143.34814	3.9
144.09273	4.6
145.10094	93.3
147.11681	9.7
149.09605	6.3
149.13245	5.4
155.08499	15.2
157.10135	44.7
159.11656	93.7
161.09567	6.8
161.13232	21.6
163.11143	18.9
169.10152	14.9
170.10901	4.4
171.11580	38.0
173.13243	19.3
175.11223	5.2
175.14787	8.6
177.12712	6.3
183.11684	21.2
185.13219	60.5
187.14771	5.0
189.12712	7.3
195.11594	9.0
197.13251	9.8
199.14740	6.9
203.14281	19.9
209.13197	4.3
211.14839	8.7
227.14246	4.6
228.14220	4.1
237.16364	14.8
242.04161	4.1
255.17403	29.7
269.18982	28.1
277.19516	15.4
283.20612	4.8
285.18512	7.0
285.22012	5.9
295.20483	56.3
313.21530	100.0
331.22638	79.8
349.23602	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
51.46733	2.2
53.95806	2.6
55.05496	16.8
57.03417	4.1
64.13754	2.5
67.05498	38.0
67.31294	2.5
69.07051	11.1
71.04971	3.2
75.98900	2.9
79.05471	37.5
79.72125	2.7
81.07039	76.9
83.04979	4.0
83.08619	6.9
85.06510	3.0
91.05455	36.4
92.55431	2.5
93.07023	48.0
95.04948	5.2
95.08585	47.2
97.06509	17.8
101.75105	3.3
105.07009	55.6
107.08578	46.3
109.06486	11.6
109.10129	18.8
111.08102	3.8
115.05471	2.8
117.06994	19.3
119.08572	43.0
121.06467	10.8
121.10121	16.4
123.08064	20.5
129.06967	13.2
131.08556	43.1
133.10106	38.7
135.08014	20.2
135.11659	11.8
141.06973	12.2
142.07747	4.7
143.08524	43.3
145.06490	3.2
145.10110	92.0
147.11661	15.2
149.13193	3.8
151.11185	6.2
155.08531	28.6
156.09322	3.3
157.10118	59.2
159.11678	42.0
161.09636	4.0
161.13268	7.0
162.54575	3.2
163.11171	3.9
163.61586	3.0
169.10088	27.4
171.10371	4.8
171.11630	28.5
173.09560	4.7
173.13219	18.4
173.64171	2.9
175.11136	6.4
179.08517	3.0
180.09337	5.1
181.10049	20.1
183.11685	23.9
185.09531	6.3
185.13232	16.4
187.11180	14.1
187.14818	3.5
189.12692	6.2
193.10202	4.2
195.11664	29.3
197.13225	31.9
199.14880	4.4
201.12697	3.9
205.10078	3.9
206.10968	3.6
207.11671	11.8
209.13251	22.0
211.14713	20.1
213.12726	7.0
215.14308	5.0
220.12437	3.1
221.13246	16.0
223.14767	5.6
225.16412	11.6
227.14331	4.3
229.16016	3.9
235.14769	11.8
236.15627	4.4
237.16328	22.8
241.15782	3.8
251.17804	26.3
253.15871	13.0
253.19499	12.0
255.17351	10.5
258.51941	3.0
263.21442	3.0
267.20993	6.8
269.18896	15.7
271.20731	4.0
277.19440	16.6
283.20523	4.4
295.20538	79.9
313.21533	92.4
331.22635	100.0
349.23685	74.1
351.16702	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Isoramanone
Peak:m/z	Relative Intensity
53.03923	1.3
54.56004	1.0
54.81681	1.3
55.01860	1.8
55.05492	8.2
56.96541	1.5
57.03421	1.6
57.07070	1.4
57.65702	1.3
58.58298	1.2
59.92759	1.1
64.98170	1.0
67.05489	22.8
69.03397	6.0
69.07050	9.1
79.05464	28.8
79.38533	1.2
81.07037	33.1
83.04974	3.3
83.08611	4.9
85.02876	10.1
85.06520	5.3
87.04440	1.4
91.05454	36.3
93.07017	41.2
95.04948	5.3
95.08582	36.5
97.02884	1.4
97.06510	7.9
98.97514	2.4
105.07007	56.9
107.04951	2.4
107.08569	56.4
109.06518	15.1
109.10136	10.9
111.08080	2.4
113.05976	11.8
116.98592	2.2
117.07009	10.8
119.08556	43.5
120.08093	5.4
121.06474	19.4
121.10110	20.3
123.08048	12.2
123.11694	2.3
126.59473	1.4
127.07450	1.5
128.06125	2.0
129.06946	9.7
130.07744	1.4
131.08528	27.9
133.06454	5.5
133.10100	25.0
135.08020	11.0
135.11671	14.6
137.09610	6.8
141.06929	1.8
142.07787	5.6
143.08546	19.9
145.06503	3.2
145.10094	45.9
147.08055	11.5
147.11662	63.8
149.09576	6.2
149.13234	3.1
151.07507	3.0
151.11121	1.9
154.07774	2.1
155.08519	6.5
157.10106	25.3
159.07999	6.5
159.11644	39.0
161.09612	12.6
161.13234	7.4
163.11133	3.2
165.12721	6.4
167.08493	1.7
169.10095	12.8
171.08105	1.5
171.11641	16.2
173.09630	5.2
173.13202	22.4
175.11147	8.8
177.12688	5.5
178.64120	1.6
181.10089	2.9
181.72612	1.4
183.11656	11.7
185.09644	9.7
185.13266	14.3
185.14754	1.7
187.11115	22.2
187.14667	9.8
189.12691	6.5
195.11639	6.8
197.13193	7.4
199.11128	6.9
199.14815	2.6
201.12701	16.1
201.16357	4.7
203.10616	2.0
205.12204	1.9
209.13124	1.7
210.13965	1.4
211.14771	8.5
213.12686	10.3
213.16284	5.3
215.14247	2.4
219.01881	1.7
219.13776	2.9
221.13208	1.8
223.14836	1.5
225.16270	3.2
227.14369	1.7
227.17836	2.2
229.15710	1.7
235.14763	2.2
237.02695	5.1
237.16267	5.0
239.14285	1.8
251.17903	5.1
253.19460	14.6
255.17349	2.5
267.17673	1.3
267.21057	8.3
269.18958	6.2
271.20450	14.4
277.19427	6.6
279.03708	1.7
285.22089	8.5
287.19940	8.5
289.21509	23.9
295.20477	37.0
303.23145	6.1
313.21567	64.1
321.04550	1.8
331.22614	100.0
349.16193	1.5
349.23648	25.9
371.58890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Isoramanone
Peak:m/z	Relative Intensity
53.03922	2.4
54.92640	1.2
55.05513	12.0
55.86842	1.7
57.03416	6.7
65.03903	1.7
67.05496	29.1
69.07044	5.9
78.76306	1.4
79.05474	29.2
81.07033	45.8
83.04938	2.7
83.08595	3.6
85.06527	7.0
91.05465	23.9
92.08618	3.0
93.06419	1.7
93.07021	48.6
95.04919	7.2
95.08589	83.3
97.02845	1.9
97.06510	9.2
101.44587	1.6
105.07016	39.0
107.04924	21.6
107.08575	46.0
109.06492	11.6
109.10147	22.4
111.08065	7.9
117.07026	13.4
119.08558	44.8
121.02835	17.9
121.06480	9.9
121.10126	21.8
123.08028	15.5
123.11658	6.1
128.06184	1.6
129.06972	3.8
131.08539	27.1
133.10106	41.5
135.08022	66.6
135.11653	29.4
139.07497	3.8
142.07704	2.5
143.08519	16.1
145.06451	1.9
145.10097	34.5
147.08061	2.7
147.11668	14.1
149.09607	3.1
149.13260	11.9
151.11101	2.3
155.08514	8.1
156.09273	2.3
157.10068	21.6
158.10846	1.9
159.08073	3.1
159.11665	38.4
161.09538	6.3
161.13235	11.6
163.11143	8.9
169.10056	6.5
171.11586	16.1
173.09529	3.8
173.13226	41.2
175.11136	9.9
175.14798	2.9
177.12735	14.7
181.10019	2.8
182.48814	1.9
183.11684	6.1
185.13251	6.5
187.11101	5.7
187.14699	2.2
189.12703	2.3
191.14215	2.9
195.11633	6.6
197.13205	8.6
199.14813	3.4
201.12679	6.5
207.11618	1.8
209.13274	2.2
211.14757	8.5
213.12682	2.6
213.16356	2.3
215.14249	3.6
223.14789	8.5
225.16165	1.7
227.14384	2.1
235.14842	2.3
237.16379	2.6
239.14211	1.7
241.15860	1.9
251.17894	6.3
251.21475	1.6
253.19542	11.5
255.17430	3.4
267.20920	9.1
271.20349	2.5
277.19464	9.5
285.22058	2.4
295.20493	43.4
313.17914	3.4
313.21555	100.0
331.22620	68.7
339.05615	1.9
349.08914	1.8
349.23694	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	349.237
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
53.52539	2.4
55.01885	2.6
55.05508	23.2
55.61432	2.6
56.67509	2.4
64.33938	3.2
67.05486	40.6
68.18241	2.5
69.07038	16.8
70.58701	2.6
71.04980	11.6
73.65029	3.0
79.05473	34.1
80.34462	2.7
81.07037	85.4
83.04967	6.4
83.08597	5.0
85.06487	3.9
91.05466	41.8
93.07028	46.3
95.04955	4.2
95.08576	49.3
97.06530	14.4
99.04364	2.9
100.11219	5.7
105.07009	69.0
107.08579	51.3
109.06499	16.1
109.10140	20.2
111.08077	7.1
117.07010	19.5
118.12251	3.5
119.08533	41.6
121.06501	6.6
121.10129	17.5
123.08046	28.1
128.06172	5.3
129.06989	17.6
130.07779	4.8
131.08565	34.2
133.10104	37.4
135.08003	17.7
135.11673	13.3
141.06958	13.1
142.07742	12.7
143.08519	48.7
144.09276	4.0
145.06487	4.5
145.10098	100.0
147.08025	4.3
147.11652	23.2
149.13243	4.7
151.11201	7.1
153.14713	3.7
155.08531	22.1
156.09300	4.7
157.10100	46.8
159.08049	4.5
159.11633	47.1
161.09616	5.6
161.13156	4.1
163.11116	6.3
165.06921	4.0
167.08553	6.3
168.09322	3.4
169.10110	32.6
171.11633	28.5
173.09537	3.6
173.13208	19.2
175.11191	12.2
179.08519	3.1
181.10136	24.6
182.10980	3.4
182.15443	3.9
183.11746	25.3
185.09579	4.7
185.13243	17.6
187.11127	15.8
187.14865	5.9
189.12711	12.0
193.10162	4.9
194.10777	4.1
195.11664	27.8
197.13216	28.8
199.14835	15.0
201.12585	3.6
207.11649	4.3
209.13246	25.0
211.14784	28.1
213.12788	4.6
213.16313	4.7
215.14336	5.9
221.13220	20.2
222.14122	3.4
223.14853	12.2
224.93881	3.0
225.16397	5.1
227.17879	3.6
229.15886	3.4
235.14813	5.6
236.15627	5.7
237.16246	22.9
243.17468	3.1
249.16373	4.7
251.17905	35.8
253.15779	6.5
253.19427	12.9
255.17397	6.9
262.17053	5.0
267.20950	6.8
269.18973	12.8
277.19345	21.1
283.20529	3.8
285.22021	4.4
295.20422	62.9
313.21561	71.7
331.22531	91.3
349.23672	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
55.01863	1.6
55.05498	12.5
56.96542	1.3
57.07054	0.9
61.02909	5.0
67.05499	14.2
69.07043	2.4
69.80187	1.1
71.04976	4.8
75.47868	0.9
79.05466	20.2
81.07033	28.7
83.04958	13.4
83.08606	16.5
85.06491	2.1
87.04434	1.8
88.29631	1.0
91.05450	15.9
93.07033	18.7
95.04955	4.6
95.08593	20.7
96.08948	0.9
97.06502	80.2
105.00357	2.3
105.07018	24.7
107.04922	1.8
107.08566	17.3
109.06499	100.0
109.10136	6.2
111.04446	1.8
115.02408	1.6
117.06981	6.7
119.01881	11.6
119.08550	25.4
121.06488	12.1
121.10149	7.8
123.08044	27.1
127.07558	1.4
128.06219	2.0
129.07011	9.4
129.07822	0.9
131.01877	2.0
131.08551	16.3
131.12019	1.0
133.03458	2.2
133.06339	1.2
133.10115	14.4
135.08040	1.9
135.11649	5.1
137.02930	4.3
137.09625	2.3
141.06969	1.5
142.07758	4.8
143.08556	21.3
145.03435	4.6
145.10095	29.4
147.08043	5.7
147.11697	12.4
149.06012	1.2
149.09586	2.2
149.13237	2.1
155.08545	4.7
156.09293	2.7
157.03435	4.9
157.10100	18.4
159.04953	2.5
159.08046	1.1
159.11652	18.8
161.01231	1.2
161.09509	2.0
161.13249	8.3
163.11168	6.5
163.14743	1.5
164.12726	1.0
167.08499	2.0
168.09308	1.8
169.03395	12.2
169.10039	11.1
170.10812	1.8
171.04880	1.9
171.11647	24.6
173.09718	1.5
173.13220	10.9
175.04408	2.2
175.05830	1.2
175.11169	2.3
175.14780	6.2
179.08464	1.9
181.10118	4.5
181.54279	1.2
183.11655	9.3
185.13258	9.7
186.03705	1.4
187.04472	25.5
187.11137	5.0
187.14793	6.6
188.04556	2.0
189.06065	4.5
189.12701	5.2
193.10088	1.8
195.11612	8.5
197.13271	5.8
199.11165	1.3
199.14789	12.4
201.05994	7.9
201.12698	2.1
203.10710	1.6
205.05563	9.1
207.11562	1.4
209.13185	7.7
211.04456	1.7
211.14804	7.2
213.12753	2.1
213.16409	4.5
214.13452	1.3
215.14154	1.7
217.15900	4.3
221.13264	2.1
223.14798	4.4
225.12978	1.3
225.16391	4.4
229.15852	1.7
235.14835	1.6
237.16403	5.0
239.14232	2.4
241.15825	4.9
243.07082	5.3
249.16205	1.3
251.17982	1.7
253.12904	1.0
253.15831	5.1
253.19473	6.9
255.13751	2.2
255.17407	2.6
261.08170	10.6
265.19516	1.4
267.17352	1.3
269.18939	8.4
271.20441	6.0
277.19473	9.3
280.18106	1.4
283.20560	1.6
285.76804	1.1
287.19962	4.1
295.20477	22.4
313.21548	24.3
331.22537	30.1
337.21555	13.4
338.21899	2.0
349.23657	90.7
355.22470	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	349.237
Annotation	Isoramanone
Peak:m/z	Relative Intensity
54.81228	3.0
55.01860	3.6
55.05498	4.1
59.04980	6.3
67.05485	16.5
69.07057	5.1
79.05475	25.2
81.07034	28.0
83.04958	6.2
83.81355	2.6
85.06499	5.4
91.05450	29.0
92.09380	11.0
93.07024	45.0
95.04961	3.5
95.08585	40.6
97.06509	14.8
105.07013	62.2
107.04967	3.6
107.08571	46.7
109.06489	15.3
109.10140	6.3
117.07008	18.4
119.08560	50.0
121.10101	19.2
123.08028	29.7
129.06979	13.4
131.08534	31.7
133.06512	3.0
133.10094	31.1
135.08023	23.1
135.11670	14.5
137.09576	5.3
142.07765	6.2
143.08514	26.4
145.10104	75.8
147.11639	19.0
149.09607	10.0
149.13162	2.9
151.11139	3.5
155.08525	12.8
156.09322	4.1
157.10107	38.5
159.11670	79.8
161.09589	5.1
161.13170	18.8
163.11143	19.9
169.10117	17.2
171.11653	34.3
173.13206	14.8
175.11143	5.8
175.14783	14.2
177.12724	3.5
181.10100	4.0
183.11620	16.1
185.13225	42.8
187.11067	4.1
187.14828	3.1
189.12636	4.8
195.11670	16.9
197.13208	6.5
199.14760	3.4
201.12756	3.7
203.14252	27.8
209.13258	5.5
211.14830	11.3
213.12766	3.8
213.16362	3.5
215.14310	3.5
219.13814	3.8
221.13341	4.8
225.16399	4.0
229.15936	3.5
235.14769	4.0
237.16345	15.8
251.17953	4.1
253.19557	3.7
255.17377	27.8
267.20959	4.4
269.18936	31.8
277.19373	6.1
285.18521	3.5
285.22043	12.5
295.20505	48.7
313.21594	100.0
331.22604	76.7
349.23621	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Isoramanone
Peak:m/z	Relative Intensity
55.01868	1.8
55.05499	7.7
56.96560	1.3
57.03427	5.4
67.05482	22.7
69.03400	2.2
69.07063	9.2
79.03373	1.4
79.05472	17.8
80.77528	1.1
81.07030	27.9
83.04971	2.6
83.08617	5.5
85.06511	1.6
88.72194	1.2
91.05477	16.5
91.33111	1.3
93.07022	29.1
95.04942	13.9
95.08582	34.1
97.06544	1.6
97.19758	1.4
105.07012	39.1
107.08573	29.6
109.06492	12.1
109.10139	40.9
111.08041	2.4
117.07020	7.0
119.08567	30.0
121.06455	11.5
121.10117	14.1
123.08045	5.4
123.11669	2.3
125.09550	1.5
128.06172	2.2
129.06989	4.9
131.08551	23.4
133.10077	21.9
135.08057	5.6
135.11635	16.7
137.09596	3.4
141.06985	2.2
143.08546	21.1
144.74355	1.5
145.10098	26.6
147.08035	9.4
147.11609	13.7
149.09648	3.1
149.13260	6.7
153.19820	1.6
155.08566	5.7
156.09320	3.0
157.10083	20.1
159.08028	1.8
159.11671	19.5
161.01207	1.7
161.09578	10.0
161.13223	8.8
163.11128	7.5
163.14818	1.9
167.08499	1.5
169.10046	13.6
171.11668	26.5
173.09612	1.7
173.13251	15.2
175.11191	2.5
175.14754	11.0
177.16331	1.8
181.10114	2.2
183.11613	10.2
185.13228	9.7
187.11110	2.1
187.14804	6.8
189.12730	2.8
189.16382	2.3
195.11684	8.9
197.13232	15.9
199.14854	7.5
201.12691	1.9
201.16289	1.6
203.14236	1.5
207.10104	1.7
209.13278	5.5
211.14777	13.0
213.16426	11.4
215.14317	3.1
217.12334	1.6
221.13243	1.9
225.16420	5.7
227.14243	2.3
227.17857	3.2
237.16357	6.6
241.15891	1.8
251.17908	2.4
253.15726	1.7
253.16653	1.5
253.19447	28.7
255.17400	7.8
267.21097	2.2
269.18942	12.9
270.19806	1.8
271.20493	34.9
277.19446	7.2
285.22192	2.4
295.20490	35.1
313.21558	100.0
317.78351	1.7
331.22586	38.4
349.19693	6.3
349.23669	27.7
363.98257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14248	22.3
55.05487	33.8
56.96542	100.0
67.05480	34.1
69.07060	88.5
81.07059	28.1
83.08611	44.0
91.05442	26.0
93.07041	37.8
97.05883	22.1
97.10171	48.8
105.06973	24.2
107.08596	36.1
117.95924	33.0
125.09622	30.9
214.06812	25.3
229.07422	27.0
231.08963	52.3
247.08464	28.6
247.65251	23.4
309.56232	24.9
313.24173	24.4
348.57187	29.8
349.17584	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89113	3.9
67.63588	5.0
69.03420	5.2
70.06563	5.9
72.08146	6.4
84.04481	11.1
84.08131	5.8
85.02877	8.7
86.09699	10.7
92.09161	5.7
120.36428	5.0
123.04356	8.0
136.06163	26.1
137.06569	6.7
137.72325	4.3
151.03868	5.9
151.43832	5.4
165.15736	6.0
167.06967	9.0
205.08945	5.9
349.09000	100.0
349.14511	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	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76207	4.9
51.62843	5.4
55.01852	5.7
55.05507	29.5
56.96554	99.8
57.03425	9.5
67.05488	34.1
69.03448	6.2
69.07052	36.0
79.05479	55.4
81.07047	54.8
83.08624	7.3
88.45768	7.4
91.05466	35.4
92.08766	15.2
92.09263	8.1
93.07037	46.5
95.04963	9.7
95.08566	30.8
95.55103	6.8
105.07004	32.7
107.08611	14.6
109.06480	7.8
109.10133	8.0
119.08588	11.2
121.06417	7.6
121.10139	7.6
131.08572	16.5
133.10124	13.3
145.10165	13.9
199.06454	10.7
211.06567	10.6
213.07948	55.9
217.07475	29.2
229.07422	98.1
231.09003	100.0
243.09004	16.6
247.08472	86.2
249.92447	8.1
255.97488	10.2
261.10135	14.3
275.20053	67.5
331.15723	7.8
340.84167	8.2
349.17010	96.9
349.23703	39.1
367.17947	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	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
65.78610	0.7
69.03421	0.8
73.20727	0.6
81.44247	0.6
86.09680	0.9
121.09226	0.7
147.04448	1.0
185.04189	1.3
187.03572	1.2
349.08865	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	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98386	0.9
55.05511	12.8
55.13482	0.8
56.96552	1.3
57.03427	10.5
57.07041	1.1
59.04982	5.7
67.05490	84.0
69.07049	6.9
71.04955	4.4
71.08613	1.0
77.93898	1.1
79.05466	6.1
81.03389	1.1
81.07037	29.6
82.07376	1.4
83.04956	2.3
83.08595	9.4
85.06523	4.8
87.04469	1.2
91.05458	4.7
93.07011	10.2
95.04951	1.8
95.08575	12.0
97.06517	4.0
97.10151	1.8
105.07020	4.3
107.08566	5.2
109.10140	94.2
111.08051	4.6
113.05962	1.2
119.08553	9.2
121.10097	1.7
123.08048	2.3
123.11681	1.9
125.09560	1.4
131.08577	1.4
133.10098	1.9
137.09601	5.8
143.08560	1.5
147.11713	1.2
155.10648	12.9
161.01225	1.3
173.11697	100.0
174.09898	1.2
175.02840	1.1
211.14427	1.3
224.15015	1.1
236.15213	1.4
254.16164	4.2
277.21417	1.7
294.19196	4.0
295.22626	1.8
312.20328	19.6
330.21329	6.6
341.93518	1.0
348.22452	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	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.2
53.03933	2.6
55.01859	8.9
55.05505	54.6
56.18818	0.9
57.03421	7.8
57.07070	2.2
64.33969	0.9
67.05492	80.3
67.66469	1.0
69.03419	1.7
69.07053	29.3
71.04977	6.5
71.08614	21.1
79.05471	38.4
81.03403	2.4
81.07038	100.0
83.04972	13.0
83.08604	41.7
85.06537	4.5
87.77936	1.0
91.05459	29.3
93.07022	65.6
94.06553	1.0
95.04956	7.5
95.08585	31.9
97.06491	11.3
97.10147	26.4
97.56497	1.2
99.08066	13.2
105.07007	20.1
107.08579	38.5
109.06520	2.3
109.10141	24.0
111.08073	11.1
113.09694	1.8
117.06995	12.4
119.08578	11.3
121.06496	2.2
121.10134	15.6
123.07980	1.8
123.11670	9.2
125.09594	15.3
131.08549	9.9
133.10095	22.9
135.08049	2.3
135.11664	17.4
137.09685	1.2
145.10135	1.7
147.11679	5.9
149.13232	35.6
149.14322	2.0
150.04233	1.0
151.11143	16.4
155.10666	1.5
157.03087	1.3
159.11671	18.3
161.13249	5.6
163.11177	2.4
165.12730	4.7
167.14259	1.5
173.11734	13.3
173.13106	1.8
175.14722	1.7
175.45047	1.2
177.12735	9.0
179.14235	2.3
189.11192	11.9
195.13774	58.0
213.14832	46.1
241.19501	2.3
258.16422	1.1
259.20483	2.3
277.21567	30.3
295.22623	13.9
353.98291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.4
67.05499	16.2
69.07056	1.6
71.04983	7.6
79.05466	12.1
81.07038	24.8
83.04964	1.8
83.08612	2.3
85.06529	16.9
91.05457	11.5
92.09159	6.3
93.07018	21.3
95.04953	1.5
95.08582	28.3
97.06504	7.9
98.06823	1.4
98.60854	1.1
101.56741	1.1
104.16735	1.0
105.07016	39.2
107.04932	2.1
107.08580	18.0
109.06524	11.6
109.10136	9.1
110.06882	1.6
116.06225	1.2
117.07010	7.3
118.93984	1.1
119.08578	12.9
121.06504	2.2
121.10117	8.1
121.27409	1.2
123.08031	13.1
124.56354	1.1
128.06204	1.1
129.05078	1.1
129.07007	6.1
131.08543	20.0
133.10121	19.3
135.08069	4.9
135.11646	7.5
137.09596	2.4
142.07790	1.5
143.08539	17.7
145.10117	21.7
146.10519	1.6
147.11693	16.0
149.09576	1.9
149.13301	2.0
155.08473	8.2
156.09360	1.1
157.10104	26.2
159.11676	25.5
161.09633	2.7
161.13252	6.6
163.11194	4.5
169.10112	10.5
171.11671	15.6
173.00310	1.0
173.09581	1.5
173.13266	9.0
175.11153	14.9
177.12775	4.6
181.10161	5.0
182.10896	1.5
183.11726	6.4
185.13307	6.4
187.11191	5.6
187.14787	1.3
189.12700	5.4
191.14299	4.5
195.11685	7.6
196.12416	1.8
197.13226	13.6
199.14798	7.2
201.12747	4.8
209.13287	2.7
209.15201	1.2
211.11316	1.1
211.14745	9.7
213.12752	1.3
213.16484	1.7
215.14314	1.6
221.13223	4.9
223.14851	5.7
225.16376	6.9
227.17938	1.9
229.15863	1.9
235.14851	1.7
237.16264	4.2
239.14261	1.6
241.15840	13.1
251.17888	11.1
252.18810	2.5
253.15833	1.6
253.16621	1.8
253.19440	29.0
253.48892	1.2
267.21204	2.4
269.18900	6.4
271.20499	14.0
277.19479	8.4
295.20499	44.5
312.20535	1.9
313.21567	55.4
313.25073	2.2
331.18744	1.9
331.22638	47.8
331.26483	2.1
348.25354	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	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01862	0.7
57.03411	2.3
61.02912	4.3
69.03413	6.0
71.04948	0.6
73.02904	0.8
81.03393	2.4
85.02886	26.0
91.03925	0.7
91.05456	19.1
92.09016	1.8
95.04940	2.7
97.02869	7.5
99.04420	0.7
101.02398	0.4
106.64149	0.4
109.02854	0.7
112.97874	0.4
117.15247	0.4
119.04921	22.3
127.03899	3.6
136.05168	2.9
137.05927	1.7
145.04939	3.1
151.07516	100.0
165.09079	0.9
169.08560	7.2
180.08621	1.9
186.11203	0.5
193.08684	0.4
194.71710	0.4
277.10730	0.6
304.15253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
56.79068	0.3
56.96563	0.5
57.03431	3.2
60.04497	0.6
61.02912	2.4
67.05506	0.8
67.10445	0.4
69.03418	5.5
70.06583	2.3
72.66953	0.5
73.02923	0.8
81.03387	2.0
84.04492	2.0
85.02886	25.8
86.09687	3.8
88.11351	0.4
90.27959	0.4
95.04942	2.8
97.02863	6.6
98.97540	0.7
98.98464	2.6
99.04428	0.7
105.07033	2.7
109.02845	0.8
109.06560	0.6
111.04475	0.6
113.03479	2.3
114.03815	0.5
115.03931	0.9
119.03517	0.8
123.04405	100.0
127.03895	2.9
130.05031	0.6
133.06433	3.8
136.06163	92.7
137.04498	0.7
143.46646	0.5
145.04962	2.1
151.03882	16.9
151.07483	4.0
164.99426	1.9
169.04913	22.7
169.06328	0.7
180.08624	0.8
185.09174	0.9
186.07658	0.6
186.09499	1.0
200.41887	0.6
216.07008	0.6
237.02808	0.5
337.31039	0.5
348.06955	7.9
348.13177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0702
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
57.03422	0.7
58.36612	0.2
61.02901	0.3
64.33304	0.1
64.63153	0.1
67.05481	0.2
69.03413	2.3
73.02875	0.2
81.03407	0.2
84.04482	0.3
85.02892	11.6
86.09679	0.8
94.04020	0.2
95.04936	0.3
96.79885	0.1
97.02876	3.0
98.97513	0.2
98.98448	3.8
115.03960	0.2
119.03509	1.3
123.04404	15.7
127.03863	0.2
129.02559	0.2
133.06497	0.2
136.06165	100.0
136.99963	0.7
137.04611	1.3
137.06450	0.2
145.04890	0.3
148.03946	0.3
150.04535	0.2
151.03870	3.0
151.07491	0.2
164.26288	0.2
164.99452	3.8
166.04967	0.8
167.05305	0.4
168.05408	0.2
169.04944	4.7
180.08659	0.3
184.05991	0.2
185.06230	0.2
185.09297	0.3
213.01569	0.3
219.47295	0.2
228.03499	0.2
346.42978	0.2
348.06967	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	347.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44484	0.8
53.00288	1.3
55.05234	1.1
55.05502	28.0
57.07068	16.7
57.62777	1.0
58.14709	1.0
58.83379	1.0
67.05145	1.1
67.05495	28.6
69.07053	74.0
71.04969	2.2
71.08607	6.9
73.06541	1.6
79.05467	12.6
81.07037	100.0
83.08606	32.0
85.06519	5.7
85.10175	1.5
93.07019	13.5
95.08580	84.4
97.10146	21.3
99.08054	9.7
105.19123	1.1
107.08594	14.6
109.10139	57.1
111.08091	2.3
111.11689	12.4
113.09647	1.7
121.10109	8.1
123.11683	27.5
125.13248	5.1
126.35551	1.1
127.11134	1.8
135.11638	8.2
137.13240	13.5
149.13213	6.6
151.14787	5.6
163.14796	5.4
165.16341	2.1
179.17952	2.3
186.77840	1.5
191.17867	1.8
207.21138	1.2
223.20514	1.3
239.23814	1.1
263.27301	2.5
275.27164	4.3
281.28336	10.9
293.28314	14.7
311.29428	2.4
313.12625	1.2
316.09845	1.2
336.98856	1.1
365.54889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2213
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
51.01432	1.0
51.51044	1.0
55.01873	2.4
55.05501	5.3
57.21387	1.2
59.05025	1.2
62.50385	1.0
67.05500	10.2
67.05785	1.3
67.73806	1.0
68.05834	1.5
69.07051	3.0
71.20743	1.0
71.26604	1.2
79.05469	13.8
81.07037	33.7
83.04976	12.9
83.08598	2.2
85.06591	1.3
91.05450	6.8
93.07027	19.8
95.08578	7.6
97.06502	23.8
105.07014	9.9
107.08579	13.0
109.06502	9.3
109.10148	14.4
117.07008	2.2
119.08564	7.2
121.06483	5.4
121.10091	1.9
123.08070	12.3
128.06219	1.6
131.08546	8.1
133.06487	2.2
133.10141	8.5
135.08012	10.9
135.98306	1.2
137.09523	1.2
141.06902	1.2
143.08527	12.2
145.06491	1.5
145.10118	7.9
147.08061	7.7
147.11681	4.7
148.08873	1.5
149.09641	1.8
155.08533	2.9
157.10069	4.7
159.08061	11.8
159.11696	4.5
161.09569	7.8
169.10086	6.5
171.07991	2.7
171.11708	7.7
173.09602	16.8
175.09845	1.4
175.11140	10.9
177.09048	8.7
181.10164	2.5
183.11624	4.7
185.09598	4.7
187.11191	2.5
189.12700	6.5
193.10126	1.8
195.11665	5.6
197.09584	2.6
199.11171	1.6
203.10645	8.6
207.11600	1.9
209.13254	2.6
210.14070	4.9
211.11166	2.0
211.14836	2.4
213.12714	2.5
221.13388	2.1
223.11107	11.2
223.14745	1.4
224.11925	5.6
225.12788	2.5
227.14133	2.3
229.12300	2.1
231.13792	7.9
235.14777	8.0
237.12640	4.8
238.13422	2.1
239.14296	1.6
241.12201	6.4
251.17838	1.7
253.15817	28.1
254.54030	1.3
255.13820	1.8
264.05008	1.3
267.17422	2.5
269.18961	6.7
277.55609	1.3
293.19025	17.7
311.19986	100.0
329.21021	37.5
347.18204	14.3
347.22125	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2213
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05492	21.3
56.96559	4.2
57.03403	3.4
57.07053	3.7
63.12434	2.6
64.47060	3.0
65.00297	3.1
67.05489	37.3
69.03402	6.8
69.07058	25.1
69.07362	3.1
71.04961	4.4
79.05476	26.5
81.07040	54.0
81.64986	3.8
83.04950	3.6
83.08588	5.3
83.14421	3.2
85.02892	9.0
91.05447	22.6
93.07011	40.2
95.04942	6.8
95.08574	49.5
97.06494	12.7
97.10168	6.1
98.97542	6.9
105.07014	50.4
107.04888	5.4
107.08557	32.7
109.06472	16.2
109.10133	42.2
111.08087	5.5
113.05957	6.6
117.06997	7.7
119.08570	48.3
121.06474	22.6
121.10110	20.9
123.08047	36.4
124.81467	3.9
131.08517	25.7
133.06415	7.2
133.10120	25.2
135.07980	17.0
135.11700	6.6
137.09566	7.0
143.08542	27.5
145.10110	36.5
147.08047	5.1
147.11649	7.5
155.08495	13.5
157.10054	25.3
159.08055	7.3
159.11659	56.4
161.09540	15.6
161.13171	6.5
161.15292	3.8
163.11131	23.6
169.10083	13.4
171.11594	13.9
173.09599	7.6
173.13226	24.3
175.11169	6.3
177.12718	6.9
183.11647	14.9
185.09523	5.2
185.13193	5.5
187.11139	14.9
189.12720	4.0
195.11629	7.2
201.12738	19.4
209.13237	4.3
211.11086	3.9
211.14726	6.4
219.01900	4.4
225.16441	4.2
237.02704	6.9
251.18001	4.3
253.15831	5.1
269.18936	32.1
279.03601	5.7
283.20538	16.5
287.19955	38.3
293.19006	7.2
301.21494	8.6
311.19974	95.5
329.21011	100.0
347.18222	26.1
347.22092	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2212
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
51.22970	3.7
55.05498	3.3
58.92797	3.2
67.05480	19.8
69.07043	5.3
79.05466	7.5
81.07023	26.0
85.06534	4.8
91.05447	31.1
93.07006	28.3
94.54466	3.7
95.04928	5.6
95.08568	29.6
97.06513	21.8
105.07020	51.1
107.08573	29.2
109.06478	19.3
109.10117	7.4
111.08047	3.8
117.06998	9.0
119.08557	22.7
121.06492	16.4
121.10132	6.2
123.08028	19.0
123.26496	4.4
128.06108	4.5
129.06989	15.9
131.08528	29.9
133.10059	30.2
135.08035	17.8
135.11670	5.7
143.08495	35.6
145.06326	4.4
145.10120	40.4
147.08061	5.3
147.11697	7.0
149.09665	6.1
155.08524	7.8
157.10109	24.3
159.07959	6.9
159.11647	28.3
161.09593	26.8
169.10123	35.7
171.11627	17.5
173.09569	9.1
175.11205	7.3
179.13977	3.9
181.10129	5.9
182.10759	4.1
185.13158	5.1
186.61414	5.0
187.11128	24.9
195.11594	5.9
197.13248	6.8
201.12660	4.6
209.13242	7.7
211.11153	4.8
211.14752	5.5
213.12628	5.1
225.16299	5.0
227.14169	6.6
233.13261	4.6
235.14838	5.4
251.17908	15.9
253.15782	28.8
265.19498	4.9
267.17377	19.1
269.18790	15.2
275.18115	4.6
283.20596	6.6
287.13480	5.2
293.18881	26.7
311.20007	85.3
315.21759	4.7
329.21045	100.0
347.22067	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2213
Annotation	Algestone
Peak:m/z	Relative Intensity
50.46767	0.4
50.79239	0.4
54.53671	0.4
55.01863	1.0
55.05498	2.5
57.07069	0.5
59.77586	0.4
61.09974	0.5
67.05190	0.5
67.05489	5.0
69.03421	1.1
69.07054	3.7
79.05473	10.9
81.07040	11.2
83.04967	30.8
87.04437	2.0
91.05466	6.0
92.09337	1.5
93.07023	11.3
95.04975	2.2
95.08589	10.9
97.06510	99.7
101.05979	2.0
105.07024	12.5
107.04933	0.6
107.08569	8.6
109.06500	60.8
109.10149	3.2
111.04420	3.5
111.08081	0.6
117.06999	4.8
119.08563	10.4
121.06507	4.8
121.10133	4.9
123.08045	11.1
129.06990	2.8
131.08545	14.6
133.10104	10.6
133.18240	0.5
135.08026	3.2
135.11632	0.6
137.09589	0.7
137.25862	0.5
141.06941	0.6
142.07774	0.9
143.08549	7.3
145.10110	15.3
147.08058	1.9
147.11688	4.7
149.09607	2.4
149.13240	0.6
151.07445	0.5
153.09091	0.7
155.08513	3.2
156.09367	1.1
157.10075	5.9
159.08078	1.0
159.11681	10.1
161.09607	1.8
161.13266	3.2
163.11122	1.1
167.08569	1.0
168.09300	0.5
169.10056	5.4
171.11655	6.3
173.09657	0.8
173.13210	13.5
175.11192	1.9
175.14798	2.7
177.12740	2.8
181.10132	2.5
182.10875	2.1
183.11647	3.0
185.09604	0.6
185.13184	4.6
187.11118	2.1
187.14786	3.5
189.12717	2.8
191.14265	2.0
195.11638	2.5
197.13222	7.3
199.11121	0.8
199.14885	0.6
201.12750	0.8
201.16434	0.6
203.14240	0.6
205.10194	0.6
207.11725	0.8
209.13251	1.8
211.14807	2.5
215.14282	4.6
221.12952	0.6
223.14749	1.9
225.16521	0.5
229.15839	2.9
233.13216	0.9
233.15329	6.2
235.14784	1.1
241.15755	2.4
247.16899	1.0
251.17928	2.4
253.15854	2.0
255.17372	0.6
265.19299	1.1
269.19003	3.7
271.20551	1.9
275.17972	0.6
283.20447	0.9
293.18954	4.8
311.20016	10.4
329.21063	14.5
347.22107	100.0
348.22617	0.5
351.52863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2213
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
57.03445	3.1
59.04992	4.1
67.05486	20.5
69.07050	4.2
79.05465	25.9
81.07060	26.3
83.04971	6.0
83.08633	4.5
85.06551	5.0
87.76620	3.5
91.05479	33.8
93.07033	37.1
95.04943	6.8
95.08577	33.8
97.06522	17.5
98.97573	8.8
105.07013	49.7
107.04969	3.7
107.08591	32.4
109.06485	31.9
109.10136	6.7
109.70992	3.2
114.09016	3.7
116.98600	3.8
117.07022	16.0
119.08547	38.4
121.06467	15.5
121.10101	8.4
123.08053	18.9
129.06960	17.2
131.08516	39.3
132.82372	3.3
133.10081	30.5
135.08012	25.0
141.06970	8.1
142.07745	3.5
143.08524	45.6
145.10118	38.3
147.08070	8.4
147.11661	7.6
149.09593	6.7
154.07742	4.3
155.08543	20.3
157.10139	25.0
159.08015	14.6
159.11679	31.2
161.09616	26.1
169.10106	38.0
171.11659	20.7
173.09654	7.4
173.13181	5.1
175.11169	8.5
181.10139	8.5
183.11630	17.5
185.13266	13.6
187.11151	27.7
189.12709	5.6
193.10048	5.1
195.11676	15.1
197.13214	8.6
199.11108	4.3
199.14827	5.1
201.12782	5.2
207.11667	5.0
209.13249	15.4
211.14688	5.3
213.12700	6.0
215.14288	8.1
223.14764	3.9
225.16321	8.9
227.14212	15.1
235.14816	15.0
249.16394	15.6
251.17833	8.4
253.15881	31.0
265.19446	5.1
267.17392	31.6
269.18939	15.0
283.16867	8.2
283.20380	8.0
293.18997	37.8
299.20084	6.0
311.19995	100.0
317.35556	3.7
326.90701	3.7
329.21045	91.8
347.22165	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2214
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
55.01863	1.8
55.05500	6.4
61.02910	20.4
67.05488	11.3
69.07045	4.0
72.69726	1.4
79.05471	14.3
80.28777	1.4
80.68793	1.7
81.07043	16.7
83.04964	37.3
91.05468	18.9
92.08659	5.8
93.07029	22.3
95.04942	2.1
95.08586	11.9
97.06509	35.5
105.07005	29.2
107.08556	15.3
109.06496	10.2
109.10146	8.3
113.05942	1.9
117.06989	6.6
119.08555	19.5
121.06477	6.2
121.10096	2.1
122.65138	1.5
123.08019	8.6
128.06169	6.5
129.06970	14.2
131.08540	28.8
133.06497	3.2
133.10092	23.2
135.08028	3.0
135.11670	2.2
137.09648	2.7
141.06953	7.6
142.07751	17.4
143.08548	35.7
145.10101	31.2
147.08006	7.7
147.11661	7.1
149.09575	2.6
155.08527	33.2
156.09291	4.1
157.10103	52.6
159.08041	3.8
159.11632	11.8
161.09599	15.7
163.11153	2.0
165.06999	2.3
167.08556	7.3
168.09335	3.8
169.10092	30.7
171.07999	2.6
171.11630	15.6
173.09598	29.2
173.13210	2.2
175.11107	7.1
177.12749	2.3
177.79887	1.7
178.07840	2.3
179.08556	8.5
179.83769	2.0
180.09302	3.7
181.10083	19.6
182.10905	7.3
183.11644	29.0
185.13226	11.1
186.13673	1.9
187.11139	2.4
187.14822	2.9
192.09355	3.9
193.10126	11.6
194.10873	9.2
195.11627	33.4
196.12422	15.2
197.13271	10.0
199.11189	6.5
199.14780	2.3
205.10089	9.5
206.10803	3.0
207.11687	20.1
208.12411	7.0
209.13196	34.1
210.14066	16.6
211.11334	3.3
211.14772	63.1
213.12720	3.2
219.11656	9.4
220.12471	8.0
221.13222	10.2
222.13943	5.9
223.11209	2.2
223.14807	16.0
225.12767	3.3
225.16377	3.8
227.14140	2.0
233.13153	7.2
235.14760	18.0
237.12633	2.9
239.14275	6.2
241.15556	1.9
245.13063	1.9
249.16414	19.5
251.14305	2.6
251.17842	7.5
253.15800	32.3
254.16603	7.5
265.15771	3.6
267.17407	18.2
268.18027	2.6
269.18918	40.1
271.16885	71.5
275.17987	6.8
293.18991	16.8
311.19971	22.9
329.21033	100.0
347.22110	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.131
Annotation	Nordercitin
Peak:m/z	Relative Intensity
56.39500	0.5
57.03395	0.6
60.04507	1.2
64.33080	0.6
78.00642	0.6
84.04506	0.8
85.02868	0.7
86.09681	3.3
87.12889	0.6
89.00627	0.6
92.09116	1.4
92.51869	0.5
110.06081	0.7
111.04413	0.8
120.70367	0.7
129.65747	0.6
134.06989	0.6
137.06030	1.0
139.66721	0.6
141.73610	0.7
149.06003	0.9
183.03954	0.9
185.07834	2.6
195.74908	0.6
203.05362	1.2
203.07198	0.8
215.82538	0.7
239.53596	0.7
250.21747	0.6
279.07144	0.7
285.12970	7.2
287.10892	3.2
347.13052	100.0
347.63028	0.7
351.46814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2214
Annotation	4-Pregnene-16alpha,21-diol-3,20-dione
Peak:m/z	Relative Intensity
52.63657	1.1
55.05495	8.3
56.96561	1.4
57.03419	1.4
63.52942	1.3
67.05482	8.5
69.03403	5.0
69.07050	6.7
71.04972	1.4
79.05459	14.6
81.03419	1.6
81.07035	29.5
83.04961	3.2
83.08590	2.1
85.06495	1.3
91.00729	1.2
91.05460	14.8
93.07021	24.7
95.04935	2.1
95.08585	23.2
97.02864	1.5
97.06488	7.4
98.97546	2.9
100.36015	1.4
105.07011	30.7
107.04921	8.5
107.08573	26.4
109.06500	6.4
109.10150	9.1
111.08099	1.7
116.98598	2.2
117.07030	9.1
119.08563	20.1
121.06464	11.4
121.10130	8.0
123.08034	9.1
123.11629	1.6
129.06979	7.2
131.08527	28.3
133.06424	2.9
133.10095	20.8
135.07968	1.4
135.11629	2.7
141.06940	2.4
142.07722	1.6
143.08533	19.0
145.06476	1.6
145.10114	25.6
147.07999	5.2
147.11652	11.6
149.09581	2.8
149.13226	6.4
151.07507	6.1
155.08499	10.1
157.10104	29.7
159.07993	3.0
159.11671	46.2
161.09523	4.6
161.13226	10.5
163.07458	2.2
163.11194	1.6
167.08524	2.1
169.10091	13.7
171.11642	12.7
173.09586	5.1
173.13231	22.5
175.11168	7.0
175.14726	1.9
180.09288	2.0
181.10081	8.6
182.11011	1.6
183.11613	20.0
185.09627	2.9
185.13190	7.9
187.11113	1.8
187.14798	2.4
193.10101	2.4
194.10794	2.8
195.11722	10.1
197.13214	7.8
199.11118	2.2
199.14789	5.5
201.12709	1.9
201.16318	12.0
205.10150	1.7
209.13223	14.2
211.14771	7.2
213.12852	2.4
213.16362	24.2
215.14133	1.6
219.11557	1.6
223.14885	10.8
225.16298	24.2
227.14236	3.2
235.14775	2.6
237.02777	1.9
237.12703	1.7
239.17717	1.8
241.15814	7.4
249.16377	1.9
250.17210	1.7
251.17863	6.4
253.15744	3.0
253.19490	13.9
255.21048	21.0
259.16754	2.0
265.19452	19.1
267.17242	2.1
269.18866	5.4
271.17249	1.9
271.20468	22.7
283.02512	1.6
283.20486	100.0
293.18875	10.7
301.21561	55.7
311.19965	33.9
329.20990	31.7
347.17694	4.4
347.22095	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	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.3
57.07064	12.1
58.06581	2.3
67.05490	4.2
68.05022	0.5
69.07060	0.6
70.06577	28.9
71.08611	4.5
72.08124	0.5
74.06046	0.4
79.05474	0.7
80.27338	0.4
81.07023	2.3
83.08604	1.6
84.08101	0.5
85.10157	2.1
86.09683	0.4
87.04444	0.4
88.07610	33.1
92.08798	0.8
92.09299	0.4
93.06979	0.4
95.08547	0.7
97.10136	2.4
101.08179	0.4
102.09159	20.0
109.10141	3.1
119.08505	0.4
121.58938	0.3
125.09615	0.8
126.58404	0.3
132.10202	0.5
146.11705	0.7
149.65871	0.4
150.11246	0.6
164.36803	0.4
164.60480	0.3
166.28964	0.4
173.11723	0.8
240.26729	1.4
265.21490	0.4
284.29413	64.8
285.29712	0.4
293.20901	0.5
311.22256	1.7
328.32031	4.8
343.16245	0.4
346.33084	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.4
55.01865	6.9
55.05506	51.8
56.96561	12.6
57.03423	3.8
57.07065	2.8
59.04987	16.4
67.05492	60.2
69.03410	10.1
69.07056	26.5
71.04978	15.0
79.05468	23.9
81.07039	100.0
83.04961	7.2
83.08605	71.8
85.06539	2.4
91.05457	8.0
93.07017	28.2
95.08598	17.8
97.06544	2.2
97.10143	66.6
104.99254	2.7
105.03731	10.6
105.07027	7.5
107.08583	22.6
109.10140	78.0
111.08069	2.8
113.05988	31.5
113.09695	1.9
119.08575	2.6
121.10112	11.9
123.11681	76.8
123.12540	3.6
125.09602	44.9
127.11184	9.0
133.10123	11.4
135.08058	3.8
137.09572	2.4
139.11182	9.1
141.12718	17.4
143.10741	1.7
151.11208	3.2
153.09076	7.1
167.10605	4.1
169.12173	2.1
173.11655	13.1
187.13277	35.8
187.18903	1.6
189.11218	28.9
200.15736	1.7
203.12781	3.9
236.45874	1.8
239.33812	1.9
239.73033	1.9
264.15573	2.8
265.21588	17.0
275.20096	6.7
293.21136	18.4
311.22113	88.4
318.24005	2.2
329.23370	3.0
329.31778	2.3
346.23477	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38060	2.7
50.80046	2.0
54.81359	2.8
55.01860	11.4
55.05501	49.1
56.96548	11.0
57.03431	3.5
57.07055	6.6
57.34539	2.3
58.00931	2.3
58.22354	2.2
59.46676	2.4
67.05495	100.0
69.03392	2.9
69.07053	40.1
71.04986	6.1
75.59966	3.0
79.05472	53.9
81.03409	4.0
81.07034	70.8
81.30480	3.2
83.04964	13.8
83.08614	25.7
85.02901	3.4
85.06515	7.0
88.07581	5.0
91.05460	38.5
92.08792	3.2
93.07027	48.8
95.04942	15.1
95.08577	66.0
97.06513	11.4
97.10163	19.7
105.07021	26.0
107.08567	33.8
109.06508	4.7
109.10142	67.6
111.71857	2.6
113.09583	3.8
117.05510	3.8
117.06978	6.9
119.08566	23.3
121.06482	3.4
121.10099	34.8
123.08032	4.3
123.11699	4.1
125.09633	18.7
130.38124	2.7
131.08498	20.8
133.10112	27.5
135.07979	2.7
135.10701	3.3
135.11688	12.9
137.09625	10.6
139.11194	6.1
145.10109	14.4
147.11688	13.6
149.09575	19.5
151.11183	5.2
155.10690	5.3
157.10143	4.0
159.11714	4.5
161.34998	2.7
163.11111	5.3
167.10774	4.4
173.11714	27.5
173.13120	7.5
177.12738	4.0
181.12177	3.2
209.11778	3.3
211.13353	2.8
235.38879	3.3
256.26215	10.8
257.19031	4.2
275.19980	36.0
290.61856	2.8
293.21048	41.9
311.22144	10.9
346.29437	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96386	2.0
53.03942	1.7
55.01851	10.0
55.05503	35.1
55.95050	1.7
57.03421	3.0
57.07058	3.4
64.49416	1.7
67.05139	3.2
67.05490	80.5
69.07058	37.3
71.04972	3.8
71.56447	1.8
79.05474	44.5
81.03363	2.8
81.07034	100.0
83.04964	3.4
83.08604	22.4
85.06523	3.2
87.80602	2.0
91.05457	40.8
93.07026	55.3
95.04926	7.0
95.08584	33.4
97.06515	15.1
97.10126	19.7
105.07006	29.2
107.04965	2.8
107.08581	49.9
109.06493	9.5
109.10141	22.3
110.06812	2.0
111.08051	4.1
117.06979	8.8
119.07844	2.3
119.08551	21.0
121.06487	4.6
121.10104	16.3
123.11635	2.1
125.09615	15.8
127.02941	2.1
127.65912	2.1
131.08548	14.5
133.10109	28.5
135.07977	4.0
135.11682	12.8
143.08598	2.4
145.10120	4.4
147.11697	14.4
149.09578	14.6
149.13191	20.7
155.10667	2.8
159.11679	14.2
163.11087	4.5
169.40886	2.1
173.11717	14.6
177.12692	9.2
189.11205	9.4
193.95461	2.4
195.13727	33.1
200.52165	2.2
213.14854	23.6
239.18065	3.6
247.20622	3.0
257.18948	8.9
273.91718	2.2
275.19998	53.6
293.20978	10.7
315.20709	2.5
326.82114	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01853	2.6
55.05487	6.0
57.03425	32.0
57.07057	4.3
59.04713	1.2
59.04988	20.4
60.81293	1.0
61.02912	25.1
67.05489	25.7
69.03067	1.9
69.03414	43.6
69.51502	1.0
70.06584	2.2
71.04973	23.4
72.71301	1.0
73.02893	19.9
73.06551	1.4
75.04457	23.1
81.03407	1.9
83.04964	51.9
84.08102	1.3
85.02885	20.0
85.06529	13.8
87.04447	10.2
87.46179	1.1
89.06028	12.5
91.03934	9.6
92.94460	1.2
95.04944	23.8
97.02825	2.3
101.05984	4.5
103.02097	2.5
109.02874	1.7
113.05196	2.0
113.05987	62.9
115.83208	1.1
117.70897	1.4
131.07013	100.0
138.09128	1.3
148.03906	1.1
149.02654	2.3
149.08069	45.9
151.38100	1.0
166.04964	2.5
167.09120	54.5
192.95122	1.4
346.08148	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01866	2.4
57.03422	6.7
61.02907	11.9
61.47545	0.8
69.03410	24.1
70.06566	4.1
71.04971	2.1
73.02898	4.1
81.03396	14.0
83.01289	1.3
85.02891	100.0
86.09689	1.9
87.04438	4.2
91.03923	4.6
93.06979	1.2
97.02868	28.7
99.04433	6.2
101.02304	1.1
103.03931	1.1
103.05383	1.1
104.05289	1.2
105.03363	1.7
107.04939	63.8
108.04436	1.2
109.02856	7.6
110.06070	1.1
115.03901	1.4
116.07070	2.3
121.02824	4.2
121.06454	3.9
124.07553	2.2
127.03899	20.5
138.09126	14.1
145.04942	18.3
149.05954	17.1
163.03979	1.3
163.05951	1.6
166.08597	21.9
167.07014	10.9
173.05942	3.6
180.08609	8.6
184.09644	4.0
195.08022	4.1
215.06950	1.7
225.21674	1.1
233.08044	4.3
234.60730	1.0
237.08916	1.3
241.08511	1.4
275.09235	1.3
346.14951	4.2
352.91602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41599	0.3
53.03937	2.9
55.01864	2.6
57.03430	6.2
61.02912	13.1
69.03418	23.7
71.04980	3.4
73.02898	5.4
79.05479	4.3
81.03406	9.4
85.02892	100.0
86.09701	2.7
87.04447	3.1
91.03932	4.2
91.05493	0.6
93.07012	1.8
95.04969	0.4
97.02876	29.7
99.04445	5.2
101.02363	0.6
103.03916	0.5
103.05453	16.2
103.66083	0.4
107.04894	3.3
109.02869	9.5
115.03916	0.6
121.06487	66.5
127.03897	19.2
131.04906	3.7
136.35695	0.4
139.07576	1.0
139.19884	0.4
141.17879	0.4
145.04942	22.0
149.05959	5.1
149.21130	0.4
154.11449	0.4
163.05975	6.5
163.41220	0.4
167.07004	7.3
180.08702	0.9
272.62378	0.5
305.70755	0.4
329.12231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98409	0.5
53.03934	2.6
55.01857	2.9
57.03437	5.7
61.02912	13.0
61.81883	0.5
69.03064	1.0
69.03416	20.0
70.11246	0.5
71.04967	2.6
73.02893	3.7
79.05464	3.5
81.03398	8.4
83.01297	0.6
85.02890	100.0
86.09704	2.5
86.10217	0.6
87.04436	2.8
91.03922	5.4
91.05488	0.9
93.07016	1.1
97.02871	24.8
99.04431	4.4
103.05453	14.0
107.04917	3.4
109.02863	9.1
121.06481	65.4
122.16930	0.6
127.03893	15.6
131.04886	3.0
139.07507	2.4
145.04939	19.9
149.06003	4.8
156.80418	0.5
163.06003	5.7
165.99069	0.6
167.07002	6.7
213.39471	0.6
279.49744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01853	2.5
57.03419	7.1
60.42804	1.1
61.02915	14.0
69.03418	23.6
70.06554	1.3
71.04985	2.4
72.08140	2.4
73.02895	5.5
77.76974	1.1
81.03413	9.2
85.02893	100.0
86.09673	2.0
87.04440	4.7
91.03928	2.7
95.04887	1.2
97.02870	26.8
99.04410	5.2
106.52889	1.1
107.04940	69.0
109.02840	9.3
120.48576	1.3
121.02848	2.9
121.06490	2.2
124.07501	1.5
127.03912	15.2
130.96370	1.3
138.09126	9.4
145.04955	14.9
149.05940	12.9
150.36917	1.2
163.05960	2.2
166.08604	15.4
167.06996	14.8
167.08441	3.8
173.05913	1.8
177.06903	2.3
180.08620	10.2
184.09769	4.4
191.08575	1.6
195.08163	2.4
215.06949	1.8
219.07941	1.6
227.07126	1.4
233.08052	6.4
237.08971	2.4
241.08661	2.7
275.09222	1.6
283.09558	5.2
346.14908	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.9
56.96549	0.8
57.03420	1.3
61.02910	1.7
65.03922	1.0
67.05489	4.9
69.03419	7.4
70.06580	1.6
72.08136	9.1
73.02894	1.7
75.04446	1.5
79.05451	0.7
81.03393	3.1
84.08134	1.2
85.02890	9.5
86.09691	1.0
87.04456	2.4
90.94852	1.0
91.05462	0.8
93.05739	1.0
94.06562	1.2
97.02869	4.4
98.67435	0.7
101.02363	1.0
106.06564	2.8
108.08105	100.0
109.02908	1.3
113.03473	1.6
123.06781	4.7
124.07556	15.4
127.03896	1.0
134.05994	9.8
136.07552	21.4
137.05965	0.6
137.08267	0.9
138.05513	1.1
138.09122	5.8
140.53862	0.6
142.90175	0.6
147.04359	0.8
148.03914	4.3
152.07045	56.5
154.08601	3.1
156.06525	0.8
161.02849	0.9
166.05006	8.9
166.08638	2.7
167.82635	0.9
184.06020	4.2
184.09695	6.8
187.52065	0.6
191.10881	0.6
207.87715	0.6
217.15530	0.9
314.12292	17.4
346.14938	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
54.81599	0.2
55.01877	0.2
55.05497	0.2
56.40383	0.2
57.03421	0.5
61.02911	0.9
62.87780	0.2
67.67798	0.2
69.03410	2.5
69.07045	0.3
70.06554	0.2
71.04977	0.3
72.08133	2.4
73.52563	0.2
73.64764	0.2
74.06089	0.2
74.06487	0.2
79.05473	16.4
79.81698	0.2
81.03404	0.5
84.04498	0.2
85.02892	10.4
86.09691	1.4
91.03966	0.2
91.05470	0.5
94.34117	0.2
97.02877	2.4
97.06514	0.3
99.04437	0.3
103.05446	4.0
105.03393	1.1
105.07012	2.0
107.04939	100.0
108.05248	0.2
109.02868	1.2
124.07542	0.2
127.03939	1.6
131.04906	26.6
131.08493	0.4
137.06038	0.2
145.04980	0.9
149.05962	32.8
163.05959	0.3
213.08511	0.2
214.18044	0.2
293.10272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2268
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01875	7.8
55.05503	71.3
56.96542	1.7
57.03423	1.7
57.07057	0.9
57.80904	0.8
58.97174	0.9
59.04987	1.2
67.05495	24.2
68.18146	0.8
68.60026	0.8
69.03419	7.9
69.06712	1.6
69.07054	30.9
75.48330	0.9
79.05475	25.7
81.07036	30.4
83.04952	6.4
83.08605	44.4
85.06526	1.6
91.05469	4.3
93.07027	19.7
95.04922	2.2
95.08583	13.4
96.31282	0.9
97.06503	7.6
97.10148	100.0
101.06062	1.6
101.09613	1.4
104.51619	0.9
104.99258	5.7
105.07022	1.8
107.08576	27.8
109.06471	1.0
109.10107	4.9
111.08077	1.9
111.11703	0.9
117.06989	3.9
119.08564	1.8
121.10117	14.6
125.09607	78.6
135.07997	7.5
135.11708	1.1
137.09547	4.0
139.11174	17.3
143.10684	1.7
153.09103	27.3
157.12222	8.0
165.09132	2.1
171.10144	5.7
189.11183	97.9
203.12819	4.1
262.98105	2.3
273.18552	1.3
291.19525	1.0
309.20502	4.3
327.21606	12.3
337.09610	1.1
345.09723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41558	0.2
53.03930	0.3
56.96551	0.2
57.03417	0.5
61.02907	0.4
69.03411	2.2
70.03780	0.2
70.06558	0.3
73.02914	0.3
75.05994	0.2
81.03382	0.5
84.08112	0.3
85.02887	3.4
86.09705	0.3
87.04430	0.4
91.03953	0.2
92.04979	0.4
92.08834	0.4
96.04410	0.3
96.89539	0.2
97.02876	1.1
98.97581	0.3
99.04478	0.4
109.02859	0.4
113.03468	0.3
120.04417	1.7
129.60963	0.2
138.05441	3.4
148.03915	49.6
152.05641	0.5
166.04965	100.0
171.28851	0.3
184.06021	60.8
204.94882	0.3
205.05438	0.3
281.29193	0.2
301.03989	0.3
346.11359	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	345.2058
Annotation	Atratogenin A
Peak:m/z	Relative Intensity
53.03938	0.5
55.01853	1.7
55.05500	2.3
67.05489	4.8
67.35644	0.4
67.37811	0.4
69.03395	0.6
69.07041	2.3
71.04971	0.5
72.36752	0.3
76.55910	0.4
79.05475	8.1
79.91523	0.3
81.03400	0.5
81.07041	12.8
83.04969	9.3
83.08592	0.7
85.06536	0.6
90.44198	0.4
91.05457	7.5
92.08646	0.9
93.07028	10.3
95.04954	2.0
95.08585	9.2
97.06510	40.5
103.05435	0.5
105.06359	0.7
105.07019	14.8
105.49789	0.4
107.04951	2.1
107.08568	9.2
109.06504	43.9
109.10159	2.0
110.23508	0.4
111.04468	0.4
111.08067	0.8
115.05427	0.6
116.98595	0.6
117.06992	5.4
119.08565	11.7
121.06480	9.2
121.10117	2.6
123.08047	23.6
124.13473	0.4
127.85089	0.4
128.06169	0.7
129.06973	6.1
130.07877	0.4
131.08548	11.8
133.06474	5.1
133.10117	8.7
135.08012	2.5
135.11684	1.0
137.05951	0.7
137.09616	2.1
139.07547	0.4
141.06981	0.7
142.07767	3.4
143.08549	11.9
144.09335	0.5
145.06494	1.5
145.10100	11.9
146.10872	0.6
147.08041	4.5
147.11679	5.6
149.05870	0.5
149.09593	4.0
149.13260	0.7
151.07524	4.5
155.08537	4.4
156.09305	1.6
157.06471	0.6
157.10098	16.9
158.10851	0.5
159.08002	2.1
159.11667	10.8
161.09590	3.7
161.13213	2.0
163.07564	1.6
163.11148	1.9
165.06998	0.7
165.12747	0.4
166.07762	0.5
167.06992	0.5
169.10072	5.0
170.10881	0.6
171.08084	0.9
171.11671	8.6
173.09581	3.9
173.13237	5.1
174.78444	0.4
175.11171	5.5
175.14828	0.9
177.09047	0.6
177.12711	3.8
179.08539	0.7
181.10054	3.9
183.11618	5.5
185.09619	2.3
185.13210	9.9
187.11166	2.6
187.14803	3.2
189.09061	0.7
189.12750	3.2
191.10623	0.7
193.10065	1.0
194.10855	0.6
195.10062	0.8
195.11679	3.8
197.09601	0.7
197.13216	3.8
199.11200	3.5
199.14835	0.9
201.12790	2.1
203.10684	2.8
203.14256	1.9
205.12299	0.6
207.11659	2.7
209.13254	2.4
211.14783	3.8
212.15469	0.5
213.12761	4.7
213.16336	0.6
214.13490	0.5
215.14325	0.6
217.12262	0.7
219.13823	0.9
221.13272	1.9
223.14778	5.0
225.12654	2.4
225.16312	1.8
227.14310	1.8
229.15750	0.8
231.13779	8.3
235.14964	0.7
237.16245	2.0
239.14243	1.6
239.17986	1.8
241.15877	2.3
243.13789	0.5
249.14409	3.1
249.16940	0.5
251.14185	1.8
251.17998	0.8
252.18710	1.7
253.15761	1.6
253.19504	2.8
257.15289	0.5
263.18011	3.5
266.16501	0.7
267.01346	0.4
267.17361	3.4
269.18970	2.6
271.20529	2.0
281.15820	0.8
281.18930	15.7
283.20572	0.6
285.18481	0.6
287.16336	0.8
291.17419	2.3
299.20020	17.0
309.18451	12.1
327.19501	7.6
345.20544	100.0
346.21066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2056
Annotation	Bisphenol A bis(2-hydroxypropyl) ether
Peak:m/z	Relative Intensity
50.17079	0.4
50.52643	0.5
53.03941	0.6
53.97041	0.4
55.01854	2.0
55.05486	2.4
56.31729	0.5
57.03407	0.7
67.05493	5.1
67.61102	0.5
69.03386	0.6
69.07037	2.8
69.40800	0.5
69.92405	0.4
71.04987	0.5
79.05470	6.9
81.03376	0.8
81.07032	11.1
83.04964	8.0
85.06522	0.6
91.05458	7.5
92.64130	0.6
93.07009	9.8
95.04923	2.0
95.08585	9.7
97.06506	42.0
105.06358	0.8
105.07013	14.1
107.04916	2.8
107.08582	6.1
109.06502	37.2
109.10119	2.5
115.93737	0.5
117.06999	3.8
119.08535	9.4
121.06476	8.8
121.10094	3.0
123.08041	22.3
128.98347	0.6
129.06987	5.5
130.07762	0.6
131.04860	0.8
131.08527	10.4
133.06468	4.5
133.10101	9.6
135.08017	2.5
135.11658	2.3
137.05922	1.3
137.09567	2.1
139.03792	0.6
141.06963	2.2
142.07788	2.4
143.08539	12.8
144.09360	0.6
145.06487	0.9
145.10086	12.8
147.08011	2.9
147.11659	5.1
149.09586	4.7
151.07512	4.0
155.08507	3.1
156.09277	1.0
157.10103	13.8
159.07962	1.1
159.11659	9.5
161.09602	3.1
161.13159	0.7
163.07462	0.9
163.11171	3.1
165.06955	0.9
165.09056	0.7
167.08553	1.1
169.10097	3.5
171.07985	1.2
171.11641	8.9
173.09593	3.2
173.13213	4.5
175.11151	5.2
175.14807	0.6
177.09140	1.2
177.12680	4.0
179.08421	0.6
180.09361	0.7
181.10120	3.9
183.11641	4.4
185.09593	1.3
185.13243	9.5
187.11169	2.6
187.14764	3.2
189.09105	0.7
189.12672	2.2
191.10716	0.6
193.10107	0.6
195.10191	0.6
195.11583	4.1
197.13249	3.6
199.11113	3.0
199.14767	2.3
201.12729	2.7
203.10605	1.3
203.14276	2.7
207.11710	3.0
209.13231	3.6
211.14816	4.0
213.09238	0.7
213.12714	3.9
217.12157	0.8
219.13777	0.9
221.13258	2.1
223.14810	5.6
225.12708	2.7
225.16397	0.8
229.15776	0.9
231.13757	6.8
235.14853	0.8
237.16428	1.1
239.14117	0.8
241.15866	2.6
249.14851	2.9
251.14316	2.2
251.17924	2.1
252.18703	1.1
253.19417	2.6
263.17920	4.2
267.17328	2.4
269.18939	2.2
271.20453	1.1
281.18930	15.8
287.16382	1.1
291.17392	1.3
298.02005	0.6
299.20001	15.3
309.18445	12.3
327.19556	9.4
345.20547	100.0
346.20798	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
54.81931	1.6
55.01854	2.3
55.05492	7.7
59.04987	1.9
60.84127	1.5
67.05489	17.1
69.03399	2.3
69.07043	4.1
71.04958	2.7
76.17201	1.5
78.12810	1.8
79.05473	29.0
81.07028	26.5
83.04966	7.5
85.06525	2.6
91.05451	28.8
92.08979	12.6
93.07026	30.8
95.04950	3.6
95.08579	24.1
97.06507	14.3
105.06355	3.1
105.07021	55.8
107.04935	8.4
107.08578	37.9
109.06523	14.8
109.10126	4.0
111.08080	3.2
115.05337	3.0
117.06997	12.8
119.08550	25.9
121.06493	4.3
121.10124	4.3
123.08054	7.8
128.06201	9.9
129.06960	14.9
130.07823	2.7
131.08548	74.6
133.06441	3.9
133.10112	8.0
135.08023	30.9
135.11630	2.2
137.09525	1.9
141.06963	10.1
142.07713	3.4
143.08551	31.1
144.05669	2.3
145.06479	4.0
145.10109	34.8
147.08002	15.2
149.09602	8.4
153.06963	2.2
155.08519	36.7
157.10072	17.9
158.07253	3.5
159.08029	33.8
159.11647	2.8
161.09569	18.6
165.06938	3.5
166.07762	7.4
167.08490	13.6
168.09334	4.0
169.10039	20.9
171.08020	18.8
171.11641	4.3
173.09590	62.8
175.11194	7.0
178.07762	3.8
179.08525	13.2
180.09309	7.2
181.10097	29.2
182.10814	2.2
183.08041	3.0
183.11632	15.3
185.09612	10.5
187.11168	3.7
191.08588	3.1
192.09253	13.4
193.10115	25.6
194.10916	6.9
195.11719	14.9
197.09616	10.8
197.13217	7.6
198.10388	1.9
199.11191	10.7
202.07794	2.1
203.08501	7.3
204.09317	3.2
205.10153	20.8
206.10898	6.7
207.11676	21.7
208.08786	2.5
208.12337	3.7
209.09526	8.1
209.13199	15.7
210.10432	2.9
211.11121	16.6
211.14595	2.2
213.12724	7.9
215.08609	2.6
215.10509	5.7
216.09312	6.9
217.10136	9.6
218.10945	8.0
219.11719	15.5
220.12437	3.2
221.09636	3.7
221.13213	15.2
222.10333	2.4
222.13988	2.9
223.11162	11.4
223.14787	11.5
224.11987	2.4
225.12674	22.2
225.16296	2.3
227.14240	1.9
229.10063	7.7
230.10927	7.0
231.11580	7.7
232.12335	8.3
233.13164	14.5
234.10468	2.5
234.13910	3.0
235.11118	9.3
235.14774	6.9
236.12047	13.2
237.12671	4.3
237.16260	4.1
239.14259	8.6
239.17914	2.4
243.11716	8.7
244.12398	8.3
245.13223	8.3
247.11084	3.3
247.14772	11.9
248.12007	2.0
248.15646	2.3
249.12607	7.3
249.16234	8.3
250.13443	38.4
251.14268	47.5
252.14929	2.4
258.13898	2.9
261.12643	3.8
263.14297	3.2
263.17862	2.8
265.15817	66.1
266.16461	3.4
267.13803	2.6
267.17380	15.6
273.16422	9.1
276.14993	18.6
279.17361	9.4
281.15421	7.4
281.18930	17.1
283.16855	2.6
291.17358	34.3
294.16068	3.6
297.18375	3.6
309.18381	100.0
315.18127	1.7
325.58344	2.0
327.19485	92.1
345.20587	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	345.2056
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
52.63656	1.2
55.01868	1.7
55.05496	6.7
57.03409	1.4
61.90227	1.2
67.05482	12.3
69.07049	6.0
71.04967	2.2
71.29592	1.3
79.05479	9.6
81.07037	13.4
83.04956	13.3
83.08590	2.2
85.02859	2.0
85.06508	2.9
87.04447	3.2
91.05452	11.6
93.07014	15.9
95.04948	2.8
95.08577	14.2
97.06498	50.7
99.04430	6.8
105.06989	18.4
107.04931	3.1
107.08598	7.3
109.06504	14.1
109.10146	3.3
111.08079	5.6
117.06961	2.8
119.08551	10.0
121.06480	6.2
121.10118	6.2
123.08036	7.1
128.06209	1.9
129.06967	6.7
131.08568	12.0
133.06439	2.6
133.10085	3.5
135.08012	8.0
137.05908	1.8
137.09613	2.0
141.06969	3.1
142.07779	2.9
143.08539	16.6
145.10068	20.2
147.08034	6.6
147.11646	3.2
149.09589	3.2
153.06950	2.1
154.07759	2.5
155.08513	21.7
157.10100	15.4
159.07980	6.6
159.11659	3.4
161.09637	6.5
163.11153	2.5
165.07002	6.1
166.07715	2.5
167.08556	8.0
168.09329	2.5
169.10048	11.9
171.07990	2.6
171.11702	10.4
173.09566	28.8
175.11165	2.3
175.14705	1.6
175.47237	1.3
178.07724	6.2
179.08519	11.1
180.09229	10.0
181.10063	18.3
183.11639	24.8
185.09605	3.2
185.13214	7.3
187.11159	6.2
192.09317	5.5
193.10086	38.0
194.10852	9.6
195.11649	28.4
197.09715	5.3
197.13246	6.5
199.11183	13.6
204.09296	3.0
205.10123	2.4
206.11000	1.5
207.11641	19.0
208.12373	13.1
209.09639	2.3
209.13237	20.7
211.11121	16.6
213.12738	10.0
214.13521	2.0
217.12215	1.8
218.10901	2.8
219.11647	12.0
221.13269	8.0
223.11110	2.7
223.14789	16.5
225.12692	5.2
227.14375	3.4
231.13831	1.7
233.13255	5.8
236.11903	12.9
237.12704	14.4
239.14236	7.6
241.15717	2.0
247.14775	2.5
249.16357	6.7
251.14244	100.0
255.13705	20.5
265.15833	3.3
266.16675	5.7
267.17374	9.7
269.15347	7.4
279.14166	1.5
281.18924	8.4
285.18396	1.9
291.17398	5.4
309.18396	78.8
327.19461	46.0
345.20511	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Bisphenol A bis(2-hydroxypropyl) ether
Peak:m/z	Relative Intensity
51.52928	1.2
53.93450	1.1
54.81845	1.3
55.01861	1.9
55.05495	2.9
61.28255	1.2
67.05466	7.9
69.07048	3.5
74.43380	1.6
76.56498	1.3
79.05466	12.5
81.07030	15.5
81.34814	1.5
83.04953	5.7
90.49593	1.9
91.05443	7.1
93.07003	8.9
95.04935	2.7
95.08566	3.2
97.06506	100.0
105.07005	14.8
107.08561	3.1
109.06498	93.6
110.49636	1.6
113.05967	1.8
117.06995	2.6
119.08534	8.5
121.06464	9.1
123.08016	15.5
128.06125	2.3
129.06923	2.2
131.08528	5.8
133.10074	2.8
135.07996	2.1
141.06984	2.5
142.07698	3.0
143.08539	13.3
145.10110	9.2
147.08031	2.1
147.11632	2.2
155.08481	5.8
156.09299	1.5
157.10092	7.1
159.11682	6.1
161.09584	2.7
163.11089	1.6
169.10132	2.9
171.11644	14.9
175.11163	2.5
181.10066	2.4
183.11569	1.5
185.09645	6.6
185.13345	2.4
185.81554	1.8
187.11102	1.7
189.12611	2.1
193.10051	2.3
195.11656	2.4
197.13158	2.1
199.11140	3.2
207.11734	3.3
209.13158	7.3
213.12654	9.5
220.12480	1.5
227.14529	1.7
251.14189	2.0
267.17368	7.8
277.95786	1.7
284.17661	1.7
285.18390	2.8
291.17374	1.8
309.18463	6.5
327.19534	6.3
345.20523	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2058
Annotation	Bisphenol A bis(2-hydroxypropyl) ether
Peak:m/z	Relative Intensity
51.45962	0.5
53.03925	0.7
55.01857	2.8
55.05507	6.1
56.96557	0.6
57.03421	2.5
57.07062	1.4
66.03316	0.5
67.05493	8.9
68.75119	0.5
69.03419	1.3
69.07054	6.4
71.04965	2.5
71.94025	0.5
79.05468	10.0
81.03394	1.2
81.07032	17.4
83.04960	8.8
83.08598	3.6
85.02850	1.0
85.06522	2.6
90.41843	0.6
91.05461	16.5
92.08781	3.6
93.07024	15.5
95.04974	4.5
95.08588	13.2
97.06509	17.8
97.10149	1.0
99.08077	1.3
103.05412	1.0
105.07010	23.1
107.04926	3.7
107.08569	17.6
109.06506	10.6
109.10152	7.5
113.05972	0.8
115.05453	2.2
117.06976	7.8
119.08556	16.5
121.06480	5.3
121.10140	5.8
123.08049	5.9
123.11699	3.8
125.05972	0.7
125.09563	0.7
128.06201	3.5
129.06982	4.9
130.07755	2.4
131.08542	18.5
133.06485	4.6
133.10091	8.8
135.08044	7.9
135.11662	2.5
137.05943	0.7
137.09575	1.2
141.06967	3.1
142.07759	4.2
143.00238	0.6
143.08537	12.0
143.43028	0.6
144.43704	0.6
144.68800	0.6
145.06471	1.4
145.10101	17.4
146.10402	0.6
147.08034	14.7
147.11659	3.3
149.09601	5.0
149.13194	1.2
153.12755	0.6
154.07768	1.0
155.08533	6.0
156.09312	0.7
157.10098	5.9
158.07254	1.0
159.08018	8.8
159.11632	2.8
161.09566	9.6
161.13245	0.7
162.52818	0.8
163.11122	6.8
165.06982	0.8
165.09090	2.9
167.08386	0.9
168.09352	0.6
168.79356	0.6
169.10081	5.0
171.08009	2.8
171.11664	2.4
173.09587	14.5
175.11174	3.3
178.07663	0.8
179.08534	3.1
180.09299	1.1
181.10081	5.2
182.10938	0.6
183.08078	0.7
183.11652	3.2
185.09587	1.4
185.13344	0.9
187.11179	3.5
189.09097	0.6
191.10616	12.8
191.17926	0.7
192.09358	2.3
193.10135	4.7
194.10864	0.7
195.11649	3.3
197.09511	0.8
197.13208	2.6
199.11165	2.4
205.10100	1.4
206.10909	2.7
207.11667	5.3
208.12431	1.2
209.09518	1.2
209.13200	3.3
210.10474	0.8
211.11188	0.9
219.11641	0.8
221.13235	2.5
223.11227	0.9
223.14795	3.2
225.12727	4.0
227.14162	0.7
229.12238	3.0
233.13300	1.0
239.14313	1.3
247.14871	0.8
249.16246	0.8
250.13562	1.2
251.14265	2.9
265.15839	2.9
267.17398	3.2
269.15463	0.8
273.16199	1.0
281.18915	1.1
283.16931	3.3
291.17245	2.9
309.18396	10.0
327.19510	4.0
345.20529	100.0
346.20749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2057
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
50.70724	3.7
53.03943	4.1
55.01843	5.4
55.05498	28.1
57.07065	7.5
60.58970	3.6
67.05484	48.3
67.29555	4.1
69.03393	6.3
69.07046	40.4
71.04974	6.6
73.60454	4.1
77.16187	3.7
79.05469	36.6
81.03394	5.3
81.07035	96.6
83.04967	17.1
83.08599	19.4
85.06540	6.6
91.05454	29.1
93.07028	56.3
95.04959	20.2
95.08582	100.0
97.06506	43.1
98.90002	4.0
105.06996	72.2
107.08563	43.7
109.06506	8.8
109.10139	37.2
117.06998	20.3
119.08570	49.5
121.06503	9.2
121.10119	28.9
123.08051	25.3
123.11702	6.1
125.09602	7.9
129.06929	9.2
131.08522	61.8
133.06474	16.2
133.10115	26.2
135.08035	8.4
135.11658	18.0
137.09596	5.9
142.07758	5.0
143.08559	36.1
145.06551	6.8
145.10130	34.3
147.08018	20.5
147.11687	22.3
149.09610	8.0
151.11156	4.3
154.07678	5.9
155.08549	18.7
157.10117	26.3
159.08025	9.7
159.11682	10.1
161.09547	26.6
161.13269	5.5
163.11159	9.5
169.10129	17.4
171.08006	7.6
171.11723	15.1
173.09579	62.1
175.11140	23.2
179.08537	4.9
187.11118	25.4
189.12749	4.7
197.13301	6.5
207.49780	4.8
209.13226	5.5
215.14308	16.9
219.01778	4.6
223.70486	4.3
227.14204	4.9
249.16406	4.7
249.22252	4.5
273.25848	6.1
285.18466	31.3
303.19571	33.2
309.18253	9.8
327.19501	50.0
345.20480	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	[4S-[4alpha(E),4aalpha,5alpha,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
Peak:m/z	Relative Intensity
55.01865	1.1
55.05497	1.5
56.19553	0.6
67.05476	5.0
69.03393	2.5
69.07037	3.3
78.45723	0.8
79.05461	7.0
80.06343	0.7
81.07029	7.5
83.04967	10.9
91.05449	5.0
93.07017	6.1
95.04929	1.5
95.08550	7.3
97.06506	100.0
105.00046	0.8
105.07032	5.7
107.08561	4.5
109.06496	17.3
109.10119	2.8
111.04423	1.3
111.08012	1.2
117.06972	1.4
119.07831	0.7
119.08533	5.7
121.06486	4.1
121.10098	3.4
121.50665	0.6
123.08045	10.9
125.05954	1.0
129.06995	1.7
131.08557	7.1
133.10092	4.2
135.08043	1.2
137.09567	0.9
142.07716	1.4
143.08540	6.6
145.10091	10.2
147.08014	1.0
147.11652	3.0
149.13208	0.9
155.08577	1.0
157.10132	5.5
159.08063	1.0
159.11636	3.9
161.13170	1.0
169.10071	4.4
171.11597	3.2
171.28218	0.9
173.13231	1.3
175.11171	1.6
175.14748	1.8
181.10103	0.9
183.11688	1.6
185.09535	1.5
185.13167	7.1
187.11111	1.2
195.11491	1.0
197.13231	1.2
200.81720	0.8
201.12572	0.9
203.10614	0.8
203.14294	3.9
213.12732	3.5
223.14754	1.1
225.16315	0.8
231.13765	10.0
253.19351	1.2
267.17487	1.0
281.19003	3.3
301.50977	0.8
309.18445	5.1
327.19412	10.0
345.20523	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
55.05498	18.1
67.05486	29.8
69.03406	18.1
69.07043	8.7
71.04970	5.4
72.08135	37.5
73.02874	3.0
73.08456	4.7
79.05475	24.7
81.03426	5.3
81.07047	41.6
83.04960	20.2
84.08137	4.7
85.02888	7.2
85.06526	13.3
86.09692	78.4
87.09988	4.4
90.45504	3.1
91.05456	36.7
92.08801	6.0
92.09291	4.6
93.07016	47.9
95.04954	8.0
95.08576	28.8
97.02924	4.0
97.06513	48.5
98.97584	4.0
101.05986	4.4
105.07019	49.6
107.04955	7.4
107.08586	23.3
109.06514	36.7
109.10113	34.0
111.04419	7.8
117.07003	23.0
119.08540	32.0
121.06503	24.9
121.10136	6.8
123.08018	30.8
128.06169	8.1
129.07013	19.1
129.10226	3.7
131.04874	4.0
131.08511	45.8
133.06444	6.1
133.10088	19.1
135.08034	14.3
137.05978	8.0
137.09613	41.7
141.06987	7.6
142.07751	22.9
143.08528	68.7
145.10109	69.0
147.08008	7.2
147.11668	5.9
149.09641	5.5
153.06987	13.2
154.07788	4.7
155.08548	23.8
157.10106	39.8
159.08038	19.0
159.11664	28.5
161.09589	7.0
165.06892	7.5
165.09071	7.9
167.08528	8.7
169.10049	37.2
171.07953	4.6
171.11658	15.7
173.09558	23.2
179.08545	6.8
181.10139	16.3
182.11061	4.2
183.11650	26.7
183.13760	3.9
185.09567	13.6
185.13258	4.6
185.16365	4.2
186.16806	5.9
187.11180	17.4
193.10115	13.7
195.11705	19.8
197.09642	5.7
197.13310	5.7
199.11229	3.8
203.10643	5.7
205.10022	4.8
206.88358	3.7
207.11725	16.2
209.13161	24.4
211.93568	3.4
213.12550	4.4
221.13249	7.2
223.14844	6.8
225.12717	5.4
225.16350	4.8
226.13474	4.1
227.14355	17.6
233.13257	6.0
239.14325	24.1
241.15877	14.1
249.16365	17.4
250.17007	5.4
253.15790	17.4
267.17303	28.5
268.18323	4.4
269.15253	4.7
269.19077	6.1
281.18832	6.8
291.17334	8.3
297.18546	6.7
309.18256	36.5
312.17218	5.2
327.19473	100.0
345.13620	4.8
345.20584	39.7
358.64938	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	345.0944
Annotation	Eupatorin
Peak:m/z	Relative Intensity
59.04986	4.9
69.03394	3.2
72.08150	21.2
83.04971	3.5
85.02919	7.1
86.09671	4.7
88.01122	2.8
91.05463	11.5
91.64068	2.7
95.01288	4.0
95.04955	5.3
103.07575	3.7
108.33459	2.7
113.02354	5.8
121.10097	3.8
122.07128	4.9
136.07559	21.7
143.11800	3.4
165.11197	4.9
182.05066	5.2
221.00795	3.1
345.09296	100.0
345.14960	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	345.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
56.96551	0.9
57.03436	3.8
61.02922	8.1
62.64614	0.7
67.59040	0.9
69.03417	12.5
69.65766	0.8
73.02908	8.3
77.22294	0.7
81.03419	1.9
81.36855	0.9
85.02894	16.8
91.03960	3.5
97.02887	8.3
99.04436	1.0
101.00851	3.1
101.02340	1.4
109.02849	1.3
119.01933	4.9
123.02893	1.5
127.03905	5.5
131.01897	4.2
143.01898	6.1
145.03448	4.6
145.05061	1.0
147.03932	1.2
153.03940	1.1
154.94150	1.2
155.01865	8.9
156.02083	0.9
157.03482	1.6
159.22403	1.0
161.02898	7.2
169.03549	1.2
172.95277	3.3
173.02927	14.8
174.03152	1.5
174.04485	1.2
176.98373	1.0
177.00949	5.6
183.04977	1.5
185.02965	5.0
187.04544	4.0
197.03047	2.1
199.98622	0.9
200.98276	4.6
201.01006	1.4
203.04021	5.6
214.96498	22.4
215.04086	1.1
218.99818	2.1
219.01985	55.6
221.93842	0.9
227.03914	0.9
230.99547	0.9
234.06572	1.7
238.96530	3.6
242.99329	1.8
245.05109	6.8
245.92592	1.0
246.05299	1.0
246.98946	1.0
256.97559	100.0
257.97806	1.0
263.05984	1.1
264.07654	4.7
264.57587	1.8
279.99026	0.9
280.97528	2.0
285.00293	1.0
298.98575	65.6
321.99539	2.1
344.99982	3.7
347.08331	1.2
361.88965	1.0
365.09094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	33.9
55.05721	2.9
56.38055	3.3
56.65863	3.6
57.07054	10.2
59.04996	4.5
59.75869	3.8
67.05483	88.5
69.07041	24.1
70.54318	3.6
71.04967	8.5
71.08619	5.4
79.05469	9.2
81.07034	100.0
82.07352	7.3
83.08595	24.7
85.06537	4.9
88.07617	4.3
91.05440	15.8
93.07012	31.8
95.08588	84.7
96.08897	8.1
97.10133	4.2
98.40554	3.8
104.99246	24.8
105.07001	22.9
106.07371	4.1
107.08581	10.0
109.10135	65.6
114.44839	4.0
119.08558	10.2
120.08902	4.6
121.10093	21.0
123.11665	45.3
133.10132	21.7
134.10373	6.7
135.11687	23.3
136.12004	5.2
137.13277	6.0
145.10005	5.4
147.11617	8.9
148.12061	4.6
149.13268	5.3
156.93811	4.5
161.13326	4.8
173.11679	7.3
187.13249	32.3
189.16287	6.6
207.17450	4.0
231.96524	3.7
262.98065	8.3
275.33350	4.2
326.29147	7.2
327.25168	10.4
339.63947	4.4
344.30280	5.4
352.24823	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13839	2.0
53.03930	5.4
55.01857	11.5
55.05505	81.9
55.79605	1.9
56.96545	12.7
57.03422	5.7
57.77678	2.2
62.71535	1.8
65.03937	2.2
67.05494	100.0
69.03406	12.9
69.07053	27.1
70.07967	2.0
71.01343	4.2
71.04977	4.7
79.02987	2.3
79.05045	3.9
79.05473	63.3
81.03397	13.1
81.07043	54.5
83.04961	13.7
83.08595	31.7
85.02849	2.8
87.69537	2.5
91.05458	45.5
92.08724	2.4
93.07024	42.3
95.04935	24.1
95.08579	43.4
96.37733	2.4
97.10149	35.1
104.99255	18.2
105.07026	31.8
107.04939	4.6
107.08571	52.3
109.06482	4.3
109.10152	33.2
117.07017	4.7
119.08559	17.8
121.06427	2.5
121.10131	15.9
123.08057	5.3
125.09611	25.7
129.06920	4.0
131.08545	8.8
133.10088	11.4
135.08012	3.6
135.11642	4.1
136.60158	2.5
137.09619	5.4
139.11115	3.9
145.10155	3.7
147.11717	4.1
173.11667	4.5
173.13126	2.6
177.01436	2.3
189.11143	20.8
190.81970	3.1
223.13214	2.6
262.98047	5.1
265.12820	2.1
275.19952	18.0
291.19681	2.7
309.20410	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83662	5.3
54.48481	5.5
54.81372	6.1
55.01871	12.4
55.05500	49.5
57.03434	10.9
57.07053	9.3
64.31522	7.4
67.05492	100.0
69.03400	12.6
69.07049	45.9
71.04960	9.7
79.05473	57.1
81.07022	66.2
83.04964	12.9
83.08606	33.3
85.02903	8.4
91.05460	63.9
93.07014	67.8
95.04956	35.7
95.08598	49.4
104.99252	11.6
105.07008	37.7
107.08586	40.4
109.06492	8.8
109.10152	42.6
111.08076	11.0
112.96970	6.4
116.57490	7.5
119.08527	13.9
121.10127	12.6
123.08086	13.2
129.07021	7.8
131.08560	10.6
133.10112	11.3
173.11613	9.6
186.98232	8.0
240.23186	46.7
241.23462	42.3
260.23792	8.6
262.98105	15.4
343.95377	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	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10506	1.7
51.73405	1.7
53.03947	2.5
54.81840	2.3
55.01859	11.9
55.05235	2.9
55.05502	88.0
57.03429	16.7
67.05492	100.0
69.03410	13.6
69.07056	46.5
71.04967	15.7
79.05475	78.7
81.03400	20.5
81.07038	95.1
81.07523	2.6
83.04975	28.0
83.08595	35.9
85.02888	4.2
85.06530	5.0
91.05462	65.7
91.82719	2.1
93.06483	4.4
93.07023	88.5
95.04955	33.0
95.08588	56.8
97.02850	3.3
97.06512	14.4
97.10104	4.6
99.04423	4.2
99.08086	3.9
105.07006	42.5
107.04915	10.3
107.08575	41.8
109.06496	13.6
109.10139	24.6
110.79488	2.2
111.08056	26.3
113.05984	3.5
117.06987	13.6
119.01397	2.4
119.08549	32.5
121.06441	8.4
121.10121	38.3
123.08036	17.3
125.09603	12.8
128.06192	3.6
128.31964	2.3
129.06966	5.1
131.08563	24.1
133.06520	2.5
133.10104	30.7
135.08029	12.5
135.11682	10.4
137.09587	14.1
139.11157	5.5
143.08513	4.6
145.10086	11.3
147.08014	3.1
147.11653	3.2
149.09583	16.6
151.11168	9.7
153.09103	2.5
157.10135	2.6
160.33923	2.6
161.09689	7.7
163.11111	2.9
167.10681	9.4
169.10118	3.1
173.11769	4.1
175.11168	11.3
179.10612	5.6
197.11766	4.1
273.18350	11.2
291.19458	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01859	3.1
55.05509	7.1
56.04984	0.8
56.96554	1.0
57.03419	3.3
57.62621	0.6
64.96828	0.6
65.03901	0.7
65.75023	0.7
67.05145	1.3
67.05493	32.7
69.03392	2.6
69.07054	32.2
71.04960	3.6
71.14994	0.6
74.14281	0.7
76.24626	0.6
79.05476	22.2
81.03384	2.9
81.07039	23.0
83.04952	3.3
83.08585	3.3
85.02868	0.8
85.06534	1.0
87.04413	0.9
87.28321	0.6
88.87932	0.6
91.05469	11.3
93.06491	1.0
93.07029	17.0
95.04955	5.1
95.08587	100.0
97.06493	4.6
97.10140	3.0
99.04450	0.8
99.08054	0.8
101.90192	0.7
102.83999	0.7
103.05427	0.8
105.07003	11.5
107.04947	1.3
107.08585	24.3
109.02875	1.3
109.06489	3.7
109.10139	5.1
111.08066	1.4
117.06986	1.7
119.08553	4.8
119.56635	0.6
121.06485	1.5
121.10093	5.3
123.08047	4.0
123.11674	0.7
125.09597	1.1
129.06975	0.9
129.21994	0.7
131.08508	6.4
133.06447	1.0
133.10114	4.7
135.08087	0.8
135.11691	0.8
139.07526	4.1
141.09102	5.9
143.08510	1.0
145.10097	2.6
147.11667	3.2
149.05956	0.8
149.09560	1.5
149.13202	1.7
153.09094	1.6
157.10078	0.8
159.10141	23.2
159.11484	1.0
163.11090	0.9
169.09943	0.9
171.11717	0.7
176.31035	0.7
185.13139	0.8
187.09586	0.9
207.76723	0.6
213.11183	3.4
227.12700	1.2
263.19968	9.6
279.03625	0.7
291.19470	6.8
309.17001	2.3
309.20462	4.1
310.62164	0.9
327.17914	1.5
332.39490	0.7
339.75610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01858	4.0
55.05503	36.1
57.03418	11.7
59.40679	2.1
67.05141	3.2
67.05489	88.9
67.24012	1.9
69.03407	12.1
69.07051	31.9
71.04976	17.1
73.02870	2.3
79.05470	100.0
81.03424	20.5
81.07035	75.2
82.57842	2.0
83.04944	11.4
83.08594	9.2
83.10919	2.2
85.06480	3.0
87.04456	3.4
91.05448	51.8
93.07021	70.8
95.04950	29.5
95.08581	85.8
97.06483	19.0
97.10146	4.8
99.08122	2.2
101.05987	3.4
105.07011	28.7
107.04926	4.2
107.08575	62.2
109.06506	11.4
109.10140	31.6
115.03904	2.5
115.07579	3.8
117.07038	17.1
119.08540	24.4
121.06516	4.2
121.10104	19.2
123.08047	9.7
125.09607	5.6
131.08546	14.3
133.10101	16.0
135.08015	9.9
135.11710	5.5
137.09612	11.0
145.10123	11.3
147.11731	2.8
149.09575	3.1
149.13226	3.7
157.10126	3.6
159.10281	7.7
159.11607	4.9
161.13187	4.3
171.10109	13.0
181.12219	4.5
211.13547	3.4
263.19962	4.7
273.18515	2.9
291.19464	10.0
344.19360	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
54.95897	2.9
55.01861	3.5
55.05499	36.0
57.03418	5.7
57.07052	3.4
67.05490	82.3
69.03416	4.2
69.07053	28.4
71.04954	4.9
72.09037	2.6
75.01152	3.1
77.24692	2.9
79.05479	100.0
81.03417	7.5
81.07043	61.9
83.04961	7.5
83.08593	14.9
85.06522	4.6
91.05461	37.1
93.07026	54.1
95.04932	21.1
95.08585	62.9
97.06515	6.7
97.10139	17.9
104.99252	7.9
105.07006	22.6
107.04952	4.5
107.08580	75.5
109.06519	6.2
109.10146	28.3
111.08089	4.6
117.06973	18.1
119.08553	18.3
121.10094	14.8
125.09602	28.7
131.08525	13.4
133.10120	16.6
135.08008	7.5
137.09589	5.5
139.11159	13.1
143.08589	5.4
147.11595	4.7
148.32251	3.6
153.09096	5.3
156.13753	4.2
159.10252	9.3
159.11574	6.4
170.11711	18.2
171.10126	19.7
189.11180	6.1
262.97992	4.4
291.19376	12.6
326.23062	14.2
344.19113	6.1
360.21344	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
54.95897	2.9
55.01861	3.5
55.05499	36.0
57.03418	5.7
57.07052	3.4
67.05490	82.3
69.03416	4.2
69.07053	28.4
71.04954	4.9
72.09037	2.6
75.01152	3.1
77.24692	2.9
79.05479	100.0
81.03417	7.5
81.07043	61.9
83.04961	7.5
83.08593	14.9
85.06522	4.6
91.05461	37.1
93.07026	54.1
95.04932	21.1
95.08585	62.9
97.06515	6.7
97.10139	17.9
104.99252	7.9
105.07006	22.6
107.04952	4.5
107.08580	75.5
109.06519	6.2
109.10146	28.3
111.08089	4.6
117.06973	18.1
119.08553	18.3
121.10094	14.8
125.09602	28.7
131.08525	13.4
133.10120	16.6
135.08008	7.5
137.09589	5.5
139.11159	13.1
143.08589	5.4
147.11595	4.7
148.32251	3.6
153.09096	5.3
156.13753	4.2
159.10252	9.3
159.11574	6.4
170.11711	18.2
171.10126	19.7
189.11180	6.1
262.97992	4.4
291.19376	12.6
326.23062	14.2
344.19113	6.1
360.21344	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	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.3
55.01860	4.7
55.05503	100.0
57.03429	24.5
57.07067	3.3
58.45178	1.7
59.04993	2.4
65.03925	2.6
67.05490	69.3
69.03403	8.8
69.07056	30.0
70.48275	2.1
71.04968	16.9
79.05475	91.4
81.03403	38.8
81.07040	56.3
83.04950	13.9
83.08598	49.0
85.06500	7.9
91.05460	45.7
93.07022	92.8
95.04936	41.1
95.08591	37.7
97.06478	8.5
97.10147	51.4
105.07000	30.9
107.04923	12.6
107.08566	30.1
108.91023	2.0
109.06503	16.9
109.10146	5.1
113.05974	12.9
117.06982	14.0
119.08565	21.5
121.06461	4.1
121.10144	18.1
123.08024	23.8
125.09606	35.2
127.24284	2.1
129.07016	2.4
131.08534	9.9
133.10095	10.7
135.08043	9.2
135.11690	2.9
141.06973	2.4
143.08461	2.4
145.06470	2.8
145.10109	3.2
147.07982	2.7
147.11633	2.3
153.09087	2.9
159.11644	4.4
161.09550	2.3
171.11555	2.0
185.52528	2.5
189.11105	23.1
193.37979	2.1
205.12004	2.4
219.13640	2.4
220.87309	1.8
221.15367	5.1
223.13237	27.2
224.55148	1.9
273.18472	10.2
291.19452	16.0
309.20444	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	344.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.5
53.03952	1.1
53.25307	0.6
55.01862	3.1
55.05485	2.7
56.96567	1.2
57.03429	9.3
58.86543	0.6
59.04989	24.7
61.02913	6.1
63.07870	0.6
66.68819	0.6
67.05507	5.9
69.03410	12.9
69.07053	51.1
71.04604	1.1
71.04975	23.9
73.02901	5.8
73.06538	16.7
75.04458	29.1
79.05476	6.0
81.03390	4.8
83.38572	0.7
85.02890	31.3
85.06523	10.2
86.09666	0.9
87.04456	4.1
87.08105	1.0
89.06010	9.7
91.03940	0.9
91.05463	10.5
97.02871	10.1
97.06510	100.0
98.97567	1.0
99.04454	0.8
99.08065	6.9
101.05991	3.1
103.03954	0.8
103.05438	0.8
109.02856	3.1
115.03912	2.7
115.07549	16.4
119.04916	30.1
119.07032	11.6
123.04399	3.4
127.03888	3.7
129.09094	69.2
136.07552	58.1
143.03146	0.8
145.04933	3.0
147.04414	1.7
147.10181	5.2
162.96201	0.7
164.07043	6.6
165.05478	5.1
165.07571	4.4
165.11198	37.9
170.20601	0.8
182.08090	44.2
224.09076	1.1
233.47272	0.7
244.97121	0.7
344.13287	4.2
347.64749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32423	1.8
56.96553	3.7
57.03426	3.4
59.04987	100.0
61.02913	4.3
62.07628	2.0
69.03410	12.1
73.02895	2.3
77.05991	2.5
81.03385	2.6
85.02892	35.3
89.06004	30.7
91.10455	2.1
97.02881	8.3
98.97578	2.6
103.07555	86.4
109.02874	2.5
122.06038	4.2
127.03868	2.2
127.25259	2.3
132.49210	2.1
132.66318	2.1
133.08545	4.6
135.65047	2.4
146.06013	3.3
161.13264	2.2
163.03795	4.8
164.06966	19.6
165.11177	84.5
182.04926	52.9
227.06232	2.4
339.04385	2.8
344.10083	8.9
344.13846	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	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01865	0.4
57.03408	0.9
61.02903	2.0
68.69781	0.3
69.03411	3.9
71.04967	0.4
73.15501	0.3
81.03383	1.8
85.02886	18.4
87.04485	0.4
90.24978	0.3
91.05450	4.5
92.09288	0.6
97.02840	3.3
99.04422	0.8
109.02859	1.6
119.04916	23.4
123.04387	2.8
127.03873	1.8
131.41885	0.4
145.04953	2.4
147.04387	100.0
163.05981	0.4
165.05441	26.8
173.14284	0.4
180.08711	0.6
182.08125	0.6
349.95251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47721	0.3
54.82333	0.4
57.03418	1.6
61.02909	1.6
65.75341	0.4
69.03411	4.3
71.04968	0.5
81.03397	0.9
81.36266	0.4
85.02889	18.3
91.05451	5.8
97.02853	3.1
99.04483	0.5
109.02914	0.6
119.04921	24.4
123.04386	2.0
127.03891	2.0
133.72423	0.4
145.04901	0.9
147.04388	100.0
165.05432	31.0
180.08630	0.7
182.07980	0.5
241.46448	0.4
241.83392	0.4
344.13217	0.6
359.44296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58911	1.6
55.05503	16.8
57.07064	11.8
57.81952	1.5
60.76143	1.7
61.47037	1.5
65.75658	1.6
67.05497	27.1
67.10072	1.8
69.07049	24.3
71.04971	7.7
71.08624	2.5
75.54858	1.7
79.05455	14.2
81.07038	71.5
83.08588	4.7
85.06529	14.6
91.05460	12.5
93.07025	41.4
95.08584	100.0
97.10149	3.5
105.06999	35.9
107.08577	50.3
109.10139	55.4
117.07007	3.5
119.08561	35.0
121.10127	46.4
123.11691	29.0
131.08569	15.4
133.10110	39.1
135.11665	39.6
137.13200	25.6
145.10121	22.8
147.11635	25.1
149.13208	20.3
151.11133	2.4
151.14761	4.2
151.27478	2.3
157.10095	2.7
159.11688	12.2
161.13191	20.4
163.14792	14.1
171.11711	3.1
173.13216	21.7
175.14815	8.4
187.14824	12.3
189.16357	17.8
191.14276	13.8
191.18016	4.3
193.16112	2.1
199.14743	2.4
201.16414	11.3
203.17932	8.4
207.17397	12.8
215.17937	8.3
217.19553	2.8
224.86322	2.2
255.21034	3.9
325.28793	46.4
343.29883	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	343.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74616	0.8
55.05500	15.4
57.07062	8.2
65.15095	0.8
67.05489	24.4
69.07048	27.1
71.04971	7.0
71.08617	1.4
79.05469	16.7
81.07035	71.9
83.08598	10.2
85.02759	0.9
85.06523	10.2
91.05461	14.0
93.06121	1.0
93.07021	37.3
95.08582	100.0
97.06522	1.5
97.10141	4.1
105.07008	27.3
107.08568	53.5
109.06503	1.3
109.10138	48.1
111.08041	1.0
111.11684	1.5
113.09615	0.9
117.07008	1.9
119.08548	31.5
121.10112	40.1
123.11682	27.6
131.08545	14.3
133.10097	38.6
135.11668	30.9
136.46518	1.1
137.09579	1.9
137.13229	23.8
139.11185	1.2
143.08563	1.5
145.10091	25.0
147.11658	20.6
149.13240	17.7
151.11197	2.1
151.14816	5.3
157.10129	4.3
159.11633	13.2
161.13242	16.6
163.11278	1.2
163.14748	10.4
165.12640	1.2
165.16331	1.2
171.11714	2.1
172.12341	1.0
173.13199	15.1
175.14743	11.0
177.12759	1.1
177.16328	6.3
179.14264	1.6
185.13199	3.3
187.14795	12.2
189.16393	12.4
191.14241	8.9
191.17891	7.6
199.14812	1.8
201.16321	12.3
203.17892	6.9
205.19498	2.0
207.17456	8.9
211.60255	0.9
213.16353	1.5
215.17970	7.8
217.19524	2.0
219.17380	1.2
227.17929	1.6
229.19527	2.3
231.20967	1.7
233.19054	1.3
241.19421	4.9
243.20908	1.4
255.21019	1.7
269.22537	4.2
272.38217	1.2
312.40649	1.0
325.28818	48.9
343.29886	35.9
343.33997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.00297	2.5
53.03928	3.5
54.82118	1.4
55.01858	7.6
55.05502	37.9
57.03420	6.9
57.07048	7.3
59.04981	4.1
60.32352	1.5
60.42627	1.3
67.05488	33.7
69.03405	11.1
69.07050	21.4
71.04957	10.0
71.08613	1.7
79.05473	38.5
81.03375	2.8
81.07036	57.3
81.93163	1.7
83.04970	2.9
83.08598	16.4
85.06483	2.6
91.05457	53.6
92.08693	2.4
93.06479	3.4
93.07016	57.5
95.04955	31.9
95.08576	77.9
97.06487	14.1
97.10132	16.2
105.07010	88.3
107.04929	2.7
107.08574	65.8
109.06490	12.0
109.10124	10.8
115.05405	8.1
116.06165	3.1
117.06988	30.8
119.08531	25.6
121.06445	12.2
121.10110	20.2
123.08029	19.4
123.11665	2.9
125.09615	11.4
128.06198	7.2
128.61429	2.1
129.07007	17.6
129.07886	2.5
130.07774	10.8
131.08540	26.4
133.06415	2.3
133.10115	14.0
135.04355	1.9
135.08025	15.5
135.11667	11.6
137.09584	2.1
137.13254	2.9
142.07779	6.6
143.08545	27.7
144.09358	3.4
145.06493	2.8
145.10086	56.1
147.08040	8.8
147.11661	17.1
149.05940	2.2
149.09572	3.4
151.07486	18.3
153.09006	2.9
155.08551	8.1
156.09305	14.1
157.10118	21.8
158.97633	7.6
159.08008	1.9
159.11606	16.5
159.97922	3.9
160.97310	14.7
161.09608	3.7
161.13223	6.4
163.07455	4.2
163.11067	13.1
165.09067	3.9
168.09322	2.0
169.10074	13.2
171.11665	34.6
173.09566	3.8
173.13245	17.0
175.07817	2.5
175.11087	2.6
181.10052	8.0
183.11702	7.3
184.08839	1.9
185.13240	2.9
187.11140	4.1
187.14873	2.2
189.11212	8.0
189.12730	2.7
191.10675	2.5
193.10049	2.1
195.11676	4.3
197.13223	4.0
199.11095	15.0
201.12883	1.9
201.14784	3.7
203.14323	2.5
207.11742	2.5
211.14813	1.8
213.16316	3.2
215.10797	6.3
217.12166	20.4
221.15335	6.3
241.16176	2.1
265.19290	2.1
279.20944	5.7
281.72061	2.0
325.21518	10.7
343.22604	100.0
343.26187	3.9
344.07202	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.56871	2.6
53.03921	4.4
54.82010	2.5
55.01855	6.5
55.05514	26.1
57.03424	7.6
57.07062	7.8
59.04986	3.9
67.05492	32.8
67.05785	3.5
69.03402	7.6
69.07046	12.3
71.04973	16.7
72.35297	3.1
79.05471	34.6
81.03392	4.2
81.07035	43.4
83.08611	4.3
85.06544	3.9
91.05458	41.9
93.07021	84.7
95.04942	53.5
95.08584	100.0
97.06497	21.7
100.07932	3.5
105.07007	87.3
107.08569	50.6
109.06504	18.4
109.10124	11.4
115.05399	7.2
117.07001	36.6
119.08551	39.2
121.06467	13.3
121.10136	22.1
123.08060	26.6
129.07016	4.2
130.07739	21.8
131.08551	7.5
133.06491	7.4
133.10088	15.8
135.08032	19.9
135.11678	15.4
137.09660	4.9
143.08524	16.4
145.10109	76.5
147.08000	7.3
147.11661	6.2
151.07507	38.0
155.08508	3.7
156.09348	3.5
157.10144	14.4
159.11632	5.6
163.11136	34.1
165.09065	13.2
169.10057	4.0
171.11758	3.6
173.09558	4.6
187.11072	3.9
189.12701	4.8
203.14360	5.0
218.10448	3.1
221.15279	12.9
286.19174	4.2
343.22623	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1901
Annotation	Terresterone A
Peak:m/z	Relative Intensity
51.32687	1.3
55.01877	2.7
55.05493	7.6
57.03415	1.7
64.33518	1.6
64.36819	1.5
67.05504	14.1
69.03405	7.5
69.07047	10.5
71.01052	1.6
71.04977	2.1
73.62806	1.5
79.05486	14.9
81.07034	22.6
82.03445	1.6
82.87756	1.5
83.04977	13.5
83.40006	1.6
85.02885	11.7
85.06548	3.4
91.05467	24.4
93.07033	25.8
95.04959	13.7
95.08578	22.6
97.06517	19.6
105.07014	42.5
107.04925	8.0
107.08585	13.7
109.06514	11.4
109.10139	8.6
111.43667	1.6
113.06017	7.5
115.05421	3.3
117.06998	8.3
119.08553	25.7
121.06480	17.7
121.10115	6.6
123.04404	8.0
123.08059	11.8
125.26380	1.5
128.06210	9.1
129.06979	9.3
130.07776	2.4
131.08545	46.8
133.06461	8.4
133.10107	49.6
135.08032	11.7
137.05879	2.7
137.09647	2.3
141.06944	2.7
142.07764	3.8
143.08527	33.1
145.06483	3.8
145.10075	19.9
147.08034	20.1
147.11653	2.1
149.06007	3.6
149.09615	3.1
149.13248	2.3
153.06944	1.9
155.08548	17.2
157.06538	3.1
157.10139	12.5
158.07210	3.2
159.08047	27.0
159.11676	2.6
160.08807	2.0
161.09593	33.7
163.07529	2.2
163.11168	1.8
164.62724	1.7
165.07019	2.9
166.07738	2.8
167.08479	2.7
168.09271	2.1
169.10132	11.4
171.08049	11.5
171.11649	4.1
173.09578	35.3
175.11179	7.1
178.07773	2.0
179.08607	3.3
180.09436	2.5
181.04951	3.0
181.10100	14.6
183.08092	2.2
183.11691	3.4
185.09586	7.3
185.13210	2.2
187.11177	4.2
189.06863	1.7
189.09039	6.6
191.08447	3.6
192.09299	3.6
193.10132	10.9
195.08029	3.4
195.11647	13.6
197.09587	4.2
197.13319	3.2
199.11198	10.1
205.10132	9.0
206.10770	3.3
207.11685	9.0
207.65021	2.1
209.09642	4.0
211.11140	8.2
212.12071	1.9
213.12732	7.7
215.10611	4.0
217.10167	3.4
219.11839	6.3
221.09586	2.4
221.13220	8.2
223.11105	6.4
223.14798	3.0
224.12029	3.0
225.12718	3.9
231.11615	4.2
232.12466	3.0
234.10374	2.0
235.11058	2.8
237.12700	7.3
239.14238	3.7
245.13208	2.6
246.14040	2.3
247.14702	8.3
249.12720	8.6
250.13461	8.1
251.14136	3.2
264.15164	6.1
265.15765	39.4
267.13644	3.7
279.17361	14.3
281.15314	3.8
283.16791	22.7
289.15829	3.1
292.14481	2.5
297.18478	3.5
299.16449	8.6
307.16895	58.7
325.17926	56.2
343.12360	2.4
343.18994	100.0
344.34540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.19
Annotation	6beta,12beta-Dihydroxymestranol
Peak:m/z	Relative Intensity
53.99103	7.1
55.01853	14.5
55.05508	16.5
56.96549	9.5
67.05482	36.9
69.07050	14.6
72.19497	7.4
79.05469	41.2
81.07037	55.6
83.04948	9.1
85.02854	12.3
91.05467	49.0
92.08750	8.5
92.09245	12.9
93.07015	50.4
95.04945	17.4
95.08566	37.6
95.14528	8.0
97.02935	10.4
97.06525	10.7
98.24676	8.2
105.07015	79.5
107.08590	38.9
109.06494	20.5
117.06956	12.9
119.08563	39.9
121.06477	19.8
123.08056	12.8
125.05956	7.8
125.76392	7.1
128.06169	8.7
129.06963	14.8
131.08560	50.4
133.06447	14.8
133.10075	20.6
143.08580	33.9
145.10100	38.8
147.07997	19.0
147.11591	9.5
155.08488	13.0
157.10052	15.4
157.76643	7.8
159.08014	34.8
161.09619	14.1
169.10002	11.6
173.09596	20.6
179.08539	9.2
181.10152	10.2
185.09572	9.5
193.10115	12.4
195.11588	13.8
203.10744	14.6
207.11726	20.9
211.11037	8.5
221.13107	11.2
249.12984	8.6
265.15790	19.1
283.16888	18.1
307.16946	40.3
325.17987	100.0
343.19052	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1898
Annotation	Terresterone A
Peak:m/z	Relative Intensity
51.11382	1.2
55.01862	2.0
55.05497	5.6
62.18150	1.4
67.05493	11.9
69.03414	2.5
69.07049	3.3
79.05466	15.7
81.07021	8.5
83.04966	9.8
85.02867	6.5
85.06495	2.2
91.05459	22.0
92.09311	3.2
93.07039	12.8
95.04927	7.6
95.08578	14.4
97.06507	14.1
105.07005	32.4
107.04914	3.5
107.08560	8.7
107.91356	1.5
109.06500	13.1
113.05989	8.1
115.05412	1.8
116.19077	1.7
117.07017	7.5
119.08555	24.3
119.87422	1.4
121.06452	11.5
123.07993	12.0
128.06183	8.3
129.06970	8.2
131.08540	36.7
133.06494	9.7
133.10106	39.3
135.08034	8.0
137.09547	2.0
141.06960	3.5
142.07709	2.4
143.08533	25.0
144.05646	2.2
145.06416	6.0
145.10095	13.7
146.07307	1.9
147.08043	14.5
149.09558	2.0
151.07555	1.9
155.08495	16.6
156.09283	2.0
157.06499	2.7
157.10110	9.0
158.07245	6.8
159.08015	23.7
161.09589	39.5
165.07010	6.0
166.07681	2.7
169.10117	8.5
171.08006	6.9
171.11690	1.9
173.09569	33.5
174.10312	1.5
175.11130	3.1
179.08540	7.5
180.09326	2.7
181.10080	11.7
183.11658	3.5
185.09555	5.7
185.13206	2.1
187.11168	3.4
187.73451	1.3
189.09070	3.0
192.09320	2.6
193.10150	8.8
194.10867	2.6
195.08041	3.2
195.11670	8.2
197.09570	3.1
197.13089	1.7
199.11171	6.8
203.08566	2.2
204.09367	2.5
205.10109	8.3
206.10928	5.9
207.11674	11.8
209.09633	6.9
209.13235	7.2
210.10501	1.7
211.11107	5.8
213.12669	2.9
215.10686	2.5
217.10028	3.4
218.11064	1.6
219.11621	3.3
221.13217	8.5
223.11182	5.7
223.14819	2.4
224.11890	2.9
225.12697	6.7
227.10748	2.1
231.11540	2.3
232.12436	2.5
234.10419	2.2
235.14796	2.1
237.12759	5.2
239.14261	5.4
245.13173	6.6
247.14806	3.2
249.12622	7.6
250.13484	8.2
253.15817	1.9
257.25464	1.4
259.11206	2.0
261.16281	1.8
263.14490	1.5
264.15021	2.4
265.15778	24.2
266.16354	1.5
267.13611	3.2
279.17392	9.4
281.15366	5.8
283.17032	13.1
283.19684	1.9
289.15802	2.0
292.14551	2.3
297.18448	2.2
299.16370	5.4
307.16864	28.5
325.17908	29.3
343.18970	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	343.1899
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
54.81306	1.2
55.01849	1.6
55.05495	1.2
56.43147	0.9
56.64838	0.9
67.05483	2.1
69.03439	1.4
69.47257	1.1
69.99368	1.1
71.11134	1.1
79.05467	8.6
81.07029	5.4
83.04964	13.3
85.96349	1.2
91.05463	9.7
92.08923	7.0
93.07026	9.0
95.04962	1.7
95.08570	2.1
97.06499	19.9
105.07012	17.1
107.04927	5.6
107.08540	4.8
109.06502	8.4
117.06983	5.2
118.80382	1.2
119.08575	11.7
121.06470	7.2
123.08078	1.9
127.18707	1.2
128.06203	6.4
129.07011	6.0
131.08517	12.4
133.06494	1.3
133.10101	2.2
135.08028	8.6
141.06987	1.3
142.07777	1.8
143.08542	10.1
145.06471	6.3
145.10130	3.1
147.08006	16.1
153.06993	1.6
155.08524	6.1
157.10132	7.4
159.08015	5.9
161.09583	10.5
165.07004	2.9
165.09160	1.9
167.08527	2.5
169.10072	6.2
171.07968	2.1
173.09621	2.6
179.08528	2.5
181.10133	8.0
183.11713	5.9
189.09125	1.8
191.08466	1.6
192.09334	10.3
193.10083	3.1
195.11691	6.1
205.10136	6.5
206.10840	2.3
207.11690	39.9
211.10974	1.6
217.10017	5.0
219.11578	2.2
221.13223	6.7
223.11249	2.1
223.14801	2.5
225.12697	11.4
230.10956	1.3
231.11591	1.6
232.12373	5.1
239.14299	2.3
247.14812	5.8
249.12675	7.3
251.17226	1.6
264.15216	2.1
265.15836	15.0
267.13675	1.8
283.16879	8.6
297.72110	1.4
307.16919	2.4
343.18958	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	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26130	0.9
51.86185	0.9
53.03938	1.9
54.67411	0.8
55.01853	1.6
55.05490	4.5
57.03420	7.0
57.07086	1.1
61.02903	6.9
67.05478	1.3
69.03073	1.4
69.03419	22.0
71.04968	5.4
72.45261	1.1
73.02886	4.4
79.05473	8.4
81.03416	9.1
81.07035	16.9
83.01320	1.3
83.04971	11.1
84.08127	1.2
85.02892	51.4
86.09679	2.1
87.04465	1.5
91.03925	2.0
91.05457	9.2
92.09334	2.0
93.07027	22.0
95.04951	37.0
95.05516	2.2
95.08601	4.1
97.02891	15.9
97.06511	6.5
99.04420	4.0
105.07014	16.9
107.04937	1.5
107.08580	23.2
109.02885	4.6
109.06504	2.2
115.05460	1.4
117.06995	6.0
119.08533	7.5
121.06490	6.6
121.10120	20.2
123.08005	1.5
123.31099	1.0
125.05981	12.2
127.03875	9.2
130.07780	7.8
133.06535	1.6
135.08069	4.0
135.11702	11.6
137.05981	2.0
137.09570	1.1
137.96259	1.0
143.08511	1.1
145.04944	4.4
145.10114	28.0
147.08058	2.2
161.09593	1.7
163.11154	100.0
181.04947	6.5
181.12164	10.7
182.55534	1.1
194.11475	1.2
223.81229	1.1
228.78488	1.1
273.98996	1.2
276.07657	1.1
299.91190	1.1
307.15396	1.2
323.59644	1.1
343.13675	18.1
343.17383	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07282	0.9
53.03934	2.6
54.18740	0.9
55.01853	1.1
55.05485	4.7
56.75080	0.9
57.03416	7.5
57.07066	1.5
61.02908	8.5
62.21484	0.9
67.05486	4.3
69.03414	24.0
69.07039	2.2
71.04971	2.3
73.02908	2.3
79.05482	7.9
81.03410	11.8
81.07038	15.9
83.04980	10.9
84.08139	1.4
85.02890	54.0
86.09666	1.9
87.04433	1.8
91.05454	12.1
92.09108	6.4
93.07035	20.3
95.04941	40.8
95.08614	1.7
96.90207	1.1
97.02879	15.5
97.06499	7.3
98.97584	1.3
99.04428	2.7
103.03942	1.2
105.07008	17.9
107.04938	1.3
107.08569	28.1
109.02848	6.3
109.06492	4.7
109.10119	1.3
116.07081	1.3
117.07025	5.2
118.06561	1.1
119.08531	9.9
121.06462	6.6
121.10104	20.5
123.08007	1.5
125.05965	12.8
127.03919	9.1
130.07751	6.6
131.08495	1.2
133.06465	1.4
135.07997	2.3
135.11679	14.0
137.05991	1.5
143.08583	1.5
145.04929	7.4
145.10100	35.5
147.08064	1.7
148.08803	1.4
161.09555	1.3
163.03822	1.7
163.11147	100.0
177.05499	1.2
181.04884	7.0
181.12152	10.0
233.14148	1.3
259.10648	1.2
343.13513	18.4
343.17233	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1232
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
50.70205	0.5
51.69641	0.4
53.03934	1.1
54.82119	0.5
55.01619	1.0
55.01865	13.0
57.03428	17.2
61.02916	8.3
69.03413	42.7
69.07057	1.5
70.03730	0.7
71.01337	1.2
71.04963	4.8
72.08134	0.8
73.02904	9.0
73.06518	0.9
73.53773	0.6
74.02434	1.1
81.03393	7.4
85.02890	100.0
85.06503	1.1
86.03218	3.0
86.09705	0.7
87.04446	1.0
87.15752	0.6
88.03939	0.8
89.14580	0.7
91.03933	1.5
95.04938	0.7
96.17153	0.7
97.02866	32.6
99.04439	10.1
100.91813	0.6
101.02363	9.6
103.03949	0.6
109.02861	10.1
115.03925	3.9
115.07561	2.5
116.07863	0.8
127.03890	56.2
127.07515	0.7
128.04218	1.4
137.71205	0.6
139.69041	0.7
145.04942	27.6
146.05386	0.7
147.67909	0.6
163.05998	7.2
163.09608	0.8
226.92297	0.7
327.62772	0.8
353.59543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.3
55.05495	0.5
57.07066	13.4
58.06590	1.9
62.06075	4.0
62.86167	0.2
69.07049	0.9
71.08610	6.4
72.08125	1.9
83.08581	0.5
85.10159	1.1
88.85314	0.3
89.57386	0.2
92.09083	0.6
95.96985	0.2
97.01971	0.2
121.10133	0.2
138.70047	0.2
156.17419	2.1
174.18481	6.5
212.23769	1.8
230.24744	5.4
304.19705	0.2
324.36133	1.6
342.37222	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	343.102
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03942	2.3
53.17513	0.3
55.01852	0.6
55.05500	0.5
57.03423	0.7
58.75759	0.3
60.42483	0.3
61.02908	0.4
61.60454	0.3
62.80832	0.3
65.03927	7.5
67.05490	4.1
69.03416	6.7
69.07042	0.8
71.04955	0.5
73.58381	0.3
79.05457	0.8
81.03391	6.2
81.07040	2.0
82.00498	0.3
82.04186	3.9
83.04936	0.6
85.02891	11.8
91.05421	0.5
93.03383	2.0
93.07016	1.7
93.65817	0.3
95.04949	5.4
95.08573	1.9
97.02859	2.6
97.06512	3.0
98.20807	0.3
99.04424	1.5
105.04485	0.5
105.07015	1.6
107.08537	0.7
108.02087	1.9
109.02851	1.6
109.10143	0.6
110.03650	4.2
111.04414	2.4
119.08575	0.4
121.02817	0.5
121.10092	0.5
123.04393	2.1
123.11662	0.5
125.02306	0.6
125.05962	2.4
127.03869	0.5
138.03099	2.5
140.03606	0.7
140.04660	18.4
142.02592	3.1
147.11710	0.6
153.05432	1.6
155.06975	3.7
157.99004	0.3
161.09593	0.5
170.02040	0.4
171.06503	8.3
171.07928	0.6
173.08003	0.4
173.13185	0.4
181.04922	100.0
199.05984	3.1
224.68205	0.3
227.14240	0.4
239.07146	0.4
325.09027	1.9
343.10480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.2
55.01859	14.8
55.05500	29.4
56.96542	7.8
57.03433	25.7
57.07066	4.2
59.84157	2.8
65.03928	3.5
67.05492	44.0
67.67982	2.8
68.27005	2.6
69.03410	7.7
69.07051	8.4
69.35326	3.3
71.04969	7.9
79.05464	32.6
81.03392	59.4
81.07042	25.0
83.04922	5.6
83.08601	15.3
85.02897	7.3
85.06511	35.4
91.05463	34.5
92.09377	4.2
93.07017	17.9
95.04955	49.7
95.08589	18.9
97.06522	7.7
97.10139	12.7
98.97549	6.0
99.04474	5.2
105.07003	25.9
107.04934	100.0
107.08571	6.5
109.06473	8.1
109.10144	13.4
113.06010	4.1
116.98603	12.9
117.06995	8.1
119.08550	18.6
121.02813	4.7
121.06482	33.8
121.10050	5.3
125.09634	5.3
129.07011	14.6
131.08545	13.2
133.10074	5.4
134.99593	4.2
135.08044	20.0
145.10117	8.0
159.07990	12.8
159.11739	4.7
161.01178	14.8
161.09482	3.9
163.07634	4.2
165.09052	27.5
171.11720	5.2
173.09535	3.8
175.11176	13.8
199.11165	5.9
233.15273	7.6
235.13208	37.1
271.16818	4.0
289.17929	46.0
307.19043	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	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
53.64738	0.5
53.87133	0.4
54.26606	0.5
55.01848	0.8
55.05495	1.2
57.03422	10.5
58.09316	0.5
59.04979	1.0
59.06300	0.5
61.02914	3.2
69.03413	6.1
71.04979	3.6
71.08607	9.6
73.02866	0.9
76.91694	0.5
79.05476	2.6
81.03397	1.0
81.07034	25.7
83.04960	0.7
85.02886	22.2
85.06512	4.2
87.18349	0.6
97.02879	6.4
99.04454	0.8
99.08067	29.3
109.02847	1.2
109.06497	29.3
117.09103	100.0
118.33975	0.6
127.03858	3.0
127.07526	46.2
127.14857	0.5
127.86983	0.5
133.64072	0.6
145.04832	0.7
145.08653	1.0
163.09613	21.8
181.04916	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	341.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50199	0.7
55.05506	57.3
57.03420	1.5
57.07067	40.2
67.05502	19.7
69.07056	100.0
69.77131	0.7
71.04980	1.5
71.08247	1.2
71.08616	27.3
79.05482	9.1
81.07040	48.2
83.04967	2.1
83.08115	2.1
83.08606	60.6
83.21026	0.8
85.06528	12.7
85.10164	8.1
85.69463	1.1
91.05456	3.9
92.09313	1.2
93.07020	17.9
95.08582	46.0
97.06517	10.1
97.10152	38.4
97.80638	0.9
98.08822	1.0
99.08044	1.1
105.07018	15.0
107.08594	21.3
109.06485	4.0
109.10142	21.7
111.08047	8.0
111.11707	20.7
115.07535	4.9
119.08555	11.6
121.10120	16.8
123.08023	4.6
123.11683	9.8
125.09629	1.3
125.13242	4.6
127.07522	2.2
129.09131	1.5
133.10109	11.5
135.11668	12.6
137.09592	3.9
137.13213	5.2
139.11168	1.8
139.14738	3.5
141.09103	1.5
143.10616	1.3
147.11708	9.3
149.13271	6.4
151.11143	4.5
153.12762	3.5
161.13235	10.4
163.14815	5.0
165.12727	5.8
167.14355	1.0
169.12173	1.5
175.14783	5.2
177.16403	1.4
179.14287	7.3
182.16866	1.1
183.13756	1.9
189.16412	1.3
191.17896	1.8
193.15822	2.1
197.15253	1.7
203.17841	1.0
205.19435	1.3
207.17368	1.5
207.20964	1.4
231.21080	1.3
263.27277	3.6
287.27219	5.4
305.28409	7.0
317.66791	0.9
323.29306	1.2
341.26630	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2108
Annotation	Microferin
Peak:m/z	Relative Intensity
55.01856	0.6
55.05493	3.4
55.53824	0.5
67.05492	9.0
68.79697	0.4
69.07040	2.5
71.58842	0.4
72.86391	0.4
79.05478	7.8
81.07032	8.2
83.08591	5.5
84.76060	0.5
85.02874	0.9
91.05456	10.2
92.08661	2.2
93.07021	6.5
94.00075	0.5
94.68015	0.5
95.04959	0.6
95.08575	7.6
97.10154	0.6
103.05449	0.5
105.03370	0.5
105.07010	14.2
107.08570	7.5
109.10138	14.1
115.05432	9.3
116.06183	0.7
116.98574	0.7
117.06997	14.3
119.08564	5.9
121.10128	3.3
128.06198	3.0
129.06958	7.1
131.08554	6.0
133.06454	3.2
133.10104	4.4
135.11664	2.5
141.06976	5.9
142.07764	0.9
143.04858	0.7
143.08539	7.2
144.05708	0.9
144.09290	0.7
145.06482	0.9
145.10104	3.4
147.11646	4.9
149.05988	0.7
149.13237	5.5
153.06981	0.8
154.07748	3.7
155.08536	6.8
156.09372	1.0
157.10056	3.9
159.11662	3.2
161.04575	1.1
161.05933	25.0
161.13199	4.4
162.06726	4.5
163.07468	1.0
165.06992	0.9
167.08554	4.0
168.09360	0.7
169.10098	7.9
171.08026	0.9
171.11650	2.2
173.05901	1.8
175.07497	3.2
179.08545	0.9
181.10081	3.8
183.11690	2.6
185.09555	0.7
185.13171	0.8
187.07433	4.1
189.09132	0.9
190.07632	0.5
193.10031	0.9
195.08128	1.8
195.11674	3.0
197.09599	3.2
197.13286	1.0
199.07555	2.9
201.09042	3.8
203.27406	0.5
209.13234	1.2
213.07031	1.1
213.09059	29.2
215.10629	15.4
221.13246	1.1
223.11188	0.7
227.10620	7.7
229.12204	2.8
235.15060	0.6
239.10614	0.8
241.12222	8.0
255.13887	0.9
263.18030	0.7
267.13858	1.2
274.88995	0.6
281.15399	0.7
323.19974	17.4
341.21027	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	341.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25607	1.7
55.01869	15.6
55.05505	40.6
55.12313	2.0
57.03429	34.7
57.07061	14.3
59.04992	8.4
61.02907	16.6
65.03914	2.8
67.05492	16.3
69.03416	100.0
69.07046	24.5
69.48654	1.9
71.04961	2.6
79.05472	22.9
81.03405	7.7
81.07037	85.0
83.04962	56.7
83.08606	51.3
85.02887	74.1
85.03345	2.8
85.06539	2.4
86.09712	2.8
87.04447	30.5
91.03935	4.5
91.05456	12.2
93.07018	30.9
95.04942	22.5
95.08598	31.5
95.48386	2.0
97.02873	53.3
97.06486	19.8
97.10146	3.1
105.07017	15.8
107.04928	2.3
107.08580	38.8
109.06512	21.5
109.10146	33.2
110.07156	7.9
111.04451	4.7
111.08061	23.6
115.03922	20.0
117.07016	3.3
117.19799	2.0
119.03986	2.1
119.08562	10.1
121.06467	10.8
121.10128	33.1
123.08009	15.4
123.11661	16.0
125.05972	10.4
125.09644	12.6
126.54594	2.2
131.08551	5.5
133.04976	8.7
133.06483	2.7
133.10133	10.0
135.08038	8.9
135.11694	2.4
137.05983	13.2
137.09544	3.9
139.07486	2.8
139.11176	36.3
145.10112	10.1
147.11656	5.2
149.09566	9.4
149.13260	23.5
151.11168	12.2
153.09122	2.7
161.09570	2.5
167.14275	38.8
169.12212	9.5
173.13145	2.8
175.06000	13.9
177.05476	3.7
181.12178	38.2
183.75456	2.6
191.14304	9.1
197.53899	2.3
206.06075	2.4
209.15373	19.9
233.15309	4.2
271.87839	2.1
272.43179	2.0
293.47092	2.2
299.96097	2.1
305.17447	4.6
323.18518	10.5
341.19492	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.81372	0.4
55.01863	2.2
55.05507	0.7
55.58758	0.4
56.96547	1.9
62.57977	0.4
62.81329	0.4
67.05486	2.0
69.03407	1.8
69.07040	0.7
71.04974	0.9
79.05478	3.5
81.03376	0.4
81.07023	3.8
85.02880	1.6
85.06487	0.4
87.04472	0.4
87.22985	0.4
91.05460	6.0
92.09026	1.9
93.07005	2.1
94.04163	4.1
95.04951	1.7
95.08594	1.1
97.02839	0.6
98.93147	0.4
98.97571	4.5
100.11249	0.7
103.05432	1.8
105.07021	12.0
107.04941	2.7
107.08575	1.6
109.06504	2.9
109.10164	0.8
111.04414	0.5
115.05422	4.1
116.98615	2.3
117.03333	0.8
117.07016	1.1
119.04884	0.6
119.08556	3.3
121.06474	0.7
121.10100	0.8
122.03625	13.1
128.06227	1.9
129.07016	3.8
130.06508	5.0
131.04897	2.4
131.08553	1.7
132.05682	3.3
133.06474	4.7
133.10095	2.4
137.05960	100.0
141.06969	0.8
142.12245	0.9
143.04915	0.4
144.05708	2.3
145.02882	0.9
145.06454	1.7
145.10118	0.7
146.03606	0.8
147.04440	0.8
147.08069	3.8
149.05943	0.9
155.04889	1.0
156.05611	0.7
157.06462	0.8
159.08047	3.1
159.11658	1.6
160.05211	2.2
161.01274	0.5
161.05952	10.4
166.04968	0.7
167.07007	0.5
171.08069	0.7
172.05167	2.9
174.06679	0.7
175.07523	16.4
177.00757	0.6
177.05397	1.0
179.08516	0.7
184.05188	1.0
187.07532	9.3
189.06937	1.7
189.09023	0.8
190.07730	7.3
191.08521	14.5
191.10123	0.8
192.09183	0.7
199.07513	7.3
201.00687	0.5
202.07741	7.7
203.08533	10.1
203.10332	0.7
205.06537	1.0
207.08012	1.1
208.08865	0.6
211.07510	1.8
217.08646	1.1
218.07288	4.2
219.01793	0.5
219.08009	20.0
220.08763	4.6
227.07080	0.8
231.08046	8.4
232.08839	1.0
233.09515	0.6
235.07526	2.2
235.11256	0.5
236.08208	3.9
237.09088	0.7
240.07820	0.4
246.06686	0.6
247.07487	6.9
248.08235	6.3
249.09039	1.7
251.10619	20.5
253.08496	2.0
255.06433	2.0
259.07446	3.1
260.08240	0.8
261.09079	1.0
263.10547	3.2
264.07745	2.0
265.08594	1.7
270.08823	1.7
271.09671	0.8
275.07001	0.7
275.12320	0.7
276.07770	2.2
277.08591	3.1
279.10101	11.1
280.10764	0.8
281.08179	1.9
283.09564	0.8
291.03979	0.7
291.10059	6.1
292.10941	2.1
293.07748	0.6
295.13226	0.6
295.20401	0.5
296.10297	1.0
308.10455	0.6
311.12698	14.6
323.09500	0.5
323.12793	3.8
323.26645	0.4
327.19345	0.5
340.26007	0.6
341.14044	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	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01878	1.1
55.05512	1.9
56.96563	1.4
57.03416	0.7
67.05496	1.2
69.03412	1.6
69.07062	1.6
71.04996	1.9
79.05471	4.3
81.07047	6.9
85.02889	1.3
85.06507	1.2
85.58778	0.8
91.05446	8.0
92.09276	1.8
93.07049	4.1
94.04193	5.0
95.04926	1.1
95.08559	2.1
97.02857	0.8
98.97574	7.5
103.05462	3.3
105.06998	13.9
105.07520	0.7
107.04951	1.4
107.08601	5.4
109.06532	3.6
109.08044	0.8
109.10149	1.9
115.05436	6.8
116.98662	3.5
117.06989	1.6
119.08573	4.9
121.10124	1.6
122.03621	14.5
128.06232	3.9
129.06990	3.8
130.06517	1.0
131.04893	1.1
131.08546	1.8
132.05659	1.9
133.06471	5.9
133.10072	11.2
137.05951	100.0
137.09619	5.2
142.12219	0.9
143.00214	1.3
143.05336	1.0
143.08487	1.0
145.06487	1.3
145.10124	1.6
147.04396	1.1
147.08049	1.8
147.11716	0.9
149.05983	1.3
149.13252	1.2
151.07518	1.1
159.08078	1.3
159.11653	2.9
160.05177	1.1
161.01285	1.5
161.05956	8.4
165.06949	1.0
167.07112	1.1
172.05171	4.9
174.06786	1.4
175.07507	14.7
177.05498	1.9
179.08524	1.2
187.07501	11.5
189.00766	1.2
189.06917	1.7
189.09128	1.2
190.07761	7.7
191.08540	21.2
191.14255	1.0
199.07513	7.1
201.00673	1.3
202.07811	5.0
203.08499	9.0
205.06590	1.4
205.58882	1.0
207.07907	0.9
208.08768	1.4
211.07582	1.2
217.08588	1.3
218.07281	5.1
219.01704	1.4
219.08000	21.0
219.09923	1.3
220.08829	4.9
227.07053	2.0
231.07944	8.8
232.08879	3.4
235.07370	1.1
236.08354	4.7
247.07462	7.2
248.08270	6.9
249.02834	1.6
249.08888	1.3
251.10599	21.1
253.08566	1.1
255.06464	1.1
259.07565	4.3
260.08292	3.9
263.10587	4.1
264.07809	2.0
265.08401	1.0
270.08914	1.9
271.09784	1.3
276.07764	3.5
277.08469	3.5
279.10056	9.0
280.10938	1.5
281.07938	1.1
291.10126	7.7
292.10962	4.0
295.20428	0.9
305.24701	1.5
311.12741	14.8
323.12720	5.1
341.13885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01878	1.1
55.05512	1.9
56.96563	1.4
57.03416	0.7
67.05496	1.2
69.03412	1.6
69.07062	1.6
71.04996	1.9
79.05471	4.3
81.07047	6.9
85.02889	1.3
85.06507	1.2
85.58778	0.8
91.05446	8.0
92.09276	1.8
93.07049	4.1
94.04193	5.0
95.04926	1.1
95.08559	2.1
97.02857	0.8
98.97574	7.5
103.05462	3.3
105.06998	13.9
105.07520	0.7
107.04951	1.4
107.08601	5.4
109.06532	3.6
109.08044	0.8
109.10149	1.9
115.05436	6.8
116.98662	3.5
117.06989	1.6
119.08573	4.9
121.10124	1.6
122.03621	14.5
128.06232	3.9
129.06990	3.8
130.06517	1.0
131.04893	1.1
131.08546	1.8
132.05659	1.9
133.06471	5.9
133.10072	11.2
137.05951	100.0
137.09619	5.2
142.12219	0.9
143.00214	1.3
143.05336	1.0
143.08487	1.0
145.06487	1.3
145.10124	1.6
147.04396	1.1
147.08049	1.8
147.11716	0.9
149.05983	1.3
149.13252	1.2
151.07518	1.1
159.08078	1.3
159.11653	2.9
160.05177	1.1
161.01285	1.5
161.05956	8.4
165.06949	1.0
167.07112	1.1
172.05171	4.9
174.06786	1.4
175.07507	14.7
177.05498	1.9
179.08524	1.2
187.07501	11.5
189.00766	1.2
189.06917	1.7
189.09128	1.2
190.07761	7.7
191.08540	21.2
191.14255	1.0
199.07513	7.1
201.00673	1.3
202.07811	5.0
203.08499	9.0
205.06590	1.4
205.58882	1.0
207.07907	0.9
208.08768	1.4
211.07582	1.2
217.08588	1.3
218.07281	5.1
219.01704	1.4
219.08000	21.0
219.09923	1.3
220.08829	4.9
227.07053	2.0
231.07944	8.8
232.08879	3.4
235.07370	1.1
236.08354	4.7
247.07462	7.2
248.08270	6.9
249.02834	1.6
249.08888	1.3
251.10599	21.1
253.08566	1.1
255.06464	1.1
259.07565	4.3
260.08292	3.9
263.10587	4.1
264.07809	2.0
265.08401	1.0
270.08914	1.9
271.09784	1.3
276.07764	3.5
277.08469	3.5
279.10056	9.0
280.10938	1.5
281.07938	1.1
291.10126	7.7
292.10962	4.0
295.20428	0.9
305.24701	1.5
311.12741	14.8
323.12720	5.1
341.13885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0864
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.03417	0.2
61.02903	0.3
67.05486	0.2
69.03415	1.4
71.04979	0.2
74.58622	0.2
79.05456	0.2
81.03391	0.7
84.08130	0.2
85.02882	2.2
87.04430	0.3
89.03931	0.2
91.05424	0.2
95.04943	0.4
97.02865	1.1
98.97534	0.3
105.03352	0.3
109.02846	0.3
117.03341	0.3
117.30788	0.2
119.04904	0.2
123.04401	15.3
127.03909	0.2
133.02826	12.9
135.04417	2.6
137.06084	0.2
147.04395	0.3
148.04744	0.2
151.03888	6.1
179.03355	100.0
217.32906	0.2
236.68272	0.1
239.13319	0.2
341.08499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01864	1.5
55.05507	17.5
57.03423	0.6
57.07064	1.3
59.04992	3.0
61.02910	1.4
61.30024	0.3
62.56583	0.3
67.05476	0.5
69.03417	8.7
69.07058	2.6
71.05000	0.4
73.09525	0.3
79.05481	0.5
81.03395	1.5
81.07045	4.7
83.04984	1.3
83.08607	96.8
83.81359	0.3
83.98383	0.3
84.08925	0.4
85.02894	8.0
85.06544	0.4
91.03948	0.4
97.02876	2.2
97.10151	33.5
97.65012	0.3
98.97566	1.8
99.08072	5.3
100.11254	0.3
101.05990	3.9
101.09627	2.8
105.07059	0.3
107.08569	0.8
109.02876	0.7
109.89317	0.3
116.98585	1.4
117.03352	1.3
118.03699	0.8
125.09601	8.9
127.03915	0.5
143.10658	100.0
144.11006	0.5
145.02846	2.5
145.04881	0.5
146.03172	2.7
156.59966	0.3
159.08078	0.3
161.11713	16.5
162.23553	0.3
167.06996	1.4
169.90057	0.3
177.00700	0.5
177.05466	1.7
178.05786	2.2
220.18381	0.3
224.92615	0.3
278.20715	0.3
302.50378	0.3
340.10611	0.4
346.16760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95016	1.2
54.81817	1.4
55.01862	6.0
55.05508	13.9
59.45496	1.4
61.02903	2.1
67.05505	2.7
69.03410	7.8
69.07037	8.0
71.04966	2.4
71.26985	1.4
73.02897	64.1
73.96288	1.3
74.31290	1.5
79.05044	2.5
79.05473	37.4
81.03394	2.9
81.07037	11.9
83.04966	9.1
85.02895	14.8
85.06551	2.1
87.04457	7.3
91.05453	3.0
97.02859	6.8
97.06520	2.6
97.10148	6.0
99.08086	2.5
101.06009	3.5
107.08576	22.2
125.09605	32.9
143.10655	100.0
179.03412	6.6
295.68701	1.5
340.13608	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	340.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66645	0.2
52.81009	0.2
54.81667	0.2
55.05524	0.3
57.03426	0.5
59.50344	0.2
61.02901	0.5
65.26279	0.2
67.05492	0.3
69.03400	0.5
69.07056	8.4
71.04979	2.9
71.87030	0.2
73.06518	0.3
79.05470	1.5
81.03403	0.9
81.07036	2.3
83.04948	0.4
85.02898	1.6
86.09692	100.0
87.04442	0.3
87.10029	0.3
89.74625	0.2
95.04929	0.3
97.02853	0.4
97.06509	4.2
98.74639	0.2
101.06011	0.5
109.02886	0.3
110.97614	0.2
113.05993	5.5
117.02033	0.2
125.05953	1.9
127.03873	0.2
132.04733	0.3
132.10185	31.8
136.06178	1.3
143.07014	14.6
151.04391	1.4
161.08066	9.3
178.05324	0.4
250.08296	0.3
265.06082	0.3
327.63138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92702	1.0
54.91027	1.0
55.01845	1.4
55.05488	8.5
57.03423	13.5
59.80593	1.3
67.05479	6.1
69.03410	15.0
69.07041	1.7
71.01336	91.7
71.04967	5.1
75.39503	1.2
76.39384	1.1
79.05460	6.1
81.03379	2.7
83.01286	1.8
83.04964	70.2
83.64542	1.2
85.02889	100.0
86.09692	2.2
87.04453	2.6
95.04945	11.2
97.02855	5.9
97.06516	17.8
97.23588	1.2
99.04431	7.8
105.03360	1.4
107.04935	2.3
111.04426	30.0
113.02325	9.2
113.05975	5.7
117.01826	12.0
125.05975	5.8
127.03896	5.3
129.05453	3.2
137.02347	1.9
141.01753	3.1
143.06987	11.0
151.03870	2.4
153.05406	1.8
155.98080	1.3
157.04941	31.5
171.06491	65.0
175.05959	16.3
189.07561	15.5
197.04536	1.7
211.76639	1.4
287.07541	5.5
322.11276	2.4
331.61581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
56.45392	0.5
57.50848	0.4
61.02917	0.6
63.08198	0.5
66.35698	0.5
67.05479	1.1
69.03410	0.7
69.07056	9.3
71.04659	0.7
71.04977	10.8
73.06525	5.3
75.13097	0.5
79.05470	8.5
81.07035	8.2
83.04954	3.4
85.02884	4.1
86.09687	100.0
95.04943	1.3
97.02836	0.9
97.06511	24.1
101.05999	1.3
103.03918	2.8
109.89767	0.5
113.05982	22.9
115.07557	1.2
118.96586	0.6
125.05965	18.4
132.09151	0.9
132.10172	34.6
143.07007	69.2
154.74669	0.6
158.39207	0.6
161.08058	41.0
164.06947	0.6
255.34444	0.6
330.87668	0.6
360.76675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	64.8
57.07065	39.1
67.05485	36.9
69.07056	100.0
71.08624	21.5
79.05476	46.3
81.07043	92.4
83.08614	51.2
91.05472	10.5
93.07013	76.0
95.04974	8.9
95.08591	66.6
96.42067	4.2
97.06506	19.0
97.10150	25.8
105.07024	10.5
107.08571	77.9
109.06517	6.6
109.10146	40.0
111.11674	9.9
119.08541	6.4
121.06487	6.7
121.10123	62.8
123.11716	17.0
124.19774	3.9
125.06010	9.7
134.99673	5.5
135.08032	8.7
135.11638	31.2
139.07501	51.5
145.10129	5.6
149.09575	4.5
149.13246	15.8
153.09108	21.5
163.14877	5.9
167.10693	21.6
177.12648	5.0
177.16396	4.1
181.12206	4.7
191.18062	6.3
193.04927	26.3
195.13747	8.2
221.22682	7.7
223.17039	6.0
256.26303	5.3
272.09225	5.9
282.39841	4.7
321.27750	18.1
339.28687	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	339.2889
Annotation	7alpha-Methoxy-8-labdene-3beta,15-diol
Peak:m/z	Relative Intensity
54.19474	4.5
55.05494	22.8
57.07049	7.2
58.90457	4.2
58.90968	4.1
61.38518	4.1
67.05483	22.8
69.07054	38.1
71.04961	18.4
76.56362	4.0
79.05463	7.6
81.06673	5.1
81.07045	84.8
81.50304	3.9
83.08603	23.8
91.05460	4.7
92.08671	10.8
93.07028	39.8
95.08573	59.0
97.10154	5.5
105.47826	3.9
107.08589	39.3
109.10142	44.0
111.08074	6.7
119.08552	7.7
121.10089	17.6
123.08020	6.2
123.11700	21.2
125.09599	5.9
133.10078	6.5
135.11676	7.0
147.11642	7.7
149.13202	10.5
151.11154	6.8
152.79128	4.8
163.14804	8.9
163.89667	4.2
167.26007	4.7
174.88054	4.7
293.28415	19.7
303.26843	17.6
321.27789	100.0
327.92398	5.5
339.28738	23.9
364.28720	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	339.2316
Annotation	nor-Plakotenin
Peak:m/z	Relative Intensity
52.52186	1.5
55.05493	4.2
56.96542	3.6
57.24598	1.4
67.05486	12.3
69.07043	7.5
73.15960	1.7
79.05476	17.3
81.07032	23.1
83.08580	2.2
91.05449	14.6
92.09065	3.5
93.07018	24.8
95.08565	22.8
98.97559	47.3
105.07002	27.9
107.08569	23.0
109.10133	9.2
116.98592	39.6
117.06998	8.8
119.08572	16.8
121.10114	4.0
129.06976	9.9
131.08505	20.5
133.10054	15.5
134.99638	19.9
135.11690	9.4
142.07747	2.6
143.08490	17.0
145.10118	20.1
147.11682	3.6
149.13266	7.4
149.81786	1.8
153.00745	2.8
155.08553	9.3
157.10063	15.9
159.11642	17.5
161.13222	3.6
167.08493	2.0
168.09210	2.4
169.10094	12.3
171.11580	14.9
173.13217	3.7
175.14784	2.9
177.09050	2.2
181.10086	7.0
183.11632	16.5
185.13217	16.4
186.14044	2.2
187.14653	4.2
190.95383	2.3
195.11644	7.2
197.13179	12.8
199.14725	7.8
201.16403	2.2
209.13173	7.3
211.14824	6.9
213.16167	2.7
223.14749	11.3
225.16246	3.8
229.12225	2.3
237.16356	3.9
239.17906	2.6
245.15424	1.9
251.17905	3.1
253.19481	4.1
257.15222	2.2
265.19424	1.8
274.97446	30.0
277.19440	3.7
279.21017	39.2
283.16833	3.0
292.98447	27.8
293.22635	11.9
297.18384	3.5
321.22144	6.4
339.18958	3.7
339.23090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2313
Annotation	nor-Plakotenin
Peak:m/z	Relative Intensity
53.03930	0.8
55.05495	5.5
58.54071	0.9
59.87052	1.0
60.30920	1.1
63.05045	1.0
64.33480	0.9
67.05185	1.2
67.05499	17.4
69.07039	4.3
79.05475	24.2
81.07038	32.9
83.04960	1.2
83.08597	6.6
91.05467	22.3
93.07024	34.0
95.04927	4.9
95.08585	23.8
99.16236	1.1
105.06352	2.0
105.07011	35.1
107.04939	2.6
107.08580	25.6
109.10149	12.3
111.04404	1.0
115.05367	1.3
117.06995	9.7
119.08553	18.9
121.10125	11.9
123.11566	1.2
127.02859	1.2
128.06201	2.4
129.06992	9.9
131.08557	18.9
133.10114	20.6
135.08102	1.0
135.11676	30.7
139.07605	1.4
141.06953	5.7
142.07677	2.3
143.08539	17.8
144.09392	1.7
145.10098	23.5
147.11684	10.3
149.05946	2.4
149.13344	2.4
153.06920	1.2
155.08505	7.6
157.10147	12.3
159.07994	1.6
159.11658	24.9
161.09689	1.2
161.13199	10.5
163.07553	1.1
169.10127	9.3
170.57777	1.0
171.08156	1.1
171.11661	8.8
173.13225	6.5
175.14807	1.7
177.09097	1.9
181.10068	2.2
183.11638	9.9
185.09537	2.1
185.13220	15.6
187.11116	5.9
187.14786	10.3
189.09172	1.9
191.10638	1.3
195.11661	4.0
197.13188	8.6
199.14798	7.2
201.16371	4.4
203.10632	4.3
205.12146	6.7
209.13234	4.5
211.11279	1.1
211.14833	8.4
213.12762	1.4
213.16307	4.5
214.16884	1.2
215.17967	4.4
221.13290	1.2
223.14784	5.1
225.16470	2.4
229.12173	2.6
231.13768	5.6
237.16298	7.4
239.14243	1.8
243.13805	4.0
245.15381	1.5
251.17900	2.0
253.15685	1.6
257.15262	6.8
265.15891	1.6
265.19479	2.4
271.16785	1.5
277.19553	2.0
279.21149	8.4
283.16876	2.6
293.22516	18.5
302.25085	1.0
303.20953	1.9
321.22092	21.4
339.23120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79652	0.5
55.05503	9.7
57.03413	0.8
57.07058	3.8
59.04983	1.6
60.26661	0.6
61.02921	1.0
67.05494	38.0
67.05849	1.3
69.03415	3.1
69.07054	3.9
70.58714	0.6
71.04977	98.7
71.08619	1.0
79.05483	1.6
81.03400	1.2
81.07038	100.0
82.07390	0.9
83.04965	1.2
83.08610	3.1
85.02895	10.1
85.06531	17.7
93.07077	0.7
95.08587	13.8
96.08936	3.2
97.02886	2.8
97.10168	1.3
99.08090	3.6
101.32499	0.6
109.02866	0.7
122.05994	3.5
123.08076	3.0
123.11687	20.5
124.08368	1.2
141.09109	3.4
141.12723	76.3
142.09465	3.8
145.02840	1.1
147.04408	1.4
150.05508	1.4
154.08667	0.8
159.10139	3.8
159.13770	29.3
159.15021	1.2
160.10474	3.0
177.05495	0.9
177.14827	21.3
232.86954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49650	0.4
53.03916	0.6
55.01872	0.6
55.05505	11.9
57.03424	1.4
57.07068	4.5
59.05000	1.2
61.02921	0.6
65.03942	0.5
65.61762	0.3
67.05494	39.0
69.03419	4.4
69.07056	4.3
71.04977	46.8
71.08614	1.8
73.06542	0.4
79.05474	5.5
81.03401	1.5
81.07040	100.0
83.04958	0.4
83.08598	3.0
85.02890	7.6
85.06529	15.7
89.03915	1.7
91.05460	0.6
94.06541	0.4
95.08586	11.3
96.08877	0.5
97.02887	2.1
97.10153	2.8
98.06033	0.6
99.08086	4.1
101.05979	0.6
105.03429	0.6
105.07001	0.5
109.02865	0.7
109.59028	0.3
112.68660	0.3
113.09643	0.4
116.98604	0.5
117.03365	6.0
118.06525	0.7
119.04903	0.5
121.10147	0.5
122.06014	2.7
123.11690	17.5
124.07581	0.6
127.03913	0.8
132.08054	0.4
133.02785	0.4
136.07544	4.2
136.25890	0.3
137.05899	0.4
138.05487	0.7
138.09155	0.5
140.07037	1.6
141.09085	2.0
141.12724	60.7
142.09575	0.4
145.02832	12.3
147.04379	3.5
149.02403	0.5
149.05992	2.3
149.84955	0.4
150.05414	0.5
154.08667	0.5
159.10188	0.5
159.12451	0.8
159.13771	21.3
160.07565	1.5
164.07028	3.7
177.05438	15.8
177.14835	15.6
180.06592	1.5
182.08116	0.8
203.03421	3.3
207.11235	0.8
229.61067	0.4
304.11902	0.5
321.14340	1.7
339.10638	0.5
339.15399	0.7
339.26489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.8
55.05500	9.9
57.07060	4.4
59.04980	1.7
67.05140	1.3
67.05488	36.1
69.03413	1.8
69.07047	4.1
71.04974	49.2
71.08614	1.0
77.40666	0.7
79.05460	4.1
81.07036	100.0
83.08595	3.2
85.02867	5.5
85.06526	16.7
89.27047	0.7
95.08598	9.1
96.32821	0.7
97.02880	1.3
97.10142	3.0
99.08063	5.7
117.03378	0.9
122.05995	0.9
123.11671	18.6
141.12720	69.8
145.02858	3.5
147.04442	0.9
159.12460	1.2
159.13763	29.2
177.05453	4.1
177.14825	16.5
186.12537	0.8
188.84763	0.8
190.37952	0.7
197.23152	0.8
314.52332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98595	1.3
53.79051	1.3
53.81530	1.3
53.98563	1.2
56.96549	7.5
57.09910	1.3
62.98229	7.7
66.98013	1.4
67.05487	2.0
69.07029	2.9
70.21711	1.6
71.03928	1.4
79.05457	1.6
81.07034	3.5
95.08588	3.0
98.97565	27.9
107.08540	2.1
109.10153	2.3
116.98597	26.0
121.10111	3.0
134.99602	12.9
135.11615	2.0
147.04312	1.6
165.41972	1.6
171.72845	1.7
232.96422	2.1
274.97531	20.6
292.98471	23.5
321.18082	7.6
339.19009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.155
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
56.60238	0.5
56.96542	0.7
63.25968	0.7
67.05480	0.8
69.07031	0.6
81.07027	1.4
81.20866	0.5
83.04935	0.6
85.02867	1.4
85.06482	0.5
91.05392	0.9
93.06998	0.5
95.08571	2.5
97.02891	0.8
97.06519	0.8
98.97530	1.0
109.02888	0.6
114.27280	0.6
115.07523	0.8
119.04923	0.9
120.80994	0.6
123.08064	1.0
127.03883	0.7
134.99632	1.1
141.05495	1.0
141.09103	1.4
145.03052	0.8
147.04373	6.4
155.08450	0.6
159.10150	1.3
161.10626	1.1
173.10667	1.0
174.11536	0.6
176.09358	0.7
177.05397	0.8
187.08620	0.7
187.12294	2.9
188.13022	1.1
189.10132	2.6
194.10484	0.9
196.37778	0.7
200.09375	5.3
201.10172	5.8
202.10919	1.0
203.11771	0.9
207.11238	25.5
213.10211	0.7
214.10924	4.0
215.08305	1.0
215.11702	6.1
216.12437	4.2
218.10458	3.4
219.11284	8.8
220.11975	5.1
221.12808	2.2
229.09682	2.9
229.13339	15.5
232.12041	0.8
233.09119	3.1
233.12784	7.0
234.13545	2.7
244.12032	0.8
247.10687	3.4
247.14365	13.9
248.11526	0.9
257.12784	19.4
262.13058	0.9
265.11633	2.6
274.97415	1.0
275.13834	20.2
277.15292	2.3
285.12320	4.7
286.10205	0.7
292.98401	1.0
293.14880	11.3
303.13318	25.7
321.14374	61.8
339.15427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03931	1.1
62.32243	0.5
65.03919	0.8
69.03413	3.2
74.63940	0.5
81.03381	6.8
83.04960	0.9
84.49567	0.5
85.02890	2.9
86.09637	0.6
89.03887	6.3
91.05456	18.0
91.06004	1.0
92.08636	1.0
97.02892	1.1
103.27454	0.6
109.02877	2.0
117.03362	25.2
119.04919	47.3
131.13860	0.5
134.03578	0.8
135.04430	1.1
145.02832	48.9
147.04393	100.0
149.05968	8.4
177.05437	45.9
195.06529	0.9
257.77188	0.6
284.85956	0.6
321.09601	6.0
339.10574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.46203	0.2
65.03899	0.8
67.05477	0.4
69.03379	0.3
70.62305	0.3
81.07029	0.5
83.04954	1.1
85.02895	0.3
91.05459	11.5
92.09293	0.3
93.72568	0.2
97.02865	0.3
117.03345	1.9
119.04915	33.6
145.02838	4.3
147.04382	100.0
148.04736	0.4
149.05875	0.4
165.05363	0.4
177.05411	5.4
257.17679	0.3
291.32874	0.3
360.06833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
53.00311	0.1
55.05504	0.8
56.05829	0.2
57.03427	0.2
65.03912	1.0
67.05482	0.8
69.03439	0.4
69.07047	0.6
71.04966	0.2
81.07041	0.6
82.04241	0.1
83.04965	1.3
85.02904	0.6
91.05460	11.2
92.08614	0.1
93.03407	0.1
95.04934	0.2
95.08568	1.2
96.08927	0.4
97.02906	0.1
97.10123	0.4
111.04433	0.6
113.09629	0.5
114.09890	0.1
117.03358	0.5
119.04916	36.4
120.05267	0.1
123.11683	0.2
136.07619	0.1
141.09084	1.7
141.12750	0.1
142.09448	0.9
145.02818	1.0
147.04387	100.0
148.04710	0.7
149.05981	0.2
159.10197	0.7
160.10532	0.2
165.05423	0.6
177.05402	1.1
245.12364	0.1
272.57700	0.1
280.08780	0.1
295.92120	0.1
321.09592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	2.2
53.38569	0.3
54.81942	0.4
55.01880	0.4
57.03429	1.9
61.02921	0.4
63.02356	0.4
69.03418	5.7
69.11119	0.3
72.28127	0.4
73.02888	0.6
78.04687	0.6
81.03398	13.7
81.07021	0.5
83.09315	0.4
85.02889	4.2
85.66402	0.4
89.03896	12.7
91.05457	1.7
97.02879	2.2
98.97569	1.8
99.04437	0.9
101.02390	0.5
106.04156	1.4
109.02863	3.6
117.03355	43.6
122.06017	1.8
126.71374	0.4
127.03828	0.6
134.03615	4.3
135.04364	3.4
137.05907	0.5
140.50925	0.5
141.09103	0.5
145.02823	94.8
147.04375	1.0
149.05962	16.5
150.05493	0.4
163.03897	1.9
177.05426	100.0
180.06493	1.6
195.06467	2.4
321.09631	9.9
339.10620	3.3
350.31131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.05508	0.4
59.04982	0.3
65.03926	1.0
67.05488	1.1
69.03410	0.3
69.07051	2.0
70.07388	0.2
72.08138	0.3
75.00829	0.2
79.05475	0.3
81.03446	0.3
81.07032	3.2
82.07388	0.3
83.04966	0.5
85.02895	1.0
85.06541	1.1
87.04455	0.3
91.05456	14.8
92.08969	0.3
93.03336	0.2
95.04953	0.5
95.08593	4.2
96.08908	1.0
97.06510	1.8
98.06837	0.2
98.97546	0.5
99.08084	1.2
107.04883	0.2
110.06035	0.3
113.09679	0.4
114.21669	0.2
115.07537	2.9
116.07867	0.4
116.98592	0.9
117.03320	0.2
119.04914	42.1
123.08013	2.4
123.11666	0.3
124.08345	0.3
134.05991	0.2
136.07587	2.9
137.07884	0.9
141.09087	4.4
141.12698	0.5
142.09451	0.9
145.02821	1.2
147.04384	100.0
152.07062	0.4
159.10143	2.4
159.13800	0.4
160.10501	0.4
164.07016	0.5
177.05458	1.0
177.14851	0.2
194.09938	0.3
321.14313	0.5
325.84500	0.2
331.20874	0.2
341.19888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.02373	0.4
53.03922	2.4
55.01852	0.7
55.05492	1.2
57.03419	2.0
58.00049	0.5
61.23238	0.5
67.05482	2.6
69.03410	6.9
69.07047	1.1
71.04957	1.1
72.66742	0.5
73.02893	0.5
79.05463	2.5
81.03392	18.6
81.07040	3.7
82.05252	0.6
85.02885	5.3
85.38792	0.5
89.03896	16.4
91.05447	2.4
93.07011	2.4
95.04932	1.2
95.08580	2.7
97.02874	3.6
98.97552	3.4
99.04391	1.1
105.07039	1.8
107.08566	2.4
109.02856	4.3
109.10153	2.2
116.98590	2.9
117.03351	45.6
119.08562	1.1
121.10091	0.8
127.03914	0.7
131.08531	0.9
133.10110	0.7
134.03630	3.9
134.99629	1.2
135.04391	4.9
137.09557	0.8
145.02820	98.5
145.10037	0.7
147.04332	1.7
147.11639	0.6
149.05948	17.9
163.03833	1.2
177.05424	100.0
186.05505	0.9
195.06520	2.0
234.23259	0.6
261.61386	0.5
274.97452	2.5
292.98511	2.9
310.82098	0.5
321.09595	11.9
321.24011	0.6
338.67319	0.5
339.10651	1.2
339.23029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.98106	0.5
53.03926	2.3
54.34016	0.5
54.40298	0.5
55.05497	2.8
56.96550	3.3
57.03416	2.4
57.07067	0.7
61.02903	0.6
67.05479	2.5
69.03415	12.6
69.07048	4.0
70.87780	0.6
71.04964	1.1
71.43058	0.7
78.04696	0.5
79.05486	2.7
81.03395	14.5
81.07043	6.1
83.08602	1.2
85.02897	7.3
87.04438	1.1
89.03899	11.9
91.05442	2.6
93.07018	2.9
95.08577	3.5
97.02856	5.1
97.06481	0.5
98.97572	12.4
99.04413	2.2
105.07003	2.2
106.04148	0.8
106.29362	0.5
107.08574	2.2
109.02863	3.4
109.10139	2.7
115.03905	1.1
116.98596	10.1
117.03358	45.1
119.08518	2.2
121.10102	1.3
123.11687	0.6
127.03863	1.1
129.07005	0.5
134.03616	3.6
134.99644	4.5
135.04401	3.2
145.02829	89.6
145.10078	0.8
147.11678	1.0
149.05954	15.4
157.10104	0.6
158.99519	1.0
161.01187	0.9
163.03845	1.9
175.42148	0.6
177.05432	100.0
186.05467	0.8
194.31961	0.7
195.06523	1.1
195.38625	0.6
201.00549	0.7
266.43579	0.7
274.97479	6.3
292.98468	4.3
321.09644	12.9
339.10596	2.8
339.17557	2.1
339.23212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12765	0.5
53.03937	0.6
54.18847	0.6
55.05504	35.0
57.03416	4.6
61.02920	0.8
67.05488	6.0
69.03399	4.1
69.07053	27.6
71.04977	1.8
72.28817	0.6
81.03385	3.2
81.07031	8.0
83.04964	20.2
83.08610	1.0
85.02889	7.6
89.02093	0.7
91.05468	0.9
93.07034	1.6
95.08582	63.3
97.02861	1.1
97.06506	5.0
97.10152	15.4
99.04442	3.3
99.08087	1.5
105.68086	0.7
109.02848	0.8
113.09633	21.7
117.03342	6.3
123.08040	14.6
127.03899	1.1
141.09082	100.0
145.02823	10.8
149.05960	1.8
159.10143	49.3
177.05417	11.7
190.71378	0.8
262.30893	0.8
317.95267	0.7
321.09576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79467	0.5
54.81436	0.7
55.01860	0.8
55.05508	12.5
57.03423	2.6
60.68575	0.6
61.02913	1.0
67.05493	10.8
69.03422	2.5
69.07053	18.6
71.04982	3.9
79.05477	2.7
81.03388	1.2
81.07040	33.3
83.04966	24.2
83.05428	1.1
83.08606	25.3
84.51482	0.5
85.02893	11.4
85.06544	1.1
87.08108	3.0
88.11380	0.7
93.07018	3.8
95.08588	100.0
96.08942	0.9
97.02853	1.3
97.06512	8.1
97.10182	0.7
99.04424	1.4
99.08069	25.8
105.07009	2.5
111.08067	9.8
113.09648	4.4
115.07574	2.9
123.07146	1.2
123.08051	39.9
129.09099	23.0
141.09084	85.6
141.12758	2.4
159.10144	77.1
172.04930	0.6
177.14816	0.6
178.94838	0.7
205.40504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07324	0.5
51.92488	0.4
52.58945	0.5
54.81027	0.8
55.01865	0.6
55.05496	1.3
57.07061	4.1
58.44559	0.5
58.95778	0.5
59.04990	2.4
61.02904	1.1
63.42744	0.5
67.05476	1.3
69.03418	0.8
69.07051	50.4
71.04967	2.7
73.02901	0.6
73.06535	5.3
79.05467	1.0
81.07030	9.1
83.04980	0.7
83.08586	0.7
85.02890	10.6
85.06512	3.3
87.04442	0.9
93.07019	1.2
95.04935	0.9
95.08575	17.1
97.02866	4.0
97.06500	45.0
98.90659	0.7
98.97566	0.9
99.04443	3.3
99.08035	2.3
105.07017	2.5
109.06517	1.0
110.41513	0.6
113.05980	0.7
115.07542	100.0
123.08043	9.9
127.03911	1.3
127.07530	8.5
141.05501	0.9
141.09082	21.6
142.48454	0.6
145.08585	6.6
154.31351	0.6
159.10138	34.6
216.79678	0.7
278.45352	0.6
289.22162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79000	0.3
53.03939	0.6
55.01854	0.7
55.05504	30.5
57.03216	0.3
57.03428	5.7
58.70058	0.4
59.81513	0.5
61.02911	0.5
67.05501	4.3
69.03412	3.0
69.07054	24.3
71.04972	4.0
71.06538	0.4
81.03409	1.8
81.07030	2.6
82.06551	0.5
82.50150	0.4
83.04967	16.8
83.08583	0.9
85.02891	7.0
85.10155	0.5
91.05460	7.5
93.07013	2.8
95.08583	48.3
97.02854	2.6
97.06516	2.0
97.10149	15.0
99.04424	2.1
99.08096	0.6
104.54263	0.5
105.03408	0.5
105.06998	0.8
111.08115	0.6
113.09623	21.1
117.03241	0.5
119.04916	22.7
121.00036	0.4
123.08033	8.3
127.03867	0.9
127.69986	0.5
136.07515	0.5
138.82408	0.4
141.09082	100.0
142.08601	2.8
145.02818	2.8
145.10542	0.6
147.04388	63.1
159.10139	37.6
177.05394	1.7
274.10629	0.5
320.11182	0.8
322.97995	0.5
342.51974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23887	0.3
52.71735	0.3
53.03948	2.7
53.32700	0.3
54.81893	0.3
55.01869	3.5
55.05493	0.5
57.03432	6.3
61.02912	11.2
67.05482	4.2
69.03413	21.9
69.07049	5.5
71.04983	2.7
73.02896	5.6
75.67064	0.3
78.70042	0.3
79.05493	0.4
80.86277	0.4
81.03400	13.1
81.07031	0.5
83.01301	0.7
83.04946	0.4
83.08582	0.4
84.08131	7.2
85.02887	100.0
87.04453	2.3
89.03908	0.3
91.03934	5.2
93.07022	0.5
95.04968	0.5
95.08582	54.9
97.02867	25.3
98.97579	0.6
99.04436	5.1
101.02366	0.8
109.02860	7.4
111.08032	0.4
113.09624	39.9
115.03924	0.4
117.03373	1.9
119.04963	0.4
120.66850	0.4
127.03883	14.9
131.08585	0.4
144.10205	1.8
145.02873	5.4
145.04932	18.5
145.06082	0.7
149.05930	0.7
159.10133	4.9
162.11230	0.6
163.05954	3.0
177.05391	5.5
179.56635	0.4
193.12178	1.4
209.88229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58430	0.1
51.99905	0.1
55.01855	0.1
55.05493	0.4
56.05022	1.7
57.03424	0.5
58.06580	0.1
59.04968	0.1
61.02913	0.5
61.84048	0.1
67.05493	0.6
69.03419	1.4
69.07058	0.1
70.06572	0.5
71.04975	0.2
72.08130	0.5
73.02901	0.2
81.00085	0.1
81.03409	0.6
84.02205	0.1
84.04498	0.5
84.08125	87.8
85.02886	2.8
85.08448	0.1
86.09648	0.1
87.04460	0.2
95.08610	0.5
97.02882	1.2
98.06010	0.1
98.97568	0.6
99.04398	0.2
109.02839	0.4
112.07616	0.1
112.11224	4.1
112.12014	0.2
115.03905	0.1
116.98624	0.2
117.15592	0.1
126.71479	0.1
127.03922	0.2
130.08615	100.0
130.12248	7.5
131.08987	0.5
136.06154	0.5
145.04932	0.1
149.02742	0.1
151.75674	0.1
158.08136	0.1
158.11772	0.7
158.99706	0.2
176.12790	5.9
177.00659	0.2
231.21980	0.1
234.05701	0.2
260.19632	0.1
338.17725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2158
Annotation	fluoxymesterone
Peak:m/z	Relative Intensity
53.46651	0.9
55.05504	5.7
59.51815	0.8
67.05489	10.4
69.07051	4.4
77.84328	0.9
79.05467	11.1
81.07029	18.5
83.08603	2.6
91.05465	19.6
92.09299	1.2
92.47657	0.9
93.07022	15.4
95.04945	1.9
95.08566	14.3
105.07008	35.7
107.08575	13.4
107.29816	1.0
109.06491	2.5
109.10143	6.6
115.05408	1.6
117.06992	12.5
119.08561	16.5
121.06473	1.2
121.10074	1.3
126.16248	1.2
128.06192	4.2
129.06996	8.9
130.07794	1.9
131.08548	22.0
133.10100	9.8
135.11667	3.9
141.06963	6.9
141.47878	1.2
142.07722	2.6
143.08556	17.9
144.09309	1.7
145.10094	17.5
147.08061	1.2
147.11681	6.4
153.06943	1.2
154.07727	1.5
155.08525	12.1
156.09288	1.4
157.10100	15.0
159.11639	23.0
161.13223	4.0
165.07048	2.4
166.07822	1.3
167.08501	5.5
168.09334	2.4
169.10077	10.7
170.10889	1.3
171.11694	5.6
173.13142	2.4
175.07516	1.7
175.14630	1.3
179.08418	2.1
181.10091	11.5
182.10887	1.6
183.11642	12.0
185.09602	1.5
185.13177	9.8
187.07509	1.2
189.09068	2.3
193.10095	5.5
194.10774	1.5
195.11644	15.6
197.13219	8.2
199.14833	6.5
200.15697	1.8
207.11708	2.1
209.13237	7.7
211.11182	1.2
211.14830	4.0
213.16347	1.7
215.10744	1.4
220.12498	1.3
221.13322	7.6
223.14749	6.1
227.10608	4.3
229.12189	2.5
233.13132	1.8
235.14738	10.7
237.16367	1.6
239.10527	1.2
241.12131	4.7
243.13788	1.2
249.16331	5.5
251.17940	2.0
253.19489	1.2
255.13744	5.0
261.16391	1.3
263.17978	1.6
277.19418	6.6
281.15399	2.1
291.20999	9.5
293.22690	1.9
309.22076	4.9
319.20535	12.5
337.21542	100.0
338.22214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
53.44911	1.1
55.01865	1.9
55.05496	6.8
65.03905	2.0
66.05638	1.2
66.14510	1.1
67.05485	17.9
69.03419	12.5
71.04960	2.5
76.08511	1.3
77.11302	1.1
79.05472	20.7
79.22098	1.4
81.07040	21.3
83.04964	2.2
85.06547	1.9
91.05459	34.7
93.07014	26.6
95.04944	12.0
95.08575	11.4
95.78214	1.3
97.06498	1.9
97.10959	1.3
102.96927	2.4
103.05428	1.4
104.98475	2.0
105.07013	81.1
107.04969	1.4
107.08578	28.2
109.06500	3.4
109.10122	1.8
113.05986	18.4
114.06261	1.4
115.05460	6.0
116.98463	5.3
117.06994	34.1
119.08556	26.4
121.06476	5.5
121.10123	8.4
124.76918	1.4
128.06212	6.5
129.06993	18.6
130.07747	14.3
131.00005	3.1
131.08542	45.1
133.06479	2.5
133.10100	17.7
135.08011	3.0
135.11688	5.3
137.09547	1.5
141.06976	3.2
142.07730	6.3
143.08549	26.8
144.09305	2.0
145.06485	6.3
145.10101	94.3
147.08003	6.5
147.11684	13.7
149.09573	2.6
153.06871	1.6
155.08531	12.2
157.10133	19.6
158.07257	2.7
159.08014	7.6
159.11658	27.0
161.01041	1.7
161.09564	13.5
161.13161	2.1
163.07549	1.6
163.11057	2.2
165.06984	1.6
165.09067	1.4
167.08440	2.5
169.10065	9.5
171.11629	9.7
173.09590	50.2
173.13239	5.2
175.11140	11.3
177.12747	2.0
179.08481	1.6
180.09241	1.7
181.10118	7.3
182.10799	2.6
183.11685	10.5
185.09584	2.9
185.13268	5.9
187.11212	3.3
189.00505	2.1
189.09070	2.0
191.14316	6.1
195.11685	7.7
197.13211	6.6
199.02617	1.4
199.11148	2.1
199.14792	2.3
201.12805	1.7
207.11713	2.6
209.13264	2.6
211.11145	3.2
215.10612	2.8
221.13184	2.9
224.10680	2.7
225.12711	1.5
229.12160	3.4
235.14830	2.9
249.16568	1.4
253.03528	1.8
255.13564	2.3
263.14450	1.6
277.16156	1.3
277.19461	7.1
291.21048	7.4
301.19424	2.5
309.22241	3.3
319.20541	18.2
337.21539	100.0
355.22687	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	337.2156
Annotation	fluoxymesterone
Peak:m/z	Relative Intensity
50.98198	0.9
55.05497	6.2
60.48445	0.9
67.05494	13.1
69.03408	1.3
69.07054	2.2
79.05477	12.5
81.07030	16.2
83.08604	5.4
83.96983	1.1
91.05462	25.1
93.06480	1.5
93.07021	21.7
95.04922	4.3
95.08595	11.2
97.06493	1.1
103.05444	0.9
105.07017	31.2
107.08583	15.4
109.06499	1.2
109.10133	6.8
115.05443	1.8
116.06165	1.6
117.06998	13.3
119.08543	17.7
119.42905	0.9
121.06487	2.0
121.10127	5.1
128.06204	5.4
129.06990	12.1
131.08542	21.2
133.10130	10.0
135.08116	1.4
135.11729	4.7
137.05978	1.5
139.07600	0.9
141.06963	4.7
142.07773	6.0
143.08539	16.0
145.10095	16.6
147.08003	1.5
147.11665	7.3
153.06915	1.1
154.07683	3.5
155.08519	12.3
157.10109	14.0
159.07970	1.3
159.11684	13.3
161.13223	5.4
163.07518	1.0
166.07750	4.2
167.08543	6.2
168.09273	2.3
169.10115	11.1
171.08073	1.3
171.11678	8.4
173.13283	2.2
175.07491	8.2
177.09132	1.5
179.08534	3.8
180.09410	1.7
181.10114	10.7
183.08006	1.0
183.11691	11.9
185.09727	1.0
185.13255	7.8
187.07494	1.3
189.09044	1.5
192.09308	1.2
193.10094	1.4
195.11597	10.3
197.13254	5.0
199.11131	1.5
199.14818	4.6
203.10684	1.2
205.10123	1.0
207.11639	1.5
209.09596	2.1
209.13246	7.4
211.11093	1.5
211.14723	4.2
213.09117	1.3
213.16411	1.6
219.11597	1.5
220.12482	1.2
221.13223	4.1
223.11372	1.0
223.14688	1.7
225.16338	1.3
227.10582	9.1
229.12219	2.2
233.13292	2.2
235.14761	4.8
237.16364	1.8
241.12128	2.0
243.13739	1.6
249.16394	1.9
251.18059	1.5
255.13753	5.3
263.14273	1.6
263.17789	1.5
269.15424	1.1
277.19446	5.5
281.15158	1.1
291.20905	10.3
293.22461	1.4
307.53091	1.2
307.86914	1.1
309.22031	4.0
319.20490	7.6
337.21564	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	337.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81747	0.7
55.01865	1.1
55.05490	3.7
59.64801	0.8
67.05489	10.2
69.07080	1.3
70.72633	0.9
75.57014	0.8
78.82803	0.9
79.05479	10.3
81.06671	0.9
81.07043	16.3
81.10144	1.0
82.87572	0.8
83.08604	1.6
91.05461	17.7
93.07026	14.2
95.04964	1.2
95.08582	12.1
105.07009	31.4
107.08595	9.9
109.10153	6.1
115.05394	1.1
117.07007	9.3
119.04929	1.1
119.08558	13.7
121.06487	1.5
121.10118	4.5
128.06192	3.4
129.06970	10.9
130.07755	1.1
131.08533	21.7
133.10118	8.8
135.11685	1.7
135.29733	1.0
139.07475	0.9
141.06952	6.4
142.07774	4.5
143.08553	16.4
144.09312	1.6
145.06554	1.0
145.10103	16.8
147.08081	0.9
147.11659	6.5
149.13252	1.3
150.09982	0.8
153.06943	1.2
155.08530	7.9
156.09291	1.3
157.06473	1.1
157.10089	15.0
159.11665	20.1
161.13257	3.3
165.07034	1.3
167.08546	5.1
167.63673	0.8
168.09343	3.3
169.10126	7.9
170.10947	1.2
171.11626	7.3
173.13234	3.5
175.07538	1.7
179.08484	0.9
180.09309	1.3
181.10039	7.7
182.10867	1.0
183.11664	10.7
185.09651	0.9
185.13174	8.6
187.07530	0.9
187.14807	1.3
189.09129	1.1
193.10054	4.8
194.10779	1.1
195.11682	11.5
197.09624	1.2
197.13210	8.6
199.14803	5.8
200.15530	0.9
203.10774	1.2
205.10074	1.0
207.11710	4.4
209.09576	1.9
209.13181	6.5
211.11098	1.6
211.14734	3.2
213.09094	0.9
213.16389	1.7
219.11720	1.3
221.13194	6.7
223.11067	1.3
223.14804	2.0
225.16385	2.0
227.10625	4.0
229.12151	4.3
235.14705	8.5
237.12715	1.2
237.16328	3.2
241.12218	3.7
243.13776	1.1
249.16336	5.1
251.14371	1.1
251.17847	2.1
253.19305	1.4
255.13765	3.8
263.17862	3.8
267.13669	1.5
269.15295	1.1
277.19528	8.7
281.15201	4.2
291.21005	10.9
301.19727	1.0
309.18478	1.1
309.22055	1.3
319.20541	9.1
337.21539	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	337.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53122	1.7
55.05479	1.7
56.96554	2.5
67.05480	2.2
81.07000	2.5
86.11790	1.7
89.80520	1.9
93.06966	2.5
104.09496	1.9
105.06999	4.3
116.98568	4.7
128.85020	1.8
133.10194	2.0
144.47136	1.7
149.02281	3.0
159.11639	2.0
183.11601	1.8
193.04980	2.7
303.45041	2.0
316.46414	2.0
336.29709	2.8
337.19693	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	337.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48205	1.1
51.69173	1.2
54.62650	1.5
55.05482	2.2
56.96540	2.9
62.58545	1.3
67.05489	1.3
69.07051	2.3
70.74528	1.2
70.83588	1.2
71.00565	1.2
72.64752	1.4
76.03416	1.2
81.07033	2.0
93.06990	1.7
97.85305	1.5
98.97539	3.0
116.98550	1.7
133.10088	2.1
142.13789	1.5
144.18236	1.4
216.70758	1.5
314.16296	2.1
337.19714	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	337.1745
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
51.85361	2.3
55.05518	4.7
56.96555	19.4
59.73773	2.5
61.52719	2.6
62.06997	3.0
67.05500	16.4
69.07063	5.9
69.73997	3.0
79.05481	3.5
79.81809	3.2
81.07050	21.8
93.07053	5.3
93.95994	3.4
95.08597	18.9
104.92494	3.4
118.82444	3.0
121.10204	4.6
209.32115	3.2
314.63364	3.5
337.17444	100.0
337.21457	5.4
337.27267	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	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30956	2.9
83.06092	47.7
84.08132	5.7
93.50198	3.2
94.88047	3.0
112.49274	2.7
112.73147	3.5
129.06573	46.5
130.08624	6.6
133.03513	3.6
189.06815	3.4
337.08789	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	337.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48690	1.3
54.81625	1.8
55.01861	2.3
55.05507	13.7
55.57496	1.2
57.03414	5.8
59.72811	1.4
61.02907	3.3
67.05487	2.7
69.03404	10.1
69.07051	79.1
71.04964	7.9
73.06535	1.5
74.50647	1.3
79.05459	3.4
81.03379	2.9
81.07034	2.4
83.04982	1.9
83.08601	31.0
85.02881	20.1
85.06542	2.0
87.08046	2.0
91.05424	2.3
93.07023	31.1
95.04930	2.2
97.02872	11.8
97.06509	100.0
98.97542	2.0
109.02891	2.1
109.06451	2.4
111.08063	75.0
112.07581	6.1
115.07568	7.4
120.08071	2.6
121.06507	3.1
125.20412	1.5
127.03926	3.2
127.07513	6.1
131.07031	2.2
137.05981	3.4
139.07513	64.6
140.07024	19.7
140.07965	2.5
145.45757	1.5
157.08574	92.2
158.08109	24.8
166.08644	1.7
173.06358	1.6
175.09612	19.6
182.08028	2.5
218.86053	1.6
222.33699	1.6
275.09076	1.8
301.11633	2.2
319.12854	7.5
320.13715	2.3
333.45923	1.8
337.13788	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	335.2578
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
51.08345	1.6
55.05489	11.6
57.03417	4.5
57.07063	2.0
65.03928	1.9
67.05486	15.7
69.03431	2.3
69.07045	9.0
71.04975	2.8
71.08616	8.9
78.15470	2.1
79.05479	23.1
81.03396	3.3
81.07038	42.0
83.08617	3.6
85.06538	2.8
91.05438	19.3
93.07021	37.2
95.04951	3.2
95.08571	39.2
97.06519	2.2
98.97575	1.9
99.08054	4.3
99.42906	1.8
105.07001	36.6
106.05126	1.9
107.08570	53.1
109.06493	2.9
109.10123	18.6
114.36986	2.2
117.06970	10.3
119.08559	84.4
121.06490	2.2
121.10104	20.4
123.11681	10.6
129.06985	2.6
131.08530	31.6
133.10103	52.7
135.11676	19.0
137.09581	3.8
141.07001	2.6
143.07500	2.0
143.08551	11.6
145.10080	30.8
147.11667	30.4
149.13210	11.4
149.69681	2.2
151.11174	2.5
157.08937	2.0
157.10069	14.9
158.10896	2.7
159.11646	33.5
161.13260	23.9
163.11185	3.8
163.14725	2.2
169.10077	5.0
171.11633	19.3
173.13225	65.0
175.14812	9.4
177.12814	2.7
183.11639	4.2
185.13214	19.5
187.14783	33.8
191.14229	2.9
197.13196	7.9
199.14818	14.6
201.16376	2.4
203.14243	4.5
211.14819	3.0
213.16267	3.8
225.16403	7.9
241.19299	4.2
255.20976	3.4
259.20325	2.3
273.22183	2.3
281.22580	44.8
288.50555	2.0
296.92667	2.5
299.20459	2.6
299.23624	80.9
317.24673	100.0
335.25751	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	335.2577
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
51.80240	1.1
55.05498	6.1
55.34239	1.0
57.03434	2.0
59.53489	1.3
67.05492	16.5
69.07046	6.4
70.62029	1.1
70.96754	1.1
75.06001	1.2
75.83833	1.0
79.05475	16.9
81.06586	2.1
81.07039	41.6
83.08602	2.6
88.07616	2.3
91.05461	19.1
93.07018	25.0
95.08581	34.9
96.67715	1.2
97.06498	1.3
98.51789	1.3
99.67032	1.1
100.17592	1.1
102.05320	1.2
105.07012	40.6
107.08580	42.5
109.06551	1.2
109.10133	19.6
117.07024	8.4
119.08559	88.9
121.10113	16.8
123.08038	1.9
123.11691	9.9
128.06195	1.3
129.07008	4.6
131.08553	23.0
131.94041	1.3
133.10101	39.6
135.11667	19.2
137.09598	2.3
142.07761	1.5
143.08539	15.0
145.10101	32.7
147.11656	40.2
147.12740	2.3
149.13255	18.8
151.11200	1.9
153.38605	1.3
155.08534	2.4
156.09338	2.4
157.10085	14.6
158.10910	1.7
159.11665	30.2
161.13226	28.5
163.11127	1.2
163.14775	2.5
165.12762	1.4
169.10121	5.1
170.27135	1.1
171.11652	27.4
173.13223	73.7
175.14799	6.9
177.12827	2.1
183.11649	5.9
185.13239	21.8
187.14789	31.5
189.12723	2.1
189.16391	2.0
197.13208	9.4
199.14824	22.4
201.16357	9.1
203.14317	2.1
205.15938	1.4
211.14799	6.9
213.16368	6.2
225.16313	9.4
239.17845	4.8
241.19382	8.5
252.18649	1.8
255.20975	8.1
257.22531	2.2
281.22577	59.9
299.23636	100.0
317.24689	85.1
335.25757	34.5
335.29727	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	335.2577
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03913	1.4
54.48250	1.1
54.81880	1.5
55.05499	6.4
57.03428	3.3
62.33780	1.1
62.56199	1.2
67.05490	15.3
69.07050	3.4
74.57235	1.3
79.05473	17.2
80.02229	1.4
81.07036	38.0
83.08620	3.4
91.05466	21.5
92.09137	2.5
93.07011	28.5
94.46983	1.3
95.08570	31.7
97.06471	1.7
97.10124	2.0
99.08051	1.7
105.07010	42.7
105.07666	2.7
107.08580	48.3
109.10142	15.7
117.07003	8.7
119.08553	83.2
121.10119	16.4
123.11694	6.5
129.06998	3.0
131.08531	25.4
133.10101	50.7
135.11664	18.3
137.13292	1.8
142.07744	1.4
143.08511	10.6
144.09276	1.9
145.10097	37.7
147.11667	35.2
149.13222	16.3
155.08510	2.4
157.10118	8.5
158.10851	2.0
159.11659	27.4
161.13223	15.7
163.14832	1.6
169.10147	2.7
171.11649	19.3
173.13219	72.1
175.14796	10.1
183.11630	3.2
185.13194	19.4
187.14772	36.3
193.89653	1.5
197.13234	2.1
199.14812	23.9
201.16347	6.6
211.14799	8.2
213.16411	3.2
217.16031	1.6
225.16412	5.5
239.17856	6.6
241.19461	6.2
255.21025	2.8
259.20569	1.7
273.21915	1.7
281.22568	40.9
281.25461	2.5
299.23633	89.2
317.24686	100.0
335.25546	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	335.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49006	1.1
53.78298	1.2
55.05520	4.8
56.96534	1.4
57.03421	3.4
57.07051	1.5
62.71159	1.4
67.05488	14.6
69.07045	7.8
79.05477	16.4
81.06596	2.1
81.07040	34.9
81.31075	1.8
83.08620	6.2
91.05447	15.3
92.64119	1.6
93.07023	29.9
95.08579	31.6
105.06355	2.6
105.07008	35.1
105.07655	2.7
107.08572	46.8
109.06493	1.7
109.10128	16.8
117.06984	9.5
119.07705	2.8
119.08551	79.5
121.10112	15.6
121.20976	1.5
122.32761	1.4
123.11678	7.8
126.20266	1.4
129.06935	2.7
131.08534	27.2
133.10114	40.8
135.11626	12.0
137.09618	2.9
143.08521	12.8
144.09291	1.9
145.10107	32.1
147.11646	24.2
149.13232	13.1
151.11095	2.6
155.08513	1.6
157.10097	14.3
159.11671	23.6
161.13214	12.4
165.12711	1.6
169.10104	2.6
171.11633	18.1
173.13216	61.6
175.14766	10.9
183.11618	3.3
185.13181	14.0
187.14769	32.6
197.13202	6.5
199.14777	18.7
201.16307	6.8
205.15868	1.7
211.14807	2.8
225.16290	3.3
255.21111	2.8
281.22577	36.0
299.23627	77.2
317.24677	100.0
335.25696	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	335.2576
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
50.35160	0.6
51.41513	0.6
55.05492	4.5
55.70574	0.7
57.03434	5.6
57.07058	1.3
63.51579	0.7
64.08155	0.7
65.03918	0.8
67.05489	17.0
69.07058	5.8
77.18822	0.7
77.81441	0.8
79.05042	1.4
79.05470	21.0
81.07037	35.8
83.08591	5.1
86.01925	0.7
88.46336	0.8
91.05454	19.7
93.07011	26.0
95.04913	1.3
95.08582	33.3
97.06487	4.0
97.10104	1.0
105.07009	36.8
107.08575	49.6
109.06490	1.7
109.10133	19.2
111.08076	1.0
117.06993	11.6
119.08557	92.4
121.10119	15.9
123.07980	1.0
123.11678	6.6
129.06975	6.2
130.07736	1.3
131.08545	31.1
133.10104	53.6
135.08067	0.8
135.11678	17.7
137.09596	4.1
142.07716	1.5
143.08521	12.0
144.09355	1.3
145.10103	34.0
147.11664	28.5
149.09584	0.9
149.13234	14.1
151.11137	3.2
155.08531	1.9
156.09264	1.1
157.10097	12.0
158.10901	4.0
159.11661	25.9
161.13216	18.2
163.11186	1.1
163.14813	3.2
165.12721	2.0
169.10062	1.9
171.11659	19.3
173.13217	76.5
175.14803	11.2
177.12662	1.8
177.16521	1.0
183.11659	5.2
185.13205	21.4
187.14783	42.3
189.12695	1.3
191.14374	1.5
197.13170	6.2
199.14801	21.9
201.16360	6.7
203.14294	3.5
205.15852	3.2
211.14748	9.0
213.16299	6.8
217.15826	1.9
221.63664	0.9
225.16342	8.2
227.17886	1.8
229.15700	0.8
239.17883	4.6
241.19423	6.3
243.17497	1.2
253.19485	1.8
255.20943	5.2
259.20505	1.3
266.19955	0.9
273.21982	1.3
281.22583	42.6
299.23630	89.5
304.04428	0.9
317.24689	100.0
318.35577	0.8
335.25769	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03917	3.3
55.05505	38.7
57.03428	33.7
57.07031	3.3
67.05489	100.0
69.07052	27.4
75.05455	3.1
79.05475	56.6
81.06595	5.8
81.07040	84.4
83.08611	6.0
83.12026	3.5
91.05474	24.8
91.05949	3.1
92.09358	5.0
93.07029	56.8
95.04951	5.2
95.08591	65.7
105.07013	12.9
107.08585	20.4
109.10140	21.2
119.08553	11.5
121.10124	17.4
123.11682	3.9
131.08548	5.1
133.10072	5.4
135.11697	6.3
145.10036	4.6
147.11678	4.5
149.13255	4.8
162.95340	3.1
180.00386	3.5
187.14720	3.9
246.86539	3.5
275.90176	3.4
335.25717	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2214
Annotation	(-)-Leucothol C
Peak:m/z	Relative Intensity
53.03922	1.0
54.30681	0.7
55.01863	0.9
55.05495	4.1
67.05495	16.5
69.03404	1.1
69.07049	4.5
79.05476	19.5
81.07042	29.7
83.04977	1.2
83.08615	2.0
85.06541	2.1
91.05457	28.2
92.08952	5.9
93.07025	34.1
95.04937	1.6
95.08585	20.8
105.07011	38.5
106.12675	1.0
107.08582	30.8
109.06499	3.9
109.10134	12.2
111.08070	4.1
117.06997	29.3
119.08566	30.6
121.06432	3.4
121.10115	24.9
123.08006	1.9
123.11721	1.2
125.05984	1.3
125.09618	1.1
128.06174	1.1
129.06981	5.8
130.07799	2.1
131.08546	21.9
133.06555	1.4
133.10110	30.0
135.08127	1.1
135.11664	15.5
137.09576	2.0
139.07491	1.4
141.06998	1.3
142.07808	1.3
143.08531	13.6
144.09341	1.6
145.10107	100.0
147.11674	25.5
149.13165	1.3
151.07533	1.4
151.11134	6.4
155.08521	4.0
156.09370	1.0
157.10098	19.4
159.11674	40.7
161.09586	4.0
161.13266	10.7
163.11148	74.8
165.09125	1.7
169.10104	5.0
171.11676	15.6
173.13232	14.6
175.14822	3.5
177.12723	1.8
179.10588	1.6
181.10066	1.2
183.11641	7.0
185.13226	6.9
187.14871	1.4
189.09132	1.3
189.12706	1.6
191.10641	6.1
193.27536	0.9
197.13213	12.3
199.11136	4.2
199.14795	4.0
201.16423	8.4
203.10690	1.8
205.12247	1.6
211.14764	8.2
213.16316	8.8
215.17938	5.1
217.12286	1.9
223.14885	1.2
225.12639	1.0
225.16359	4.9
229.12347	1.6
232.30922	0.9
243.13907	2.2
253.15605	1.3
253.19466	47.1
253.22058	2.0
255.21040	1.8
257.15335	2.0
263.17865	2.0
271.20483	23.7
273.22015	1.2
281.18970	14.0
282.22714	1.0
296.17691	1.0
299.20026	68.6
299.23416	3.3
300.24173	3.2
317.21051	31.4
317.24496	1.9
334.27515	1.7
335.27814	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	335.2188
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
56.93014	0.6
64.33118	0.7
67.05479	0.9
67.36971	0.8
68.06410	0.7
73.58838	0.8
81.07050	1.2
95.08583	1.3
119.02744	0.7
146.00322	0.8
169.36778	0.9
195.09850	1.6
211.10138	0.8
233.11642	1.3
255.75168	0.7
332.23511	0.8
335.21890	100.0
339.34283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05490	1.8
64.92959	1.5
67.05501	2.0
72.11173	2.0
79.05466	2.6
80.91785	1.7
81.07028	3.7
91.05460	2.6
93.07019	2.6
95.08586	3.8
105.07000	3.5
107.08559	3.2
119.08554	2.8
134.99646	2.3
218.54721	1.7
335.17822	3.2
335.21909	100.0
335.25644	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62882	0.5
51.33139	0.4
51.45537	0.4
53.22592	0.4
54.67552	0.5
55.63748	0.4
60.13234	0.5
62.99988	0.4
70.00067	0.5
85.25433	0.5
91.20789	0.6
92.08736	0.7
106.90115	0.5
115.77907	0.6
141.93571	0.6
177.45317	0.6
182.13193	0.6
195.09915	1.2
233.83788	0.6
274.43600	0.8
305.98108	0.8
331.52240	0.6
331.56415	0.7
335.21866	100.0
356.15585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33712	0.3
54.60168	0.2
59.99515	0.2
79.05474	0.5
86.09689	41.8
91.05463	0.5
93.07008	1.7
102.02354	0.3
103.05450	3.2
105.07021	0.3
111.00207	0.3
119.08577	0.4
120.08079	100.0
121.06489	4.5
121.08392	0.3
128.10692	11.0
131.04900	1.8
145.58412	0.3
156.10173	1.7
163.07532	1.8
180.10159	27.4
266.12958	0.3
298.22433	0.4
317.23239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.6
53.03942	0.9
55.05502	2.7
57.03431	0.9
65.03923	4.4
67.05498	7.0
69.07056	100.0
71.04985	1.0
79.05469	4.6
81.03404	7.4
81.07047	12.0
83.08590	1.0
88.96078	0.6
91.05443	4.2
92.04994	4.4
93.07015	5.6
94.06532	5.3
95.04934	2.9
95.08593	3.5
96.73678	0.7
97.02846	0.8
97.06510	15.2
98.97540	1.3
105.06980	5.5
106.06564	0.7
107.08600	2.5
108.04451	1.2
109.05264	0.6
109.06535	1.2
109.10160	0.8
110.05983	0.6
116.98588	0.8
119.08533	3.5
121.05236	0.8
121.10127	1.0
122.06001	10.4
124.07577	1.5
125.05955	0.9
129.06924	0.9
131.08517	1.5
131.25682	0.6
133.10124	1.3
135.08057	0.7
135.11696	1.1
137.05951	3.9
138.05472	4.3
140.07063	7.1
143.08591	1.2
144.08072	3.3
145.08867	3.8
145.10104	5.3
146.09619	3.8
147.11678	1.3
148.03992	1.1
150.05486	53.5
155.08472	0.7
157.08809	3.7
157.09967	1.8
159.10403	1.3
159.11694	1.4
160.07552	1.0
161.08342	3.5
162.09108	2.7
163.11118	0.8
164.03421	1.0
166.04964	35.8
172.07541	1.1
172.11157	4.8
173.08354	2.5
174.09128	0.9
174.12703	5.8
176.03371	8.8
178.04990	2.8
185.08365	2.5
185.13268	0.8
186.05530	0.6
186.09091	1.5
188.10687	1.5
190.04877	0.7
190.08589	0.8
190.12228	3.8
193.12280	2.6
194.04404	3.0
198.07701	1.2
198.09288	0.7
200.07072	0.9
200.10687	9.0
202.12218	6.9
206.11876	0.7
215.11632	0.7
216.10149	4.1
218.11739	20.0
228.10185	15.6
234.11229	1.4
241.09676	0.9
244.09644	2.8
245.12848	1.3
245.77264	0.7
246.11205	17.2
253.19377	0.7
254.08495	0.7
256.09412	0.9
257.09177	1.4
271.10690	3.9
272.09061	2.9
274.10629	1.2
286.16855	0.7
287.10229	6.0
289.11752	7.3
290.10135	0.8
299.10181	4.3
299.19971	1.1
317.07822	1.0
317.11252	18.2
335.12302	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	334.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81821	0.3
55.05492	1.7
56.05030	9.5
57.06810	0.5
57.07067	9.2
58.06591	12.5
60.04522	3.9
68.05024	0.5
69.07034	1.0
70.06557	0.6
71.08625	4.7
72.08141	5.2
74.06067	6.3
75.04458	0.7
85.10181	0.8
86.06055	7.7
87.04430	0.5
88.07615	69.5
89.06030	0.8
92.08852	2.9
100.07587	2.7
102.09171	0.8
103.66280	0.5
104.07092	6.0
118.08643	0.9
132.10181	19.3
143.08563	0.5
148.68712	0.5
152.81677	0.4
162.11252	4.9
166.10739	4.0
228.23125	0.8
242.24745	53.7
254.24709	1.7
286.27353	20.9
314.81296	0.4
316.28464	2.9
334.29456	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	335.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42577	4.7
54.74067	5.6
60.03440	5.1
62.41264	4.7
64.45288	4.4
66.60275	5.0
67.38152	5.5
81.03373	7.5
81.37343	5.7
84.08130	65.8
90.28080	5.4
92.09117	8.5
97.02917	6.0
118.03569	6.9
123.05525	38.5
127.03900	11.3
128.50050	5.5
130.08630	100.0
134.61481	5.4
137.05977	6.5
188.16977	6.3
335.07175	92.3
351.34286	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	334.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85440	1.1
54.76158	1.2
55.05487	8.6
55.75605	1.3
57.56417	1.5
67.05485	22.8
69.07037	8.2
71.04971	3.6
71.31077	1.5
79.05473	16.6
81.07030	56.7
82.96487	1.3
83.08607	3.0
85.06516	1.5
85.55240	1.3
91.05454	18.0
92.09233	3.7
93.07021	33.0
95.04967	2.0
95.08003	2.6
95.08585	62.5
97.10115	6.7
105.07005	43.7
107.08567	34.6
109.06458	2.1
109.10144	21.7
117.06989	8.4
119.08552	27.0
121.10117	24.6
123.08052	7.1
123.11741	10.7
129.06960	7.1
131.08540	25.0
133.10091	28.4
135.08067	1.8
135.11647	18.6
136.36731	1.5
137.05937	2.8
137.09598	1.8
137.13158	1.8
142.07765	3.7
143.08540	12.5
145.10112	28.0
147.11671	30.2
149.13217	15.3
151.11098	2.3
155.08499	1.8
157.10107	25.5
159.11638	37.7
161.13232	33.6
163.14746	3.3
167.07072	1.8
171.11607	11.2
173.13235	19.7
175.11179	8.8
175.14783	14.6
177.16292	2.7
183.11620	2.6
185.13226	14.7
187.14789	14.9
189.12683	2.2
189.16364	5.9
199.14813	16.6
201.16356	10.0
203.14212	3.3
211.14719	3.8
213.16336	6.1
215.17914	5.7
225.16310	7.5
227.17889	13.3
245.73962	1.7
255.20999	35.2
273.22009	3.2
281.22601	68.1
298.22345	2.7
299.23642	27.2
317.21146	3.2
317.24655	39.2
334.27313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39093	1.1
55.05264	1.3
55.05497	12.4
67.05489	17.5
69.07042	6.4
71.04962	7.3
71.08582	1.4
71.33112	1.3
76.69716	1.2
79.05473	10.5
81.07033	23.4
82.06574	1.4
83.04935	2.4
83.08607	13.8
85.06519	17.4
88.11250	2.2
91.05457	12.4
91.80394	1.2
93.07021	25.5
95.08590	30.2
100.07584	2.6
100.11224	14.0
105.07005	24.9
107.08572	25.9
109.06493	3.1
109.10143	26.5
110.06055	1.5
111.04411	3.0
111.08047	1.3
117.07005	5.3
119.08563	17.1
121.10136	19.2
123.08015	1.6
123.11662	2.5
125.09600	1.9
128.07050	2.7
129.06989	2.4
131.08540	18.7
133.10107	14.6
135.08038	1.5
135.11656	15.8
137.05937	2.2
137.09631	2.6
141.11499	2.9
143.08533	8.7
145.10085	23.0
147.11691	27.7
149.09610	1.7
149.13245	17.0
155.08501	1.4
156.09384	1.6
157.10071	6.9
159.11656	22.8
161.13246	17.0
163.11154	1.7
163.14764	10.2
163.68765	1.3
168.07335	1.6
170.15370	9.1
171.11650	12.7
173.13185	14.2
175.14795	9.8
177.16327	2.2
182.15390	9.0
183.11603	1.7
185.13161	9.2
187.14795	5.4
189.12682	10.0
189.16298	1.8
191.14139	1.8
197.13115	1.6
198.14859	2.7
199.14801	8.0
201.16434	1.8
203.14345	6.5
205.15863	5.7
210.14903	5.0
211.14804	5.7
213.16391	2.3
215.17914	6.6
217.15891	2.7
225.16364	7.1
239.17819	2.0
241.19441	5.7
255.20978	12.1
257.22623	5.5
262.21338	1.7
281.22559	31.3
299.14902	2.7
299.23624	62.0
316.22833	1.5
317.24738	12.6
334.27332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01847	0.2
55.59105	0.2
57.03408	0.3
57.38087	0.2
61.02905	1.2
68.94865	0.2
69.03403	1.1
69.92527	0.2
73.02894	0.3
81.03382	0.5
85.02888	5.4
91.05432	0.5
92.09206	0.4
94.04147	1.6
97.02863	1.6
99.04407	0.3
109.02840	0.3
111.04417	1.1
114.36914	0.3
122.03622	6.5
127.03837	0.5
128.18071	0.2
134.16309	0.2
134.39879	0.2
137.05951	100.0
143.62976	0.2
145.04907	0.3
155.03377	1.1
162.11145	0.3
180.08626	0.4
259.14352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.263
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
55.01862	4.5
55.05503	27.4
56.82222	0.7
57.03418	5.5
57.07063	5.1
59.05001	1.0
63.44549	0.8
65.03928	0.9
67.05491	89.5
69.07053	38.1
71.04975	7.0
73.06508	0.8
74.29921	0.8
76.45572	0.8
79.05472	32.1
81.07039	100.0
81.54751	0.8
83.04964	4.9
83.08604	14.6
85.06530	6.9
91.05469	13.8
93.07020	35.8
95.04916	1.5
95.08585	83.6
95.11776	0.8
97.06509	9.8
97.10152	9.5
99.08049	1.8
105.07018	11.1
107.08575	23.1
108.81227	1.0
109.06483	1.7
109.10139	38.8
111.08064	4.2
117.06995	3.6
119.08562	11.7
119.49186	0.9
121.10106	17.4
123.08030	1.2
123.11686	16.8
125.09609	1.6
131.08549	8.2
133.10088	8.8
135.08070	0.9
135.11674	13.7
137.06029	1.3
137.09621	1.3
137.13242	5.5
139.11153	1.7
145.10101	5.6
147.11639	6.9
149.13245	6.9
153.12737	0.9
159.11676	3.6
161.13255	7.5
163.14836	1.1
165.12767	1.3
165.16516	1.3
167.06932	1.3
170.23386	0.9
173.11774	1.4
173.13229	5.4
175.14777	1.2
179.14259	1.8
181.12404	1.0
187.14828	2.1
195.13751	1.3
209.15288	1.3
223.16928	2.1
243.21037	4.7
261.22070	15.1
263.86261	0.9
279.23129	63.4
297.24219	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	333.2421
Annotation	11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one
Peak:m/z	Relative Intensity
50.06713	1.1
51.88125	1.2
52.88269	1.4
54.81975	1.4
55.05498	2.0
57.03426	3.2
59.79768	1.2
61.15157	1.3
65.88441	1.6
67.05492	6.1
69.07057	1.6
70.71666	1.7
74.39070	1.5
78.64846	1.5
79.05482	3.6
81.07026	20.1
81.39583	1.5
91.05458	8.6
92.55910	1.7
93.07024	13.8
95.08586	20.9
97.06499	2.0
105.07016	27.1
107.08585	15.2
109.10135	3.7
117.07027	3.1
119.08562	66.8
121.10105	6.0
123.08047	12.0
123.11652	2.5
131.08528	17.4
133.10107	50.5
135.11700	3.5
143.08557	3.4
145.10100	24.8
147.11646	9.6
149.09509	3.0
149.13274	2.0
157.10027	3.3
158.10886	2.3
159.11690	13.7
161.13237	8.0
163.11194	1.8
171.11626	6.1
173.13240	30.9
173.38321	1.5
175.14809	2.9
183.11644	3.2
185.13252	6.7
187.14786	40.0
187.16414	2.0
197.13361	1.6
239.17912	2.4
255.20976	2.0
257.18887	3.1
271.20557	5.8
279.21017	7.3
295.73987	1.5
297.22089	83.7
315.23114	100.0
316.23434	3.2
333.24231	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	333.2421
Annotation	16alpha-hydroxypregnenolone
Peak:m/z	Relative Intensity
55.01868	2.0
55.05496	3.3
56.96510	1.3
57.07043	1.8
67.05502	13.6
69.03419	3.1
69.07038	7.7
71.04970	16.4
71.86909	1.4
79.05487	14.9
80.52549	1.6
81.07051	19.9
82.40360	1.4
83.04964	2.8
83.08605	5.4
85.06520	17.9
86.02717	1.5
91.05451	9.7
92.08875	13.5
93.07023	25.0
95.04944	3.1
95.08582	31.0
97.06512	6.5
103.14155	1.4
105.07014	31.9
107.08572	31.6
109.06496	9.7
109.10160	13.1
113.05993	2.1
117.06980	8.0
119.08568	33.1
121.06516	1.9
121.10101	19.3
123.08053	57.8
123.11675	1.9
129.06944	1.8
131.08540	18.8
133.10123	28.1
135.08069	1.7
135.11694	13.1
137.09586	2.2
142.07701	2.3
142.43961	1.5
143.08551	10.5
145.03442	2.2
145.10115	35.8
147.11670	30.0
149.09601	2.9
149.13255	3.5
155.08559	2.7
157.10107	19.5
159.11661	29.3
161.09521	1.9
161.13243	29.9
163.11150	2.3
163.14825	2.3
169.10091	6.3
171.11661	17.9
173.13206	19.3
175.14803	8.0
177.12785	2.5
183.11676	9.0
185.13258	14.5
187.14783	27.9
189.12758	1.9
195.11531	1.7
197.13223	14.1
199.14807	9.1
201.12753	2.4
201.16512	3.2
203.14301	9.9
205.15823	13.6
209.13353	1.5
211.14828	3.1
213.16345	7.4
215.14279	2.4
215.17836	1.8
223.14841	1.9
227.17816	12.2
231.59021	1.6
231.88074	1.5
237.16382	1.8
239.17873	9.0
241.15831	12.3
245.19113	11.3
253.19438	13.6
255.21078	14.9
257.18878	2.9
269.19003	1.7
271.20633	3.3
273.22000	5.5
279.21112	10.2
297.19418	1.3
297.22058	82.2
315.23148	100.0
333.20264	26.5
333.24188	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2418
Annotation	Tintinnadiol
Peak:m/z	Relative Intensity
53.03938	0.8
54.08593	0.9
55.05511	8.1
57.03425	1.8
65.03947	1.1
67.05489	18.7
67.52250	0.9
69.07035	6.2
71.04939	1.1
79.05465	18.3
81.07035	60.8
83.04955	1.6
83.08586	5.1
85.06549	1.1
88.70705	1.0
91.05450	16.3
93.07012	23.8
95.04945	2.3
95.08578	32.9
97.06495	5.9
97.10120	1.2
103.80450	1.0
105.07014	37.4
107.04921	1.4
107.08574	24.8
109.06468	7.7
109.10146	26.5
111.08076	1.5
113.05931	1.1
115.05394	1.9
117.06995	12.3
119.08554	36.7
121.06447	2.4
121.10099	9.3
123.08018	8.4
123.11681	3.9
128.06192	4.6
129.06975	9.1
130.07761	2.4
131.08530	20.6
133.10100	16.8
135.11674	12.4
137.09602	20.5
141.06967	2.1
142.07732	7.2
143.08531	21.0
144.09282	4.2
145.06409	1.0
145.10092	70.3
147.07990	1.4
147.11659	20.1
149.09723	1.0
149.13261	2.0
151.11113	2.1
155.08533	14.0
156.09315	5.2
157.10103	29.3
158.10884	1.9
159.11664	32.8
161.09578	1.1
161.13225	13.0
163.11095	2.5
165.06961	1.7
167.08556	1.9
168.09305	2.2
169.10085	16.9
170.10791	1.4
171.10310	1.3
171.11656	27.2
173.09532	1.6
173.13182	18.4
175.11125	1.4
175.14749	2.1
179.08539	1.8
181.10052	5.7
182.10930	2.0
183.11642	14.0
185.13223	15.4
187.11128	1.7
187.14803	7.1
187.73038	1.1
189.12724	5.0
193.10094	2.4
194.10786	1.9
195.11658	12.5
196.12384	1.6
197.13205	23.2
199.14789	17.4
201.12668	1.5
201.16370	1.8
203.14259	2.0
207.11705	1.2
208.12392	2.1
209.13245	14.2
210.13956	1.2
211.14818	13.0
212.15645	1.5
213.12781	1.6
213.16362	9.0
214.17088	1.2
215.14294	3.9
217.15921	1.7
221.13087	1.8
222.14105	1.4
223.14755	23.3
224.15498	2.0
225.16357	2.1
227.14232	2.2
227.17934	4.7
229.15892	1.6
235.14720	4.1
237.16313	21.2
239.17931	12.6
241.15735	1.2
249.16356	1.2
250.17055	4.2
251.17949	2.5
253.19424	7.6
254.20200	1.9
255.17381	5.4
255.21014	16.2
264.18689	1.9
269.22522	4.7
273.22061	2.1
279.21002	50.8
297.22052	100.0
315.23120	56.6
333.24142	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	333.2421
Annotation	16-alpha-Hydroxypregnenolone
Peak:m/z	Relative Intensity
50.19298	1.3
53.89472	1.4
55.05503	7.0
56.96550	7.6
58.69609	1.4
67.05482	16.5
67.76672	1.5
69.07048	4.0
71.04984	14.6
76.17768	1.6
79.05474	12.5
81.07034	20.2
83.04962	2.6
85.06528	15.6
91.05422	15.6
93.07025	21.4
95.08582	23.9
97.06504	17.6
97.17015	1.6
98.55580	1.4
98.97600	3.6
105.07010	30.0
107.08572	26.5
109.06503	22.9
109.10148	12.0
111.08079	1.8
115.05391	2.2
116.98631	2.4
117.07010	12.9
119.08553	17.6
121.10117	17.2
123.08056	14.5
123.11645	1.8
128.06133	2.8
129.06984	7.5
131.08543	22.4
133.10086	16.2
135.11659	6.8
141.06900	2.2
142.07706	2.1
143.08546	22.1
145.10103	49.0
147.11673	13.8
149.13226	2.5
155.08536	8.1
156.09290	2.7
157.10088	23.3
159.11649	38.4
161.13203	6.7
168.09259	2.0
169.08852	1.6
169.10075	12.0
171.11693	20.3
173.13239	12.4
181.10083	2.9
182.10843	2.0
183.11652	10.5
185.13205	14.4
187.14761	3.1
189.12845	2.3
193.10265	1.7
195.11670	12.2
196.28612	1.6
197.13228	13.1
199.14813	7.0
203.14252	3.2
209.13220	8.2
211.14803	9.0
213.16354	21.8
215.14240	3.0
215.17958	2.0
223.14722	6.3
225.16208	2.5
227.17889	11.0
235.14723	2.0
237.16350	10.5
239.17908	9.7
245.19066	1.9
253.19324	17.1
255.17329	11.7
266.88123	1.7
279.21033	18.5
297.22083	100.0
297.25439	3.4
315.23141	45.0
333.20642	2.1
333.24216	12.7
346.74054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2419
Annotation	11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one
Peak:m/z	Relative Intensity
53.03915	1.5
55.05501	2.0
67.05486	20.4
69.07044	6.5
79.05470	29.5
81.07040	28.7
85.06519	3.1
91.05458	25.0
92.09397	1.4
92.93633	1.5
93.06476	2.7
93.07019	44.1
95.08562	20.7
97.06513	6.5
98.06872	1.5
99.08062	1.7
100.83744	1.5
105.07006	31.7
107.08577	35.5
109.06469	2.7
109.10120	14.0
111.08041	10.3
115.83905	1.6
117.07001	10.8
119.08549	29.1
121.06480	2.1
121.10133	22.6
123.08037	5.8
123.11688	2.4
128.64279	1.5
129.06990	7.0
131.07602	2.8
131.08527	24.6
133.10103	24.4
135.08072	15.2
135.11678	11.2
137.09578	8.9
140.80293	1.5
141.06963	2.8
143.08540	19.7
145.10078	31.8
147.08061	3.0
147.11667	29.7
149.09613	2.8
149.13271	8.6
151.11194	2.1
155.08534	8.7
157.10109	20.9
159.11664	32.9
161.09677	2.8
161.13200	27.8
163.11264	2.2
163.14818	2.2
167.08504	2.0
169.10130	10.7
170.10817	2.1
171.11609	19.6
173.09496	2.2
173.13235	12.1
175.11194	3.5
175.14803	10.7
177.12677	2.7
181.10185	2.5
183.11661	7.4
185.13231	15.2
187.11194	3.5
187.14816	10.7
189.12749	5.5
191.14322	2.1
195.11731	7.1
197.13187	12.3
199.14783	14.7
201.12683	7.5
201.16420	3.2
203.14270	14.4
209.13251	9.1
211.14767	6.5
213.16325	3.7
215.14297	3.8
223.14742	13.6
237.16321	3.8
239.17902	8.0
241.15778	1.7
251.17751	2.1
253.19395	9.0
254.20293	2.2
255.21136	6.5
279.21005	50.8
297.22031	100.0
315.23114	64.9
315.26840	2.3
333.23465	2.7
357.11465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2419
Annotation	Tintinnadiol
Peak:m/z	Relative Intensity
53.25697	1.2
54.01071	1.2
55.05497	2.5
62.20968	1.1
66.65572	1.2
67.05492	6.6
68.66811	1.3
69.07055	6.0
72.18082	1.4
77.61123	1.2
79.05474	13.1
81.07032	21.8
83.04961	11.8
83.08618	2.0
85.06544	9.7
91.05446	9.1
91.05959	1.3
92.09296	1.8
93.07014	14.8
95.08594	15.9
97.06514	91.8
105.07005	16.6
107.08579	11.9
109.06499	100.0
109.10143	9.9
117.06976	2.5
119.08557	26.0
121.06487	10.8
121.10142	9.5
123.08050	27.0
131.08537	14.8
133.10104	17.4
135.11630	2.7
137.09494	1.6
141.07079	1.6
143.08530	8.9
145.10074	24.1
147.08032	3.0
147.11647	11.3
149.09671	2.2
149.13261	2.4
155.08543	2.7
157.10086	10.1
159.11681	14.0
161.13216	7.0
163.11121	2.3
163.14783	2.0
169.10139	5.5
171.11624	17.7
173.11777	2.2
173.13211	26.7
175.11107	1.6
175.14793	8.8
183.11681	7.0
185.09607	1.4
185.13213	5.9
187.14795	9.1
189.12599	2.0
189.16362	2.7
197.13261	8.3
199.14854	5.9
201.12860	1.3
201.16347	11.9
203.14360	2.3
211.14764	3.3
213.12755	2.0
213.16232	2.6
215.14264	2.1
215.17912	3.2
220.62971	1.5
223.14713	6.4
225.16248	1.5
227.14304	5.8
227.17918	2.1
237.16367	2.7
239.17905	3.3
241.15802	9.2
253.19481	10.9
269.19504	1.5
271.20535	12.8
279.21082	12.1
297.22061	45.6
303.12827	1.7
315.23132	32.9
333.24170	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2419
Annotation	17alpha-Hydroxypregnenolone
Peak:m/z	Relative Intensity
55.01830	2.7
55.05489	10.5
55.93981	2.1
62.45703	2.3
64.12102	2.2
67.05488	28.9
69.03400	2.4
69.07035	9.1
72.37339	2.3
79.05472	34.4
81.07032	34.4
83.04967	4.2
85.60106	2.1
87.04450	13.3
91.05460	44.8
93.07022	45.5
95.08576	29.2
95.60779	2.2
97.06499	3.0
98.97575	2.8
101.06009	4.0
103.18675	3.0
105.07005	54.7
107.08565	49.3
109.06524	9.6
109.10131	25.7
117.06996	25.1
119.08557	41.9
121.10139	30.3
123.08017	3.7
123.11685	3.6
129.06973	16.0
131.08560	32.6
133.10103	100.0
134.30667	2.5
135.08107	2.4
135.11670	25.9
137.05969	3.2
142.07762	2.7
143.08542	16.0
145.10101	88.7
147.11665	28.4
149.09599	3.1
149.13217	6.1
151.11160	41.1
155.08545	5.5
156.09325	2.6
157.10095	20.9
159.11632	42.7
161.13196	28.2
163.11131	54.5
169.10092	12.9
171.11636	16.8
173.13200	13.3
175.14745	5.5
177.12646	2.5
181.10063	4.8
182.10901	2.5
183.11656	14.3
185.13235	18.9
187.14836	9.7
195.11598	5.2
197.13243	11.7
199.14870	13.0
209.13223	5.1
211.14723	4.1
213.16473	3.0
215.17790	3.3
223.14763	10.8
225.16330	3.3
227.17874	3.4
237.16277	4.9
239.17960	11.1
241.19377	2.8
249.48346	2.7
253.19568	4.6
255.20883	8.9
257.18832	3.3
267.20938	6.0
269.22589	5.0
279.20963	53.4
297.22098	49.8
303.77267	3.0
315.23111	52.1
333.24225	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	333.2421
Annotation	Tintinnadiol
Peak:m/z	Relative Intensity
50.03057	1.6
55.05493	9.6
57.03404	3.0
57.07041	2.1
62.25481	1.3
65.03904	1.8
67.05490	23.2
69.03397	8.1
69.07043	7.8
69.35927	1.8
71.04953	2.5
73.22310	1.4
79.05473	30.1
81.07033	61.0
83.04958	3.9
83.08607	3.2
85.06530	2.4
87.04446	7.0
91.05463	31.8
92.09254	2.0
93.07016	45.9
95.04955	3.0
95.08580	44.2
97.02882	1.6
97.06499	13.6
98.97574	2.7
101.05963	1.9
105.06364	2.6
105.07011	54.4
105.86671	1.6
107.08572	49.4
109.06508	12.4
109.10120	27.0
111.08057	2.0
117.07015	17.2
119.08553	42.3
121.06471	2.0
121.10126	24.2
122.03615	2.2
123.04394	1.9
123.08039	6.8
123.11691	6.5
129.06964	13.4
130.07750	7.3
131.08536	39.7
131.09457	2.8
132.94858	1.6
133.10112	51.1
135.11670	19.0
137.05937	35.5
137.09579	9.3
141.06923	2.4
142.07721	8.9
143.08534	25.7
144.09290	2.7
145.10103	74.6
147.11650	26.7
149.09523	2.1
149.13200	6.8
151.11136	10.5
153.06952	1.8
155.08516	9.2
156.09357	5.9
157.10088	34.1
159.11668	45.8
161.09489	2.2
161.13234	20.4
163.11130	11.6
166.07693	1.9
167.07028	35.1
167.08414	5.1
168.09254	2.9
169.10091	23.7
171.11636	33.3
173.13248	28.2
175.11186	2.8
175.14760	7.8
181.10068	4.0
182.10808	3.5
183.11612	18.4
185.13203	22.4
187.11148	2.4
187.14818	12.4
189.12709	3.2
189.16185	2.6
193.10023	2.4
195.11659	12.8
197.13226	25.2
199.14771	22.3
201.12694	2.8
201.16357	7.0
203.14168	3.0
208.12553	1.9
209.13202	15.8
210.13954	2.5
211.14799	10.1
212.15529	1.6
213.16356	12.7
215.14282	3.2
215.17833	2.4
217.15733	3.6
222.13966	3.4
223.14803	19.1
224.15601	1.9
225.16283	2.3
227.14240	2.1
227.17906	6.6
235.97296	1.5
237.16331	13.6
239.17868	15.4
241.19441	2.9
249.16133	2.1
251.17892	2.6
253.19568	13.1
254.20238	2.4
255.17390	3.1
255.21016	21.1
257.18936	3.4
264.18356	2.4
269.19119	1.6
269.22430	12.4
279.20990	54.7
285.05569	1.9
288.09772	3.8
297.22055	100.0
315.23135	62.3
333.14340	3.2
333.24060	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	333.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03057	1.6
55.05493	9.6
57.03404	3.0
57.07041	2.1
62.25481	1.3
65.03904	1.8
67.05490	23.2
69.03397	8.1
69.07043	7.8
69.35927	1.8
71.04953	2.5
73.22310	1.4
79.05473	30.1
81.07033	61.0
83.04958	3.9
83.08607	3.2
85.06530	2.4
87.04446	7.0
91.05463	31.8
92.09254	2.0
93.07016	45.9
95.04955	3.0
95.08580	44.2
97.02882	1.6
97.06499	13.6
98.97574	2.7
101.05963	1.9
105.06364	2.6
105.07011	54.4
105.86671	1.6
107.08572	49.4
109.06508	12.4
109.10120	27.0
111.08057	2.0
117.07015	17.2
119.08553	42.3
121.06471	2.0
121.10126	24.2
122.03615	2.2
123.04394	1.9
123.08039	6.8
123.11691	6.5
129.06964	13.4
130.07750	7.3
131.08536	39.7
131.09457	2.8
132.94858	1.6
133.10112	51.1
135.11670	19.0
137.05937	35.5
137.09579	9.3
141.06923	2.4
142.07721	8.9
143.08534	25.7
144.09290	2.7
145.10103	74.6
147.11650	26.7
149.09523	2.1
149.13200	6.8
151.11136	10.5
153.06952	1.8
155.08516	9.2
156.09357	5.9
157.10088	34.1
159.11668	45.8
161.09489	2.2
161.13234	20.4
163.11130	11.6
166.07693	1.9
167.07028	35.1
167.08414	5.1
168.09254	2.9
169.10091	23.7
171.11636	33.3
173.13248	28.2
175.11186	2.8
175.14760	7.8
181.10068	4.0
182.10808	3.5
183.11612	18.4
185.13203	22.4
187.11148	2.4
187.14818	12.4
189.12709	3.2
189.16185	2.6
193.10023	2.4
195.11659	12.8
197.13226	25.2
199.14771	22.3
201.12694	2.8
201.16357	7.0
203.14168	3.0
208.12553	1.9
209.13202	15.8
210.13954	2.5
211.14799	10.1
212.15529	1.6
213.16356	12.7
215.14282	3.2
215.17833	2.4
217.15733	3.6
222.13966	3.4
223.14803	19.1
224.15601	1.9
225.16283	2.3
227.14240	2.1
227.17906	6.6
235.97296	1.5
237.16331	13.6
239.17868	15.4
241.19441	2.9
249.16133	2.1
251.17892	2.6
253.19568	13.1
254.20238	2.4
255.17390	3.1
255.21016	21.1
257.18936	3.4
264.18356	2.4
269.19119	1.6
269.22430	12.4
279.20990	54.7
285.05569	1.9
288.09772	3.8
297.22055	100.0
315.23135	62.3
333.14340	3.2
333.24060	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	333.2421
Annotation	17alpha-Hydroxypregnenolone
Peak:m/z	Relative Intensity
55.05496	12.4
61.35736	2.0
67.05487	24.2
69.07054	4.8
78.04707	2.3
79.05475	34.5
81.07032	34.6
83.08600	3.7
87.04444	11.0
91.05457	46.8
92.08751	15.1
92.09390	5.0
93.07012	45.7
95.04909	3.3
95.08594	36.3
101.05991	3.1
105.07007	62.1
107.08580	51.5
109.06432	2.8
109.10126	31.5
117.07006	25.9
119.08547	43.2
121.06532	2.6
121.10115	35.6
122.03597	11.4
123.04379	3.3
123.11723	5.1
129.06970	12.3
130.07730	2.5
131.08548	41.7
133.10106	100.0
135.11665	28.1
137.05963	64.5
137.09624	3.4
143.08543	22.3
145.10110	91.3
147.07979	2.6
147.11682	32.6
149.13240	4.0
150.52831	2.3
151.11162	35.2
155.08536	11.3
156.09387	2.5
157.10085	18.9
159.11630	34.1
161.13252	16.3
163.11163	40.4
167.07011	58.9
167.08397	4.4
169.10115	14.8
171.11600	20.8
173.13222	13.3
175.14937	3.2
181.09991	2.9
183.11667	12.6
185.13234	17.9
187.14847	10.6
189.12714	3.0
195.11670	3.6
197.13271	12.4
199.14815	5.0
201.16463	2.9
207.13670	3.1
207.24854	2.3
209.13245	10.2
211.14795	5.6
213.16309	5.1
215.14287	5.0
215.17917	4.4
223.14793	16.7
225.16318	4.0
227.17908	5.1
237.16266	9.4
239.17912	14.3
241.19485	5.1
246.13312	3.4
251.17860	12.6
253.19534	4.5
255.20978	15.6
257.18961	3.8
267.21054	3.8
269.07388	2.7
269.18738	3.3
269.22659	10.8
273.22046	3.6
279.21033	44.3
288.09735	3.2
297.22049	49.6
315.23129	56.2
333.24207	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	333.2419
Annotation	Tintinnadiol
Peak:m/z	Relative Intensity
53.03938	1.6
55.05503	18.5
55.54403	1.2
57.03408	1.1
65.03924	1.3
67.05494	32.5
69.03427	6.0
69.07038	9.2
72.58688	1.2
76.55818	1.8
78.92448	1.1
79.05469	34.5
80.25395	1.2
81.07038	68.6
83.04957	9.2
83.08591	10.9
83.34792	1.4
85.02882	1.5
85.06538	1.7
85.32456	1.6
87.04443	13.6
91.05457	39.8
93.07019	64.7
94.17095	1.4
95.04941	7.3
95.08585	47.3
97.06511	5.4
101.05991	8.3
105.07008	80.3
107.08572	58.9
109.06496	6.9
109.10144	22.2
115.05453	2.2
115.14486	1.3
117.06988	19.3
119.08561	55.0
121.06445	2.4
121.10117	35.1
123.07999	1.7
123.11643	2.0
128.06165	2.7
129.06975	18.3
130.66324	1.5
131.08539	59.9
133.09171	2.7
133.10103	51.5
135.08043	10.9
135.11667	40.9
137.05945	11.5
141.06989	6.5
142.07768	2.6
143.08533	35.3
145.10098	54.7
147.11673	40.7
149.09544	2.4
149.13239	12.4
151.11180	3.3
153.09062	5.5
155.08521	15.7
156.09354	5.8
157.10095	33.5
159.11673	57.6
161.09564	2.7
161.13214	36.4
163.11180	3.4
163.14795	2.6
167.07011	13.5
167.08472	2.8
168.09325	2.4
169.10095	21.6
171.11647	30.2
173.13211	27.4
175.14792	14.1
181.10088	11.2
182.10841	3.3
183.11647	25.1
185.13260	24.6
187.11192	8.9
187.14780	18.4
189.12703	2.5
193.12212	1.7
195.11679	14.2
195.13499	1.4
197.13196	25.9
199.14807	16.6
201.12752	2.9
201.16351	5.5
203.14365	5.5
209.13191	13.5
211.14738	12.6
212.03745	1.4
213.16382	8.7
215.14284	7.8
215.17883	11.6
223.14754	24.5
225.16333	8.6
227.14243	1.5
227.17943	11.8
229.15997	1.6
229.19360	2.2
236.15399	2.1
237.16249	13.5
238.17023	1.7
239.17941	23.3
241.15849	2.6
241.19518	12.5
251.17917	11.6
253.19513	11.6
255.17476	5.2
255.21017	21.2
257.18842	10.3
267.21048	12.3
269.19025	6.7
269.22589	18.3
273.22076	1.8
279.17883	2.8
279.20996	86.9
285.22092	6.4
297.22076	100.0
315.23099	81.1
333.24124	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	333.242
Annotation	17alpha-Hydroxypregnenolone
Peak:m/z	Relative Intensity
50.55415	1.4
55.05493	14.2
66.07739	1.4
67.05487	31.7
69.03423	7.8
69.07056	8.0
76.01774	1.5
79.05474	34.7
81.07032	57.3
83.04958	7.9
83.08598	7.6
87.04430	14.3
91.05447	44.9
92.08899	3.2
93.07018	60.1
95.04958	4.0
95.08582	43.3
97.06500	3.0
101.05946	6.2
105.07005	79.6
107.08568	67.4
107.09296	3.0
109.06459	2.6
109.10130	35.0
111.08170	1.5
115.05447	2.7
117.06990	30.3
119.08548	53.4
121.10110	37.0
123.11684	2.1
128.06084	2.1
129.06946	12.8
130.07759	2.7
131.08539	54.5
133.10092	100.0
135.08020	6.6
135.11665	35.4
137.05907	3.3
137.09557	2.4
141.06978	6.8
142.07744	6.1
143.08517	29.4
144.09370	2.5
145.10092	87.0
147.11659	40.6
149.13220	12.4
151.11145	37.8
155.08530	13.1
156.09299	3.4
157.10109	28.4
159.11653	51.6
161.13214	31.3
163.11137	36.3
167.07094	3.8
167.08513	2.6
168.09407	2.7
169.10078	18.0
171.11676	23.5
173.13210	23.0
175.11194	2.2
175.14784	8.3
177.12692	2.8
181.10083	9.1
183.11647	19.7
185.13214	23.8
187.11174	7.2
187.14784	14.5
195.11691	10.4
197.13187	19.7
199.14740	12.3
201.12682	2.9
201.16374	3.2
203.14417	2.7
203.55807	1.7
209.13185	13.2
211.14810	12.3
213.16359	7.6
215.14247	6.7
215.17969	10.8
222.41318	1.7
223.14697	15.9
225.16347	2.5
227.17931	10.0
229.19385	2.3
236.15602	2.3
237.16283	13.7
239.17842	18.6
241.15816	3.0
241.19481	9.9
251.17920	10.1
253.19511	10.0
255.20987	18.8
257.18936	3.6
267.20950	9.0
269.18903	3.8
269.22690	15.0
269.25168	1.9
279.21008	80.2
285.22018	8.2
287.89130	2.1
297.22040	84.3
315.23123	64.4
333.24152	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	333.2419
Annotation	Tintinnadiol
Peak:m/z	Relative Intensity
53.03909	3.1
55.05508	15.2
56.62123	1.8
59.30481	1.8
61.02887	1.9
62.74410	2.0
67.05492	35.2
69.03416	4.7
69.07047	8.6
79.05478	39.6
81.07037	61.0
83.04952	8.6
83.08587	9.0
85.06522	2.1
87.04455	18.3
89.68713	2.5
91.05456	45.1
93.07025	70.0
95.04929	3.4
95.08582	64.9
97.06521	2.7
101.06018	10.4
105.07013	70.0
107.08580	72.7
109.06523	2.1
109.10155	28.6
111.87886	2.2
115.05460	2.4
117.06973	20.1
119.08566	59.7
121.10123	36.9
123.07990	2.6
123.11679	4.2
129.06996	19.8
130.07762	2.5
131.08542	62.5
133.10107	69.4
135.08011	3.9
135.11682	36.8
141.06956	8.6
142.07732	7.9
143.08543	32.6
144.09311	2.6
145.10101	72.7
147.11673	40.4
149.09563	3.1
149.13219	9.4
151.11142	12.7
155.08528	14.7
157.10115	35.0
159.11678	62.1
161.13216	35.3
163.11102	18.4
166.07738	2.1
167.08553	3.7
169.10080	24.5
171.11665	30.0
173.13223	27.2
175.14786	8.2
181.10110	9.7
183.11644	21.7
185.13249	20.2
187.11110	8.4
187.14735	18.1
189.12611	2.5
195.11635	14.4
197.13216	25.6
199.14767	10.4
203.14221	2.3
206.60464	2.2
207.13725	2.4
209.13135	15.8
210.14256	2.3
211.14828	12.8
213.16354	8.5
215.14270	8.3
215.17934	11.9
217.15909	2.7
222.13995	2.3
223.14777	22.0
225.16356	10.1
227.17917	8.6
229.19412	2.4
233.15175	2.0
237.16299	12.7
239.17931	26.8
241.15854	2.3
241.19446	11.5
251.17906	8.3
253.19431	12.9
255.20958	23.6
257.18896	11.4
267.20987	10.7
269.18903	3.5
269.22531	17.2
279.21027	81.6
285.22009	4.6
297.22064	100.0
297.79343	2.4
306.03680	2.4
315.23135	87.2
333.24155	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15847	0.8
66.31031	1.0
79.83463	1.0
160.29405	1.0
161.76065	1.0
195.09915	1.3
333.20276	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	333.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48770	0.7
55.01868	1.0
55.05495	5.6
55.43039	0.8
57.03419	9.4
57.45561	0.7
61.11849	0.9
67.05487	9.7
69.07040	5.6
70.57447	0.8
79.05474	8.4
81.06582	1.7
81.07037	26.3
83.04964	2.3
86.59581	0.8
91.05451	10.3
91.51897	0.9
93.07019	15.2
95.04956	1.1
95.08585	28.4
97.06487	5.7
99.08067	1.9
105.07014	33.2
107.04939	1.4
107.08575	20.4
109.06503	4.4
109.10154	7.4
111.08054	1.9
117.06988	12.6
117.89024	0.9
119.08559	94.9
121.06437	1.6
121.10115	11.0
123.08047	15.9
123.11695	4.7
129.06947	1.9
131.07620	1.8
131.08540	22.9
133.10107	59.6
135.08095	1.3
135.11655	5.3
137.09613	1.4
143.08496	6.4
144.09352	1.1
145.10098	31.8
147.11656	15.0
149.09599	4.3
149.13239	1.6
155.08496	2.2
156.09265	1.3
157.10121	7.0
158.10866	2.1
159.08101	1.1
159.11668	16.4
161.09589	1.9
161.13208	9.1
163.11118	6.0
165.12573	1.2
169.10065	4.4
171.11678	8.5
171.87170	1.0
173.09633	1.1
173.13232	43.3
175.11090	3.6
175.14787	4.8
181.10155	1.3
183.11575	7.9
185.13232	7.4
187.14777	62.2
188.15607	1.4
195.11711	1.4
197.13208	5.2
199.14825	6.0
201.12683	1.1
201.16354	0.9
203.14320	2.1
205.15804	2.1
209.13342	1.5
211.14740	1.8
213.16315	2.0
215.14233	1.9
219.13792	1.3
223.14742	2.0
227.14188	1.5
227.17908	3.7
233.15309	1.1
237.16263	1.8
239.17929	9.6
241.15764	1.7
241.19391	1.5
243.17467	1.3
253.19473	1.1
254.51369	0.9
255.17342	1.1
255.21013	1.6
257.18832	1.6
259.20389	1.5
271.20447	2.3
273.21887	3.6
279.20959	10.7
297.22079	98.8
315.23126	100.0
333.20267	3.9
333.24152	15.4
336.00861	1.0
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
56.05014	6.8
56.96539	1.7
57.07054	6.0
58.06574	2.0
64.60328	1.4
71.08592	1.5
72.43114	1.5
74.06045	6.0
85.10175	1.4
88.07604	28.4
89.07951	2.1
92.08701	2.9
95.08578	1.9
118.08652	3.6
193.05025	1.7
278.54578	1.5
279.94952	1.4
284.29446	14.8
285.29727	12.4
297.21988	1.9
306.38400	1.5
332.31494	23.6
333.16776	5.5
333.20270	100.0
333.31790	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.7
59.04982	2.2
61.16931	0.9
67.05496	5.3
69.03407	5.2
69.07047	1.8
70.17090	1.0
71.04972	4.4
75.03783	1.0
76.65319	1.1
77.98096	1.0
79.05471	5.4
79.83319	1.2
81.07037	8.3
83.08611	2.3
83.46571	1.0
85.06512	4.3
91.05483	2.5
93.07035	9.4
95.04925	4.3
95.08601	10.8
97.06515	1.3
105.07037	10.4
107.08565	6.9
109.06525	2.4
109.10169	4.6
113.05972	1.9
113.32477	1.2
115.02422	1.2
116.46627	1.0
119.08544	9.8
121.10121	5.4
123.08045	11.9
131.08549	5.8
133.10107	7.0
135.07915	1.3
135.11679	4.1
143.08572	2.4
145.03453	6.2
145.10129	8.9
147.11687	7.9
157.10115	6.1
159.11665	10.4
161.13229	7.5
168.05078	2.2
169.10110	1.3
170.71919	1.0
171.05040	5.3
171.11617	2.1
173.13306	2.1
175.14674	1.2
183.11638	2.0
185.13382	1.3
187.14787	8.5
195.09915	1.2
197.13223	4.3
199.14963	2.0
203.14287	1.3
203.49677	1.0
205.15988	2.1
209.13171	1.1
211.14914	1.4
223.14647	1.7
241.15865	1.9
245.19038	2.3
253.19510	5.8
255.17267	1.3
255.21021	1.4
279.21133	5.7
297.22073	24.7
315.23077	28.7
333.20316	100.0
333.23691	4.7
334.29626	1.3
339.23184	2.4
355.95792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75797	2.9
55.05487	3.4
56.96549	4.1
64.33846	3.7
67.05526	4.6
69.07048	4.2
78.06524	3.1
81.07021	3.8
88.34366	3.1
92.97896	3.0
97.23576	2.9
105.07002	5.6
116.98553	4.5
134.75424	3.3
140.52162	3.9
149.06023	3.9
194.39069	3.4
242.07404	3.8
249.18112	3.2
255.95277	3.2
277.98294	3.4
300.90121	3.6
304.11334	3.2
314.94577	3.4
333.16769	11.2
333.20242	100.0
336.03549	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	333.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20651	0.8
55.05498	1.2
56.96286	2.2
56.96552	55.0
57.07059	2.1
60.46504	1.1
64.76125	0.9
67.05473	6.1
69.07034	5.4
71.95235	9.9
72.13210	1.0
74.97572	3.9
81.07021	5.0
84.96028	2.0
92.98600	1.7
93.07033	1.3
97.10121	1.2
97.96786	2.2
98.97514	1.4
107.08556	1.1
109.10123	5.3
110.97546	13.3
115.97806	2.5
116.17496	1.2
116.98512	1.9
119.08575	1.9
121.43694	1.0
123.01146	4.3
128.98575	31.4
131.00041	1.4
133.98851	1.7
134.99562	1.0
140.98402	2.2
141.02150	1.3
143.00098	1.9
146.98567	2.0
146.99620	30.7
149.01120	1.0
149.02287	1.1
151.04266	1.2
155.03745	2.0
161.01190	6.7
165.00685	7.7
167.03731	1.0
169.01645	1.0
171.03218	1.9
173.11636	4.4
174.98988	1.4
175.02725	2.2
179.02206	4.0
189.00534	1.1
189.04274	5.3
193.05080	3.7
203.05885	2.3
209.04655	1.2
225.08012	1.7
230.88957	1.1
237.09991	1.3
241.11086	1.7
245.10483	2.0
259.12100	1.9
263.09460	7.1
277.10928	1.6
289.10870	1.6
303.12589	4.8
315.16223	50.6
331.15707	6.2
332.31415	1.7
333.17230	100.0
349.16821	1.6
351.18262	22.8
356.18988	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	333.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93515	13.1
57.07077	2.8
67.05503	11.7
70.95839	4.1
72.93777	16.1
79.05468	3.6
81.07038	3.5
90.94804	16.3
91.05471	13.4
93.07010	5.2
104.72125	2.2
105.07008	5.8
108.95874	3.5
117.06982	3.2
119.08575	3.0
125.13750	2.7
134.97513	2.8
144.99519	3.6
164.99965	11.9
165.97150	3.8
179.01631	3.1
183.98174	4.0
187.00317	3.2
213.03638	4.3
227.05258	3.9
281.09766	6.4
329.12006	10.5
331.13406	11.5
333.15009	100.0
333.27716	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	333.133
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
51.02340	0.5
52.48427	0.5
55.05495	0.9
57.03417	0.7
59.77237	0.5
60.29735	0.6
67.05501	0.7
68.43335	0.6
69.03413	1.0
69.49127	0.7
78.04680	3.2
79.05458	3.2
81.07028	3.4
81.52888	0.6
83.04958	1.1
85.02879	1.3
86.09682	1.3
87.56749	0.6
91.05431	2.8
92.63774	0.7
93.07032	0.9
94.04148	3.1
95.04965	2.6
98.97552	1.0
103.05425	0.7
105.07018	0.9
106.04160	1.0
107.04927	0.8
121.06514	1.0
122.03619	10.9
123.04413	12.8
124.05172	4.1
137.05954	100.0
144.64616	0.6
147.04367	1.2
151.03862	5.9
151.07474	0.9
152.04602	3.7
153.05479	1.2
153.06931	1.3
153.09102	2.8
163.03845	0.8
165.06978	2.9
166.00076	0.7
167.06999	94.2
169.06383	1.0
181.06500	1.0
183.08041	2.6
198.53719	0.8
211.07465	3.2
255.10081	0.8
271.09473	0.9
288.09772	5.1
333.14221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1328
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
53.03931	0.3
55.01862	0.4
62.39442	0.2
63.99414	0.2
65.03908	0.3
78.04688	4.7
79.05470	2.2
79.92677	0.3
81.07022	1.4
81.61639	0.3
86.09691	0.4
89.50538	0.3
91.05445	2.3
93.03349	0.3
93.07031	0.3
94.04144	3.6
95.04932	1.4
99.04408	0.4
105.03339	0.3
105.07011	0.6
106.04161	2.3
107.04945	1.2
109.02842	0.5
109.06494	0.6
111.04428	0.6
111.08064	0.3
119.04902	0.5
121.06461	0.3
122.03620	11.5
123.04408	10.4
124.05171	3.8
130.06532	0.3
131.04883	0.7
133.80789	0.3
134.03598	0.5
135.08005	0.5
136.65363	0.3
137.05949	100.0
138.06340	0.3
147.04434	0.4
151.03911	2.3
151.07501	0.7
152.04663	3.0
152.06224	0.4
153.05357	0.3
153.06912	1.2
155.08569	0.4
161.05997	0.4
165.05664	0.4
165.07005	2.8
167.06998	89.3
167.60367	0.3
167.87831	0.3
168.05609	1.2
171.10205	0.4
177.09000	0.3
179.04807	0.3
179.06929	0.3
181.06432	0.6
182.07190	0.3
183.07977	1.9
195.07983	0.3
196.05112	0.4
197.05777	0.4
199.07407	0.4
209.05693	0.3
210.06760	0.5
211.07449	2.6
223.03946	0.4
227.06984	1.4
239.06879	0.4
243.10117	1.3
255.06390	1.1
255.10146	0.7
271.09586	1.6
272.10248	0.4
283.09549	1.8
288.09897	5.0
303.12125	1.4
315.12262	0.6
333.14142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01861	0.3
56.96554	1.2
57.03428	3.3
57.33631	0.3
59.40419	0.3
61.02923	2.7
65.03921	0.6
67.05489	2.4
69.03061	0.5
69.03415	9.3
71.04983	3.2
73.02912	3.1
79.05485	0.5
81.03409	4.5
81.05807	0.3
81.07031	0.7
82.01884	0.3
84.96021	0.4
85.02892	7.9
87.04458	2.9
91.03959	0.3
92.05016	0.4
92.08934	0.6
93.05755	0.5
95.91518	0.3
96.08107	0.6
97.02867	3.3
97.96767	1.4
98.97578	0.5
99.04454	1.4
100.05210	3.6
106.06538	5.2
108.08102	100.0
109.02872	1.6
110.97475	0.4
117.02029	0.4
121.26022	0.3
123.06793	5.1
124.07572	18.8
127.03896	1.5
131.00171	0.6
133.03296	0.5
134.05986	13.7
136.07556	10.3
137.08318	0.4
142.03865	1.7
151.04367	2.9
152.07043	71.2
153.07475	0.3
154.08629	1.2
157.01733	1.2
170.08064	4.2
170.09285	0.4
173.01230	0.7
175.02724	0.7
185.01260	0.3
189.41901	0.3
191.02254	0.5
193.26195	0.3
228.07491	6.5
233.02997	0.4
235.25258	0.4
237.08069	0.5
249.07996	0.3
265.05975	4.0
283.06995	2.6
306.06216	1.4
314.08600	0.5
314.12277	19.2
332.13330	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43972	0.3
53.03938	0.4
54.81866	0.3
55.01864	0.4
55.91976	0.2
57.03420	0.5
61.02909	1.5
62.81008	0.2
69.03410	3.2
71.04973	0.3
72.08137	0.3
73.02905	0.5
74.06065	0.3
79.05492	3.1
81.03394	1.6
85.02889	12.0
85.74201	0.3
86.09683	0.3
91.03938	0.5
92.09354	0.4
94.28291	0.2
95.04953	4.3
97.02875	3.1
97.71190	0.3
105.03379	0.6
107.04940	100.0
109.02868	0.6
127.03917	1.4
135.04398	23.2
135.08041	0.4
138.26521	0.3
145.04942	1.0
153.05449	27.8
156.17697	0.3
163.03854	0.3
167.06973	0.4
325.73941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
53.26203	0.2
54.81473	0.2
55.01863	0.2
57.03425	1.4
57.03708	0.2
61.02917	2.0
69.03416	3.6
71.04972	0.3
72.30655	0.2
73.02905	0.4
77.03876	0.2
79.05467	2.1
81.03393	1.6
84.04500	0.5
85.02892	12.3
86.09696	1.3
92.08702	1.0
92.09316	0.8
95.04948	4.2
95.56252	0.3
97.02898	3.1
99.04433	0.3
103.80692	0.3
105.03361	0.3
107.04942	100.0
109.02868	0.4
127.03901	1.4
130.06548	0.4
135.04396	18.1
135.54073	0.2
145.04938	1.1
152.10719	1.1
153.05447	27.4
157.07661	0.3
158.05963	0.4
170.11742	0.4
187.14438	0.4
224.49155	0.2
332.13962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.13914	0.6
52.71622	0.7
54.18940	0.7
57.03421	1.5
61.02908	1.5
65.13061	0.8
67.05479	1.1
69.03403	7.3
72.84779	0.8
81.03386	1.4
84.08147	1.0
85.02880	7.0
86.09719	1.0
87.04432	1.4
97.02860	1.9
106.06544	6.7
108.08101	100.0
109.02802	1.0
123.06788	2.1
124.07555	17.3
126.74721	0.8
133.62154	0.9
134.06000	10.5
136.07558	11.9
152.07042	64.9
170.08084	4.9
178.47227	0.9
246.75049	0.9
314.12253	18.7
332.13312	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
53.00308	1.1
55.05506	13.8
55.50625	0.6
57.03432	8.9
57.07069	100.0
67.05132	1.1
67.05492	26.1
69.07054	16.9
71.08619	56.7
71.72314	0.7
75.04462	1.0
79.05445	1.0
81.06593	1.4
81.07039	29.1
83.08607	15.6
85.10169	24.5
89.06041	1.0
92.09312	0.7
93.06995	0.8
95.08584	43.7
97.10131	7.3
99.08002	0.7
101.10741	0.9
107.08456	0.8
109.10146	16.0
111.11725	0.9
123.11679	4.4
125.13217	0.8
153.09732	0.8
239.23643	11.5
257.24667	3.1
313.27319	32.1
335.93030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.3
53.93866	0.7
55.05505	15.1
57.03428	6.2
57.07070	100.0
64.33783	0.8
65.97718	0.7
67.05141	1.0
67.05498	31.3
67.66797	0.7
68.05836	3.1
69.07057	15.3
71.05005	3.0
71.08618	53.8
75.04463	1.1
77.71811	0.9
79.05500	1.6
81.07039	29.4
82.07384	1.1
83.08611	16.0
85.02873	0.8
85.06525	1.3
85.10172	25.2
85.10607	1.0
86.11681	0.7
89.36385	0.7
93.07034	1.8
95.08593	43.2
95.09205	1.5
95.70167	0.7
97.10152	5.9
98.07498	0.7
99.11726	0.9
100.02509	1.0
105.07036	1.1
109.10143	19.8
110.10490	3.3
111.11739	1.4
123.11701	5.7
137.13242	1.6
155.10634	0.8
161.13322	0.9
164.98064	0.8
173.11716	4.3
174.11990	2.9
204.72197	0.8
239.23662	17.4
257.24777	3.8
313.27350	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2474
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.01865	3.8
55.05502	48.3
57.03427	4.0
57.07053	2.6
62.49602	1.5
67.05141	4.0
67.05490	99.0
69.03407	3.1
69.07052	44.8
69.31217	2.0
71.04971	25.7
74.00192	1.7
76.19347	1.6
79.05006	1.7
79.05474	71.0
81.07038	83.1
83.04958	7.5
83.08578	19.3
85.06541	14.5
91.05460	36.9
92.08795	14.9
93.07025	100.0
95.04937	4.7
95.08585	96.0
97.06511	13.3
97.10159	18.3
99.08081	8.0
105.07001	25.5
107.08575	50.5
109.06521	2.0
109.10132	34.3
111.08038	3.4
113.09621	4.1
117.06993	12.1
119.08564	18.9
121.10117	56.3
123.08067	4.1
123.11664	7.9
125.09605	10.8
129.06950	2.8
131.08533	15.4
131.10654	2.7
133.10147	16.7
135.11662	31.7
139.11168	11.1
143.08534	3.9
143.93123	1.9
145.10107	14.6
147.11671	15.9
149.13223	7.8
157.10052	2.1
159.11633	3.4
161.13258	4.5
165.06941	2.9
167.10684	2.7
170.90977	1.9
171.11624	2.8
173.13240	3.4
185.11737	3.1
185.13254	3.3
189.11220	2.8
195.13899	3.7
203.12788	2.9
221.15417	2.5
241.19499	3.6
259.20615	13.8
277.21564	46.3
295.22736	22.7
313.23654	11.9
331.11646	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	331.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40429	1.0
53.00294	1.1
53.03935	1.8
55.01862	7.0
55.05504	42.6
57.03429	2.3
57.07067	2.4
58.91483	1.0
59.04981	1.3
65.72838	1.3
67.05492	100.0
69.03400	1.9
69.06709	2.3
69.07053	41.9
71.04976	23.0
75.52123	1.3
79.04998	1.5
79.05473	56.0
81.07035	89.1
83.04955	11.0
83.08612	13.0
85.06521	12.1
89.81905	1.5
91.05457	33.7
93.07023	88.2
95.04963	5.3
95.08583	96.3
97.06504	13.2
97.10145	23.0
99.08048	6.0
99.54778	1.2
105.07009	25.8
106.92001	1.2
107.04969	1.6
107.08573	45.7
109.06518	6.5
109.10143	32.9
111.08073	5.2
111.11700	1.6
113.09629	5.1
117.06979	5.9
119.08571	19.8
121.06468	4.2
121.10115	55.9
123.08047	5.3
123.11693	6.9
125.09584	11.0
129.06970	4.9
131.08537	11.5
131.10689	1.8
133.10089	13.7
135.08060	2.9
135.11670	34.5
137.05975	2.0
137.09605	2.8
137.13223	1.3
139.11151	10.0
141.06976	1.6
143.08548	2.9
145.10123	10.7
147.11679	13.0
149.09628	6.0
149.13264	6.9
151.11180	1.6
157.10133	4.9
159.11690	2.8
161.13228	2.7
165.12686	1.4
171.11682	5.9
173.11812	1.5
173.13240	2.5
175.14807	2.2
177.12737	2.2
181.06384	1.7
185.11722	7.0
185.13234	2.3
189.11333	2.2
201.14815	1.8
213.05505	1.6
227.06955	1.5
228.07814	1.5
230.63100	1.3
236.15198	1.4
241.19417	2.8
259.20502	15.7
277.21542	46.3
295.22699	21.5
307.21512	1.5
313.24014	10.0
331.11728	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	331.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16476	2.0
50.97400	1.9
53.00272	2.3
53.03918	2.4
55.01856	13.4
55.05504	30.2
57.03406	4.3
57.07055	5.6
57.60253	2.1
67.05142	3.7
67.05489	79.6
69.03400	3.4
69.07049	74.6
71.04965	14.6
79.05469	76.4
81.03422	3.4
81.07034	83.3
83.04950	15.2
83.08582	18.0
85.02898	4.2
85.06516	12.2
91.05456	56.2
93.07025	100.0
95.04935	12.5
95.08581	80.2
97.06509	28.2
97.10129	9.7
99.08020	3.1
99.46770	2.6
100.61886	2.1
105.07015	55.1
107.08578	62.4
109.06488	12.3
109.10122	23.5
111.08068	8.9
117.06984	15.9
119.05585	2.2
119.08561	53.1
121.06504	4.2
121.10105	52.2
123.08047	69.4
123.11684	6.0
128.06194	2.4
129.06953	10.7
131.08545	27.4
133.06430	3.7
133.10109	30.6
135.07997	9.9
135.11668	38.5
137.09575	18.2
137.13184	5.0
139.07536	3.1
139.11130	15.9
143.08524	9.7
145.10086	16.2
147.08051	10.8
147.11633	11.1
149.09579	16.0
149.13266	5.7
151.07507	11.6
153.12750	5.7
155.08414	3.2
157.10063	19.4
157.12288	3.6
159.11658	19.1
161.09557	5.5
161.13257	11.7
163.11142	3.6
163.14659	4.1
165.06956	3.0
165.09067	3.1
169.10054	3.5
171.11606	12.5
173.13260	4.4
175.11064	4.3
175.14796	9.7
177.12637	2.4
178.06203	2.5
185.13239	8.8
193.15834	3.0
199.14856	3.1
204.98608	2.5
209.22650	2.8
235.08992	2.8
237.16362	2.4
241.19449	9.2
247.20976	2.7
259.20517	12.9
277.21625	52.6
295.19702	4.0
295.22919	43.7
313.21027	8.4
313.24170	5.0
331.11633	15.6
331.22272	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	331.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.01870	10.1
55.05505	26.8
57.03432	4.4
57.07063	4.4
62.67261	1.9
63.57666	1.8
67.05494	68.8
69.07057	67.0
71.04977	12.2
73.06551	2.1
79.05474	76.1
81.03397	4.6
81.07042	92.3
83.04964	8.4
83.08629	15.3
85.06521	12.5
85.52160	2.2
91.05463	49.1
93.07027	100.0
95.04945	8.5
95.08591	69.3
97.06524	26.4
97.10139	7.5
105.07019	50.3
107.04925	2.5
107.08586	61.7
109.06501	14.4
109.10133	20.2
111.08067	7.5
117.07002	13.3
119.08564	56.0
121.06494	2.4
121.10131	51.8
123.08055	47.6
123.11696	8.9
129.06955	11.1
131.08537	24.4
133.06467	3.5
133.10112	27.3
135.08028	13.1
135.11674	32.5
137.09601	12.1
137.13235	8.6
139.11131	15.2
143.08565	13.5
145.10107	13.2
147.08081	4.1
147.11653	11.7
149.09593	10.4
149.13287	4.5
151.07524	10.5
153.12740	3.6
155.08406	2.5
157.10101	11.5
159.11722	15.1
161.09583	8.8
161.13190	4.7
163.11182	3.5
163.14821	2.3
165.06970	2.9
168.88480	2.2
169.10172	4.5
171.11656	12.5
173.13254	4.3
175.11224	3.0
175.14807	8.2
179.80716	2.2
181.10020	2.3
185.13254	4.9
187.11169	2.1
189.12860	2.4
199.14853	2.4
207.71432	2.3
241.19482	13.0
251.17896	3.7
259.20569	11.1
277.19049	3.4
277.21664	56.9
286.22058	2.6
295.19720	2.7
295.22855	40.6
313.21158	5.2
313.24197	4.5
331.11780	10.6
331.22394	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	331.2265
Annotation	(+)-Phomopsidin
Peak:m/z	Relative Intensity
53.03917	2.6
55.01858	2.3
55.05507	20.2
56.05106	1.9
64.89771	2.1
67.05486	30.3
68.94093	2.0
69.03428	2.7
69.07045	12.5
71.92245	2.1
79.05463	32.8
81.07037	73.4
83.04964	2.9
83.08593	29.5
87.58070	2.3
91.05466	38.8
92.09370	3.1
93.07026	72.2
95.04928	5.2
95.08583	64.5
97.06525	22.5
105.06444	3.4
105.07014	89.9
107.08579	56.2
109.06487	20.5
109.10164	27.6
117.06999	10.8
119.08566	49.3
121.06493	5.2
121.10139	30.0
121.10925	3.7
123.08046	9.8
123.11684	3.0
129.06996	11.3
131.08534	46.7
133.06461	42.1
133.10106	34.4
135.11665	28.1
136.18826	2.9
137.05956	5.1
143.08546	15.3
145.06531	3.7
145.10100	37.2
147.08025	4.3
147.11679	45.4
149.09592	28.1
149.13232	25.1
151.07513	47.9
153.06984	3.0
155.08574	3.8
157.10117	18.5
159.11658	32.0
161.09682	7.4
161.13225	39.4
163.07474	4.1
165.09108	4.1
167.10661	3.3
169.10104	5.5
171.11667	22.0
173.13231	21.4
175.14766	42.8
177.09152	22.2
183.11649	5.2
185.09610	5.2
185.13203	20.6
187.14767	11.2
191.10754	3.1
195.10130	46.1
195.11711	5.6
197.13274	10.4
199.14819	11.6
201.16322	3.5
203.10713	12.0
203.14270	3.5
205.12326	2.7
211.14746	9.6
213.12639	3.7
213.16457	3.2
217.25941	2.6
221.11501	4.6
221.13376	3.0
227.18051	3.1
231.13739	4.1
249.14798	4.2
251.18097	3.4
253.19472	23.5
255.21025	22.6
257.22449	5.4
267.21048	40.7
277.19403	3.6
285.22012	23.2
295.20593	32.2
313.21539	86.5
331.11746	8.5
331.22626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2264
Annotation	17-Hydroxypregnenedione
Peak:m/z	Relative Intensity
50.90158	2.1
55.01839	3.1
55.05510	21.8
56.96543	11.4
61.02888	3.2
67.05500	21.2
69.03396	11.6
69.07058	21.3
70.06567	21.7
71.04967	3.8
72.08134	3.5
79.05476	31.5
81.07027	32.5
83.04953	16.3
85.02858	6.0
86.09676	19.4
87.04427	21.3
88.41720	2.9
91.05471	42.0
92.09184	5.6
92.64308	2.9
93.07017	48.1
95.04920	6.5
95.08570	30.8
97.02871	6.2
98.97548	17.1
101.06004	30.9
105.07005	87.2
107.04893	4.6
107.08576	49.6
109.02897	3.3
109.10128	13.9
111.04396	7.0
116.98591	6.4
117.06982	30.0
118.10077	2.7
119.08553	45.9
121.10099	14.9
128.06224	7.2
128.98592	4.5
129.06972	15.3
130.07753	3.4
131.08542	51.9
133.10081	38.9
135.11665	4.8
137.05949	5.2
140.07034	11.8
141.06906	4.3
142.07739	15.0
143.08546	31.7
143.10304	3.1
144.09230	4.2
145.06406	5.5
145.10107	57.8
147.08012	3.1
147.10611	3.0
147.11682	18.9
149.13318	3.7
151.03909	3.6
155.08504	14.2
156.09290	4.6
157.10078	54.6
158.10854	3.6
159.11652	61.7
161.13210	12.1
163.11130	3.7
167.06992	12.6
167.08382	3.5
168.09293	4.0
169.10008	21.3
171.11603	29.6
172.03853	3.6
173.13222	29.0
180.09401	3.6
181.04953	7.0
181.06471	4.7
181.10095	5.1
183.11653	23.7
184.12422	4.1
185.13185	18.4
187.11200	3.3
189.12646	3.3
190.04950	11.5
195.11630	13.3
197.05876	3.7
197.13235	18.2
199.11115	4.0
199.14772	13.3
201.12704	5.8
205.12225	3.9
209.13229	7.0
211.14714	6.1
213.16327	14.2
219.13734	44.7
221.13231	5.8
223.14795	3.9
225.16211	4.8
227.17899	6.9
237.16325	3.2
239.17911	6.0
245.18575	3.3
249.11092	6.4
253.19464	12.9
267.21021	5.5
277.19397	17.9
295.20477	20.9
311.09631	4.0
313.21533	100.0
320.10016	5.5
331.12054	3.9
331.22565	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2261
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
53.77814	0.7
55.05499	5.2
57.03428	6.7
63.06488	0.6
63.18855	0.6
67.05502	8.0
67.07462	0.7
69.03416	1.1
69.07065	3.3
70.93432	0.7
71.04920	0.8
71.66022	0.7
79.05488	7.3
81.07039	15.7
82.20810	0.7
83.04957	5.2
91.05455	10.4
93.07014	13.3
95.04935	1.7
95.08580	21.9
95.43284	0.9
97.06503	13.5
105.07014	26.8
107.04913	3.5
107.08566	10.6
109.06497	32.6
109.10132	9.6
111.08067	0.9
117.07005	7.6
119.08558	40.1
121.06493	7.0
121.10112	9.9
123.08031	11.3
123.11715	5.9
129.06987	4.6
131.08522	14.9
131.27727	0.8
133.06497	3.6
133.10100	39.1
135.08054	6.9
135.11662	6.9
137.09567	2.0
141.06931	1.9
142.07761	2.0
143.08553	14.8
144.09326	1.3
145.10095	21.9
147.08005	6.8
147.11678	9.7
149.09569	6.1
149.13237	2.0
155.08548	7.9
156.09285	8.5
157.10117	9.7
159.08116	1.3
159.11667	15.2
161.09546	9.5
161.13223	8.1
163.11136	5.4
163.14764	0.9
167.08549	1.2
169.10060	8.1
170.10797	1.3
171.11649	57.2
173.09604	3.4
173.13223	12.5
175.11116	7.1
175.14828	4.6
176.64781	1.0
177.12697	3.3
179.08492	0.8
181.10057	4.5
183.11649	9.5
184.82883	0.8
185.13223	7.5
187.11162	3.1
187.14767	2.0
189.12711	4.6
191.14238	1.0
192.83154	0.9
193.10094	3.4
195.11679	4.9
196.12364	1.3
197.11673	1.3
197.13202	9.7
199.11124	3.8
199.14751	5.9
201.12700	3.5
201.16380	0.9
203.14255	1.4
206.11023	1.0
207.11703	4.4
209.13254	3.8
211.10994	1.1
211.14830	5.8
213.12688	1.1
213.16345	5.7
215.14294	3.3
217.15865	1.3
219.13763	1.0
221.13182	4.0
223.14702	1.3
225.12717	1.4
227.14354	1.7
233.13295	1.0
235.14806	3.3
237.16344	9.4
239.14285	3.7
239.17950	1.5
241.15924	1.0
247.14732	1.4
248.15591	1.3
250.88219	0.9
251.14203	1.0
251.17848	1.9
253.19426	16.3
255.17387	6.9
257.18973	4.4
262.17282	1.6
267.20996	3.2
269.18985	3.5
271.20459	11.5
277.19528	11.4
280.18329	1.5
285.21933	1.1
295.20499	46.2
313.21548	100.0
321.96738	0.9
331.22552	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2264
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
55.01869	1.2
55.05498	3.7
57.03420	7.3
63.85777	0.7
67.05486	11.1
69.07057	3.4
70.26876	0.7
79.05484	8.5
81.07035	16.7
83.04946	3.2
85.06510	1.1
91.05449	10.3
92.08918	1.9
93.07027	13.6
95.04951	1.9
95.08587	19.5
97.06500	12.3
105.07005	28.1
105.07658	1.5
107.04950	3.5
107.08551	10.4
109.06491	33.8
109.10136	8.2
111.08028	3.2
112.55762	1.0
115.05303	1.1
117.06993	6.2
119.08546	40.4
121.06463	5.5
121.10105	5.6
123.08033	11.0
123.11681	4.5
128.06165	1.3
129.06976	4.9
131.08528	14.5
133.06441	4.2
133.10100	35.8
135.08047	6.1
135.11647	3.7
137.09613	3.5
141.06998	1.5
142.07771	3.4
143.08539	16.3
144.09329	0.9
145.06441	0.9
145.10097	20.5
145.31003	0.9
147.08044	5.1
147.11662	9.1
149.09604	5.0
149.13257	1.1
155.08531	5.4
156.09337	8.1
157.10091	13.7
159.07962	1.8
159.11673	15.9
161.09552	9.3
161.13246	8.3
163.11150	4.0
168.09309	0.9
169.10088	10.8
171.11652	50.5
173.09566	4.5
173.13222	12.7
175.11092	3.6
175.14796	5.9
177.12700	1.9
179.08556	1.2
181.10074	3.3
182.10869	1.1
183.11604	9.8
185.13232	5.0
187.11186	3.7
187.14690	1.7
189.12704	7.0
193.10092	2.0
195.11642	4.7
197.13220	6.6
199.11159	4.9
199.14772	3.5
201.12666	3.2
203.14247	3.2
207.11716	3.4
209.13229	1.8
211.14851	3.6
213.16385	7.4
215.14307	4.6
221.13194	4.3
225.16377	1.2
227.14226	1.5
233.13225	1.3
235.14761	2.0
237.16388	6.3
239.14244	3.4
239.17822	1.1
241.15738	1.1
248.15303	1.3
251.17886	3.7
253.19455	15.5
255.17450	5.8
257.18869	4.5
269.18845	3.4
271.10648	1.2
271.20535	9.7
277.19492	12.2
280.18076	2.1
295.17224	1.8
295.20505	47.0
302.63959	0.8
313.21552	100.0
331.11649	1.0
331.22568	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	331.2264
Annotation	Cannabielsoin
Peak:m/z	Relative Intensity
50.20884	0.8
55.05498	5.2
59.35825	1.0
61.02904	5.0
67.05487	12.3
69.07053	5.0
79.05485	12.6
81.07035	13.9
83.04974	7.5
91.05450	12.7
93.07022	20.0
93.16101	0.9
95.04938	1.9
95.08582	21.2
97.06506	22.0
97.99499	0.9
99.62596	0.9
104.91334	1.0
105.07002	19.9
107.04950	2.4
107.08574	18.2
109.06519	5.8
109.10123	7.0
117.07004	10.2
119.08567	13.1
121.06567	1.8
121.10088	7.8
123.08054	1.1
123.11622	1.3
125.45285	1.0
129.06993	3.7
130.07800	1.2
131.08553	35.8
133.06487	1.2
133.10110	30.0
135.08011	1.7
135.11674	26.8
142.07692	1.3
143.08485	5.0
145.10091	7.6
146.77312	1.1
147.08061	4.9
147.11697	4.3
149.09599	6.5
149.13300	3.6
155.08505	2.1
157.10110	6.2
159.07993	1.6
159.11644	29.4
161.09573	10.3
163.11140	6.7
165.71469	1.1
169.10143	1.9
171.11700	2.5
173.09592	6.8
173.13237	1.1
175.11119	10.8
177.12675	10.4
183.11595	3.8
185.13217	1.3
189.12735	1.6
193.10158	1.2
195.11685	2.6
195.13629	1.4
209.13147	1.5
211.14801	1.2
251.17831	1.7
271.20566	1.7
295.20407	2.2
313.21631	6.4
331.22623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2265
Annotation	(+)-Phomopsidin
Peak:m/z	Relative Intensity
55.01865	2.1
55.05499	12.5
56.31823	1.3
57.03417	1.5
61.02895	1.4
65.03941	1.6
67.05495	29.5
69.03436	3.4
69.07060	14.2
71.04987	2.3
79.05475	33.9
80.67555	1.7
81.06590	3.1
81.07037	58.7
83.04962	7.5
83.08595	9.3
85.06528	9.6
87.04456	2.0
89.66376	1.6
91.05460	32.2
93.07021	58.0
95.04927	15.0
95.08585	43.9
97.06509	15.1
101.06002	2.4
105.03369	2.3
105.07011	86.5
107.04935	3.4
107.08568	53.2
109.06525	14.3
109.10138	13.8
111.08059	3.6
115.05416	3.2
117.06980	16.7
119.08563	48.5
121.06493	10.6
121.10078	18.1
123.08045	18.0
123.11700	3.1
128.06198	3.2
129.06970	20.7
130.07809	2.4
131.08540	38.9
133.06497	19.3
133.10098	41.6
135.08018	19.7
135.11659	13.1
137.05968	7.6
137.09587	6.8
141.06978	7.3
142.07762	9.0
143.08540	42.0
145.10101	60.6
147.08054	9.3
147.11670	33.2
149.09641	7.6
149.13251	14.2
151.07527	17.6
151.11214	2.6
153.07033	2.5
153.09109	3.1
155.08528	21.7
156.09332	8.8
157.06435	2.0
157.10086	40.2
159.08073	2.0
159.11664	57.3
161.09529	3.3
161.13239	27.1
163.60074	1.5
165.06958	6.2
165.09113	2.0
167.08522	8.3
168.09337	2.5
169.10091	30.9
169.14528	1.5
170.10875	3.5
171.11658	49.0
173.09682	2.3
173.13200	21.0
175.14798	18.5
177.09120	2.1
179.08574	4.0
180.09520	1.9
181.06490	3.3
181.10129	10.5
182.10918	3.1
183.08054	2.6
183.11676	28.6
185.09654	3.6
185.13196	31.0
186.14209	2.0
187.11171	9.8
187.14839	8.1
189.12738	6.4
193.10179	4.1
195.10104	7.4
195.11705	16.7
196.12431	2.7
197.13254	26.3
199.11179	2.7
199.14819	13.7
201.12706	3.7
201.16368	16.8
203.14288	3.5
206.10948	3.3
207.11623	3.7
209.13251	11.0
211.07596	3.7
211.11246	1.9
211.14777	16.1
213.12756	3.0
213.16420	8.4
215.14275	3.3
219.13800	3.1
221.13272	13.9
223.07539	2.0
223.14778	3.7
225.09207	1.8
225.12796	2.3
225.16299	23.9
227.14270	3.5
227.17938	6.6
229.15819	3.0
231.13786	3.3
232.16188	1.9
235.14824	9.8
237.16330	21.1
239.14236	4.1
239.17905	2.6
241.15797	2.7
243.17438	10.6
249.16510	2.7
251.17891	10.7
253.15904	7.5
253.19444	39.6
255.17387	6.6
255.20959	3.1
265.19507	8.1
267.20944	20.5
269.18970	7.9
271.20490	26.1
277.19525	22.4
283.20499	9.9
285.22110	8.1
295.20474	83.1
313.17902	3.8
313.21558	100.0
331.11664	20.8
331.22607	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2263
Annotation	(+)-Phomopsidin
Peak:m/z	Relative Intensity
54.49210	3.1
54.81686	5.6
55.05496	16.0
55.59863	3.0
56.24376	3.6
58.55582	3.4
67.05488	23.8
68.95563	3.5
69.07022	4.4
79.05476	32.4
81.07041	41.6
83.04962	4.1
83.08597	5.8
85.06525	9.9
91.05457	29.4
93.07017	47.6
95.08600	34.6
97.06509	16.3
99.98169	4.3
103.05415	3.7
103.86581	4.1
105.06997	61.9
107.08591	53.5
109.06516	19.4
109.10130	8.2
111.04471	6.4
115.05429	4.8
117.06990	26.7
119.08567	49.4
121.06458	5.1
121.10084	9.1
123.08044	22.0
128.06209	4.3
129.06964	20.8
131.08536	45.4
133.10104	26.9
135.08060	9.3
135.11717	7.1
137.09550	4.4
141.07004	6.0
142.07726	9.1
143.08531	45.4
145.10112	79.8
147.11679	33.1
149.09627	5.5
155.08536	26.5
156.09227	4.6
157.10097	47.6
159.11662	45.0
161.13216	16.9
165.06950	4.8
167.08557	6.7
169.10109	28.9
171.11668	38.8
173.13264	14.9
179.08592	5.7
181.10110	6.3
183.11697	23.6
185.13202	32.2
187.11153	5.7
195.11737	9.7
197.13304	35.1
199.14792	8.4
201.16371	9.4
203.14261	4.4
207.11734	5.1
209.13248	9.4
211.14755	17.0
213.16492	9.6
221.13251	6.9
223.14861	4.7
225.16400	19.9
237.16393	37.6
238.80289	3.8
239.14290	5.9
243.17448	4.9
251.18057	6.6
253.19421	51.8
255.17596	5.4
260.70798	4.7
267.21036	16.2
269.18890	17.2
271.20526	26.6
277.19388	19.5
295.20462	75.3
313.21530	100.0
331.11838	9.4
331.22690	55.1
350.15024	4.1
352.48068	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	331.2264
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
51.60059	1.9
55.01823	2.1
55.05496	13.2
67.05473	22.7
68.54248	2.2
69.03411	3.0
69.07037	4.9
71.04967	25.1
75.32782	2.2
78.02728	2.6
79.05482	22.1
81.07038	54.0
83.08608	10.2
85.06532	25.7
91.05469	36.6
93.07022	57.3
95.04929	3.4
95.08599	31.3
97.06508	3.6
97.88087	2.3
105.07020	69.6
107.08575	31.4
109.06509	9.6
109.10133	12.4
111.08064	100.0
113.06002	12.2
117.07000	15.7
119.08566	36.4
121.06516	3.2
121.10118	13.9
123.08043	5.9
125.09558	2.7
128.06184	2.9
129.06978	15.3
131.08537	28.6
133.06490	4.6
133.10106	36.0
135.11642	3.2
142.07756	8.5
143.08539	22.3
145.10114	46.3
147.11687	12.8
149.09602	3.9
151.11133	3.1
153.09085	14.1
155.08543	12.2
156.09297	3.9
157.10121	36.5
159.11673	28.6
161.09573	3.0
161.13208	26.8
163.11194	3.0
165.06935	5.5
169.10098	15.9
171.11595	24.0
173.13239	14.0
175.11154	9.9
175.14803	3.3
179.08540	2.7
181.10094	9.8
182.10852	5.1
183.11627	11.9
185.05942	3.1
185.13217	23.0
187.11150	9.4
190.62453	2.4
195.11694	16.4
196.12482	4.4
197.13194	27.6
199.14795	3.9
201.16362	38.8
203.14255	3.3
209.13184	12.2
210.14027	4.3
211.14737	13.5
213.12753	3.6
221.13258	9.9
225.16281	5.8
235.14749	4.3
237.16353	18.6
251.17947	5.2
252.18716	5.2
253.19455	16.3
255.17386	3.2
267.21069	5.6
271.20496	4.7
277.19540	5.8
295.20535	61.1
302.22589	2.6
313.21561	75.3
327.50601	2.4
331.08041	4.8
331.11719	16.5
331.22589	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2263
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
53.03952	2.7
55.01859	2.3
55.05503	25.8
55.43887	2.0
58.86033	2.3
64.17886	2.5
67.05495	58.2
69.03429	5.2
69.07047	25.9
71.04961	6.3
79.05471	51.6
81.03368	2.9
81.07041	57.7
83.04985	4.6
83.08591	6.5
84.97494	2.6
85.02892	11.8
85.06524	12.2
86.09644	2.7
91.05462	56.4
93.06483	4.2
93.07029	70.7
95.04942	10.8
95.08585	59.8
97.06493	17.5
97.10172	6.4
105.07017	95.8
107.08582	77.9
109.06493	17.4
109.10162	25.6
111.12717	2.5
113.05977	10.9
117.07011	20.9
119.08541	55.2
121.06486	18.8
121.10130	30.1
122.43668	2.5
122.71621	2.7
123.08032	23.7
123.11663	3.4
125.09621	12.4
129.06995	14.7
130.07750	3.1
130.79095	2.8
131.08563	35.4
133.10110	32.4
135.08006	16.7
135.11688	19.7
137.09570	3.3
141.06938	3.5
142.07733	2.8
143.08554	27.1
144.09305	3.2
145.10115	50.2
147.08051	6.3
147.11665	64.2
149.09616	11.1
149.13261	4.1
151.11124	3.2
155.08559	12.2
156.09283	3.9
157.10086	33.1
158.10907	2.8
159.08081	3.3
159.11667	52.7
161.09586	16.7
161.13245	16.2
163.11165	5.7
165.06937	3.2
165.12659	4.1
166.35193	2.8
169.10107	15.9
171.11676	28.4
173.09711	3.9
173.13223	21.3
175.11169	11.3
175.14687	8.9
181.10042	6.0
183.07976	3.1
183.11652	15.3
185.09544	4.1
185.13210	20.5
187.11160	17.1
187.14775	12.0
189.12785	5.6
195.11731	6.3
197.13225	6.7
199.11090	6.1
199.14835	3.9
201.12682	16.2
201.16446	4.3
203.14337	4.0
211.14751	11.0
213.12654	4.3
213.16283	3.9
221.13124	4.1
225.16350	3.6
237.16336	5.4
251.17871	4.3
253.19540	18.3
255.17415	4.2
257.72452	3.3
262.00323	2.7
271.20544	27.8
277.21759	6.7
282.07104	2.9
285.22104	4.7
289.21567	24.2
295.20334	34.4
313.21497	68.2
331.11630	15.2
331.22623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2262
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
50.72650	0.7
55.05501	1.4
57.03418	6.4
66.54855	0.7
67.05512	6.3
69.07047	1.6
79.05475	6.6
81.07037	13.0
83.04954	1.8
90.99816	0.7
91.05448	8.7
93.07018	12.5
95.04945	0.9
95.08575	17.3
96.28573	0.9
97.06506	10.1
97.25653	0.7
99.08114	1.0
104.62158	0.7
105.07003	18.7
107.04963	2.8
107.08572	8.2
109.06493	29.0
109.10136	6.2
111.08092	0.9
114.37224	0.8
117.06987	4.1
119.08549	35.9
121.06496	5.4
121.10113	8.8
123.08024	8.7
123.11687	3.8
128.06119	1.3
129.06967	4.7
131.08536	11.8
133.06480	1.9
133.10097	34.2
135.08066	4.3
135.11656	4.2
137.09589	1.3
141.06989	1.4
142.07779	1.7
143.08527	13.9
145.10081	18.4
147.07999	3.6
147.11632	10.3
149.09584	4.8
155.08545	6.7
156.09302	7.3
157.10081	12.5
159.07977	1.1
159.11617	13.2
161.09619	8.3
161.13243	6.1
163.11154	4.5
169.10068	8.7
171.08023	1.0
171.11641	51.7
173.09621	1.8
173.13220	13.4
175.11095	3.5
175.14738	4.6
177.12718	3.4
181.10077	3.1
183.11639	8.1
185.09648	0.8
185.13199	6.7
187.11110	2.9
187.14801	3.7
189.12685	6.7
193.10095	1.0
195.11688	4.4
197.13206	7.2
199.11130	4.2
199.14799	4.6
201.12752	3.3
203.14304	3.3
205.15849	1.3
207.11598	1.2
209.13303	1.4
211.11195	1.2
211.14749	5.0
213.12703	4.6
213.16310	5.4
215.14305	3.4
221.13226	1.7
225.12840	1.3
225.16042	0.9
227.14232	1.8
233.13252	1.2
235.14732	4.2
237.16280	8.2
239.14249	3.2
239.17867	1.1
240.14932	0.8
245.31044	0.8
248.15488	1.0
251.13992	0.9
251.17809	3.5
253.15819	1.2
253.19408	13.5
255.17297	8.2
257.18939	4.8
262.16797	0.8
265.15833	1.5
267.21008	1.2
269.18939	3.4
271.20529	13.2
277.19391	12.2
280.18213	3.3
295.20499	51.5
313.21542	100.0
314.21988	0.9
315.00949	0.8
331.22519	15.4
340.51028	0.9
351.32443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2265
Annotation	12alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
55.05487	3.4
58.36479	1.6
58.41182	1.4
62.87382	1.5
65.18741	1.3
67.05479	14.3
69.07053	4.3
71.04945	1.8
73.00443	1.6
74.86913	1.6
79.05464	9.4
81.07030	23.7
83.04962	30.2
91.05455	11.4
93.07028	15.8
95.04937	1.9
95.08588	13.5
97.06514	33.1
101.37290	2.0
105.07024	32.2
107.04949	3.3
107.08591	11.8
109.06488	8.3
109.10168	13.4
115.05429	2.0
117.06995	3.5
119.08526	15.8
121.06494	18.2
121.10159	3.8
123.08047	8.8
128.06198	3.3
129.06989	3.9
131.08525	21.2
131.29715	1.7
133.10104	79.7
135.08058	2.6
135.11656	6.8
137.09569	4.2
141.06982	3.3
142.07788	2.7
143.08563	24.8
145.10103	28.0
147.07994	3.6
147.11681	13.0
155.08516	23.7
157.10106	12.5
158.07199	2.2
159.11633	20.9
161.09546	12.4
165.06914	2.2
167.08543	3.3
169.10100	21.9
171.11703	12.0
173.09590	31.5
173.13269	12.8
175.11171	2.8
177.12686	3.0
180.09390	2.2
181.10106	17.0
182.10898	3.8
183.11647	18.0
185.09616	2.1
185.13248	11.1
187.14766	9.8
193.10115	13.6
194.10747	3.0
195.11665	15.4
196.12485	16.9
197.13249	2.6
199.14807	7.1
207.11673	11.3
208.12457	10.0
209.13165	13.0
211.11446	2.7
211.14787	86.3
213.12650	3.2
213.16336	2.0
221.13203	3.3
222.13986	9.0
225.12752	9.0
225.16333	7.2
233.07828	1.9
233.13322	2.6
235.14880	2.5
237.16302	25.7
239.14183	3.4
251.17941	21.9
254.16641	7.7
255.17384	37.9
269.18921	100.0
277.19443	6.7
295.20493	25.8
313.21564	47.3
328.44247	1.7
331.22632	90.0
335.86252	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2266
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
55.05501	5.8
57.58942	1.6
64.23605	1.2
64.33930	1.4
65.73186	1.6
67.05481	10.8
69.07044	3.4
78.10246	1.5
78.73518	1.3
79.05479	9.3
81.07044	24.6
83.04501	2.7
83.04961	30.2
86.66483	1.3
91.05466	11.8
93.07027	18.1
95.04974	1.9
95.08588	12.1
97.06516	30.2
104.12988	1.4
105.07013	25.0
106.01682	1.2
107.04942	7.0
107.08594	11.2
109.06495	7.0
109.10178	10.4
111.08099	1.6
115.05402	1.7
117.06966	6.3
119.08572	16.0
121.06490	17.3
121.10125	5.9
123.08022	5.8
129.06944	2.8
130.07793	1.8
130.22079	1.4
131.08553	18.4
133.10109	66.1
135.08064	6.2
135.11604	2.6
137.09547	1.9
141.07034	2.1
142.07788	3.0
143.08563	23.2
144.09303	2.3
145.10118	26.8
147.08018	5.9
147.11641	10.0
149.09578	1.7
155.08499	23.4
156.09328	2.5
157.10146	14.6
159.08122	3.0
159.11684	27.8
161.09605	11.6
165.06989	2.2
167.08572	3.1
168.09285	1.8
169.10085	22.7
171.11696	9.3
173.09587	28.8
173.13206	12.2
175.11169	3.4
177.12764	2.4
179.08583	2.0
181.10110	16.1
182.10851	2.7
183.11661	22.7
185.13245	10.5
187.11177	2.2
187.14810	8.3
192.09381	2.9
193.10098	9.5
195.11679	21.3
196.12486	16.1
197.13210	9.3
199.14723	6.1
207.11696	11.5
208.12508	8.8
209.13235	12.9
210.10204	1.5
210.13994	2.9
211.14786	80.7
213.12642	2.0
221.13258	3.0
222.14046	3.5
223.14763	2.6
225.12740	6.2
225.16376	7.7
235.14938	4.6
237.16235	25.2
239.14221	6.4
251.17918	19.0
254.16640	10.5
255.17393	33.0
267.91278	1.4
269.18954	100.0
274.90567	1.5
277.19379	2.3
281.77518	1.6
295.20511	26.5
313.21579	42.9
331.22629	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2264
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
51.41407	0.9
53.03937	1.1
55.05498	5.2
57.07062	0.9
57.97298	0.9
58.37929	0.8
59.22471	0.8
60.86651	0.7
64.32989	0.8
67.05488	13.3
69.07043	2.0
71.04362	0.9
71.04962	1.0
79.05471	14.8
81.07034	20.6
83.04959	1.4
85.06528	6.0
91.05460	25.6
92.05796	0.9
93.07020	24.4
95.04965	2.0
95.08575	14.9
97.06506	16.1
98.06822	1.2
99.08037	1.0
103.05438	1.2
105.07009	54.8
107.08569	23.1
109.06498	51.7
109.10117	6.7
110.06850	1.9
111.08064	10.3
115.05441	1.8
117.06987	20.9
119.08551	37.4
121.06461	3.3
121.10113	13.5
123.08034	12.7
128.06183	4.4
129.06966	13.6
130.07820	3.2
131.08534	32.1
133.10100	19.7
135.08020	9.4
135.11673	4.4
137.09598	4.5
141.06970	4.2
142.07768	6.0
143.08545	32.4
144.09303	1.8
145.10092	54.1
147.08034	11.7
147.11668	18.4
149.09612	4.9
151.11142	1.0
155.08533	16.4
156.09210	1.1
157.10092	29.3
158.10474	1.2
159.11671	39.1
161.09602	2.3
161.13260	10.3
163.11166	2.2
165.06963	3.6
166.07803	1.2
167.08542	4.0
168.09311	1.2
169.10089	13.5
170.10786	1.3
171.11642	10.8
173.09630	3.9
173.13248	14.6
175.11143	5.4
177.12686	1.4
179.08476	4.3
180.09277	1.7
181.10123	8.6
182.10802	2.0
183.11641	11.6
184.12270	1.4
185.09526	4.8
185.13205	18.3
187.11192	4.4
187.14819	4.7
189.12695	1.6
193.10086	5.7
194.10880	1.6
195.11658	16.0
196.12407	1.3
197.13156	12.4
199.11095	4.3
199.14790	5.3
201.12732	4.3
205.10181	1.2
206.10855	2.0
207.11668	5.8
209.13173	8.4
210.13860	1.7
211.11243	1.1
211.14743	7.6
213.12643	1.7
213.16551	1.1
215.14307	5.1
219.11678	1.7
221.13185	8.6
223.14775	4.6
225.16255	2.0
227.14084	1.9
233.13345	1.9
235.14856	6.6
236.15427	1.4
237.16357	8.2
239.14143	7.0
247.14862	1.2
249.16318	1.2
251.17847	11.1
252.18556	5.6
253.15892	11.9
253.19400	8.4
255.17418	1.7
277.19498	14.4
280.17947	1.4
295.20490	100.0
313.21472	75.4
330.15930	0.9
331.22070	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	331.2264
Annotation	Turricolol E
Peak:m/z	Relative Intensity
55.05491	23.4
55.33691	3.2
56.19190	2.6
60.95837	5.1
67.05494	42.1
69.07043	13.3
71.04964	4.1
79.05478	37.7
80.33296	3.0
81.07038	79.1
83.08611	25.2
88.74255	3.0
91.05444	35.4
92.28538	3.7
93.07022	70.2
95.04986	5.8
95.08583	76.7
97.06489	5.1
105.07008	97.0
107.08594	56.6
109.06521	8.1
109.10142	35.3
117.06998	5.5
119.08546	55.6
121.10088	24.6
123.08064	6.4
131.08556	35.8
133.06453	36.2
133.10103	35.5
135.08052	5.9
135.11646	28.4
137.05934	13.4
142.47473	3.7
143.08545	18.2
145.06483	3.7
145.10106	34.3
147.08051	3.6
147.11679	46.2
149.09549	11.9
149.13245	23.8
151.07513	48.0
157.10078	24.8
159.08051	3.6
159.11679	28.4
161.09578	5.1
161.13225	40.2
163.14803	5.0
165.00549	4.3
169.10115	3.9
171.11668	18.2
173.13263	15.2
175.14769	55.1
177.09012	13.2
183.11655	6.7
185.09550	4.6
185.13220	14.7
187.14767	12.6
189.09129	4.5
191.10699	5.3
195.10118	29.6
197.13284	7.4
199.14844	5.5
201.16331	3.8
203.10609	6.1
211.14679	5.0
213.12801	4.9
217.12117	4.0
231.13705	17.5
253.19464	14.9
255.21095	17.6
257.22537	4.8
262.51993	4.0
267.20963	51.3
274.26947	3.7
277.19455	4.7
285.22037	23.1
295.20520	27.4
313.21506	90.8
331.22632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2262
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
50.17274	2.1
57.03893	2.0
66.14845	2.1
67.05497	2.8
69.07048	2.8
71.04970	2.7
72.05740	2.2
75.24658	2.2
79.05489	4.1
81.07052	14.0
85.06518	3.1
87.16156	2.3
91.05444	4.3
93.07036	11.7
95.08571	16.5
97.28131	2.3
100.95262	2.1
105.01553	2.1
105.06992	21.4
107.08590	15.3
109.06540	4.0
109.10106	2.3
111.08044	3.8
113.06021	3.3
117.06995	4.2
119.08574	25.4
121.10099	3.7
123.08050	31.6
131.08557	12.4
133.10132	15.1
135.08058	5.0
137.09544	2.4
143.08553	11.0
145.10080	19.3
147.11688	11.3
149.09674	3.1
154.07881	2.4
156.09319	3.0
157.10077	18.9
159.11676	26.4
161.09648	3.8
161.13251	11.6
169.10103	4.2
171.11667	13.7
173.09622	5.2
173.13297	5.7
175.11179	3.6
183.11632	3.7
185.13258	15.9
187.11105	3.2
189.12761	2.6
197.13246	2.8
201.16248	2.8
203.14311	20.8
211.14928	3.0
237.16338	2.9
253.19394	4.2
271.20502	2.9
295.20490	47.3
313.21570	100.0
319.73383	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	331.2265
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
55.05508	6.1
62.34070	2.6
64.25015	3.0
67.05476	18.9
69.07060	13.2
70.09584	3.4
79.05462	7.7
81.07058	32.7
83.04885	4.0
89.01748	3.5
91.05463	15.4
92.08666	4.1
92.09204	15.7
93.07018	21.1
95.08578	31.5
96.35422	3.1
97.06504	8.1
99.51457	3.4
100.30721	3.4
105.07008	62.8
107.08578	19.3
109.06489	4.6
109.10126	21.5
114.28130	3.2
117.06966	5.6
119.08582	41.1
121.10122	6.1
123.08006	6.9
123.11663	4.7
129.06966	3.8
131.08528	19.8
133.10104	14.3
135.11702	5.7
135.30611	3.4
137.09595	7.5
143.08566	29.0
145.10101	21.3
147.11668	6.1
149.09595	5.2
155.08501	14.8
156.09341	6.8
157.10112	40.9
159.11639	12.4
161.09570	8.1
162.37556	3.8
169.10117	20.1
171.11678	27.6
173.09578	6.9
173.13245	6.6
181.10187	3.8
182.10706	3.9
183.11670	18.5
185.09624	3.7
185.13193	8.4
187.11137	4.5
193.10089	6.5
195.11601	8.2
197.13206	15.6
198.13979	4.7
199.14813	18.0
205.56894	4.2
207.11719	8.0
208.12468	4.9
209.13246	6.8
211.14838	8.2
213.16370	4.5
221.13185	5.2
222.13968	5.1
225.16267	3.7
227.17986	5.1
235.14690	6.2
237.16367	100.0
255.17290	28.3
267.20969	5.7
277.19287	8.3
285.22153	5.9
295.20502	81.4
305.04715	4.0
313.21509	77.0
331.22455	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	330.3363
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.76081	0.4
57.06808	0.7
57.07067	10.6
58.06574	0.4
70.06577	19.6
71.08626	4.7
71.60907	0.4
85.10149	1.6
88.07619	20.1
88.39488	0.4
102.09139	6.2
106.08646	9.8
112.87383	0.4
124.88965	0.4
286.31000	0.4
312.32635	8.1
330.33615	100.0
331.06067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2111
Annotation	oscr#17
Peak:m/z	Relative Intensity
53.03943	1.4
55.01861	9.5
55.05503	50.2
56.96564	1.3
57.07064	1.4
58.13432	0.9
67.05489	12.6
69.01306	1.0
69.03423	2.0
69.06673	1.7
69.07052	42.8
71.04975	2.2
79.05479	10.9
81.07038	14.4
83.04954	2.4
83.08603	100.0
87.08094	1.3
88.74986	1.0
91.05458	6.1
93.07014	17.6
95.04928	4.7
95.08580	13.2
97.06514	7.5
97.10154	22.6
105.07014	7.4
107.08575	7.4
109.06511	2.8
109.10165	1.8
111.08063	24.9
114.37677	1.2
117.06976	1.9
119.08562	6.4
121.06449	2.7
121.10113	9.4
123.08070	2.2
125.09584	13.5
129.06972	1.2
129.09093	6.6
129.74008	1.1
131.08463	1.6
133.10106	4.7
137.09563	1.7
139.07512	20.4
139.11160	10.4
143.08522	2.5
143.10661	1.3
145.10115	5.4
147.11653	1.7
155.08495	1.6
157.08583	8.0
157.09995	3.0
157.12212	1.5
159.11722	2.1
161.09602	2.1
169.10085	1.6
171.11568	1.6
175.03830	9.9
175.09625	52.2
175.11049	2.5
185.13225	1.2
187.03909	1.9
189.05399	1.1
189.11201	14.0
211.14700	1.6
221.46947	1.1
226.06197	1.2
241.08458	2.0
243.10287	1.1
253.19763	1.2
295.19940	2.1
313.21143	7.3
331.22665	6.3
331.34250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01857	4.3
55.05501	29.9
56.96558	2.3
57.03425	22.3
57.07061	6.4
59.04978	5.1
67.05491	100.0
69.03423	1.0
69.07054	22.7
69.81723	0.9
71.04967	6.1
71.08607	1.9
79.05475	22.8
81.03405	6.9
81.07035	54.4
83.04960	11.8
83.08610	13.7
85.06524	3.8
87.04485	1.5
91.05458	19.1
93.07024	32.8
95.04941	8.8
95.08586	23.1
96.41087	0.9
97.06523	4.8
97.10152	5.7
101.02396	1.0
101.05966	1.3
105.07020	13.7
107.08572	12.9
109.06473	2.4
109.10143	58.4
111.08039	3.9
117.06965	2.1
119.08566	12.3
121.10135	8.6
123.08062	1.6
123.11681	4.9
125.09624	4.5
129.07021	1.6
131.08560	4.0
133.10139	5.5
135.08034	1.2
135.11661	2.0
137.09605	4.2
139.11169	5.8
141.12709	1.9
143.00107	2.5
145.10147	1.5
147.11676	5.0
149.13188	1.2
155.10658	8.7
161.01210	2.0
161.13206	3.7
165.12712	1.7
173.11696	50.7
173.13199	1.8
179.37637	1.0
193.12260	1.6
195.13853	1.4
211.13257	2.4
241.19231	1.2
259.20508	2.0
266.39478	1.1
268.29941	1.5
268.93195	1.1
277.21558	15.0
294.24237	1.4
295.22620	12.6
330.33414	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00260	1.3
53.03939	2.5
55.01853	10.0
55.05267	1.9
55.05508	46.6
57.03425	17.7
57.07056	8.2
58.89117	1.2
59.04998	1.8
60.48690	1.5
65.03928	1.9
65.91203	1.3
67.05494	100.0
69.03410	3.5
69.07062	37.7
71.04961	6.6
74.61609	1.6
79.05471	41.3
81.03382	11.2
81.07037	87.6
83.04967	26.2
83.08605	21.2
91.05466	34.9
93.07024	58.1
95.04924	12.4
95.08585	43.3
97.06510	8.1
97.10159	14.6
105.07027	19.8
107.08588	25.4
109.06490	6.9
109.10146	47.4
111.08064	6.0
119.07817	1.6
119.08554	16.5
121.10117	19.3
123.08021	5.4
123.11665	7.7
125.09607	7.6
129.07008	2.6
131.08565	3.5
133.10106	8.8
135.11673	8.2
137.09598	7.2
139.11156	10.7
140.14287	1.6
145.10126	1.5
147.11658	7.3
149.13217	6.7
151.33705	1.3
155.10632	7.5
157.10083	2.0
161.13191	2.8
163.11122	1.8
165.12695	3.1
171.11693	1.6
173.11714	26.0
175.11252	2.0
175.14870	1.9
189.11264	1.8
193.12256	3.0
211.13298	10.8
223.03659	1.4
259.20660	2.9
277.21567	30.6
295.22610	22.4
331.18747	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69664	1.2
53.00296	1.7
53.03927	2.8
55.01854	8.8
55.05505	65.5
56.05017	1.2
56.96558	1.3
57.03425	15.1
57.07057	6.9
59.04971	1.6
59.64875	1.1
63.13134	1.3
65.03940	1.4
65.20782	1.2
67.05493	100.0
69.03407	8.8
69.06712	1.9
69.07055	38.0
71.04965	9.0
71.08613	16.6
72.19344	1.3
78.56339	1.3
79.05473	51.3
81.03381	7.3
81.07037	97.0
82.07277	1.6
83.04962	16.3
83.08602	39.8
83.50609	1.3
84.30013	1.3
85.06521	8.1
91.05463	23.2
93.07018	42.0
95.04950	10.5
95.08581	41.6
97.06502	7.5
97.10145	48.6
99.08065	7.7
100.55491	1.3
105.07016	21.2
107.08579	26.6
109.06483	8.1
109.10145	41.2
111.08048	7.6
117.06991	1.7
119.08546	19.6
121.10133	14.1
123.11673	8.1
125.09608	33.3
129.06978	1.4
131.08540	6.1
133.10123	12.6
135.08015	3.5
135.11650	6.4
137.09587	8.4
139.11182	1.9
147.11620	6.8
149.13246	3.1
151.11223	2.6
153.09062	2.8
153.12723	2.4
155.10652	11.4
161.13181	7.4
173.11761	18.2
173.13104	2.6
173.43349	1.4
175.14835	2.3
179.14278	5.1
189.11192	29.2
193.12233	2.3
199.14894	1.5
211.13242	2.6
247.48784	1.5
277.21548	46.0
295.22665	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01864	5.4
55.05505	85.0
56.96539	1.2
57.03422	1.8
57.07069	2.2
59.04986	2.5
64.12184	1.0
67.05141	1.4
67.05490	33.9
68.05798	1.1
68.60946	1.1
69.03412	9.3
69.06714	1.3
69.07053	19.9
71.04971	1.3
71.08611	19.5
79.05477	24.3
80.05785	1.1
81.03394	4.6
81.07040	33.8
82.07391	2.3
83.04980	8.0
83.08601	61.0
85.06535	2.1
87.67315	1.1
91.05461	10.1
93.07022	19.1
95.04945	5.0
95.08588	18.4
96.08926	1.4
97.10148	100.0
98.98450	1.6
99.08065	13.4
101.09632	1.5
105.07005	6.2
107.08588	28.3
109.06486	2.4
109.10137	11.7
109.90229	1.1
111.11711	1.2
117.06992	1.4
119.08553	6.5
121.10098	4.4
121.16915	1.1
123.08032	1.6
123.11602	1.8
124.12011	1.3
125.09600	77.3
126.12733	1.2
131.08498	2.2
133.10121	5.3
135.08035	6.9
135.11687	1.9
137.13268	1.6
143.10646	5.4
147.11699	2.2
149.13223	1.7
151.11159	6.8
153.09079	5.4
154.82898	1.4
161.13239	5.6
163.11218	1.4
171.10110	4.5
179.14200	2.2
189.11186	74.7
241.19427	1.1
259.20486	2.3
277.21582	45.9
295.22644	15.5
307.74100	1.2
330.19455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.6
56.96543	1.5
57.03417	2.3
57.07057	5.4
58.06572	1.0
59.04975	7.0
67.05492	100.0
69.07034	2.2
70.06534	1.5
71.04976	4.4
71.05792	0.9
71.08610	1.3
79.05460	4.2
81.07034	41.0
83.08601	9.2
85.06502	2.6
88.07590	4.8
91.05453	6.8
93.07051	3.8
95.08575	11.0
98.98425	1.3
107.08611	2.1
109.10141	92.8
111.08057	2.4
114.37408	1.1
115.46773	1.0
119.08553	6.8
123.11662	8.4
137.09596	4.5
141.12708	1.4
155.10632	7.4
156.17543	1.2
173.11705	54.9
173.13213	1.8
184.83900	1.1
195.62680	1.3
198.45599	1.2
302.33603	1.2
313.23679	16.9
330.29999	1.9
330.33511	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38572	0.9
53.44019	1.0
53.99723	0.9
55.01870	2.1
55.05270	1.3
55.05507	29.2
57.03447	1.1
57.07063	2.7
65.03905	1.2
65.34707	1.2
67.05495	78.2
69.07056	26.0
70.06567	2.7
71.04957	7.9
71.08582	1.3
73.22490	1.0
79.05473	21.9
81.07041	100.0
83.04947	2.7
83.08604	14.7
85.06516	7.3
88.07598	4.7
91.05457	14.5
93.07014	28.0
93.33247	1.2
95.08586	75.9
97.06500	7.8
97.10126	8.3
105.07008	11.6
106.08577	1.3
107.08572	20.5
109.06499	1.5
109.10143	33.5
111.08069	1.6
117.06992	1.4
119.08564	11.5
121.06506	1.5
121.10110	18.5
123.08008	2.2
123.11677	15.0
123.13702	1.1
131.08551	5.4
133.01703	1.2
133.10129	11.8
135.11646	10.5
137.09610	2.0
137.13188	4.4
139.11166	2.5
145.10101	7.8
147.11688	7.9
149.09558	1.4
149.13225	1.8
159.11624	4.9
161.13199	6.3
163.14674	1.5
165.12665	1.9
173.11644	7.1
173.13132	2.4
179.14166	1.5
187.14764	1.9
223.16827	1.5
243.21048	4.8
261.22052	11.5
279.23102	28.5
293.24570	1.7
297.24210	1.6
311.25906	1.5
328.32056	14.4
329.32422	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	329.2107
Annotation	(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one
Peak:m/z	Relative Intensity
53.03933	0.6
55.01861	1.0
55.05504	4.5
57.03424	4.7
57.07058	0.6
61.91514	0.4
67.05496	8.9
69.07057	4.4
78.71005	0.4
79.05476	6.4
81.06590	0.9
81.07037	18.5
83.04960	1.0
83.08588	2.0
86.05098	0.5
91.05450	10.6
92.08639	1.0
92.09229	2.0
93.06551	0.6
93.07024	8.6
95.04932	2.7
95.08582	12.4
96.59132	0.5
97.06486	3.0
97.10108	0.7
99.08063	0.6
105.06361	0.8
105.07021	18.7
105.07720	0.7
107.04919	1.1
107.08559	6.2
108.69362	0.5
109.06499	3.1
109.10143	7.7
115.05415	2.0
116.06247	0.7
117.07012	4.8
117.07718	0.5
119.08558	23.4
121.06480	1.2
121.10142	2.2
123.08039	2.1
123.11679	2.8
128.06165	3.8
129.06985	4.8
130.07808	0.8
131.08537	27.9
133.06473	2.1
133.10109	26.0
135.08026	10.7
135.11679	3.1
137.09604	9.9
141.06992	3.4
142.07770	2.8
143.08562	11.4
144.05705	0.7
145.06483	2.1
145.10112	11.5
147.08034	5.0
147.11642	7.0
149.09694	0.5
151.11139	1.2
153.06940	1.2
154.07742	1.1
155.08521	9.4
156.09315	1.1
157.06454	1.1
157.10085	5.6
158.07219	1.1
159.08035	14.3
159.11639	3.0
161.09579	10.8
165.06978	2.7
166.07770	2.1
167.08511	3.3
168.09361	0.8
169.10075	9.5
170.10881	0.6
171.07988	3.8
171.11633	4.7
173.09590	14.0
174.10373	0.9
175.11183	3.8
178.07759	1.8
179.08531	5.8
180.09291	3.2
181.10063	10.1
182.10881	1.0
182.84792	0.5
183.07933	0.7
183.11671	4.9
184.08746	0.7
185.09554	2.9
187.11160	2.8
189.07161	0.6
192.09245	3.1
193.10092	8.9
194.10899	2.3
195.11653	9.3
196.08765	2.1
197.09604	4.1
197.13260	3.0
198.10373	2.0
199.11157	4.9
203.08607	0.9
204.09267	3.9
205.10127	6.6
206.10899	2.6
207.11659	7.3
208.08818	1.1
209.09628	3.0
209.13268	6.3
210.10374	2.5
210.13930	0.8
211.11128	5.0
211.14767	4.2
212.11983	0.6
213.12717	3.3
215.10626	3.5
216.09227	1.0
217.10016	2.3
218.10893	2.7
219.11646	42.3
220.12407	1.2
221.13184	4.0
222.10355	1.1
223.11298	5.1
223.14799	9.6
224.12070	0.6
225.12700	6.3
225.16203	0.7
227.10570	0.7
227.14278	0.7
230.10703	0.7
231.11624	6.1
232.12413	1.1
233.13211	3.0
234.14024	0.7
235.11108	2.7
235.14790	5.4
237.12698	9.4
237.16362	2.3
238.13432	0.8
239.14268	2.7
241.12086	0.7
245.13261	3.1
246.13936	4.2
247.14775	1.9
249.12743	10.4
249.16182	3.7
250.13396	1.2
250.17172	0.6
251.14238	1.9
251.17941	3.6
253.15862	4.5
255.17389	0.9
260.15527	3.8
263.14340	6.6
263.17133	0.6
264.15100	4.3
265.15784	1.9
265.19495	2.7
267.09259	0.6
267.17361	5.0
269.18915	0.7
275.17905	15.3
278.16586	22.4
283.20584	0.7
293.18933	100.0
311.19989	52.7
329.21005	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	329.2108
Annotation	16-alpha,17-Epoxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03932	1.5
55.01851	1.8
55.05498	3.6
57.03437	0.4
57.11763	0.4
59.27052	0.3
61.02909	0.6
65.03926	0.5
66.40536	0.5
67.05492	8.9
69.03410	1.7
69.07049	2.4
71.04979	0.7
79.05470	15.4
79.33368	0.4
81.07033	16.8
83.04966	17.0
85.06514	0.6
87.04450	3.2
91.05460	8.9
92.08868	0.9
93.07019	12.7
95.04946	5.1
95.08588	17.3
97.06506	83.1
101.05993	2.4
104.62025	0.4
105.07008	18.1
107.04956	1.6
107.08572	8.2
109.06499	100.0
109.10152	2.3
111.04436	3.3
111.08046	1.8
113.05994	0.4
115.05447	0.8
117.06973	4.8
119.08568	11.7
121.06477	9.2
121.10100	3.0
123.08040	65.8
125.05930	0.5
128.06226	1.0
129.06961	4.8
130.07764	0.8
131.08536	16.4
133.06438	0.7
133.10104	10.9
133.11024	0.6
135.08049	2.3
135.11676	2.3
137.09610	1.9
141.06955	2.4
142.07755	3.9
143.08537	15.9
143.09605	0.8
143.27650	0.4
144.09279	0.6
145.06447	1.7
145.10098	17.6
147.07999	4.3
147.11667	5.5
149.09604	3.7
149.13251	0.5
153.07004	0.7
154.07755	0.8
155.08516	7.3
156.09314	2.0
157.10097	12.6
158.10826	0.5
159.08046	1.9
159.11658	11.0
161.09593	4.0
161.13135	2.9
163.11206	1.0
164.66119	0.4
165.06981	1.7
166.07748	0.9
167.08517	3.4
168.09349	1.8
169.10075	11.3
170.10727	0.5
171.08035	0.8
171.11653	9.7
173.09576	9.1
173.13182	5.1
175.11163	2.2
177.09271	0.4
177.12762	3.3
179.08530	0.6
180.09312	0.8
181.10094	6.9
182.10916	2.5
183.11646	8.4
185.09532	0.9
185.13199	5.9
187.11107	4.0
187.14754	3.9
189.12733	1.7
192.09303	0.6
193.10068	1.9
194.10818	0.9
195.11621	9.0
196.12447	0.9
197.09583	1.6
197.13216	6.2
199.11118	4.9
199.14871	2.5
201.12732	2.8
201.16365	0.7
203.14291	0.5
205.10236	0.5
205.12125	0.7
207.11674	3.9
207.13426	0.4
208.12431	0.6
209.13225	4.8
210.14027	0.7
211.11182	2.3
211.14798	7.4
213.12680	3.2
213.16449	1.9
214.13586	0.5
215.14301	2.4
218.10710	0.6
219.11589	1.7
219.13742	0.5
220.12462	0.7
221.13196	2.2
222.13866	0.7
223.11281	0.6
223.14790	5.2
225.12706	2.2
225.16371	3.0
227.14336	2.3
229.15799	3.5
233.13248	2.2
233.15396	0.8
235.14752	3.4
236.15588	0.8
237.12697	2.4
237.16347	4.2
239.14275	2.4
241.15807	3.0
243.17354	0.9
247.14737	1.8
249.16356	2.7
250.13628	0.4
251.14386	1.4
251.17894	12.0
252.18649	0.6
253.15811	3.5
253.19397	1.8
255.17346	0.8
263.17743	0.6
265.15836	2.2
265.19440	2.4
267.17358	2.2
269.18930	8.7
271.16876	2.1
271.20398	1.4
275.17914	2.8
278.16537	0.6
281.19025	1.9
283.16779	0.7
283.20505	0.7
292.05573	0.5
293.18918	12.4
299.19937	0.4
311.19998	15.3
311.23599	0.8
329.21033	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2108
Annotation	(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one
Peak:m/z	Relative Intensity
55.01857	0.8
55.05506	5.9
57.03424	5.8
62.08690	0.5
65.03879	0.7
67.05494	10.1
69.03395	0.5
69.07055	3.8
79.05473	7.4
81.07039	22.7
83.04917	1.0
83.08569	0.8
91.04951	0.6
91.05463	12.0
92.09162	1.7
93.06489	0.6
93.07027	10.7
93.90737	0.5
95.04931	1.1
95.08019	0.6
95.08581	12.2
97.06506	5.2
97.10137	0.6
98.97563	0.5
99.08028	0.6
101.23611	0.4
103.05512	0.5
105.07014	22.7
107.04871	1.9
107.08554	6.5
109.06484	4.3
109.10146	10.0
115.05415	1.2
116.06179	0.5
117.06989	4.6
119.04942	0.5
119.08558	31.6
121.06437	2.6
121.10072	3.2
123.08015	2.5
123.11668	3.4
124.79758	0.6
128.06181	5.7
129.06982	4.3
130.07733	1.2
131.04907	0.7
131.08542	28.1
133.06479	2.3
133.10104	28.5
135.07053	0.9
135.08025	17.4
135.11653	2.1
137.09604	10.3
138.10329	0.6
141.06963	2.9
142.07753	2.9
143.08539	17.8
144.05638	1.0
145.06419	2.4
145.10098	12.1
147.08012	5.0
147.11652	9.9
149.09581	0.6
151.11084	0.9
153.06967	1.7
154.07736	1.0
155.08517	14.2
156.09341	1.7
157.06419	1.0
157.10088	10.5
158.07216	1.2
159.08032	18.2
159.11647	3.1
160.08809	0.8
161.09573	12.5
161.13176	0.6
165.06958	3.1
166.07742	2.9
167.08479	4.8
168.09270	2.6
169.10098	10.2
170.10783	0.6
171.07980	3.8
171.11664	4.7
173.09590	19.0
173.13177	0.6
175.11136	5.8
178.07704	1.0
179.08519	4.7
180.09290	4.1
181.10075	10.1
182.10910	1.8
183.11697	5.1
184.08698	0.6
185.09627	4.0
185.13235	2.0
187.11116	3.3
189.07037	0.8
189.12817	0.5
191.08504	1.0
192.09300	3.9
193.10098	9.4
193.73949	0.6
194.10925	2.9
195.11674	10.0
195.90057	0.5
196.08801	0.8
196.12398	0.7
197.09584	4.4
197.13171	3.0
198.10330	1.7
199.11089	5.7
201.09041	0.5
201.12688	0.6
202.07605	0.6
203.08505	2.2
203.10620	0.6
204.09273	4.1
205.10146	6.6
206.10893	1.1
207.11661	8.6
208.08771	1.0
208.12375	0.8
209.09604	3.0
209.13237	7.3
210.10364	3.4
210.13841	0.6
211.11203	6.3
211.14682	3.8
212.11958	0.6
213.12729	5.8
215.10608	3.3
215.14256	0.6
216.09294	0.9
217.10120	2.7
218.10849	2.4
219.11659	44.4
220.12402	2.7
221.13222	7.0
222.10304	1.2
222.13893	0.8
223.11194	6.5
223.14772	10.5
224.11815	0.6
225.12694	7.7
225.16289	2.2
227.10565	1.1
227.14262	1.8
229.12231	2.1
230.10976	0.6
231.11653	5.9
232.12425	1.2
233.13202	5.0
235.11169	2.1
235.14705	5.9
236.11783	0.7
237.12669	9.0
237.16302	2.4
238.13448	1.2
239.14281	3.2
241.12276	0.9
245.13214	3.0
246.13968	3.7
247.14830	1.2
249.12698	11.3
249.16216	4.0
250.13480	0.6
250.17279	0.7
251.14226	2.8
251.17876	5.3
253.15796	5.0
255.13657	0.6
255.17247	0.9
258.14096	0.7
260.15500	4.2
263.14246	6.1
264.14984	4.2
265.15628	0.8
265.19537	4.0
267.17429	5.6
269.18961	2.1
275.17883	16.0
278.16602	24.1
284.99216	0.5
293.18936	100.0
311.19992	62.9
329.21045	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	329.2106
Annotation	Longithorol C
Peak:m/z	Relative Intensity
53.03932	0.9
55.01863	0.9
55.05507	4.6
57.90547	0.5
67.05489	7.7
69.03427	0.8
69.07043	4.1
75.93175	0.5
79.05473	14.6
81.03405	0.7
81.07037	17.0
83.04967	16.5
85.06516	0.8
87.04428	2.5
91.05445	9.4
92.09074	3.7
93.07029	14.6
95.04952	5.0
95.08581	14.1
97.06512	85.6
101.06023	0.9
104.08744	0.6
105.07018	17.9
107.04927	2.5
107.08581	9.6
109.06503	100.0
109.10152	1.1
109.78639	0.5
111.04441	4.2
115.05423	0.7
115.50314	0.5
117.06998	6.9
119.08547	12.9
121.06483	8.2
121.10113	3.2
123.08045	62.7
128.06207	2.3
129.06992	5.0
130.07784	0.9
131.08542	14.7
133.06468	0.8
133.10124	10.0
135.08026	3.3
135.11664	2.5
137.09587	1.2
141.06927	2.2
142.07785	2.7
143.08551	12.8
144.09335	1.1
145.06412	0.8
145.10100	16.7
147.08037	3.5
147.11676	4.7
149.09599	3.0
154.07805	0.8
155.08534	7.0
156.09323	0.7
157.10098	13.5
159.08012	1.1
159.11635	10.3
161.09584	3.6
163.11131	1.5
166.07758	1.1
167.08542	3.4
168.09299	2.8
169.10080	9.7
171.11667	7.0
173.09572	9.0
173.13225	5.1
175.11139	3.7
175.14789	1.1
177.12688	3.4
178.07751	0.7
179.08525	1.5
181.10036	5.4
182.10899	2.6
183.11667	7.4
185.09578	0.7
185.13272	5.8
187.11125	3.6
187.14806	3.2
189.12733	1.3
193.10065	1.2
193.78362	0.6
195.11696	7.4
196.12474	1.0
197.13235	8.1
199.11218	3.6
199.14807	2.9
201.12738	0.9
203.14345	0.9
205.10286	0.8
207.11624	3.0
209.13199	6.5
210.14098	0.6
211.11108	1.2
211.14815	9.2
213.12747	1.5
213.16309	1.2
214.13629	0.6
215.14267	2.9
219.11673	0.7
221.13300	1.3
221.15291	0.7
223.11150	0.8
223.14737	5.7
225.12639	0.9
225.16379	2.8
228.15016	0.7
229.15810	2.2
233.13095	0.7
233.15457	1.1
235.14775	3.0
236.15538	0.8
237.12677	2.3
237.16339	2.6
239.14349	0.8
241.15819	3.1
243.17300	1.3
247.15042	0.8
249.16330	2.5
251.14102	1.0
251.17970	11.2
253.15776	3.1
253.19560	2.3
255.17337	0.8
265.15863	2.6
265.19498	2.5
269.18927	8.5
271.16837	3.3
271.20480	1.2
275.17920	2.6
281.18930	1.2
283.20084	0.6
293.18976	11.2
311.19983	18.2
329.21048	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2108
Annotation	(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one
Peak:m/z	Relative Intensity
55.05509	6.9
57.03423	4.2
57.07061	0.8
67.05495	8.6
68.76698	0.6
69.07043	3.4
79.05474	6.8
81.07037	19.8
83.04971	3.4
83.08624	0.9
84.09997	1.0
85.13504	0.6
91.05462	10.9
93.07031	9.9
95.04974	1.2
95.08585	12.8
97.06502	13.0
103.05426	0.8
105.07012	22.1
107.08585	8.4
107.83057	0.7
109.06497	10.2
109.10136	7.2
117.07001	4.0
119.08563	24.3
121.06505	1.5
121.10114	3.1
123.08047	7.4
123.11700	1.5
128.06165	3.0
129.06958	3.6
130.07768	1.1
131.05026	0.8
131.08545	29.0
133.06487	2.9
133.10104	24.8
135.08034	16.7
135.11679	1.7
137.09590	9.0
141.06920	2.8
142.07790	2.8
143.08546	17.6
144.05693	1.0
145.06450	1.5
145.10097	13.1
147.08051	4.9
147.11667	9.0
151.11205	0.9
153.06976	3.0
154.07712	1.1
155.08537	8.6
156.09372	1.2
157.06435	0.9
157.10091	10.3
158.07260	1.2
159.08038	17.3
159.11667	3.9
161.09561	14.0
161.13171	1.0
165.06992	3.1
166.07776	1.6
167.08582	3.6
168.09319	0.9
169.10072	9.9
171.08041	4.9
171.11655	5.0
173.09584	18.4
173.13210	0.9
174.10275	0.8
175.11160	4.0
178.07741	2.8
179.08540	5.0
180.09283	2.8
181.10063	10.1
183.07950	0.8
183.11649	5.7
184.08923	1.0
185.09581	3.0
185.13283	1.0
187.11150	3.1
191.08525	1.0
192.09297	3.5
193.10126	9.2
194.10959	1.5
195.11694	9.3
197.09584	3.8
197.13272	3.9
198.10313	1.2
199.11174	3.6
199.14766	0.8
204.09363	3.6
205.10092	5.9
206.11020	1.3
207.11656	7.4
208.12564	0.8
209.09654	1.7
209.13170	8.5
210.10406	1.6
211.11162	5.9
211.14787	5.4
213.12761	4.8
215.10704	1.5
215.14005	0.8
217.10190	2.6
218.10960	2.7
219.11652	41.2
220.12541	0.9
221.13219	4.6
222.10237	1.4
223.11200	6.0
223.14801	8.7
224.12128	0.8
225.12646	5.9
227.14288	0.9
229.12190	3.1
229.15559	0.9
231.11574	5.9
232.12448	1.3
233.13222	5.8
235.11140	1.3
235.14725	5.6
235.85847	0.8
237.12737	8.6
237.16295	1.3
238.13490	1.3
239.14261	3.9
245.13243	4.5
246.14038	4.8
247.14769	1.5
249.12672	10.6
249.16319	4.5
249.49257	0.9
250.17191	0.9
251.14215	1.8
251.17964	5.5
253.15901	5.8
255.13689	1.0
255.17332	1.0
260.15540	3.4
263.14264	4.9
264.15051	3.9
265.16138	1.1
265.19476	4.0
267.17447	5.0
269.18912	1.8
275.17856	16.7
278.16605	21.7
278.19626	0.8
283.20709	1.0
293.18933	100.0
311.20007	63.9
329.21057	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2106
Annotation	9,10-Dihydrooropheolide
Peak:m/z	Relative Intensity
53.03924	0.9
53.83947	0.7
55.05498	4.1
55.72113	0.7
56.59115	0.7
65.03936	0.8
67.05489	15.7
69.03417	1.2
69.07059	4.6
71.04977	9.7
79.05464	23.4
81.07037	29.1
85.06522	5.0
86.99021	1.0
91.05456	22.8
92.09290	1.5
93.07020	20.3
95.04962	4.0
95.08584	24.3
97.06516	4.7
98.97543	0.9
103.05456	1.9
105.03364	0.9
105.07009	100.0
107.04947	1.0
107.08575	41.0
109.06516	4.4
109.10156	3.0
111.04436	1.0
111.08089	1.2
113.05989	18.3
115.05472	1.4
117.06983	11.4
119.08551	22.7
121.06481	2.0
121.10083	6.5
123.08057	5.1
128.06160	6.6
129.06981	14.9
130.07729	1.4
131.08545	23.2
133.10109	13.5
135.11670	1.1
137.05969	1.5
141.06976	1.1
142.07761	8.1
143.07408	1.1
143.08533	30.9
143.09598	1.6
144.09380	1.1
145.10094	22.7
147.08020	1.3
147.11682	5.3
149.09624	1.2
154.07889	1.0
155.08531	10.9
157.10095	33.7
159.11670	13.1
161.09570	4.0
167.07013	3.0
167.08502	1.3
168.09325	1.2
169.10115	5.3
171.11635	18.0
173.09534	1.8
173.13306	3.4
175.11165	6.5
180.09341	1.2
181.08592	1.0
181.10081	3.9
183.11618	7.6
185.13179	1.9
185.49588	0.8
187.11148	3.6
191.10600	1.1
193.10039	1.2
195.11641	6.0
197.11565	0.8
197.13268	5.3
199.11107	1.4
199.14786	40.0
201.16457	2.0
207.11722	1.1
208.12563	1.0
209.13249	3.8
211.14833	1.6
217.12337	0.9
219.11603	1.5
221.13210	1.1
223.14824	3.7
225.16280	1.1
227.17828	2.9
237.16302	0.9
241.16020	1.1
249.16364	1.0
251.17865	6.9
253.15858	3.9
265.19467	1.1
269.18851	6.7
283.16977	1.0
293.18878	7.0
311.19962	25.8
329.21039	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2107
Annotation	(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one
Peak:m/z	Relative Intensity
55.01858	6.6
67.05493	3.3
68.99149	1.3
69.07052	2.1
79.05472	6.2
81.07028	7.7
83.04951	1.6
91.05459	14.0
91.44873	1.2
92.08903	5.0
93.07036	12.4
95.08578	7.0
95.28155	1.4
97.06519	3.6
105.07011	28.3
107.08577	12.8
108.66239	1.3
109.06490	3.4
111.08064	7.2
117.06982	2.4
119.08549	27.9
121.06454	6.7
121.10109	7.6
123.08044	10.1
128.06235	2.3
129.06918	7.4
131.08546	17.9
133.10081	12.5
135.07979	2.7
137.09608	2.4
142.07733	5.8
143.00134	2.8
143.08554	25.3
145.10098	9.3
147.08005	9.8
147.11653	3.5
149.09595	6.4
155.08510	9.8
157.10115	19.5
159.11667	8.7
161.01158	1.6
161.09543	11.7
165.06970	2.1
166.07672	1.6
167.08505	2.5
169.10103	9.6
171.11633	6.4
173.09581	5.8
175.11162	6.9
179.08545	2.6
180.29666	1.6
181.10048	6.5
183.11713	11.2
184.52737	1.4
187.11169	3.4
189.12767	5.9
193.10118	7.3
194.10912	3.0
195.11674	14.6
197.13184	1.7
201.12704	6.2
205.10051	2.9
207.11668	3.3
209.13258	9.5
210.13847	2.7
211.14822	8.1
213.12683	2.8
219.11633	1.8
220.12430	3.6
230.38112	1.5
235.14688	17.1
237.12636	2.5
241.15732	1.9
249.16357	3.5
250.16992	1.6
251.17805	6.9
253.15813	44.4
293.19012	26.9
311.19980	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	329.2108
Annotation	HU-331
Peak:m/z	Relative Intensity
53.03928	0.6
55.01862	1.1
55.05494	2.8
56.96544	1.0
57.07026	0.4
59.04993	0.5
65.03892	0.5
66.43696	0.4
66.97679	0.4
67.05481	6.4
69.03414	0.5
69.07056	3.5
71.04965	3.0
79.05470	8.8
81.07036	10.1
82.18459	0.4
83.04961	6.0
83.08615	0.9
83.91885	0.4
85.06535	4.9
91.05463	8.7
93.07021	13.0
95.04934	2.1
95.08583	11.1
97.06500	26.3
99.08044	0.7
105.07011	21.8
107.04928	4.2
107.08571	13.2
109.06498	34.7
109.10140	3.6
111.08070	3.9
117.06994	5.2
119.08552	12.6
121.06469	11.2
121.10125	4.9
123.08044	13.6
125.09612	0.6
128.06180	2.9
129.06967	5.7
130.07788	0.7
131.08527	14.3
133.06516	5.0
133.10120	12.0
135.08037	9.6
135.11658	2.5
137.09589	4.6
141.06963	2.8
142.07755	5.0
143.00110	0.9
143.08540	21.1
144.09296	0.6
145.06473	2.0
145.10103	19.3
147.08015	8.1
147.11652	5.8
149.09592	4.9
151.11160	0.7
153.07005	0.6
154.07722	1.5
155.08528	8.6
156.09312	2.5
157.01678	0.5
157.10095	18.6
159.07970	3.3
159.11655	10.3
161.09575	8.7
161.13200	2.9
162.10355	0.9
163.11154	4.6
165.06967	1.9
166.07732	0.7
167.08524	2.4
168.09377	0.6
169.10091	11.4
170.10892	0.8
171.07959	2.1
171.11653	7.8
173.09583	10.4
173.13162	4.6
175.11131	10.8
177.12752	2.0
179.08543	3.0
180.09280	2.0
181.10072	6.6
182.10921	1.0
183.11653	7.1
185.09540	3.2
185.13231	8.1
187.11159	11.2
189.12704	6.0
192.09364	0.5
193.10068	2.7
194.10858	2.0
195.11653	8.5
196.12468	1.1
197.09576	2.2
197.13251	4.7
199.11098	4.4
199.14774	2.4
200.11966	0.6
201.12700	7.0
203.14281	2.8
205.10121	1.7
207.11713	4.0
207.13449	0.5
208.12456	1.9
209.13197	9.1
210.13986	0.6
211.11086	2.5
211.14737	5.1
213.12685	4.5
215.14293	12.7
218.10873	0.7
219.11639	3.0
220.12386	1.8
221.13220	2.6
223.11128	1.0
223.14676	3.9
224.55533	0.5
225.12769	1.7
225.16312	2.5
227.14278	5.5
227.17894	0.6
228.15092	0.7
229.15912	1.0
231.11610	1.0
233.13239	1.1
235.14748	7.9
237.12674	4.6
239.14291	1.7
241.15900	3.2
245.13058	0.8
246.13982	0.9
247.14842	0.7
249.16399	3.5
250.17134	2.7
251.14278	1.0
251.17882	9.3
253.15796	11.0
255.13618	0.5
260.15536	0.9
264.14951	1.0
265.15860	0.6
265.19489	1.9
267.17303	4.5
268.18277	0.7
269.18948	12.0
275.17932	5.0
278.16544	2.2
283.16272	0.5
283.20428	0.8
293.18915	35.3
296.17630	0.8
311.19977	100.0
329.21045	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	329.2109
Annotation	HU-331
Peak:m/z	Relative Intensity
55.05498	3.9
56.68930	1.3
57.03429	7.5
58.75335	1.2
64.66340	1.4
67.05496	8.7
69.07037	2.2
73.72459	1.4
79.05456	8.7
81.07030	24.9
91.05470	15.4
93.07013	12.6
95.08584	15.0
97.06509	3.7
105.07019	26.0
107.08587	10.4
109.06525	2.7
109.10133	12.6
117.06988	3.6
119.08569	30.6
121.10122	7.1
123.08108	2.0
123.11632	1.9
128.06180	7.2
129.06985	6.4
131.08562	34.9
133.10101	32.4
134.19754	2.1
135.08005	25.2
135.08810	1.7
135.11612	2.4
137.09579	7.8
141.06949	2.1
142.07726	3.0
143.08519	23.2
145.06490	2.3
145.10117	13.5
147.08046	3.0
147.11697	11.6
153.07002	1.7
155.08505	15.0
157.10088	9.0
158.07230	2.3
159.08005	26.0
161.09599	13.8
165.07028	2.3
166.07841	2.0
167.08575	7.5
169.10101	11.4
171.08049	2.4
171.11661	6.8
173.09579	19.2
175.11153	6.6
178.07710	2.5
179.08513	7.3
181.10066	11.2
183.11681	9.4
185.09549	3.3
187.11154	2.8
192.09456	3.1
193.10017	12.7
194.10995	2.5
195.11702	14.5
197.09590	7.0
197.13277	2.7
198.10327	2.2
199.11162	6.9
204.09328	4.0
205.10114	7.9
206.10817	2.2
207.11685	11.0
208.12350	2.3
209.09566	3.3
209.13109	12.0
211.11160	3.7
211.14818	6.9
213.12627	5.8
218.10794	2.3
219.11667	44.1
221.13199	6.8
221.16591	1.7
222.10306	2.6
223.11279	3.1
223.14796	13.7
225.12621	7.3
231.11673	8.2
232.12418	2.6
233.13148	5.9
235.14749	9.3
237.12648	10.7
237.16446	2.8
239.14288	2.1
245.13162	3.5
246.13956	3.0
249.12601	12.8
249.16399	2.5
251.14288	1.8
251.17964	3.9
253.15848	3.5
260.15677	2.2
263.14264	10.6
267.17438	7.6
275.17963	19.1
278.16565	31.1
293.18921	100.0
311.19980	69.3
329.21005	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	329.2108
Annotation	HU-331
Peak:m/z	Relative Intensity
52.07921	2.4
59.75092	2.6
60.58917	2.4
61.27340	2.5
63.35149	3.0
67.05502	4.4
69.07050	3.0
73.46616	3.2
79.05470	7.5
81.07030	7.1
83.04945	11.2
85.06548	4.5
90.65531	3.0
90.91216	3.1
91.05452	6.2
93.07025	12.3
95.04920	3.1
95.08585	14.3
95.77645	2.9
97.06530	30.3
105.06984	25.3
107.04893	3.0
107.08579	11.0
109.06488	30.4
109.10204	3.5
119.08576	6.5
121.06506	5.8
123.08044	12.6
129.06927	4.5
131.08562	13.2
133.06512	3.2
133.10115	7.3
135.08034	14.9
142.07774	5.0
143.08536	15.7
145.10130	18.6
147.08060	6.4
147.11624	6.0
155.08504	4.3
157.10126	18.5
159.08087	3.3
159.11639	4.8
161.09633	4.7
169.10191	3.4
171.11662	6.4
173.09608	4.6
173.13306	5.1
175.11154	5.2
181.10066	3.9
183.11703	3.8
185.13431	3.2
187.11108	7.2
195.11656	4.7
207.11694	3.6
209.13130	4.0
211.14902	3.6
215.14243	7.3
219.11490	3.1
227.14413	4.0
235.14700	3.9
251.17992	6.1
253.15866	4.6
267.17386	4.0
269.19049	12.5
293.18842	33.8
311.19989	100.0
329.21112	39.8
329.53931	3.8
350.16995	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	329.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.3
54.81755	0.4
55.01847	0.4
55.05511	4.0
57.03426	0.4
58.99580	40.0
59.04987	1.9
61.01146	0.5
65.03928	0.4
65.55837	0.3
67.05492	2.2
67.37963	0.3
69.03419	67.2
69.07057	1.6
73.01131	4.2
75.02689	0.7
79.05447	1.2
81.07042	3.7
83.04977	2.5
83.08610	0.7
85.01093	2.0
85.02892	0.4
85.06516	0.5
86.99040	69.7
87.04455	14.2
89.04249	3.4
91.05468	0.6
93.07046	3.6
95.08588	4.7
97.06544	0.8
98.97546	1.5
99.02664	10.7
100.92463	0.4
103.02155	1.7
105.00079	100.0
105.07021	2.4
107.08567	1.6
109.02834	0.6
109.06506	1.7
109.10161	3.5
110.57567	0.3
113.00595	1.3
116.98598	0.6
117.03703	14.0
119.08573	0.7
120.65708	0.4
121.10138	4.7
123.01109	0.6
123.08074	1.4
123.11694	0.4
125.06018	0.6
131.08495	0.6
133.10110	1.7
135.05075	0.4
137.05978	0.6
137.09636	0.6
139.11169	32.0
143.08539	0.6
145.03178	8.3
145.10110	1.7
147.11699	0.7
147.75879	0.4
149.02649	7.2
151.07520	0.6
157.10141	0.8
159.08070	0.4
159.11705	0.4
163.04222	22.9
165.09052	1.6
171.11670	0.5
177.00714	0.7
183.04706	1.6
183.10123	1.6
183.11668	0.5
191.03703	11.9
195.11650	0.5
207.13777	3.9
239.10933	2.5
240.19196	0.4
278.16223	0.4
283.13586	2.4
293.18826	1.5
307.21622	0.4
311.19849	1.8
329.14066	4.8
329.20999	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.5
55.01862	0.9
55.05514	3.8
57.07046	0.5
58.99575	37.3
59.04978	2.1
67.05481	2.7
69.03415	69.6
69.07046	2.8
71.04976	0.7
73.01116	4.4
73.49979	0.6
75.02690	1.0
79.05481	2.4
81.07040	4.3
83.04961	3.3
83.08610	0.9
85.01118	2.0
85.06528	0.7
86.99036	69.6
87.03930	0.8
87.04449	16.3
89.04239	3.9
91.05473	0.9
93.07021	3.2
95.04943	0.8
95.08590	4.7
97.06512	2.8
98.97546	3.1
98.98475	0.7
99.02656	8.5
103.02166	0.9
105.00071	100.0
105.06998	4.1
107.08585	2.1
109.02860	0.5
109.06488	1.1
109.10126	3.7
113.27886	0.5
116.98621	1.0
117.03690	14.0
117.06998	0.6
119.08566	1.2
121.10107	3.3
123.08073	1.2
125.05930	0.7
131.08582	1.1
133.10127	1.2
134.99715	0.8
137.05959	2.1
137.09589	0.8
139.11159	30.4
143.08505	2.2
145.03175	6.5
145.10118	1.1
149.02641	6.7
151.07484	0.7
155.08582	0.7
157.10071	0.8
159.11696	0.8
161.13213	0.5
163.04204	20.0
165.09164	2.1
171.11803	0.6
173.02704	0.5
177.00703	0.7
183.10078	0.7
183.11580	0.6
185.13258	0.5
191.03688	11.5
195.11668	0.9
207.13766	3.8
209.13304	0.7
211.97104	0.5
239.10979	2.1
283.13467	1.0
284.47705	0.5
293.18958	2.1
299.58670	0.5
311.20102	2.5
329.06284	0.5
329.14209	4.6
329.21027	3.0
339.22977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81588	0.6
56.65258	0.5
79.20078	0.6
80.29069	0.5
82.62608	0.5
84.13094	0.5
84.49486	0.5
85.63725	0.5
92.09083	0.6
98.98413	0.7
162.66933	0.6
185.04189	0.6
203.05247	5.2
271.56812	0.6
279.83243	0.6
290.91782	0.5
329.12000	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	329.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18265	0.4
55.01841	0.6
55.05502	3.2
57.51226	0.4
57.98780	0.5
58.99572	39.4
59.04979	2.1
67.05473	1.7
69.03412	70.7
70.68634	0.5
71.04978	0.7
73.01124	4.8
75.02695	1.0
79.05460	0.9
81.07024	2.5
83.04961	3.3
85.01104	3.7
85.62489	0.4
86.99032	69.5
87.04445	14.7
89.04239	3.6
91.05459	1.0
92.08701	1.0
93.07004	2.3
95.08573	2.2
99.02654	9.7
103.02149	1.9
105.00067	100.0
105.07016	5.6
107.08554	3.0
109.02837	0.6
109.06517	0.7
109.10133	3.0
113.00541	0.5
117.03684	14.8
117.07054	0.5
119.01604	0.8
119.08562	1.0
121.10110	5.4
122.71966	0.4
123.08011	0.8
125.05920	0.5
131.08556	1.8
133.10117	6.8
135.73096	0.4
137.09576	4.4
139.11151	32.1
139.85097	0.6
143.08549	2.5
145.03166	8.7
145.10144	0.9
147.11671	0.6
149.02647	7.0
151.07552	0.9
157.10088	0.9
159.11588	0.5
163.04205	18.2
163.05580	1.0
165.09090	1.9
170.12770	0.5
171.11652	0.5
183.04736	0.5
183.10136	0.4
188.72864	0.4
191.03687	11.2
191.14223	0.7
199.14841	2.3
207.13672	4.1
239.10977	2.4
269.18994	0.6
283.13538	2.3
311.19943	0.9
311.29034	0.5
329.14120	4.7
329.20862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34483	0.5
84.08125	0.7
94.22644	0.5
148.80084	0.6
167.06799	1.0
203.05229	4.8
232.48882	0.6
292.81024	0.6
329.12003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.7
55.01860	4.9
55.05267	2.9
55.05505	49.3
57.03419	4.9
59.04967	2.1
65.03933	1.8
67.05496	100.0
69.03410	3.9
69.07056	32.6
71.04956	8.4
79.05473	75.9
81.03416	15.1
81.07040	61.2
83.04959	11.6
83.08597	19.2
85.06514	3.0
91.05460	63.9
92.08710	2.7
93.07029	58.4
95.04946	35.8
95.08586	44.7
97.10139	7.9
105.07019	47.2
107.04955	3.1
107.08573	40.9
109.06491	4.7
109.10137	44.1
110.52988	1.9
117.06995	11.6
119.08562	30.6
121.06516	2.2
121.10112	21.3
122.05378	2.1
123.11707	3.1
125.09612	4.3
129.06973	5.0
131.08580	12.0
133.10117	24.4
135.11678	2.8
137.09636	21.7
139.11195	2.2
145.10114	12.0
147.11668	10.0
149.09576	2.8
155.10646	2.9
159.11685	8.9
161.13303	2.9
173.11769	15.2
173.13025	2.4
189.11159	3.3
211.13184	2.6
223.13184	3.2
239.17978	2.9
257.18860	3.2
275.20050	20.7
280.84445	2.2
293.21030	2.1
296.99826	1.9
346.59338	2.1
349.38980	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.2
54.81809	2.4
55.01852	3.2
55.05504	100.0
57.03423	2.9
59.52320	2.1
67.05486	57.4
69.03407	5.4
69.07050	63.4
69.93623	2.2
79.05475	62.8
81.07041	53.9
83.04974	4.0
83.08594	55.6
91.05460	46.7
93.07022	26.0
94.36050	2.6
95.08577	27.5
97.10144	92.5
105.07017	46.6
107.04923	4.6
107.07865	4.5
107.08572	84.8
109.06482	4.7
109.10138	19.4
111.08088	2.9
111.49375	2.3
113.44920	2.6
117.06979	6.1
119.08556	22.9
121.10101	11.6
124.91245	2.6
125.09615	53.5
131.08507	6.2
133.10121	23.6
135.08040	5.1
135.11673	5.0
143.10609	2.7
145.10103	5.7
147.11664	11.4
149.09555	8.8
159.11595	3.5
161.13222	2.5
163.11159	3.9
189.11192	50.1
257.18973	3.3
275.20047	58.7
293.20874	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
53.41530	1.5
55.01856	11.9
55.05505	93.8
57.03420	2.2
59.05001	2.2
67.05490	51.4
69.03409	7.7
69.06704	3.1
69.07053	53.3
71.87843	2.1
77.40117	2.1
79.05470	53.8
81.07035	44.5
83.04964	7.3
83.08601	57.5
83.29532	1.7
91.05454	32.5
92.09329	3.8
92.25442	1.8
93.07021	28.5
95.08598	27.6
97.06518	3.5
97.10147	100.0
105.07005	40.0
107.04897	2.4
107.07854	4.4
107.08572	93.7
109.06524	4.6
109.10126	7.7
111.08099	2.4
117.06999	9.7
119.08551	17.9
121.06477	2.1
121.10107	8.0
123.11621	1.9
125.09608	64.0
131.08527	12.0
133.10112	17.9
135.08070	6.7
135.11673	2.2
145.10144	10.0
147.11653	10.5
149.09604	9.1
159.11649	3.3
161.13239	3.7
171.09973	2.4
189.11177	60.6
257.18881	4.6
275.20013	67.7
293.20975	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09541	1.3
51.45267	1.4
53.03935	3.0
53.14723	1.5
55.01839	2.3
55.05503	37.8
55.43699	1.6
57.03432	4.9
57.07041	1.7
59.04973	2.7
65.75195	1.9
67.05493	100.0
69.03400	4.3
69.07057	19.3
71.04964	7.9
71.72598	2.2
79.05474	49.6
81.03389	3.9
81.07029	47.1
81.07468	2.6
83.04967	4.1
83.08599	13.5
85.06519	2.1
91.05455	42.1
93.07030	33.7
95.04955	15.0
95.08586	38.5
95.21659	1.9
97.10116	4.3
105.07004	28.1
107.04910	2.5
107.08559	25.1
109.06548	4.1
109.10145	67.9
117.06933	7.1
119.08570	22.2
121.10127	14.6
125.09614	3.6
131.08560	11.2
133.10069	17.8
137.09607	8.6
143.08505	2.0
145.10129	4.3
147.11670	2.7
149.09561	4.3
155.10609	7.6
159.11629	2.4
171.11603	2.3
173.11700	35.8
173.13086	4.0
191.36955	2.3
275.19974	11.4
286.32385	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.0
53.03927	2.1
55.01862	6.5
55.05502	11.0
56.96548	2.5
57.03426	0.9
60.56771	0.4
60.89534	0.4
67.05145	0.9
67.05490	24.4
69.03410	0.6
69.07052	100.0
71.04977	2.2
79.05470	20.0
81.03398	4.5
81.07034	30.0
83.04946	3.1
83.08608	8.0
85.06517	0.9
91.04883	0.7
91.05453	18.4
93.07021	20.1
95.04945	5.0
95.08006	0.9
95.08584	24.7
97.06514	9.2
97.10150	3.9
98.97513	0.6
99.08057	0.6
105.07008	16.0
107.04933	7.5
107.08575	15.3
109.06494	3.2
109.10139	6.3
111.08009	1.2
113.09657	1.1
117.07008	3.7
119.08555	16.0
121.06483	3.3
121.10125	7.5
123.04439	0.5
123.08023	4.7
123.11660	1.1
123.13977	0.5
125.09602	3.0
129.06992	1.9
131.08546	7.9
133.10083	10.9
135.08035	3.0
135.11674	5.6
137.09546	2.3
137.13261	0.7
141.06900	0.8
142.17891	0.6
143.00108	1.0
143.08481	1.0
145.06497	1.0
145.10095	5.1
147.08041	0.6
147.11656	4.1
149.09599	18.1
151.11118	3.7
157.10097	0.9
159.11650	5.9
160.39732	0.5
161.01140	2.3
161.09520	1.2
161.13200	6.9
163.11136	9.0
165.09010	1.3
169.10080	2.3
171.11638	1.0
173.13200	3.9
175.11086	0.9
177.12718	3.0
179.14296	7.8
183.11642	0.7
186.04599	0.6
187.11115	3.0
189.11221	2.4
195.13713	0.7
198.14885	1.0
199.14784	1.3
206.21376	0.5
229.19470	0.8
239.17903	2.7
247.20518	1.2
257.19006	4.8
275.20004	42.2
293.21008	11.2
328.19641	0.8
332.86465	0.7
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
51.91420	1.2
55.01858	8.8
55.05507	63.0
56.96564	2.3
57.03428	2.0
59.04966	1.8
63.98808	1.5
67.05491	33.2
69.03410	3.3
69.07056	100.0
69.17314	1.5
79.05477	41.7
81.03404	6.1
81.07038	40.5
83.04963	7.2
83.08608	38.2
91.05470	26.9
92.08998	7.3
93.07029	27.9
95.04941	7.2
95.08588	29.3
97.06510	10.4
97.10149	62.7
105.07010	25.6
107.04932	7.9
107.07858	2.7
107.08579	59.7
109.06523	3.6
109.10152	7.7
111.08039	2.4
115.96375	5.7
117.07016	4.9
119.08549	20.0
121.06464	1.9
121.10140	3.4
122.94349	1.7
123.08057	2.5
125.09602	44.9
131.08543	11.2
133.10117	16.0
133.97441	6.5
135.08028	8.7
135.11642	6.1
143.00200	2.6
145.10106	11.0
147.11644	8.7
149.09621	20.8
149.13017	1.7
153.09114	1.6
159.11678	6.9
161.09583	2.3
161.13225	7.4
163.11162	6.8
169.09988	2.4
173.13277	6.2
175.14827	1.6
179.14238	9.1
186.58034	1.8
189.11189	38.8
223.13361	2.2
239.17870	4.0
257.18924	8.0
262.87888	1.6
275.20013	65.6
293.21039	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	328.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81776	0.5
55.01857	0.6
55.05500	2.7
56.96558	50.9
57.03418	2.7
57.07066	1.0
59.04977	2.4
61.30011	0.5
65.03918	1.3
67.05140	0.8
67.05492	21.7
68.05806	0.5
69.03069	1.0
69.03416	23.0
69.07043	3.4
71.04990	6.1
71.95266	0.6
73.06521	1.3
74.97577	0.8
79.05474	19.0
80.05798	0.7
81.07037	9.2
83.04958	3.1
84.96035	1.0
85.06515	2.5
88.97717	0.6
91.05453	11.2
92.05777	0.9
93.07029	7.8
95.04944	31.4
95.08591	8.2
97.06480	0.6
99.08067	0.8
100.99098	1.2
105.07016	17.9
106.07371	0.8
107.04961	0.7
107.08577	48.4
108.08907	3.7
109.02314	0.6
109.06484	3.3
109.10167	5.8
110.03082	0.9
113.05207	0.7
113.05988	20.6
114.06287	0.9
115.00641	1.0
116.17344	0.6
116.98610	0.7
117.07005	5.1
119.03600	4.7
119.06050	0.7
119.08559	8.2
121.06474	1.4
121.10126	3.8
124.05463	0.5
124.99071	1.3
126.05086	0.7
127.00636	0.7
128.06206	0.8
129.07027	1.0
131.00156	1.4
131.08543	8.3
133.01715	0.7
133.10124	5.7
134.10484	0.8
135.05644	2.6
135.08025	0.7
135.11662	2.9
139.00627	2.6
141.02188	0.7
143.00139	18.1
143.08560	4.2
145.01718	1.3
145.10112	9.8
146.06708	3.1
146.10439	0.7
147.07985	0.8
147.11652	5.5
149.01196	0.8
149.05345	0.9
149.09566	1.0
151.00645	2.7
152.06691	0.8
154.06357	0.8
155.08488	0.8
157.01697	4.7
157.10081	3.0
159.03281	3.0
159.05667	1.1
159.07994	0.8
159.11659	5.1
161.01195	17.7
161.09518	0.8
161.13235	0.9
163.06889	0.9
168.06110	2.9
169.01689	23.2
169.10071	1.3
171.03273	3.7
171.11658	1.4
173.09529	2.9
173.13188	0.9
174.06110	0.6
175.02754	3.7
175.09492	1.2
175.11063	1.1
177.08936	0.7
177.12697	1.0
179.02237	2.2
183.03233	2.3
183.09317	0.9
183.11673	0.9
184.09998	4.8
184.60120	0.9
185.04813	2.4
185.09409	0.8
186.07219	3.7
187.02745	37.5
187.11110	1.2
188.03088	1.1
189.04384	6.9
189.05956	0.8
191.14256	1.0
192.09787	2.5
193.10611	4.1
195.06902	1.4
197.04808	0.9
197.09045	0.8
197.59183	0.7
199.06427	0.8
201.04344	3.9
201.10303	2.7
202.11029	0.9
205.03760	4.7
205.05457	0.8
205.09842	1.0
206.09550	4.9
206.59717	1.4
209.04974	0.7
213.07948	0.8
215.05881	2.4
215.10059	20.7
215.60225	5.7
221.08653	0.9
223.06317	0.8
224.10608	64.7
224.60773	17.4
225.07983	2.5
226.60971	0.7
231.09390	1.2
233.11107	21.9
233.61316	3.7
235.06454	1.2
235.61452	2.4
237.04280	2.3
237.07947	1.3
239.05650	0.9
239.09473	2.3
240.10080	3.1
240.60152	0.8
242.11592	5.3
249.07991	1.4
251.09506	1.2
253.07405	2.5
253.11104	0.7
253.19501	1.1
255.05351	1.2
255.08894	1.1
255.12553	1.1
259.12701	0.9
261.11624	2.1
262.12134	2.3
262.62103	0.7
263.09702	1.1
265.07489	0.6
267.08972	4.5
269.10526	3.8
271.08533	1.1
271.12689	4.3
277.11133	0.9
278.13513	3.8
279.12564	2.3
280.13062	6.6
280.63184	1.2
287.13971	51.5
287.64124	17.3
289.13721	7.4
289.63931	3.4
296.14505	100.0
296.64685	32.1
297.10132	0.9
305.10568	1.0
305.15182	1.3
305.65036	0.9
307.65277	12.2
308.15530	5.8
319.20505	0.7
323.11487	1.2
337.21515	1.4
353.87344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81508	0.5
57.03426	1.2
57.07055	3.1
59.04988	27.7
61.02904	0.9
66.72180	0.5
67.05489	9.8
69.03406	2.1
69.07053	3.2
71.04974	46.0
73.02880	0.6
81.03394	1.1
85.02880	7.0
85.06524	60.5
85.12671	0.4
91.10493	0.5
92.09155	0.5
95.04937	8.7
97.02868	0.8
99.04480	0.5
101.05996	27.8
103.07550	3.7
109.02877	0.6
113.05983	100.0
118.95009	0.5
127.03871	0.5
131.07008	30.1
131.49217	0.5
149.08064	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.3
54.54184	1.9
54.81884	2.1
55.01838	3.2
55.05516	17.9
55.05718	2.1
57.03425	3.7
57.07062	5.5
58.74015	1.7
65.03925	2.6
67.05492	46.5
69.03403	2.5
69.07053	22.5
79.05469	49.0
81.07040	43.1
83.04964	2.9
83.08623	4.7
85.06534	2.7
91.04948	4.3
91.05461	59.9
92.08798	3.7
92.09326	2.1
93.07021	86.4
95.04946	82.5
95.08585	66.0
97.06469	16.3
98.98456	2.9
105.04488	3.7
105.06362	4.5
105.07015	100.0
107.04976	3.3
107.08573	55.1
109.06507	15.1
109.10124	22.0
115.05411	9.3
116.06126	2.5
117.06969	23.2
119.08546	72.3
121.06470	16.5
121.10114	37.4
123.08040	10.4
123.11672	4.6
124.37627	2.3
128.06195	4.7
129.06972	13.9
130.07779	10.2
131.08543	37.5
133.06487	12.9
133.10098	48.7
135.08028	76.0
135.11700	5.7
137.09599	10.4
141.06940	4.2
142.07816	17.1
143.08546	24.0
144.09315	10.1
145.10100	47.8
147.08029	4.0
147.11679	14.5
152.06166	14.2
153.06990	12.6
154.07623	3.6
155.08525	9.6
156.09325	10.5
157.10080	32.7
158.10857	5.4
159.08035	4.6
159.11688	33.3
161.09599	15.1
163.11124	2.7
165.03726	4.9
165.09070	36.8
168.05687	4.5
169.10080	12.2
171.11671	14.5
173.09569	4.8
173.13271	12.1
175.14793	13.4
181.10114	5.7
182.10880	3.1
183.11685	10.5
185.13243	10.4
186.08971	2.4
187.11163	2.7
187.14841	5.6
193.10222	3.3
194.10913	2.9
195.11668	4.7
197.13155	5.7
199.14703	5.3
203.14201	3.4
209.13219	4.4
211.14882	4.1
225.16269	2.4
233.03557	17.3
235.14717	3.1
251.04504	3.5
253.15536	2.8
277.16116	3.8
295.17160	10.7
309.18524	3.3
309.21936	3.3
327.07813	28.7
327.22809	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	327.195
Annotation	Neridienone A
Peak:m/z	Relative Intensity
53.03932	2.3
53.51711	1.2
54.81745	1.0
55.01843	2.4
55.05486	5.4
57.07070	1.3
67.05484	14.7
69.03407	2.5
69.07039	6.8
71.04974	6.0
76.00579	1.2
79.05453	11.9
81.03380	1.6
81.07032	21.6
83.04950	16.1
83.08570	1.9
85.02882	2.0
85.06524	5.3
91.05453	10.1
93.07012	16.8
95.04926	5.9
95.08582	18.2
97.06502	41.4
99.04478	1.1
103.05457	1.3
105.07003	25.6
107.04907	5.4
107.08570	13.6
109.05792	2.2
109.06491	34.4
109.10123	9.8
111.04415	13.2
111.08064	1.9
113.05963	1.9
117.06979	5.0
119.08566	16.0
121.06483	10.5
121.10110	7.7
123.08026	29.4
123.11650	2.1
128.06154	2.8
129.06970	5.3
131.08525	20.0
133.06548	1.7
133.10094	9.6
135.08011	6.0
135.11610	1.5
137.05968	5.4
137.09567	2.9
141.06961	1.7
142.07756	2.4
143.08530	15.9
145.06485	1.8
145.10088	15.7
147.04327	1.8
147.08032	8.1
147.11665	4.8
149.09552	6.5
149.13278	1.9
155.08542	7.3
157.10098	12.4
159.08015	2.9
159.11624	7.3
161.09563	10.0
161.13214	1.4
163.11169	1.9
167.08516	1.9
169.10094	7.5
170.10970	1.8
171.08060	4.7
171.11642	7.7
173.09578	25.7
173.13312	1.7
175.11159	6.1
179.08482	1.3
181.10023	8.0
183.11612	6.6
185.09570	2.1
185.13121	2.9
187.11151	6.0
192.09358	2.0
193.10126	2.1
195.11688	5.1
197.09575	2.3
197.13223	5.5
199.11154	5.1
199.14764	2.8
201.12662	2.2
207.11615	7.2
209.13211	2.3
211.11110	1.8
211.14757	2.5
212.12067	2.0
213.12752	5.8
213.16405	1.2
219.11882	1.6
221.09572	1.4
221.13187	5.1
223.11063	2.0
223.14697	5.7
225.12723	2.0
225.16280	1.7
226.13210	1.5
227.14227	7.5
229.15810	5.9
233.13243	2.6
235.14738	1.3
239.14243	1.8
241.15910	5.6
243.17378	1.9
249.16264	1.8
251.14259	5.5
253.15773	1.6
267.17374	6.6
269.15155	2.0
277.08664	1.7
281.18900	5.1
283.16501	1.5
291.17334	7.6
309.18329	19.8
327.19461	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	327.1951
Annotation	Neridienone A
Peak:m/z	Relative Intensity
51.65297	1.1
54.80754	1.4
55.05495	1.8
59.12422	1.1
62.44546	1.2
64.33378	1.5
67.05486	2.1
67.48463	1.3
71.04952	1.5
71.55020	1.2
79.05479	6.2
81.07041	6.2
83.04964	11.8
85.06551	2.1
91.05461	11.7
93.07047	11.0
94.35439	1.3
95.08601	2.9
97.06506	22.4
98.98446	1.8
105.07016	22.2
107.04942	5.4
107.08565	14.6
109.06509	8.2
111.08086	2.8
111.27660	1.6
117.06973	7.1
119.08551	10.9
121.06487	3.1
121.10122	1.9
123.08036	8.8
128.06177	6.8
129.06956	5.9
131.08546	28.8
133.06494	3.0
133.10109	8.5
133.71100	1.4
135.08041	9.7
142.07747	1.4
143.08540	23.5
145.06477	2.3
145.10100	15.4
147.08026	15.9
149.09596	13.4
155.08530	10.1
157.10089	12.5
158.07205	7.2
159.08034	8.1
159.11662	3.2
161.09572	15.2
162.10402	1.6
167.08524	2.1
169.10078	6.0
171.07990	7.8
171.11647	1.8
173.09586	77.7
175.11104	2.4
177.12695	3.4
178.07715	1.9
179.08492	3.2
180.09192	1.6
181.10106	6.4
183.11650	2.0
185.09470	1.9
187.11153	8.7
191.10614	2.9
192.09375	3.4
193.10109	7.8
195.11673	3.2
197.13208	1.6
198.10391	1.6
199.11221	2.9
206.10904	2.4
207.11606	8.5
209.09773	1.6
209.13164	9.8
211.11150	3.1
213.12787	2.3
219.11649	5.6
221.13249	1.8
223.14738	2.2
225.12659	3.4
232.12405	2.3
233.13264	2.0
244.12193	1.8
247.14607	2.4
249.16397	6.9
251.14265	13.0
265.15820	6.0
266.16608	2.0
267.17282	13.2
273.16394	2.6
291.17355	10.3
309.18393	36.4
327.19473	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	327.1952
Annotation	Neridienone A
Peak:m/z	Relative Intensity
53.03096	1.0
53.03910	1.5
55.01854	1.8
55.05494	4.3
56.92425	1.0
57.03424	1.0
67.05478	4.7
69.03385	0.9
69.07053	2.5
77.57571	1.0
79.05468	10.5
81.07051	14.4
83.04968	16.6
83.08590	1.8
85.02872	1.1
85.60156	1.1
85.99909	1.1
88.48803	1.0
91.05450	11.3
91.60059	1.1
93.07031	9.2
95.04945	4.8
95.08586	13.8
97.06512	48.9
105.07011	14.2
107.04899	1.5
107.08546	8.3
109.06506	41.6
109.10134	2.2
111.04419	16.5
113.05968	7.1
117.06987	5.2
119.08576	14.2
121.06503	10.7
121.10127	1.8
123.08046	31.9
129.06989	6.6
131.08565	11.3
133.06512	1.5
133.10129	5.8
135.11613	1.6
141.07024	2.1
142.07759	4.1
143.08533	11.1
145.10130	10.2
147.07997	2.4
147.11659	2.4
149.09564	2.7
155.08505	9.3
157.10097	15.0
159.08112	1.5
159.11655	5.0
161.09648	1.6
161.13210	1.4
168.09319	2.3
169.10051	10.3
171.08022	1.4
171.11569	8.8
173.09557	8.3
173.13220	1.7
175.11197	4.4
177.12767	1.7
179.08545	1.1
181.10121	8.6
182.10797	1.3
183.11635	9.8
185.09673	1.3
185.13228	6.8
187.11159	2.2
189.12624	1.2
193.10129	1.5
195.07875	1.2
195.11687	7.2
197.09634	1.5
197.13208	4.7
199.11113	2.4
199.14821	5.0
201.12726	1.6
201.16315	1.0
205.09946	1.3
207.11658	2.0
209.13245	4.5
211.11151	1.9
211.14816	5.7
212.12071	1.3
213.12712	6.5
221.13246	4.8
223.14789	7.2
225.12498	2.1
227.14279	7.6
228.15036	4.5
229.15775	12.1
235.14798	1.8
237.16286	1.2
239.14177	2.6
241.15849	8.5
242.16559	2.4
243.17351	2.6
249.16383	1.7
251.14088	3.3
253.15878	1.6
253.19447	1.3
255.17323	1.6
263.14200	1.5
263.17908	1.4
265.15814	1.9
269.15411	2.4
281.18900	7.8
291.17343	6.6
299.19962	2.4
309.18411	20.6
327.19476	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	327.1948
Annotation	Neridienone A
Peak:m/z	Relative Intensity
50.82148	2.0
51.48594	2.1
53.03933	3.4
54.35579	1.8
54.81643	2.2
55.01864	9.8
55.05505	23.1
56.96557	13.5
57.03432	4.4
59.35508	2.2
66.96721	2.3
67.05488	30.2
69.03420	18.0
69.07051	28.0
71.04974	5.8
79.05469	28.5
81.03389	3.1
81.07028	24.8
83.04980	10.6
83.08604	10.8
85.02881	12.6
85.06540	3.5
91.05459	32.1
93.07022	31.3
95.04954	15.3
95.08579	34.9
97.06499	23.0
98.98393	3.3
99.65903	2.3
105.07010	100.0
107.08562	24.2
109.06485	17.3
109.10110	3.6
113.05996	9.3
115.05446	2.5
117.06993	12.4
119.08562	32.1
121.06499	17.4
121.10120	12.9
123.08039	19.5
125.09628	3.4
128.06206	10.2
129.06989	13.7
131.08543	27.4
133.06476	3.0
133.10126	6.0
135.08025	5.7
137.09520	3.1
141.06981	4.6
142.07735	12.8
143.00157	5.8
143.08549	33.0
144.09370	2.4
145.10103	27.1
147.08043	15.5
147.11606	4.6
149.09607	11.8
150.18497	2.6
151.07498	3.3
153.07022	2.8
154.07719	2.8
155.08553	15.2
156.09236	4.4
157.10101	34.5
159.08040	13.1
159.11664	14.5
161.01192	11.1
161.09572	27.5
163.11217	4.5
165.07036	4.6
167.08504	6.1
168.09335	3.2
169.10088	20.0
171.07985	4.3
171.11629	10.4
173.09608	17.8
173.59053	2.7
175.11159	4.8
179.08534	5.7
181.10083	10.4
183.11629	18.6
185.09605	11.7
185.13182	2.9
187.11163	8.6
192.09280	3.4
193.10136	14.3
194.10931	4.9
195.07883	2.3
195.11630	5.9
197.13216	5.7
199.11163	10.3
206.11035	2.4
207.11670	14.1
208.12482	4.3
209.10023	2.8
209.13155	32.7
211.11200	5.9
213.12744	4.9
219.11722	4.1
221.13272	3.2
223.14786	15.3
225.12714	4.2
227.14250	9.1
233.13269	5.6
234.10397	2.3
237.12756	3.0
239.14270	4.9
245.20438	2.5
247.83330	2.5
249.16264	3.3
251.14261	27.0
265.15811	3.6
267.17319	29.2
269.15268	5.6
281.18951	12.8
285.18457	18.9
291.16797	2.6
291.19666	3.4
309.18390	52.7
327.19449	61.1
343.97849	2.8
345.19510	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.195
Annotation	Neridienone A
Peak:m/z	Relative Intensity
50.02919	0.7
50.20862	0.7
51.87157	0.7
53.03940	0.9
53.23259	0.7
54.81726	1.1
55.01857	1.5
55.05497	1.0
59.36063	0.7
67.05476	1.4
70.57067	0.8
71.04981	0.9
79.05484	5.9
81.07039	6.8
83.04972	12.0
85.06561	2.1
88.57963	1.0
91.05442	8.7
93.07027	9.0
95.04984	1.0
95.08549	2.3
97.06514	22.2
105.07007	18.1
106.85182	0.8
107.04895	3.3
107.08582	10.3
109.06472	6.3
111.08076	3.7
115.05435	1.0
116.06202	1.0
117.07004	6.5
119.08549	13.4
121.06480	3.8
121.10145	1.6
123.08073	6.7
125.84972	0.9
128.06200	5.9
129.06984	5.9
130.07750	1.7
131.08543	21.8
133.06520	3.3
133.10121	6.4
135.08018	9.6
137.09581	1.5
141.06967	2.1
142.07759	3.9
143.08546	19.0
145.06461	5.2
145.10114	15.7
147.08032	14.1
149.09593	14.6
154.07755	2.1
155.08525	13.6
157.10071	9.8
158.07230	7.5
159.08025	6.5
159.11673	4.2
161.09572	12.4
163.11143	1.2
165.06912	1.1
167.08495	1.3
169.10109	5.7
171.07976	10.7
171.11639	4.6
173.09584	76.3
175.11194	7.7
177.12689	1.5
178.07661	1.2
179.08537	3.7
180.09120	1.1
181.10049	2.2
183.11661	1.8
185.09521	1.3
187.11177	7.8
191.10593	4.5
192.09290	1.5
193.10086	8.2
193.36208	1.0
194.10864	1.5
194.51936	0.9
195.11676	2.2
197.09581	2.2
197.13087	1.0
199.11159	3.1
203.08545	1.0
204.09406	1.2
205.10204	1.6
206.10976	1.0
207.11703	6.1
209.13210	5.8
211.11145	4.0
213.12772	4.3
217.10002	1.2
218.11014	1.0
219.11623	2.0
221.13182	3.1
223.11133	1.1
223.14761	1.5
225.12715	4.2
230.10922	1.3
233.13274	4.3
237.01764	0.9
239.14160	1.4
243.11746	2.2
244.12439	1.7
247.14986	1.3
249.16348	8.6
251.14221	11.6
265.15823	5.0
266.16528	1.8
267.17419	10.3
291.17343	10.2
293.42368	0.9
295.25613	1.0
309.18393	32.7
327.19482	100.0
335.63791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05500	1.7
57.03424	7.3
59.04988	26.1
61.02907	1.7
67.05493	7.7
68.15080	0.6
69.03401	4.9
69.07049	52.5
71.04971	31.0
73.02897	3.0
73.06533	18.2
75.04450	3.1
79.05464	6.8
85.02889	19.8
85.06519	19.6
87.04455	1.2
89.06015	9.1
92.83087	0.7
97.02878	3.0
97.06500	100.0
99.08081	7.3
101.05989	1.1
111.08054	1.2
112.07581	5.0
113.05978	0.8
115.07543	11.0
129.09090	56.7
130.08623	6.7
136.07498	0.7
147.10146	3.6
165.11189	18.0
172.76575	0.8
188.47087	0.7
198.18442	1.8
290.50241	1.0
314.62527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1073
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
53.03941	0.2
56.84043	0.1
57.03419	0.3
61.33889	0.1
63.20507	0.1
65.03931	0.9
69.03416	1.1
81.03393	2.3
81.07070	0.1
85.02894	2.2
91.05463	11.8
97.02845	0.2
98.92502	0.1
98.98473	0.2
107.88153	0.2
109.02859	0.9
119.04923	37.6
134.04579	1.9
135.02939	0.2
137.84909	0.2
147.04391	100.0
148.04767	0.2
152.05798	0.2
165.02312	1.4
165.05424	1.9
173.51520	0.2
177.05402	0.2
182.04932	6.7
200.28700	0.2
208.00935	0.2
208.02849	5.8
241.27060	0.2
278.89813	0.2
291.08524	1.7
309.09631	1.3
321.14627	0.2
326.58237	0.2
327.08517	0.8
333.22400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.9
53.03932	6.3
54.81863	0.6
55.01865	10.8
55.05502	17.6
56.96569	0.7
57.03414	2.1
57.07059	0.7
57.39248	0.4
60.26879	0.5
65.03903	0.9
67.05489	55.4
69.03411	2.6
69.07053	11.1
71.04959	2.8
71.74713	0.7
76.56320	0.5
79.05474	28.0
80.06189	0.5
81.02930	0.8
81.03395	21.2
81.07037	35.6
83.04957	6.4
83.08582	3.7
84.18853	0.5
85.06522	1.4
91.05455	23.9
93.07023	32.6
95.04947	13.1
95.08582	100.0
97.06510	3.0
97.10163	1.1
98.98424	0.8
105.03364	0.7
105.07011	18.9
105.07723	0.7
107.04932	14.4
107.08570	14.5
109.06498	5.8
109.10126	11.9
111.07994	0.8
117.06997	5.5
119.08574	11.0
121.06483	3.9
121.10126	4.4
123.08041	23.2
123.11663	0.7
125.09592	0.9
128.06171	0.9
129.02673	0.7
129.06958	3.6
131.08542	7.5
133.06474	2.4
133.10100	11.0
134.29237	0.6
135.08023	9.8
135.11662	0.7
136.08336	0.8
137.09572	4.7
142.07776	0.6
143.08527	2.3
145.10081	3.0
147.08014	3.0
147.11652	3.0
149.09589	5.6
151.11176	3.9
153.09023	0.7
157.10057	2.9
159.11662	1.0
161.09570	3.6
161.13124	0.7
169.12257	0.8
171.11665	3.0
175.11079	5.5
178.16359	0.6
181.10121	0.6
187.14859	0.7
189.12646	1.4
213.16273	1.0
227.17966	0.8
236.78987	0.6
240.20317	0.6
255.17361	3.1
257.16064	0.6
263.19971	0.7
273.18384	9.8
291.19400	12.0
326.28693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01856	3.3
55.05505	21.8
57.03430	0.8
57.15112	0.4
61.02908	2.1
61.31749	0.5
67.05487	1.0
69.03408	4.6
69.07053	33.8
70.06567	1.1
71.04980	0.7
81.03409	2.5
81.07059	0.6
83.08604	79.8
84.38524	0.4
85.02888	15.7
87.08086	18.8
91.05472	1.0
92.08626	0.6
92.09170	2.5
93.07019	9.0
97.02864	3.3
107.08563	0.6
109.02895	0.6
111.08064	29.7
119.04932	0.8
125.09642	0.7
127.17725	0.5
129.09093	100.0
135.04410	1.1
135.23866	0.5
136.04720	0.8
145.02850	0.7
145.04955	0.5
145.57974	0.6
146.03239	0.6
147.04411	0.7
147.10143	20.5
163.03937	4.3
164.04233	7.2
231.86710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01860	3.5
55.05267	0.5
55.05505	10.4
57.03431	7.0
57.07052	0.4
58.44000	0.4
59.04983	2.7
61.02633	0.6
61.02915	11.8
62.85271	0.4
63.15794	0.4
69.03024	0.5
69.03413	20.3
69.07053	39.7
69.43816	0.4
71.04984	3.4
73.02902	4.8
81.03406	9.9
83.01317	0.8
83.08604	21.2
85.02887	100.0
87.04446	3.5
91.03922	5.5
97.02869	24.8
99.04427	4.3
101.09635	12.1
105.06958	0.5
109.02864	9.3
111.11692	6.8
115.03928	0.5
119.10690	0.8
127.03893	16.2
129.12758	2.6
145.04933	22.2
145.76196	0.6
147.04387	0.8
147.10155	3.1
147.13779	9.3
163.05988	7.0
175.59550	0.5
184.73596	0.5
199.95622	0.5
289.29242	0.5
299.07031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44658	0.3
53.13516	0.3
54.81461	0.4
55.01865	0.5
55.05504	6.8
57.03427	0.7
57.05824	0.5
60.95095	0.4
69.03409	2.8
69.03745	0.4
72.08138	100.0
74.69217	0.4
81.03412	0.9
83.04957	1.0
85.02898	5.7
86.03234	1.8
86.79314	0.4
92.09144	1.0
97.02876	1.8
98.03189	0.6
101.02385	0.6
115.40444	0.4
115.44447	0.5
118.08635	38.4
119.11692	0.5
127.03906	1.0
128.04256	1.0
140.72705	0.5
145.04858	0.6
166.25063	0.5
257.32257	0.5
263.33716	0.4
268.49179	0.4
332.80350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.8
54.81304	0.9
55.05504	2.3
57.03423	1.9
57.07064	1.0
59.04994	1.9
61.02916	0.9
67.05489	14.6
69.03425	8.8
69.07050	1.7
71.04980	49.1
72.36336	0.8
72.91776	0.8
79.05504	1.5
81.03403	3.4
81.07040	4.6
83.04970	4.4
83.08600	2.2
85.02898	14.7
85.06529	7.1
87.22340	1.0
89.03948	1.0
89.71462	0.9
92.09180	4.7
95.04939	4.3
97.02872	7.6
101.06017	1.1
103.82538	0.8
109.02885	2.0
109.10146	13.5
111.04465	1.8
113.11581	1.2
115.07523	1.7
117.03395	2.1
123.04398	9.6
127.03871	1.9
127.07514	4.0
127.11174	100.0
128.07892	1.1
134.99699	1.1
135.03358	0.9
135.04381	5.7
145.02824	1.9
145.04967	1.2
145.08583	1.9
145.12198	18.4
151.03806	1.7
163.03889	18.3
163.13278	6.8
236.86354	1.1
257.23663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.3
53.76848	1.0
55.05496	2.8
57.03418	2.7
57.32526	1.1
58.80896	1.0
65.58602	1.0
67.05498	15.3
69.03401	6.5
69.07045	2.8
71.04610	2.5
71.04976	59.6
81.07017	7.4
82.07362	1.9
83.08591	4.8
85.02888	20.7
85.06548	11.3
97.02858	2.9
99.08070	3.0
100.08422	1.4
109.02869	1.3
109.10129	10.3
115.07535	2.0
123.04404	1.4
127.03891	2.0
127.07513	12.6
127.11169	100.0
128.07864	5.7
135.04410	2.9
145.08551	5.6
145.12206	21.0
146.08965	2.4
158.01250	1.2
163.03864	6.7
163.13275	7.7
164.64554	1.4
173.03789	1.2
325.13275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
54.01752	0.4
55.01856	0.5
55.05508	5.8
57.03425	1.0
57.07068	3.4
58.72051	0.4
61.02911	1.1
63.13704	0.4
67.05482	0.7
69.03412	5.2
69.07054	43.6
73.06535	39.3
79.05466	3.5
81.03399	0.6
81.07040	19.7
81.07528	0.7
83.08591	1.8
85.02407	0.7
85.02892	11.2
85.06527	24.3
87.01788	0.5
92.64317	0.5
97.02885	2.2
97.06512	17.4
99.04416	0.5
99.08076	5.2
109.02880	0.9
109.06505	12.6
115.07547	100.0
116.44043	0.5
127.03898	0.9
127.07523	31.3
133.08614	0.6
145.04956	1.7
145.08566	7.8
163.09628	10.7
173.72163	0.5
176.97276	0.6
204.95218	0.5
290.65616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25778	0.4
53.03925	1.9
55.01860	2.4
57.03427	4.0
59.04979	0.4
61.02915	1.0
62.58141	0.4
69.03067	0.8
69.03415	18.7
71.01334	0.7
71.04976	6.1
73.02900	1.0
79.05481	0.6
81.03403	18.1
85.02878	4.1
86.33264	0.4
87.04456	0.5
87.89241	0.6
89.03897	0.5
91.05434	1.0
91.36017	0.5
92.08967	1.4
97.02860	0.8
99.04436	4.9
106.43326	0.4
111.94942	0.4
117.05505	0.7
118.06527	7.3
127.03893	0.6
135.04387	0.7
145.02808	0.5
145.06502	0.7
145.07588	8.7
147.09146	13.2
162.07861	1.0
163.03888	4.3
163.08611	1.1
163.45155	0.6
170.12213	0.5
172.06262	0.6
173.07094	15.5
175.08685	5.5
191.08116	100.0
191.68419	0.5
211.41895	0.5
233.09149	1.0
289.11761	0.8
307.12811	19.4
325.13889	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	325.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
54.44942	0.8
55.01867	1.0
55.05498	5.9
57.03427	21.4
59.04981	1.2
61.02904	1.4
67.05487	4.6
69.03410	6.6
69.07062	2.0
71.04975	8.7
71.08614	15.2
73.02894	1.0
79.05453	10.7
81.03385	5.6
81.07037	46.2
83.04970	1.8
83.08625	1.3
85.02885	20.9
85.06536	9.9
89.03893	3.6
91.05451	6.0
96.60162	1.0
97.02881	6.2
99.04411	1.1
99.08069	35.0
105.03374	1.5
105.06987	1.6
107.04948	8.5
109.02860	2.2
109.06497	40.6
109.10149	6.7
111.04472	1.1
115.05424	1.5
116.98538	1.2
117.03345	7.3
117.06976	2.4
117.09106	100.0
119.04926	6.7
121.10220	1.0
123.04411	4.4
127.03909	2.3
127.07523	56.8
127.11166	2.5
128.07869	1.5
131.04893	1.4
135.04382	15.9
145.02859	7.9
145.06493	4.9
145.08638	2.3
163.03873	85.6
163.09605	10.7
167.07013	1.1
173.05995	2.2
189.05577	1.0
201.05315	1.2
205.08604	1.5
207.06383	1.3
222.05774	1.4
224.99283	1.2
233.07982	1.4
325.08890	1.5
325.12491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01858	3.2
57.03429	8.3
60.10634	0.4
60.98352	0.6
61.02911	13.1
67.05493	0.7
69.03416	23.9
69.07084	0.4
71.01373	0.5
71.04977	2.2
71.17617	0.4
72.01613	0.5
73.02895	5.9
79.05471	0.6
81.03396	9.9
81.07046	1.1
85.02888	100.0
85.24780	0.6
87.04437	2.8
91.03921	4.7
91.79976	0.5
92.08788	0.8
92.09243	0.5
97.02868	22.7
97.03486	0.8
98.97532	0.8
99.04418	3.6
102.20808	0.5
103.03938	0.9
109.02869	7.6
109.10143	0.7
110.06023	0.6
115.03840	0.6
127.02959	0.8
127.03897	16.6
135.04382	2.1
145.02852	2.0
145.04941	20.8
145.06143	1.0
145.06570	0.7
145.54845	0.6
163.03874	8.3
163.05974	4.9
177.00613	0.5
181.04935	0.7
209.13416	0.5
307.08279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
54.13506	0.5
54.36182	0.3
55.01858	2.6
57.03213	0.4
57.03429	7.3
60.02471	0.4
61.02912	10.6
67.05482	2.0
68.40759	0.5
69.03415	23.3
69.07053	0.9
71.01344	0.8
71.04970	2.3
73.02896	4.0
73.42822	0.4
79.05480	0.9
81.03395	7.2
81.07038	1.1
82.47819	0.4
85.02888	100.0
87.04470	0.9
91.03954	3.0
91.05452	0.8
92.09082	0.5
93.07006	1.0
95.04927	0.5
95.08571	0.9
97.02864	19.4
97.06516	0.8
99.04400	4.6
101.02335	1.1
103.03902	0.8
105.06995	0.7
107.08589	1.0
109.02863	8.6
113.05988	0.8
115.03895	1.1
127.03886	17.2
145.04936	16.7
163.03909	1.0
163.06020	2.9
173.13226	0.5
224.82216	0.5
243.56990	0.5
277.63019	0.5
279.28525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
53.34640	0.8
55.01854	3.5
55.05507	1.3
57.03426	8.4
57.07064	0.8
59.37446	0.6
61.02683	0.6
61.02919	10.2
66.64756	0.7
67.05480	1.7
69.03071	0.9
69.03419	21.0
69.07044	1.7
71.04975	3.4
71.44041	0.8
73.02895	4.5
74.91168	0.7
79.05471	2.0
81.03400	9.6
81.07034	4.4
85.02892	100.0
87.04440	1.9
89.03896	1.7
90.67572	0.7
91.03930	3.7
91.05476	1.8
93.07025	4.8
95.04955	1.6
95.08586	3.0
97.02868	18.2
97.06513	0.7
99.04436	4.2
101.02357	0.8
105.06985	1.7
107.04933	1.0
107.08575	1.4
109.02869	9.0
109.06506	5.2
109.10098	0.9
115.03940	0.8
117.03369	1.6
117.22902	0.9
119.08521	1.7
121.06460	0.9
121.10126	1.0
123.07999	1.1
127.03880	13.7
131.08578	1.3
135.04382	6.9
135.11655	0.9
139.84717	0.7
143.08565	1.0
145.02838	4.7
145.04935	13.6
157.10071	0.8
163.03882	19.6
163.06007	3.5
216.26404	0.8
289.17975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
56.96548	0.6
57.03410	1.5
61.02903	1.1
67.05489	1.0
68.10617	0.6
69.03418	8.4
69.07053	1.5
71.04974	1.5
73.02890	1.4
73.72525	0.7
76.56471	0.8
79.05480	0.9
81.03407	1.6
81.04580	0.8
81.07002	1.1
83.04956	0.9
85.02882	18.6
85.06514	1.5
87.12068	0.8
91.05446	1.4
92.08947	1.7
94.91038	0.9
97.02857	6.7
97.06503	1.2
99.04423	1.4
103.05459	0.9
105.06960	1.0
109.06512	0.9
113.25207	0.7
115.05444	8.4
115.07545	3.4
117.07003	9.7
117.63616	0.7
117.95475	0.6
118.04135	1.7
123.05589	0.8
127.03898	6.6
127.07526	2.8
128.06169	0.9
129.07011	1.0
131.04881	2.8
132.05641	1.7
133.06454	1.7
133.07463	0.8
142.04129	3.3
143.04926	1.6
144.05659	9.7
145.02870	1.1
145.04948	3.4
145.06467	8.9
145.07590	22.8
145.08691	1.1
155.04880	1.0
155.06030	2.7
157.06477	3.0
158.03577	1.0
159.04404	3.1
159.08011	1.1
160.05106	1.7
161.05981	5.4
163.08617	17.4
170.03554	5.3
171.04347	3.1
172.05138	14.0
173.05856	5.1
174.03050	6.9
175.07474	1.1
177.05446	1.2
183.04353	1.5
187.03906	13.7
187.07494	49.2
188.04686	4.2
189.05420	10.4
190.06227	4.2
198.03067	12.9
200.04703	0.8
201.01741	0.9
201.05351	8.2
202.02493	1.0
203.07005	1.1
204.07787	1.4
205.08653	2.9
215.03375	1.3
215.07043	0.9
216.04140	23.1
217.04897	3.1
229.04999	3.2
231.02829	64.9
233.08046	3.0
234.05254	1.3
244.03687	4.8
249.07570	5.9
259.05936	100.0
316.09958	0.7
325.13889	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	325.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12706	0.1
55.46931	0.1
93.59418	0.2
94.79208	0.1
98.97557	2.7
101.00836	0.7
116.98602	2.9
118.03529	0.2
119.01049	0.3
119.01887	6.5
134.99686	1.2
136.04222	0.2
137.02933	2.2
153.00894	0.2
158.99872	0.7
161.11275	0.2
175.02962	0.2
177.00909	16.2
182.99907	0.2
192.98987	0.6
193.04089	0.4
195.01984	0.7
201.00844	1.1
202.95494	0.2
210.99876	0.2
216.98831	1.1
217.04034	3.7
218.03587	1.5
219.01958	31.8
220.02121	0.8
225.00784	1.5
234.99939	6.5
235.99953	0.2
240.98882	1.6
242.03632	0.3
243.01898	5.5
253.01022	2.2
258.99936	12.3
260.00064	0.6
260.04581	4.2
261.02997	100.0
262.03168	1.8
263.03247	0.3
264.98853	0.3
266.04071	0.2
273.98526	0.3
277.00980	13.8
278.01025	1.1
279.00589	2.7
282.99921	16.2
283.99960	1.1
284.04578	2.5
291.99686	1.1
301.00983	38.6
302.01239	2.5
302.05621	14.6
319.02029	2.4
325.01395	1.2
343.02054	6.9
344.02197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55856	4.8
55.01862	8.9
55.05495	39.2
55.18950	5.5
56.96547	10.6
59.79261	5.2
59.84123	4.8
62.38678	5.5
64.73082	6.2
64.81904	5.5
65.01926	5.9
67.05494	43.7
69.03382	5.4
69.07047	9.0
79.05478	64.0
81.07025	33.6
83.04971	35.6
83.08572	22.6
85.99132	6.2
91.05453	36.0
91.10481	5.5
93.07028	51.3
95.08569	9.9
97.10122	7.7
98.97572	7.3
105.07008	40.7
107.04937	33.1
107.08584	53.4
109.10117	13.3
113.25052	5.8
117.06999	6.6
119.08538	13.7
121.10075	11.4
131.08534	11.9
133.10077	23.6
135.08028	13.6
145.10187	7.1
149.09608	58.5
149.13170	7.1
189.11121	7.0
196.12410	6.4
209.15266	9.0
215.96571	6.2
275.20041	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	324.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.4
67.05482	0.4
79.05470	2.7
91.05455	2.3
92.09034	0.6
98.97582	0.4
101.04209	0.3
105.07005	4.0
106.07765	0.6
107.08584	3.9
133.06441	0.6
134.07231	2.2
135.08026	100.0
207.63806	0.3
212.84834	0.3
233.78148	0.3
324.23459	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	324.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71016	0.3
56.10750	0.4
57.03428	0.8
57.07065	63.7
61.02913	0.9
69.03404	1.8
75.26341	0.4
79.05456	3.8
80.18302	0.4
81.03361	0.7
81.07035	32.2
83.08596	1.9
85.02887	6.1
85.06526	33.4
85.77625	0.4
92.08666	0.5
92.09164	0.9
97.02900	2.0
99.08061	1.0
100.22366	0.4
109.02906	0.5
109.06497	30.3
127.07523	100.0
140.70265	0.5
145.04924	0.7
145.08571	51.6
162.49269	0.5
259.78940	0.5
307.13776	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	324.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58161	0.4
54.44172	0.4
57.07066	58.9
63.09671	0.4
66.53416	0.4
69.03397	0.9
69.07042	2.4
73.06506	0.5
75.35083	0.4
76.24809	0.4
79.05470	5.0
81.07035	31.9
83.08588	0.8
85.02882	8.1
85.06525	36.2
86.38465	0.5
95.21117	0.5
97.02850	1.9
97.06492	2.1
99.08070	0.8
109.02837	0.5
109.06495	30.9
115.07541	7.5
116.47423	0.5
127.07523	100.0
133.68892	0.5
140.13666	0.4
145.08572	51.1
146.96680	0.4
172.67119	0.4
212.86548	0.5
218.17023	0.5
232.12585	0.4
236.35860	0.4
245.08009	0.4
307.13953	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	324.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01566	0.4
51.76065	0.3
53.00303	1.5
53.03922	0.6
55.01846	0.5
55.05489	2.2
58.20588	0.4
61.02900	0.9
61.07471	0.3
65.03947	0.7
67.05491	12.2
68.99777	0.6
69.03416	20.2
69.07059	1.1
70.06572	0.8
71.04955	0.5
73.02892	0.4
77.03898	1.9
79.05466	3.8
81.03391	2.5
81.07038	4.9
82.82893	0.4
83.04961	1.0
83.08606	2.2
85.02416	0.5
85.02893	9.3
86.09672	0.6
87.00808	4.2
87.04439	0.6
91.03947	0.5
92.09357	0.7
93.06999	0.6
93.85114	0.5
95.04937	9.9
95.08634	0.7
97.02866	2.3
99.08069	2.6
105.02693	0.6
105.03372	12.0
105.04459	0.6
105.06998	0.6
107.04939	29.2
107.08574	0.8
109.02838	3.5
109.06488	0.8
109.09378	0.7
109.10138	18.8
111.04396	2.1
117.03345	2.4
119.08511	0.6
120.08097	0.7
121.06469	0.5
122.06001	0.8
123.04404	14.6
127.03892	1.8
127.07548	0.5
127.11176	2.1
129.05441	7.4
129.88576	0.5
131.08632	0.4
133.02831	48.8
134.03563	2.1
135.04390	2.6
135.08009	0.5
136.07639	0.4
140.07108	0.6
145.02841	4.4
145.04901	1.8
148.07457	0.4
149.05856	0.4
151.03883	20.4
151.05106	0.7
161.02306	21.9
163.03888	3.4
163.05956	0.6
167.06969	0.5
177.05397	4.3
179.03360	100.0
306.11447	0.5
307.08026	0.5
307.13281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.05489	0.9
55.74936	0.5
62.81194	0.4
63.91069	0.4
67.05485	5.8
68.99775	0.7
69.03410	22.3
69.07033	0.7
77.03897	2.3
79.05476	2.9
81.03374	0.8
81.07023	1.1
85.02908	1.0
87.00806	3.5
91.07008	0.5
95.04940	11.1
105.03374	14.0
105.04479	0.6
107.04936	31.8
109.02869	3.0
109.10147	1.4
111.04428	1.2
117.03324	1.2
121.02832	0.7
121.06475	0.7
123.04400	17.4
129.05450	8.3
133.02824	57.6
134.03603	1.3
135.04395	2.9
136.07503	2.4
145.01755	0.6
145.02840	3.0
151.03862	20.4
161.01036	1.0
161.02310	23.2
161.03650	0.9
177.05431	2.7
179.03357	100.0
237.88681	0.6
255.62279	0.5
280.50891	0.6
293.89920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.5
55.05503	53.2
57.07066	60.9
66.49345	0.7
67.05497	16.4
69.07054	100.0
69.52221	0.7
71.04969	1.9
71.08612	41.5
79.05463	8.2
80.75946	0.7
81.07037	47.0
83.04959	3.4
83.08601	68.0
85.06524	9.8
85.10169	22.9
91.05446	8.0
93.07019	17.8
95.08580	49.4
97.06507	12.3
97.10146	37.9
99.08056	0.9
99.11705	1.2
101.05978	1.8
105.07020	19.4
107.08568	19.6
109.06496	4.0
109.10136	27.6
111.08080	5.7
111.11705	19.1
113.13284	0.9
113.23521	0.9
115.07552	6.5
115.47283	0.8
119.08558	19.9
121.10120	16.0
123.08063	6.4
123.11681	13.2
125.09586	1.6
125.13238	6.8
127.07538	3.1
129.09103	1.9
133.10115	16.7
135.11670	11.0
137.09563	5.5
137.13248	10.5
139.11153	1.9
139.14763	1.4
141.09061	3.6
143.10696	0.9
147.11668	18.6
149.13200	7.7
151.11182	7.9
151.14738	2.0
153.12698	1.4
155.10609	1.8
157.12189	1.4
161.13216	18.3
163.14734	4.0
165.12706	8.9
165.16348	1.5
167.14360	1.9
169.12230	3.5
175.14803	5.9
177.16348	1.1
179.14265	9.6
183.13751	3.9
185.15376	0.9
189.16342	3.6
191.18069	1.1
193.15842	4.7
193.19473	1.2
197.15315	6.1
203.17863	0.8
207.21025	1.4
211.16960	1.1
217.19418	1.0
221.18922	1.1
231.21004	3.2
235.20532	1.2
263.27335	3.5
267.23193	0.9
284.52597	0.9
287.27228	5.4
305.28299	7.7
334.58319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78218	1.7
55.05503	47.0
57.07067	62.8
57.88639	1.6
58.16869	1.6
63.47534	1.5
67.05507	16.1
69.07056	100.0
71.08619	28.9
73.06572	2.2
79.05479	3.3
81.07039	45.9
82.17297	1.8
83.04976	2.5
83.08604	56.2
83.09383	2.4
85.06531	9.2
85.10182	18.3
91.05457	4.3
92.08612	4.3
93.07031	16.9
95.08583	47.9
97.06531	13.7
97.10149	29.9
99.04439	2.1
105.07018	18.1
107.08585	19.5
109.10146	30.4
111.08080	2.8
111.11700	16.1
115.07542	3.7
119.08576	15.6
121.10136	16.0
123.08044	2.9
123.11697	12.9
125.13227	1.9
130.49715	1.9
133.10112	17.9
135.11642	13.1
137.09554	2.7
137.13243	7.0
139.14726	1.9
147.11697	16.5
149.13222	4.0
151.11096	4.2
161.13208	13.6
165.12686	8.5
175.14795	4.1
179.14282	11.0
183.13786	2.6
193.15894	3.1
197.15355	3.6
211.17146	2.1
287.27231	4.0
305.28278	7.1
342.58820	2.2
349.53500	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67194	0.8
53.03935	2.5
53.40241	1.1
55.01856	6.3
55.05504	11.2
56.96547	2.7
57.03428	13.4
57.59048	1.0
59.04993	9.2
65.03931	2.6
67.05493	72.7
69.07053	27.2
71.04981	12.0
73.06535	4.4
79.05473	24.9
81.07036	23.6
83.04956	1.8
83.08591	2.2
84.71289	1.2
85.06535	10.4
91.05453	23.6
92.09265	1.6
92.15306	1.2
93.07028	22.3
95.04944	46.3
95.08591	12.8
96.98154	1.2
97.06491	1.7
98.97562	8.9
99.08070	100.0
105.07024	17.0
107.04934	7.1
107.08561	12.2
109.06511	26.9
109.10110	1.7
111.08031	1.7
113.05985	2.1
116.98629	10.1
117.06978	7.6
119.08539	13.3
121.06486	2.8
121.10110	9.7
123.08033	5.4
127.07518	9.7
129.06976	5.7
131.08551	14.4
133.06439	1.8
133.10077	6.0
134.99646	4.8
135.08006	15.4
135.11606	1.7
141.09132	1.6
143.08556	2.0
145.10098	6.1
147.08018	4.3
147.11642	2.1
149.09584	5.1
157.10100	2.4
159.11673	5.2
161.09575	7.2
161.13162	1.6
163.11084	4.5
171.11687	2.0
187.11092	1.8
199.14803	1.5
217.15819	1.6
245.18915	1.3
255.17223	1.4
258.99664	4.8
273.18442	11.0
277.00687	10.9
291.19418	21.0
305.21109	6.4
323.18341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10384	3.7
60.43213	3.8
64.33562	3.7
72.18569	3.3
92.08642	10.8
101.07083	5.1
109.50639	3.4
134.75024	4.3
246.68922	3.8
254.37863	4.3
264.62549	4.1
323.19543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.2
53.04298	0.4
55.01880	0.6
55.05503	17.7
57.03427	0.8
57.07065	10.9
57.68739	0.6
61.02915	0.9
67.05486	1.4
69.03407	3.4
69.07053	100.0
70.73627	0.4
73.02915	1.0
74.59916	0.6
81.03368	0.8
81.07036	1.3
83.08601	36.2
85.02895	11.8
91.05481	0.7
92.09349	1.2
93.03310	0.6
93.07087	0.6
95.08570	1.2
97.02866	3.6
97.10144	0.9
105.06997	0.9
119.08617	0.7
122.06009	4.5
125.13274	4.4
133.10106	0.8
135.59595	0.6
143.14278	6.2
145.10112	0.8
150.05501	2.5
161.15327	15.4
191.54845	0.6
192.06468	0.9
287.13846	0.6
288.12271	0.7
299.20068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24276	0.2
53.03927	0.3
55.05502	1.6
57.07059	0.5
63.13557	0.2
67.05488	0.6
67.21887	0.3
68.43824	0.2
69.03421	0.3
69.07046	6.1
79.05477	2.9
79.70423	0.3
80.05009	0.4
81.05781	2.7
81.07040	2.6
83.04950	0.4
83.08596	1.8
85.02882	1.2
91.05445	1.0
93.07038	1.5
93.21468	0.3
94.06547	0.5
95.04947	0.6
95.08565	0.3
96.07510	0.5
96.08111	10.8
97.06493	0.4
98.97572	0.4
105.07046	0.5
106.06545	2.0
107.08558	0.5
108.08117	0.6
116.98573	0.4
119.08569	0.6
122.06002	0.5
124.07567	32.9
126.05537	0.5
131.08470	0.5
136.07553	79.0
137.07869	0.4
138.09142	1.7
140.07033	1.9
143.14311	0.7
144.16339	0.3
164.07033	100.0
165.07520	0.3
182.08087	39.6
197.21739	0.3
305.21005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.3
54.03448	0.3
55.01859	0.6
55.05503	0.4
56.05035	0.2
56.96553	0.4
58.02951	0.3
63.77564	0.2
67.05503	0.4
67.94630	0.2
69.03411	1.4
69.07056	2.9
70.02930	1.2
70.06565	1.3
71.04936	0.3
73.06524	2.8
79.05467	1.6
80.04996	6.5
81.07069	0.4
82.02929	0.4
83.04932	2.0
84.08153	0.3
85.02886	2.4
92.80573	0.3
95.04912	0.4
97.02836	0.6
97.06512	6.9
98.97578	0.3
99.04449	0.4
100.03941	2.3
100.90048	0.3
103.03916	1.4
107.04971	0.5
107.06039	0.3
112.07614	0.3
115.07525	0.6
120.04423	0.3
123.05524	100.0
125.05955	8.7
126.05480	0.4
130.06477	1.4
135.05505	11.0
141.06560	0.5
143.07025	2.6
144.04735	1.4
144.06488	0.4
151.04997	2.2
155.65022	0.4
158.05943	1.9
161.08069	3.8
163.05008	1.7
166.38805	0.3
173.07051	1.4
180.07637	14.5
198.08760	1.2
200.88519	0.3
221.07216	0.3
226.74741	0.3
249.43138	0.3
279.16919	0.4
323.11649	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	323.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.6
53.28681	1.5
53.50441	1.5
55.01847	1.8
56.60270	1.6
56.96550	3.3
57.03419	8.0
58.52769	1.6
61.02913	4.0
62.76068	1.7
67.05481	2.8
69.03412	23.7
71.04961	2.8
81.03397	9.7
81.07047	2.9
84.04465	1.6
85.02888	34.7
87.04437	2.1
95.08590	9.3
96.08917	2.3
97.02857	13.1
97.06484	1.8
98.97560	2.6
99.04431	2.6
99.08070	2.0
104.82395	1.7
109.02837	3.6
122.05970	2.3
123.08052	2.0
124.08445	2.1
125.05947	2.3
127.03876	3.9
136.07555	9.7
140.07025	4.2
141.09067	3.3
143.07019	2.7
146.06029	1.9
161.02126	26.1
164.07080	2.4
185.04175	43.6
189.06819	1.9
203.05255	10.7
264.44672	1.7
269.22366	1.8
305.14908	2.9
323.07315	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	321.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26244	0.2
56.96561	1.8
56.96797	0.2
58.18986	0.2
71.95229	0.3
74.04575	0.2
75.65638	0.2
76.21412	0.2
87.23370	0.2
92.09064	0.4
98.97552	6.0
100.07908	0.2
104.65513	0.2
106.55172	0.2
116.98600	5.2
119.01906	2.1
124.94926	0.3
134.99622	2.6
137.02928	0.5
153.00801	0.3
155.01752	0.2
158.99854	0.4
177.00902	14.6
182.99895	1.1
195.01924	0.3
201.00900	3.9
214.96480	8.6
219.01958	100.0
220.02188	0.9
221.02351	0.4
234.99680	0.5
236.99487	0.9
237.03041	0.3
238.96294	1.2
242.03444	2.4
242.07426	0.3
256.97531	39.9
258.99930	0.5
261.02945	2.2
272.94348	0.4
274.94363	1.5
274.97598	3.6
275.04572	0.5
276.04602	0.8
277.00803	1.3
279.98318	0.5
280.97299	1.4
290.95380	0.3
292.95087	0.5
298.18506	0.9
298.98172	27.1
299.18390	0.3
301.01083	0.5
316.98822	0.9
321.99319	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	321.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	3.4
53.03926	4.7
53.98962	3.1
55.05507	51.3
57.07072	44.1
57.97715	3.1
59.71226	2.6
62.39293	2.4
67.05503	23.6
69.06670	3.2
69.07056	92.1
71.08616	25.3
79.05480	37.5
81.07044	65.8
83.08605	47.3
83.85536	2.9
84.68983	2.8
85.10151	6.0
91.05450	13.9
93.06477	5.7
93.07027	100.0
95.04955	5.3
95.08609	56.4
97.06521	17.5
97.10155	24.1
100.13345	2.7
104.52103	2.8
104.99303	5.8
105.07003	5.5
107.04945	4.3
107.08592	77.1
109.06525	4.1
109.10154	30.1
111.08112	3.6
111.11681	6.5
113.05991	3.4
117.07025	4.8
119.08588	5.1
121.06506	10.9
121.10126	49.4
123.11687	13.9
125.05988	7.0
133.10172	5.1
135.08025	4.6
135.11705	26.7
138.79048	3.3
139.07530	37.9
140.34439	2.9
145.10124	5.2
147.11684	3.2
149.09593	4.8
149.13289	13.0
153.09119	14.3
163.11241	3.4
163.14743	4.7
167.10620	7.2
173.62184	3.5
175.14764	3.2
177.16353	4.6
181.12213	3.6
183.70473	2.9
191.14201	3.8
209.15262	4.0
234.54968	3.1
239.08873	31.4
257.11328	3.1
261.25781	3.9
321.27954	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	321.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39464	0.5
54.03760	0.6
55.01862	0.7
55.05502	1.4
56.37246	0.6
59.04986	1.6
61.02893	0.9
64.17030	0.6
67.05483	4.4
69.03418	1.3
69.07054	76.8
71.62888	0.6
73.06536	10.4
79.05494	1.2
81.03402	0.8
81.07047	9.0
85.02900	8.3
93.32326	0.6
95.08583	20.2
97.02850	1.2
97.06511	55.8
99.04445	1.3
99.08066	4.0
114.06392	0.6
115.07548	100.0
123.08040	8.8
139.51660	0.7
141.09082	11.9
159.10126	18.5
215.35040	0.7
266.40237	0.8
278.65244	0.7
343.66171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1541
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.82227	1.8
55.05502	60.8
56.05011	7.3
56.96545	2.4
57.03418	12.5
57.03670	1.5
60.58998	1.4
61.01123	11.7
67.05486	9.4
68.05006	6.8
69.03398	8.2
69.05339	1.9
69.07054	47.4
71.04967	2.6
81.03400	2.9
81.07021	3.4
82.78976	1.9
83.04964	32.6
85.02877	12.2
86.09677	8.5
91.05472	2.8
93.06993	3.0
95.08577	86.3
97.02867	8.2
97.06490	3.5
97.10139	18.1
98.97554	7.5
99.04432	3.0
99.08069	2.2
104.05305	2.6
112.86629	1.7
113.07115	45.2
113.09624	30.2
114.07441	12.5
117.03352	8.8
118.38811	2.1
123.08015	15.0
127.03883	1.8
141.09076	100.0
145.02812	14.8
159.10127	38.9
161.07382	6.9
171.55077	1.9
177.05441	12.2
178.00246	1.7
186.66646	1.9
189.06798	2.6
219.01538	2.7
237.02733	3.1
263.95242	1.9
271.46991	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	321.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05507	51.5
56.05027	8.6
57.03429	11.2
60.04521	0.9
61.01145	10.0
62.10752	0.9
66.37791	0.9
67.05496	12.4
69.03403	4.4
69.07056	44.5
71.04977	2.0
71.08610	1.1
79.05466	1.3
81.03413	1.2
81.07039	1.9
83.04969	31.5
85.02893	9.5
88.03980	12.5
93.07012	4.3
95.08586	94.4
97.02871	4.3
97.06499	3.9
97.10141	15.9
98.06039	4.0
99.04434	2.1
99.08077	1.1
102.05508	9.9
104.05328	17.9
107.08616	1.1
113.09628	26.0
114.05505	1.6
119.04956	1.0
122.05980	1.8
123.08047	14.6
133.00867	1.0
136.07468	1.3
138.05400	2.0
140.07053	1.1
141.09084	100.0
146.06348	1.9
147.04346	4.6
148.06003	5.9
159.10150	27.9
189.81976	1.1
192.10066	1.0
275.50189	1.0
303.13232	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01873	1.5
55.05504	17.6
57.02710	0.7
57.03431	1.2
59.15997	0.7
64.69441	0.7
67.05495	16.7
69.03417	4.0
69.06663	1.1
69.07052	33.1
71.04975	1.1
73.06507	0.8
79.05478	1.6
81.03407	0.9
81.07037	30.1
83.04965	24.5
83.08601	22.7
85.02884	8.7
87.08082	3.3
91.05419	1.2
92.64832	0.9
93.07029	3.9
95.08584	100.0
97.06516	16.8
99.08071	22.1
99.08667	1.4
105.07005	1.8
111.08076	8.6
113.09624	3.9
115.07544	16.6
123.08045	33.5
129.09109	14.8
138.05510	0.8
141.09077	58.9
159.10129	39.5
169.68475	0.8
324.46994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1539
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.03933	0.7
55.05497	4.4
57.03424	1.6
59.04988	1.3
61.02901	2.5
67.05489	14.7
69.03408	3.5
69.07059	15.5
71.04976	0.9
72.75324	0.6
73.06525	0.8
79.05411	0.8
79.57566	0.8
81.03421	0.9
81.07040	16.2
83.04966	0.9
85.02878	14.0
92.85223	0.6
93.07013	3.9
94.13027	0.7
95.08581	100.0
97.02863	3.1
97.06501	11.8
99.08064	29.0
109.02850	1.0
112.01301	0.8
113.09619	18.4
115.07543	17.7
123.08038	47.7
124.70049	0.7
127.03912	1.5
129.09041	0.9
141.09074	66.6
159.10132	46.1
190.01442	0.8
196.00177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04649	0.9
54.82322	0.8
55.05496	2.5
56.96561	1.2
67.05489	6.5
69.03416	1.5
69.07053	10.3
70.06571	1.7
79.05460	5.0
81.03398	0.9
81.07036	10.7
82.06573	1.0
83.08614	1.4
85.02967	1.0
85.06548	1.2
91.05456	6.4
93.05779	1.0
93.07026	10.0
94.06554	20.4
95.04948	6.0
95.08586	5.9
97.06521	1.2
98.97588	1.4
105.07007	5.8
106.06517	3.9
107.07316	29.3
107.08553	4.0
108.08083	1.1
109.06522	1.9
109.10179	1.7
110.06020	3.8
110.42839	0.9
112.07617	1.2
117.03412	0.9
118.06537	6.0
119.08565	6.4
119.73898	0.9
120.04469	5.1
121.10088	3.8
122.06013	19.6
123.08006	1.5
123.11682	1.8
124.07571	8.1
133.10115	1.6
134.05995	8.4
135.06792	8.9
136.07558	100.0
138.05508	2.1
140.07018	9.8
142.08629	16.9
143.08575	1.3
145.02812	3.7
145.10126	2.3
156.04796	1.1
157.10239	1.5
162.05466	55.2
163.06253	21.1
164.07027	8.7
169.08888	1.0
170.09698	1.4
173.13222	1.0
177.05414	1.6
178.03101	3.4
180.06523	11.2
188.10770	1.2
197.13155	1.1
198.09111	2.5
200.10699	1.1
202.12279	1.4
216.10243	1.8
217.13347	7.0
230.08220	1.3
242.11749	1.4
243.11349	4.6
257.12784	4.5
258.11215	30.7
259.14398	5.0
267.11334	1.5
275.14264	1.4
277.15356	1.3
279.13455	1.3
285.12289	15.4
286.10645	15.7
287.00189	1.0
303.13324	83.0
321.09149	1.5
321.10754	1.1
321.14423	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	321.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15016	0.6
55.01869	0.8
55.05497	7.6
57.03419	1.4
59.04995	1.4
61.02908	0.8
64.33475	0.7
64.70293	0.6
67.05492	14.9
69.03406	1.6
69.07053	20.3
73.06524	1.6
79.05455	0.9
80.57544	0.7
81.07034	18.7
81.30242	0.6
83.04960	5.0
83.08607	5.9
85.02894	14.8
85.10164	0.9
91.67950	0.9
93.07012	3.9
95.08585	100.0
97.02867	4.0
97.06512	15.2
99.08069	28.4
105.07023	1.4
109.02882	0.8
111.08045	1.5
113.05982	0.8
113.09632	13.4
115.07544	22.8
123.08041	44.5
127.03878	1.1
129.09096	4.6
141.09082	67.2
159.08835	1.7
159.10143	45.5
188.12224	0.7
270.54156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24544	1.3
52.47025	1.2
53.03926	7.8
54.76439	1.6
55.01846	3.0
55.05493	9.1
56.26784	1.3
57.03416	7.8
61.02897	8.7
67.05493	23.4
69.03412	22.7
69.07050	32.2
71.04961	8.2
79.05470	13.1
81.03381	9.3
81.07028	2.3
83.04963	3.6
83.08590	10.2
85.02889	80.5
85.22658	1.4
91.05461	21.0
93.07023	83.5
95.04935	11.8
95.08600	28.6
97.02868	18.4
97.06499	33.4
99.04460	5.5
105.04455	2.1
109.02850	7.9
111.08060	46.0
113.05946	2.6
121.06486	36.4
121.10123	6.4
127.03875	9.5
132.04399	1.9
132.59239	1.6
139.07526	77.9
139.11159	9.1
140.08252	2.5
145.04903	3.6
157.08571	100.0
157.09868	3.5
157.12198	6.4
206.08011	2.0
259.11719	1.9
277.12891	7.1
301.11670	1.9
302.12521	3.2
319.15201	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	321.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
57.03432	0.3
64.33125	0.3
67.05494	10.8
69.03423	0.4
69.07055	0.4
71.04990	1.0
75.62688	0.2
79.05476	1.0
81.03400	0.3
81.07041	2.5
83.08584	0.3
85.02885	0.6
85.06544	0.5
90.85839	0.3
91.05453	1.4
93.05785	0.3
93.07018	1.6
94.06553	10.6
95.04955	1.5
95.08608	0.3
97.06522	0.3
105.07031	0.7
106.57037	0.3
107.08614	0.6
108.08078	0.6
109.06533	0.3
117.03338	0.3
122.06010	25.3
123.11638	0.3
126.05503	1.2
130.06490	0.3
136.07559	85.0
140.07033	2.6
145.02870	0.3
145.10052	0.3
147.04341	0.5
159.11717	0.4
164.07039	100.0
177.05418	0.3
182.08099	32.0
198.09158	0.3
198.60356	0.3
212.46365	0.3
218.06989	0.3
243.11195	0.4
277.47830	0.3
285.12262	0.4
316.06845	0.3
321.18048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60162	0.5
51.10321	0.6
53.03932	3.2
53.25457	0.5
55.01853	3.3
55.05496	8.5
56.33823	0.6
57.03429	5.0
59.04992	0.6
61.02893	3.8
67.05492	20.3
69.03123	0.6
69.03423	9.0
69.07053	20.2
71.04974	22.7
73.02899	0.6
79.05474	27.0
81.03387	4.2
81.07037	8.7
83.04957	2.9
83.08618	5.2
85.02889	30.7
85.06538	3.0
86.37444	0.6
91.05450	12.2
93.07022	79.3
95.04937	5.6
95.08582	24.2
97.02859	6.9
97.06497	12.4
98.97552	0.7
99.04422	3.2
109.02846	2.7
109.06503	3.8
109.10132	1.3
111.08063	28.7
121.06490	14.7
121.10123	21.6
127.03876	3.2
127.07529	3.4
127.26174	0.7
139.07516	36.6
139.11153	22.5
145.04956	1.0
154.08615	1.0
157.08578	100.0
157.12190	3.2
162.44543	0.6
180.06508	1.3
223.03706	0.6
258.10806	0.8
288.44888	0.7
301.11835	0.6
319.12781	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73275	0.7
53.03932	5.6
55.01855	3.3
55.05498	13.4
57.03416	7.0
58.06122	0.7
61.02908	3.8
67.05488	31.1
69.03407	13.4
69.07048	37.5
71.04970	37.0
73.02888	1.0
73.45188	0.9
79.05468	43.1
81.03396	5.3
81.07039	10.2
83.04967	3.5
83.08593	6.2
85.02882	42.8
85.06529	1.0
91.05453	14.1
92.08794	2.0
93.07015	100.0
95.04938	7.3
95.08581	32.1
97.02840	8.8
97.06503	20.2
99.04427	1.6
103.40452	0.9
105.04457	1.1
105.07021	1.4
109.02850	1.8
109.06481	1.2
109.10151	6.6
111.08058	29.2
121.06490	15.8
121.10101	37.1
127.03888	4.2
131.22824	0.9
136.03865	0.9
139.07518	39.8
139.08600	1.4
139.11151	40.7
145.04965	1.4
154.08574	1.6
157.08563	84.8
157.12230	4.8
166.04938	1.6
175.07443	1.0
180.06573	1.2
200.85294	0.9
319.12659	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	319.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31694	0.5
55.01849	0.5
55.05497	2.2
56.49340	0.5
63.09045	0.5
67.05489	4.6
69.03407	0.9
69.07044	2.8
71.23135	0.5
77.34019	0.5
79.05462	3.5
81.03412	1.1
81.07035	4.0
83.04962	1.1
83.08600	0.8
85.02888	0.8
91.05453	2.2
92.08995	1.4
93.07021	2.5
94.02892	0.7
95.04926	0.6
95.08569	3.0
97.06506	1.3
105.07001	1.1
107.04910	1.4
107.08537	2.3
109.10091	0.8
114.69045	0.5
117.07016	0.6
119.08569	1.3
121.10108	1.0
123.02356	0.6
129.06976	0.8
129.85213	0.6
130.06476	0.8
131.07269	6.5
131.08249	0.7
131.08423	0.5
132.08057	1.5
135.11688	1.0
136.07661	0.6
144.08081	7.4
145.06451	0.8
145.10098	2.6
147.11664	0.7
157.08852	1.2
157.10045	1.0
158.09599	0.9
159.06770	0.9
162.82405	0.7
167.07280	1.3
168.08032	0.6
169.08833	1.0
170.09717	0.8
171.10378	0.9
172.11151	3.6
175.06381	0.8
182.09608	3.0
183.09258	0.6
184.07474	2.5
184.09940	3.4
185.08395	5.2
186.12724	7.3
188.07039	1.3
194.08466	0.8
196.11198	0.8
197.06859	1.3
197.08354	2.6
198.07597	1.5
198.09142	3.4
199.08524	2.1
199.10120	1.1
199.12169	1.3
200.10744	4.1
209.07066	0.8
209.10779	3.5
210.09113	2.6
211.05014	6.9
211.08580	3.2
212.09363	5.4
212.10803	4.5
213.06584	4.4
214.12247	13.9
224.09282	0.7
225.06563	2.3
226.07310	4.7
227.08047	5.3
227.11664	8.8
227.49074	0.8
228.10373	8.8
230.11684	2.7
237.10141	3.2
239.11646	0.8
240.10374	9.0
241.06071	9.9
241.09740	3.4
242.10384	1.5
254.06764	1.2
255.07571	3.2
255.11235	17.4
256.09460	0.9
256.11984	0.8
257.12784	5.2
258.11182	11.1
270.09900	12.3
271.06949	1.1
272.07855	57.6
273.08679	3.3
273.12228	5.1
283.10736	11.6
301.11771	100.0
319.12964	7.6
319.18930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05470	0.5
57.06814	0.8
57.07069	14.9
58.06585	2.8
60.04493	0.5
62.41068	0.5
66.11724	0.5
70.06577	26.7
70.21734	0.5
71.08605	4.9
72.08161	0.6
77.52029	0.6
85.10174	0.7
88.07614	35.1
102.09158	22.4
109.10213	0.6
132.10205	1.0
157.11072	0.6
168.85567	0.5
171.95671	0.5
173.11993	0.5
178.42982	0.5
212.23679	2.0
256.26297	69.3
300.28983	4.8
318.29965	100.0
323.19171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86194	0.4
54.50806	0.5
56.72246	0.5
56.96556	10.3
68.30097	0.5
70.77994	0.6
71.95255	0.9
98.97556	100.0
102.96912	0.6
116.98595	91.5
117.98947	0.9
119.01884	7.5
120.02011	1.1
121.01641	0.7
122.45284	0.6
134.99628	57.9
137.02962	4.1
142.03493	3.5
153.00685	7.5
160.04521	2.1
177.00914	4.5
178.00999	2.4
179.00648	8.8
180.67216	0.6
192.98631	0.9
203.02393	0.9
204.02551	1.2
205.02220	8.6
219.01936	1.3
220.02097	0.8
221.01666	1.9
230.93228	2.6
234.99782	4.7
235.03067	0.5
240.98689	3.5
247.03371	1.0
248.94391	1.1
253.04318	0.9
254.93256	2.7
256.96561	6.4
257.96582	0.9
258.96652	2.3
258.99667	42.7
259.99954	1.3
261.03055	1.2
263.02927	0.8
266.14261	0.6
272.94327	12.9
274.97473	3.9
277.00745	97.9
277.03860	3.3
277.98099	0.9
278.00876	6.6
282.01248	0.7
282.99997	1.1
290.95355	9.2
292.98492	0.8
294.98523	1.0
295.01886	2.0
295.05557	3.3
295.95764	1.1
300.02390	1.1
301.01016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
55.05496	1.0
57.07064	14.2
58.06577	0.3
67.05479	0.5
68.05000	0.6
69.07057	0.4
70.06574	26.7
71.08613	6.6
72.04485	0.4
79.05496	0.3
81.07014	1.2
84.08112	2.8
85.05255	0.5
85.10188	1.9
86.06012	0.4
86.09676	1.3
88.07610	29.2
92.08924	1.1
93.07029	0.5
95.08583	0.4
97.65678	0.3
99.78745	0.3
102.09150	1.5
106.08656	3.7
114.09154	8.3
116.14345	0.2
118.08635	2.6
130.08612	0.4
132.10179	32.8
140.36742	0.3
150.11229	26.7
152.32204	0.3
152.89291	0.3
202.80519	0.3
242.24709	2.4
254.69525	0.3
256.26328	2.2
271.70474	0.3
274.27362	10.0
288.58969	0.3
318.29965	100.0
319.30298	1.0
328.56378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81967	0.7
55.05491	1.4
56.04768	0.7
56.05029	16.6
56.96557	2.7
57.06808	0.9
57.07064	14.3
58.06586	7.1
60.04512	7.9
61.58353	0.6
64.00631	0.7
64.10325	0.7
65.03925	0.7
69.07054	0.9
71.08617	6.1
73.01639	0.6
74.06059	14.5
79.05456	1.0
81.07042	1.6
83.61876	0.9
85.10142	1.4
88.07612	69.2
91.05462	100.0
92.05792	4.4
92.09026	1.8
96.68980	0.7
97.06516	8.6
98.06841	4.5
104.07034	1.2
109.06493	6.7
109.10083	0.9
110.06821	3.6
110.13111	1.0
114.37769	0.8
116.98574	0.8
118.08633	10.3
118.72402	0.7
122.08109	5.2
133.10098	0.9
208.47737	0.8
256.26419	0.9
270.27850	54.1
282.27985	1.1
300.28909	1.8
314.22208	0.7
318.25098	3.9
318.29962	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01852	0.6
57.03426	0.7
61.02905	1.0
65.03915	0.3
69.03408	1.6
80.64993	0.1
81.03394	0.9
85.02414	0.3
85.02892	5.7
86.09675	0.6
91.03913	0.2
91.05469	3.1
93.07025	7.2
95.04941	1.3
97.02886	1.5
98.97523	0.2
103.05453	4.1
105.04450	0.2
109.02888	0.3
121.02848	26.2
121.06483	100.0
122.06860	0.2
127.03889	0.6
128.88632	0.1
138.09094	0.4
139.03885	20.6
141.06619	0.2
145.04910	0.6
156.10179	0.2
177.84567	0.1
222.95212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16811	0.2
53.03933	0.3
55.01871	0.4
57.03426	1.3
61.02913	3.2
65.03931	1.3
67.86635	0.2
69.03410	4.0
70.06583	0.5
71.04967	0.9
73.02903	1.2
81.03396	2.0
85.02888	15.1
87.04468	0.4
88.55743	0.2
91.03959	0.4
93.03407	0.3
97.02867	4.5
99.04424	0.4
109.02861	1.6
121.02840	100.0
127.03874	1.4
133.60649	0.3
139.03882	68.9
145.04929	1.9
228.61415	0.3
239.03467	0.2
245.24365	0.3
278.24350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.7067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.6
57.07067	14.3
58.06596	3.3
60.04488	0.4
69.07041	0.9
70.06578	30.1
71.08611	5.3
72.08134	0.7
74.06057	0.4
81.81576	0.4
85.10166	2.0
86.09666	0.6
88.07615	41.1
100.02409	0.6
102.09159	24.3
107.95379	0.4
132.10262	0.4
146.11700	0.7
155.41324	0.4
212.23653	2.3
256.26297	67.7
300.28952	5.5
318.29974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2469
Annotation	3-Hydroxypregn-5-en-20-one
Peak:m/z	Relative Intensity
55.05499	12.6
66.42934	2.1
67.05479	21.7
68.08901	2.2
69.07053	10.4
71.04973	23.7
79.05473	23.1
81.07034	71.1
83.08595	11.8
85.06517	15.9
91.05455	28.5
92.08912	4.1
93.07018	39.3
95.04974	4.0
95.08587	36.0
97.06482	22.1
97.10104	2.9
105.07013	54.5
107.08564	43.2
109.06496	11.2
109.10147	19.0
117.06994	26.0
119.01900	2.5
119.08555	39.6
121.10105	17.9
123.11724	4.1
129.06999	10.7
131.08542	44.3
133.10095	39.3
135.11647	17.9
142.07722	4.8
143.08548	27.7
144.09361	3.6
145.10107	46.1
147.11655	40.2
149.13240	13.2
151.11137	4.3
151.27940	2.4
155.08528	5.3
157.10124	44.7
159.11659	100.0
161.03061	3.8
161.13228	19.8
169.10136	5.0
171.11636	19.7
173.13214	22.0
175.11159	5.3
175.14801	19.1
183.11697	18.7
184.99295	2.7
185.02997	5.0
185.13306	18.5
185.14647	2.6
187.14787	4.1
189.12709	4.5
196.12413	3.5
197.13243	10.8
199.14807	18.6
201.16377	15.6
203.03989	5.6
211.14813	20.8
213.16350	5.6
215.17900	10.6
217.15889	4.6
225.16342	15.9
239.17911	4.5
241.19423	12.0
253.19394	3.0
255.20988	23.7
281.22595	63.2
284.10040	3.0
299.23587	73.6
306.32788	2.5
315.69312	3.1
317.24725	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	317.2473
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
50.27412	2.4
53.22952	2.4
54.81709	2.8
55.05500	13.9
56.96550	5.1
67.05498	34.4
69.07051	12.7
71.04963	11.7
79.05476	37.4
80.05789	3.3
81.07044	59.8
83.04958	5.2
83.08579	11.3
84.48978	2.4
85.06522	6.3
91.05464	30.2
92.08611	4.7
93.07032	50.5
94.07398	2.9
95.08588	55.6
97.06467	3.9
98.97571	13.4
103.52821	3.0
105.07013	58.5
106.07320	2.9
107.08579	57.8
109.06505	13.7
109.10130	32.7
116.98604	6.6
117.07008	24.7
117.16422	2.5
119.08558	44.3
121.10107	33.4
123.08053	17.6
123.11702	17.6
129.06964	12.4
131.08556	37.3
133.10103	39.9
134.99614	10.6
135.08029	3.5
135.11658	19.9
143.08531	23.5
144.09317	4.7
145.10101	72.8
146.10439	3.8
147.11681	40.8
149.13260	6.1
155.08501	10.2
156.09315	3.3
157.10110	29.8
159.11673	52.6
161.13261	25.3
163.11147	4.2
167.28914	2.9
169.10072	19.6
171.11626	21.1
173.13188	26.5
175.14757	12.9
183.11641	13.2
185.13264	20.1
187.14798	18.3
189.12572	4.5
197.13239	23.9
199.14812	30.0
201.16298	4.8
210.71782	2.7
211.14761	14.7
213.16440	6.9
215.17754	3.4
221.17856	3.1
225.16385	25.8
239.17876	15.8
241.19359	6.7
252.18762	3.4
253.19371	4.1
255.20898	28.7
271.20544	6.6
273.22116	3.9
281.22568	98.5
299.23599	100.0
317.24606	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2472
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
55.05506	8.3
55.33101	0.9
57.07071	1.7
60.74202	1.0
67.05497	20.2
69.07048	7.6
71.04978	17.1
79.05482	21.4
81.07043	37.9
81.62655	1.0
83.08612	5.2
85.06528	22.4
91.05463	37.0
92.09278	1.6
93.07025	49.4
95.04897	1.6
95.08585	37.7
97.06520	1.2
105.07018	56.6
105.48948	1.0
107.08578	52.5
107.09293	2.1
109.10139	28.5
109.10847	1.5
111.08045	1.4
113.09624	1.6
117.07005	24.0
118.59390	1.0
119.08562	41.2
121.10123	37.1
123.11678	7.8
128.06229	2.4
129.07036	7.7
130.07756	4.6
131.08551	37.0
133.10110	92.5
135.11681	29.1
135.25085	1.1
137.09633	4.7
141.07045	2.0
142.02309	1.3
143.08540	16.3
144.09386	2.2
145.10110	100.0
147.11670	34.4
147.12741	1.9
149.09602	1.4
149.13232	19.4
151.11151	31.9
155.08499	8.4
156.09309	4.3
157.10097	25.7
158.10970	1.4
159.11665	57.9
161.13228	33.2
163.11153	51.1
163.14813	2.4
165.12715	2.1
169.10083	8.0
171.11661	18.8
173.13219	18.2
175.11107	2.4
175.14777	9.0
177.12730	2.4
177.16388	1.1
179.14368	1.4
183.11713	6.2
185.13210	16.0
187.14795	17.9
189.12721	4.4
191.14276	2.3
197.13225	9.6
199.14799	17.7
201.16316	2.1
203.14288	1.4
211.14784	13.4
212.15646	1.5
213.16348	4.4
215.17928	5.6
217.15729	1.2
225.16348	16.6
229.19487	1.9
239.17868	5.0
241.19443	13.4
253.19423	12.7
255.21045	13.4
271.20520	26.0
273.22174	2.5
281.22592	69.2
299.23636	86.3
317.24731	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	317.2471
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
50.74118	1.1
55.01842	1.4
55.05495	6.9
61.05244	1.6
67.05491	19.2
69.07043	7.1
71.04977	18.3
75.35245	1.4
79.05476	23.4
81.07043	36.6
83.08607	6.2
84.33086	1.3
85.06526	19.2
91.05471	21.0
92.08817	1.7
93.07025	39.1
95.08586	40.4
97.06445	1.5
105.07007	45.9
105.07658	2.6
107.08581	47.3
109.06476	2.6
109.10143	26.6
117.07005	9.6
119.08557	38.9
121.10127	29.1
123.08054	2.6
123.11697	3.1
127.63982	1.6
129.06958	7.6
131.08551	32.7
133.10109	54.7
135.11670	24.3
137.05942	1.8
142.07808	1.9
143.08533	17.1
144.09286	2.3
144.75310	1.7
145.10107	67.3
147.11658	33.6
149.13271	13.3
151.11169	13.7
155.08519	6.1
157.10085	16.6
159.11656	45.9
161.13235	27.4
163.11191	14.2
163.14804	3.3
165.12756	1.8
169.10078	7.5
171.11662	11.5
173.13226	19.2
175.14781	9.0
177.12708	2.5
177.16362	2.2
183.11682	6.6
185.13251	17.2
187.14738	12.5
189.12621	2.4
189.16357	8.9
197.13208	7.2
199.14786	14.7
201.16360	2.0
203.14232	1.8
205.15952	1.7
211.14775	13.3
213.16396	6.4
215.17921	3.7
217.15889	3.1
225.16289	15.5
229.19383	2.5
239.17863	6.0
241.19411	14.6
252.18524	1.6
253.19394	10.8
255.20992	16.3
255.23404	1.7
271.20514	32.9
273.22119	6.6
281.22580	65.5
299.23642	100.0
317.24734	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.247
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
53.05042	1.1
53.35284	0.9
54.53217	1.0
55.05504	8.1
55.65364	1.1
57.43003	1.2
57.85876	1.1
67.05502	12.1
67.19894	1.1
69.07049	6.4
71.04977	11.2
72.57860	1.2
79.05482	14.8
81.07037	33.9
81.07481	2.7
83.08607	8.4
85.06535	31.2
91.05469	16.1
92.08904	8.7
93.07021	35.3
95.08578	31.9
97.10147	1.7
99.08075	1.7
105.07011	33.2
107.08582	30.9
109.10138	14.7
117.07006	8.2
119.08559	22.5
121.10138	14.2
121.36340	1.2
123.11649	2.1
127.45571	1.3
129.06985	5.3
131.08539	33.0
133.10121	20.7
135.11670	13.9
137.09579	7.2
138.29385	1.4
142.07806	1.8
143.08553	14.2
145.10097	32.0
147.11671	20.7
149.09654	1.5
149.13211	12.2
155.08595	1.8
156.09325	1.5
157.10123	15.7
159.11662	38.7
161.13214	16.5
163.14819	2.4
168.06664	1.5
169.10077	7.7
171.11644	19.4
173.13232	17.8
174.11978	1.4
175.14786	13.6
183.11646	8.3
185.13257	16.9
187.14833	10.5
189.12637	11.2
197.13179	17.6
199.14818	17.1
201.16365	6.0
211.14786	15.7
213.16377	7.9
215.17920	6.5
217.15819	5.5
225.16281	21.0
229.19351	1.7
239.17931	5.8
241.19508	9.1
243.17461	3.1
253.19463	77.0
255.21048	11.1
257.22519	1.8
281.22577	100.0
299.23633	82.3
317.24722	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	317.2472
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
54.82256	1.2
55.05495	7.7
56.90808	1.0
67.05481	17.1
69.07054	5.3
71.04971	9.2
72.28411	1.0
76.54820	1.4
79.05460	16.6
81.07034	28.6
83.08589	2.9
85.06539	20.1
89.11340	1.2
91.05453	23.8
92.08909	2.7
93.07018	36.1
95.08586	27.2
97.06490	1.7
97.10136	1.4
105.07004	40.6
107.08572	34.5
109.06499	2.1
109.10139	22.0
117.06985	11.2
119.08554	31.5
121.10114	24.1
123.11674	2.4
128.47899	1.9
129.06982	6.3
131.08542	29.7
133.10103	42.2
134.88708	1.3
135.11662	17.6
137.09625	2.1
143.08548	12.1
144.76968	1.5
145.08961	2.6
145.10097	57.9
147.11673	31.1
149.13210	12.0
151.11157	13.5
155.08501	6.8
156.09305	1.6
157.10068	15.1
159.11655	33.2
161.13213	26.2
163.11136	12.0
163.14900	1.9
169.10107	6.8
171.11633	17.5
173.13248	17.9
175.14786	7.9
177.12694	2.3
183.11636	8.2
185.13211	11.1
187.14781	12.6
189.12694	2.3
191.14140	1.4
197.13182	8.6
199.14763	16.6
201.16359	2.6
203.14162	2.9
208.47354	1.5
211.14810	10.1
213.16434	2.3
215.17940	2.7
217.15932	1.9
225.16321	13.8
227.17909	1.6
229.15523	1.8
239.17874	2.9
241.19444	11.1
243.17519	2.2
253.19354	10.8
255.20996	8.1
271.20486	29.6
281.22598	69.4
299.23618	100.0
317.24646	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	317.2472
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
54.14910	3.0
55.05502	14.9
56.34810	3.4
59.17210	3.0
59.38861	3.2
60.78026	3.2
61.02885	3.7
61.63400	2.9
67.05492	35.9
69.07047	6.8
75.89912	3.2
79.05470	34.0
81.06674	3.4
81.07049	65.0
83.08579	14.8
89.32712	4.1
91.05479	33.3
93.07023	75.0
95.04968	5.4
95.08581	48.6
97.06483	18.2
105.07015	56.9
107.08588	60.5
109.10146	37.6
117.07024	8.9
119.08568	54.5
120.52719	3.5
121.10101	52.6
123.11597	4.7
129.06953	6.5
129.41162	3.5
131.08560	36.0
133.10115	47.1
133.74193	3.3
135.11668	62.3
137.09592	4.0
137.52269	3.8
143.08511	20.0
145.10110	44.8
147.11678	25.5
149.13243	15.8
151.11191	13.9
155.08543	3.8
157.10138	21.7
159.11650	29.8
161.13168	15.1
163.11153	42.2
163.14799	5.7
171.11626	33.1
173.13240	26.5
175.14764	20.1
181.12172	30.6
183.11716	6.8
185.13228	21.1
187.14696	26.2
199.14746	20.5
201.16383	6.1
213.16318	4.1
225.16362	13.9
227.17909	6.7
239.17914	5.0
244.19516	3.4
253.19435	8.2
255.21016	29.3
257.22534	5.0
281.22607	100.0
299.23630	75.1
317.24698	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2472
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
51.94486	1.2
55.05499	9.4
62.29092	1.2
65.45327	1.1
67.05482	19.7
69.07038	6.1
69.56282	1.2
70.68733	1.2
71.04980	13.8
71.81736	1.4
75.43478	1.2
75.99525	1.2
79.05476	28.0
81.06587	2.5
81.07032	33.1
81.54625	1.2
83.08593	2.8
83.09822	1.3
85.06529	22.8
91.05462	25.0
93.06482	2.0
93.07021	37.4
95.04932	2.0
95.08579	39.1
97.06477	2.9
97.10143	5.9
100.03278	1.2
105.07012	37.4
107.08576	41.4
109.06482	1.9
109.10145	24.0
110.46777	1.3
111.08028	2.9
113.09593	1.4
117.06988	9.8
119.08574	37.2
121.10114	28.4
122.19507	1.5
123.08057	1.6
123.11683	5.9
129.06979	5.8
131.08543	29.1
133.10095	26.7
135.08064	1.2
135.11659	20.1
137.09587	5.6
143.08571	10.4
145.10104	53.6
147.11662	37.0
149.13200	10.4
151.11137	2.3
155.08556	2.5
157.10106	20.5
159.11668	40.3
161.13225	22.8
163.11115	6.6
163.14783	5.1
165.12721	10.3
169.10071	9.8
171.11664	14.3
173.13223	20.4
175.14781	6.1
177.12602	1.4
179.14272	2.9
183.11635	6.8
185.13205	18.2
187.14821	24.3
189.12750	2.2
189.16327	1.7
191.14331	2.3
193.15852	1.6
196.12354	1.9
197.13248	10.9
198.13864	1.8
199.14815	18.0
201.16321	6.3
203.14262	2.4
205.15833	2.5
211.14774	11.8
213.16408	2.6
215.17900	6.1
217.15764	2.2
225.16331	16.2
239.17891	5.6
241.19464	8.0
243.17390	1.5
253.19458	6.6
255.20932	6.7
257.22342	1.5
267.35175	1.4
271.20523	45.3
276.57367	1.3
281.19427	2.0
281.22586	82.2
299.23642	100.0
317.21216	2.4
317.24704	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.247
Annotation	20alpha-Hydroxy-4-pregnen-3-one
Peak:m/z	Relative Intensity
52.57322	0.3
55.01859	0.7
55.05499	1.0
56.74209	0.4
63.56131	0.4
65.86929	0.4
67.05501	3.3
69.07042	2.0
79.05471	8.9
81.07035	12.7
83.04957	5.5
91.05458	3.3
93.07020	6.8
95.04908	0.5
95.08580	9.8
97.06508	100.0
104.63041	0.5
105.07017	5.6
107.04964	0.6
107.08577	5.9
109.06499	97.0
109.10149	5.3
117.07030	0.5
119.08560	5.1
121.06486	0.7
121.10115	5.3
123.08041	12.1
123.11675	2.2
129.06970	0.5
131.08531	2.2
133.10114	4.4
135.11650	2.0
137.09589	0.7
145.10075	2.5
147.11667	3.7
149.09605	0.8
149.13220	2.4
157.10104	0.8
159.11673	2.4
161.13210	1.8
163.11177	1.9
171.11656	1.7
173.13222	3.9
175.14813	1.8
177.12689	3.4
185.13222	1.5
187.14790	2.2
189.16354	1.0
191.17989	0.5
199.14738	0.7
203.14345	0.8
203.17918	2.6
208.71843	0.5
211.14749	0.5
213.16319	0.7
215.17995	0.5
217.19557	0.7
225.16354	0.5
229.15877	0.5
241.19389	0.7
247.98848	0.4
255.21082	1.8
260.72296	0.5
273.22076	1.0
281.22620	5.5
299.23618	5.7
317.24689	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	317.2471
Annotation	20alpha-Hydroxy-4-pregnen-3-one
Peak:m/z	Relative Intensity
54.32915	0.4
55.05500	1.1
64.33243	0.5
67.05492	4.2
68.42381	0.5
69.07043	2.6
71.04951	2.4
79.05470	9.5
81.07032	12.8
83.04965	5.8
87.05863	0.5
91.05447	2.2
93.07017	7.4
95.08587	9.9
97.06507	96.9
103.41309	0.5
105.06997	4.3
107.04945	1.1
107.08565	7.2
109.06500	100.0
109.10141	5.7
117.06953	0.8
119.08558	5.4
121.06470	2.4
121.10119	7.4
123.08034	11.0
123.11660	2.8
131.08528	2.9
133.10075	5.1
135.11659	3.8
135.90688	0.5
139.87259	0.7
143.08488	0.8
145.10144	3.9
147.11690	3.8
149.09590	1.0
149.13223	2.8
155.08531	0.5
157.10107	2.0
159.11627	2.9
161.13223	2.1
163.11266	0.7
163.14841	0.5
171.11658	1.1
173.13242	3.2
175.14781	1.0
177.12685	4.2
185.13295	0.8
187.14772	0.9
189.12689	0.7
189.16301	1.1
197.13136	0.7
199.14813	1.2
203.14209	0.6
203.17920	2.8
213.16342	0.5
215.17851	1.0
219.84981	0.5
225.16321	0.9
241.19473	0.8
255.21086	2.1
273.22037	2.1
281.22467	7.1
299.23682	7.5
317.24686	62.2
328.13107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2471
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
51.24466	1.3
55.05496	8.4
64.33279	1.6
67.05487	17.0
69.07047	3.7
69.48323	1.9
71.04963	17.9
79.05470	28.2
81.07030	36.3
83.08609	3.3
85.06522	23.2
85.50797	1.7
88.38450	1.8
91.05459	26.6
92.08804	2.7
93.07027	41.6
95.04929	2.7
95.08579	37.4
97.06496	2.6
97.10110	2.1
105.07006	42.5
107.04937	2.7
107.08573	52.8
109.10140	21.5
116.43780	1.9
117.07000	11.1
119.08536	33.9
121.10111	26.5
123.11687	7.9
125.09652	2.1
129.06984	3.7
131.08516	24.3
133.10104	38.9
135.11647	20.0
137.09538	3.8
142.07750	1.8
143.08525	14.6
144.32507	2.2
145.10103	55.7
147.11665	42.5
149.13217	9.7
151.11195	3.7
151.83476	2.5
155.08585	4.6
157.10118	15.5
159.11646	42.8
161.13237	27.2
163.11147	9.5
165.12750	11.1
169.10080	10.8
171.11670	14.3
173.13208	23.8
175.14821	3.6
183.11685	7.5
185.11751	1.8
185.13176	16.5
187.14780	21.6
197.13249	11.9
199.14732	15.4
201.16409	3.8
203.14540	3.0
205.15846	3.0
211.14772	12.1
213.16368	7.9
215.17914	2.2
225.16312	14.6
239.17924	9.6
240.07217	2.1
241.19548	2.8
243.17517	2.1
253.19432	4.4
255.20993	4.6
257.22763	2.2
268.11838	2.1
271.20526	37.3
281.22571	74.6
286.26712	2.1
299.20355	4.7
299.23602	100.0
317.21158	3.7
317.24628	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	9-Deoxy-xeniolide A
Peak:m/z	Relative Intensity
50.47849	0.9
53.69185	0.9
55.05497	5.4
67.05498	17.0
69.07043	5.1
71.04984	4.8
79.05479	24.3
81.07035	24.7
83.08604	2.1
85.06518	6.5
91.05464	31.1
92.09087	2.3
93.07024	35.5
95.04960	1.6
95.08584	24.1
105.07017	37.8
107.08572	30.3
109.06503	2.2
109.10145	12.8
111.08081	1.2
113.05962	1.2
117.06999	29.4
119.08566	29.8
121.06485	1.8
121.10120	26.9
123.11694	1.8
128.06163	1.6
129.06960	6.5
130.07739	2.2
131.08549	21.2
133.10117	35.1
135.11678	12.6
141.06987	1.3
142.07808	1.7
143.08559	13.5
145.10106	100.0
147.11679	23.2
148.19295	1.2
149.13243	2.1
151.11179	9.8
155.08527	2.8
156.09401	1.4
157.10118	16.2
159.11664	33.7
161.09604	1.4
161.13251	9.4
163.09787	2.3
163.11150	63.0
169.10085	5.4
171.11633	10.5
173.13202	10.1
175.14790	1.9
177.12671	1.4
183.11696	6.0
185.13190	8.2
187.14766	5.1
191.10667	1.8
197.13219	10.6
199.14830	4.8
201.16389	4.8
203.10629	1.8
211.14848	6.3
213.16359	6.2
221.13217	1.3
223.14786	1.6
225.16357	5.1
253.19499	23.0
255.21082	2.0
264.13065	1.3
271.20511	14.6
281.18921	6.8
281.22580	13.8
299.19983	39.1
299.23624	18.0
304.34317	1.2
317.21021	12.5
317.24619	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	317.1592
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03936	1.2
55.05505	2.1
57.03412	1.5
57.07067	3.6
59.04985	1.6
61.02916	1.7
67.05488	32.0
69.03413	26.9
69.07056	6.1
71.01326	3.7
71.04972	22.8
71.05333	1.6
72.09196	0.8
72.15452	0.8
79.05460	1.2
81.03398	1.3
81.07025	11.7
81.07410	0.8
83.04950	1.3
85.02891	14.4
85.06528	3.2
87.04439	1.2
91.05467	3.3
93.07023	2.0
93.93478	1.0
94.16482	0.9
95.04967	7.1
95.08580	11.8
97.02863	5.6
97.06492	6.2
98.97552	1.0
99.04430	15.7
101.18459	1.0
105.06982	1.2
107.04946	1.4
107.08588	3.4
109.06480	4.3
109.10136	85.5
111.08067	4.3
113.05983	15.4
113.09604	3.3
116.98553	1.3
119.08543	3.8
121.06464	1.2
122.07271	13.3
135.08078	0.9
137.05986	1.5
137.09590	100.0
139.11111	1.2
155.10634	96.1
234.67886	0.8
277.37741	0.9
325.04425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	34.5
56.96561	9.8
57.03437	3.2
57.07071	54.2
57.07347	4.0
60.04504	16.5
67.05492	75.0
69.07057	48.0
70.06582	16.0
71.08620	36.6
71.91370	2.4
71.95229	2.7
71.96696	2.4
75.04034	3.0
75.14641	2.5
78.18678	2.8
79.05473	12.3
81.07042	69.9
83.08604	33.9
85.06523	3.1
85.10152	9.7
87.04455	100.0
88.07607	19.1
91.05491	11.1
92.64443	2.6
93.07028	16.3
95.08593	57.5
97.06483	3.7
97.10158	18.4
98.97580	18.7
101.06025	3.5
102.09177	10.8
105.07024	14.9
105.34562	2.6
107.08588	13.2
109.10146	88.4
111.08069	3.5
116.98606	18.3
119.08617	5.0
121.10133	3.8
123.11671	9.1
127.11106	6.5
127.78098	2.5
133.10129	6.2
134.99669	10.7
137.09625	10.3
141.12675	3.3
147.11653	5.4
149.13358	3.0
153.00728	3.0
155.14346	2.8
161.13266	3.3
173.11786	10.3
216.13425	2.6
245.22624	10.7
256.26358	38.1
263.23709	6.7
270.93851	3.0
274.97461	3.6
280.26230	3.3
289.70557	3.2
292.98550	4.2
298.27350	9.7
299.22278	5.5
299.25763	11.9
316.28397	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.74866	0.2
55.01867	0.5
55.05507	6.1
56.05029	5.9
56.96561	1.3
57.03424	1.2
57.07074	2.5
58.02964	0.5
58.06575	0.3
60.04514	100.0
67.05495	11.6
68.05016	1.1
69.07053	7.8
70.06588	1.3
71.08607	1.1
72.04501	2.1
74.06063	2.2
79.05472	5.8
80.05007	1.1
81.07039	9.8
82.06570	1.9
82.66734	0.3
83.04981	0.4
83.08600	4.1
84.04455	0.3
86.06074	0.6
87.04445	4.0
90.05540	1.3
91.05460	3.1
93.07017	3.8
94.06535	1.0
95.04927	0.9
95.08582	9.5
96.08094	0.6
97.06499	0.4
97.10143	1.6
98.97581	1.9
99.08055	3.0
100.07611	0.4
102.09174	0.4
103.24323	0.3
104.20898	0.3
105.07019	2.2
105.27503	0.3
107.08583	2.0
107.62238	0.3
109.10139	2.9
111.08042	0.4
111.11711	0.3
112.07582	0.5
116.98605	1.7
119.08581	1.8
121.10140	1.7
123.11708	0.5
133.10074	1.1
134.99585	2.0
135.11682	0.4
147.11632	0.3
249.00980	0.3
250.25192	1.5
256.26285	1.5
262.25232	1.4
268.26254	0.5
280.26263	6.7
292.98645	0.4
298.27374	7.4
302.88550	0.3
316.28415	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2527
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.03947	1.2
55.01860	1.5
55.05503	26.9
57.03424	2.7
57.07062	4.3
59.04980	0.7
64.35473	0.6
65.03913	0.9
67.05491	84.4
69.07055	27.9
71.04974	7.5
77.57950	0.6
79.05474	24.2
81.07037	100.0
83.04969	2.8
83.08600	11.7
85.06531	6.4
91.05459	13.1
93.07018	27.2
95.04987	2.4
95.08585	77.0
97.06509	6.0
97.10164	6.1
105.07001	12.1
107.08572	19.0
109.06492	1.1
109.10139	37.6
111.08085	1.6
111.11677	1.1
117.07018	2.6
119.08545	11.7
121.10108	15.7
123.08031	2.5
123.11676	12.0
125.09554	1.0
127.07469	0.8
131.08536	7.6
132.51810	0.7
133.10132	7.7
135.08017	1.2
135.11662	11.6
137.09608	1.0
137.13234	4.5
139.11185	0.8
141.76196	0.7
145.10059	5.5
147.11642	7.6
149.13237	4.5
151.11171	1.2
154.89261	0.7
155.10638	1.1
159.11670	3.0
161.13278	4.8
165.12718	2.7
169.01659	0.7
173.11705	7.3
173.13226	4.1
175.14775	1.0
179.14264	3.1
187.14761	1.5
209.15390	0.7
219.21062	0.9
243.20976	3.8
261.22061	12.0
279.23154	26.6
297.24243	5.9
298.30322	0.7
326.16870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2315
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.03941	0.4
53.14400	0.3
55.01863	0.4
55.05483	0.5
55.98196	0.4
58.85506	0.4
67.05479	2.8
67.05800	0.4
69.07060	1.9
71.04954	0.5
79.05473	8.6
81.07034	8.1
82.50658	0.4
83.04962	3.0
85.06535	2.3
89.94483	0.4
91.05449	2.5
93.07008	3.7
95.04980	0.4
95.08580	4.6
97.06506	100.0
98.97567	0.6
105.07001	3.6
107.08586	4.1
109.06497	97.6
109.10155	0.7
110.16110	0.5
117.07024	0.5
119.08560	3.5
121.06484	0.8
121.10108	2.4
123.08043	9.1
131.08533	2.2
133.10103	2.5
134.99631	0.5
135.11674	0.9
137.09605	1.0
145.10098	3.5
147.11714	3.3
149.05946	0.5
149.09596	0.8
149.13245	0.5
157.10080	0.5
159.11649	2.3
161.13217	0.8
163.11143	0.8
171.11649	1.8
173.13235	1.0
177.12708	1.8
183.11687	0.5
185.13245	1.0
187.14684	0.5
189.12680	0.7
189.16437	0.5
199.14931	0.5
201.16350	1.6
213.16336	0.5
215.17903	0.7
223.14688	0.5
227.17838	0.9
239.17938	1.0
255.21002	0.6
257.30188	0.4
260.27023	0.5
273.22015	0.8
279.20844	0.8
297.22079	5.6
315.23105	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.05492	4.6
55.20058	2.6
57.03438	4.3
59.75705	2.3
62.86010	2.6
65.31743	2.7
67.05500	5.4
69.85452	2.5
79.05489	12.0
80.50543	2.4
81.07048	23.5
83.05070	2.4
91.05486	6.6
93.07013	18.7
95.08586	33.1
97.06531	4.6
98.97562	5.0
105.06995	21.1
107.08575	13.1
109.10163	11.7
112.36410	3.0
116.98590	4.9
117.06970	4.5
119.08558	88.2
121.10146	12.7
122.69530	2.6
123.08036	5.5
123.11655	3.1
131.08549	26.1
133.10110	46.3
134.99565	3.0
135.07993	3.3
135.11702	4.0
143.08549	5.2
144.09129	2.9
145.10107	23.7
147.11700	14.7
157.10106	5.2
159.11720	19.9
161.13266	13.4
163.11223	5.9
171.11673	11.6
173.13243	42.7
185.13293	3.6
187.14810	35.0
197.13235	3.9
279.20923	6.2
297.22104	81.2
315.19693	4.3
315.23160	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	315.2315
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.01867	2.4
55.05489	4.2
67.05486	8.1
69.07034	2.6
71.04973	10.3
75.45918	1.8
76.44382	1.7
79.05484	7.6
81.07049	13.4
85.06538	13.0
91.05459	4.3
92.09353	2.0
93.07030	16.2
95.08559	20.7
97.06509	3.6
98.05036	1.6
98.97604	2.1
105.07013	23.6
107.08571	21.5
109.06517	7.6
109.10152	13.8
117.06958	1.9
119.08554	20.2
121.10119	9.6
123.08043	35.1
123.11638	1.9
131.08549	11.1
133.10126	16.0
135.11641	12.9
143.08580	3.8
145.10130	22.4
147.11665	15.8
149.13242	2.8
157.10112	11.1
159.11685	18.7
161.13216	17.2
163.11090	2.2
171.11682	7.6
173.13280	10.8
183.11652	7.8
185.13284	8.3
187.14796	20.8
197.13228	8.2
197.38359	1.9
199.14790	6.9
201.16371	1.8
203.14346	3.5
205.15891	8.5
211.14755	2.8
213.16376	8.0
223.14861	2.1
227.14246	3.5
227.17995	9.3
239.17963	4.0
241.15837	11.0
245.18967	8.2
245.71561	1.8
251.17873	2.3
253.19484	14.1
255.21100	12.5
257.19034	2.4
271.20441	3.4
279.20990	7.6
297.22073	58.6
315.23145	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	315.2317
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.05499	12.5
55.71153	1.8
67.05487	23.0
69.07040	9.8
71.04974	3.7
74.76557	1.8
79.05476	44.8
81.07038	40.8
83.08578	2.8
83.38775	1.7
85.06514	11.4
89.64947	2.3
91.05451	41.6
93.07023	60.0
95.04964	2.4
95.08601	32.9
97.06506	9.6
98.97523	4.4
99.08065	3.1
99.22620	1.8
105.07024	60.2
106.11325	2.1
107.08582	61.2
109.06465	7.6
109.10128	16.2
111.08075	7.0
114.17252	1.8
116.98624	2.2
117.06997	15.0
119.08558	50.8
121.06466	2.1
121.10124	28.5
123.08054	4.7
128.06229	3.7
129.06952	9.8
131.08556	36.3
133.09184	2.4
133.10109	41.8
135.08029	18.1
135.11656	17.7
137.09615	11.1
141.06990	3.2
142.07767	9.7
143.08525	28.6
145.10107	53.3
147.08070	2.1
147.11662	34.2
149.09581	4.3
149.13249	8.9
151.11165	2.7
155.08556	14.6
156.09378	4.6
157.10092	35.9
159.11661	44.6
161.09648	2.4
161.13240	42.2
163.11125	3.7
163.14815	2.7
169.10117	13.4
171.11652	25.9
173.13235	22.1
175.11177	4.5
175.14729	15.5
177.12727	3.8
181.10095	7.6
182.10925	2.2
183.11678	15.5
185.13232	21.6
187.11151	4.6
187.14848	14.7
189.12706	13.0
189.16290	2.7
195.11678	10.3
197.13210	18.5
199.14786	16.4
201.12672	12.3
201.16289	4.3
203.14297	16.3
208.12494	2.2
209.13167	14.9
211.14740	4.0
211.60318	1.9
213.16347	8.1
215.14291	13.3
217.15916	2.4
221.13177	2.1
223.14847	21.7
225.16272	3.3
229.15773	2.6
237.16298	11.2
239.17880	8.8
250.17056	2.4
253.19447	8.7
255.21031	4.2
274.97333	2.1
279.20987	60.3
297.22070	100.0
312.69556	2.0
315.23160	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2315
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.03925	1.6
54.43764	1.1
55.05490	7.8
56.06992	1.2
56.60393	1.1
56.96549	6.7
67.05496	15.1
69.07055	5.9
70.05618	1.3
70.35876	1.1
71.04976	18.3
79.05476	21.3
81.07035	20.2
83.08614	3.0
85.06524	15.2
91.05436	20.9
93.07018	32.3
95.04932	1.6
95.08574	22.4
98.97580	12.1
105.07010	38.1
107.08565	35.9
109.06498	7.8
109.10139	12.6
111.08046	2.9
116.98574	13.8
117.06984	9.9
119.08553	25.7
121.10133	14.8
123.08061	10.0
123.11708	3.1
128.06212	2.3
129.07010	7.3
130.07718	1.7
131.08534	33.5
133.10106	17.9
134.99635	11.0
135.11685	3.3
137.09610	2.1
141.02229	1.9
141.07002	2.5
142.07785	1.9
143.08516	17.4
144.09320	2.5
145.10112	52.5
145.50603	1.4
147.11632	16.5
153.06673	1.5
155.08530	8.8
156.09348	5.5
157.10115	25.9
159.03214	1.6
159.11655	30.7
161.13242	7.7
164.81973	1.3
165.12698	1.7
167.08540	2.0
169.10040	12.3
170.10814	2.2
171.11668	24.9
173.13234	14.9
181.10112	8.0
182.10886	2.1
183.11685	13.0
185.13257	17.0
187.14796	2.6
189.12744	2.2
191.14236	1.7
193.10098	2.9
195.11642	9.9
196.12369	1.6
197.13200	19.7
199.14799	11.8
203.14276	7.3
207.11687	1.8
208.12424	1.8
209.13290	9.0
211.14732	7.3
213.16360	18.9
215.14267	3.2
223.14728	9.8
225.16367	3.2
227.17845	9.9
235.14792	2.0
237.16339	9.0
239.17825	10.8
241.15710	3.3
253.19380	16.9
255.17438	7.4
255.20883	5.5
257.19028	2.8
264.18509	1.8
273.22208	2.1
274.97324	2.9
279.21021	23.6
292.98489	2.0
297.22070	100.0
315.07364	5.3
315.19656	2.7
315.23120	47.8
333.08377	1.9
339.91168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2317
Annotation	Longithorone J
Peak:m/z	Relative Intensity
52.44923	0.5
55.05488	2.9
57.02679	0.5
60.96109	0.5
63.64001	0.5
67.05490	8.8
69.07046	4.0
71.04984	0.9
71.16603	0.6
77.18813	0.6
79.05470	11.1
81.07037	12.4
83.04953	7.5
83.08591	0.8
91.05464	4.6
93.07021	20.1
95.04903	0.8
95.08586	19.8
97.06505	16.6
98.97541	0.6
105.07012	13.7
107.04929	1.3
107.08572	14.5
109.06506	5.2
109.10155	6.9
117.06996	1.5
119.08578	9.8
121.06488	1.0
121.10079	6.0
123.08033	2.6
123.11700	2.4
129.06972	0.8
131.08534	6.9
133.06465	1.1
133.10100	5.9
135.08023	0.8
135.11668	75.1
142.07739	0.6
143.08562	4.2
144.09225	0.7
145.10074	6.0
147.08046	3.5
147.11684	2.8
149.09624	3.5
149.13266	1.1
155.08536	2.9
157.10085	5.9
158.07208	0.9
159.07996	1.1
159.11682	2.6
161.09561	8.9
161.13206	16.3
163.11162	4.2
169.10095	1.4
171.11649	3.1
173.09557	6.4
173.13258	2.9
175.11140	8.1
179.14288	2.4
183.11641	2.9
185.13295	0.7
187.11079	0.8
189.12724	1.1
197.13184	0.8
201.12704	2.8
201.16406	1.2
213.12801	0.7
213.16399	0.9
239.17911	2.7
253.19507	0.8
257.18994	1.1
271.20502	3.3
279.21069	1.0
297.22034	11.5
315.23126	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	315.2316
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.05500	8.4
56.96545	3.0
59.84331	1.4
67.05499	18.7
69.07045	6.8
71.04983	2.3
79.05466	21.5
81.07037	28.7
85.06542	2.1
90.18066	1.4
91.05456	27.4
93.07025	33.7
95.04932	3.0
95.08594	25.9
97.06512	6.5
98.97577	9.8
105.07016	45.0
107.08568	33.2
109.06488	3.9
109.10147	22.0
109.74500	1.6
111.08060	8.6
116.98587	6.5
117.06995	9.5
119.08570	33.9
121.10123	20.9
123.08036	3.4
128.06200	2.0
129.06967	7.7
131.08539	26.3
133.10120	22.7
134.99608	3.1
135.08035	13.1
135.11694	12.1
137.09593	9.3
141.06966	3.7
142.07755	5.5
143.08554	19.7
144.09151	1.6
145.10103	35.0
147.08092	3.2
147.11685	30.8
149.09630	3.2
149.13240	3.1
155.08524	9.6
156.09286	2.6
157.10080	14.9
159.11655	28.7
161.09612	3.1
161.13239	34.0
163.11169	3.3
169.10063	13.3
171.11658	19.3
173.13228	32.9
175.14825	11.4
177.12665	3.2
181.10115	7.5
183.11679	9.2
185.13261	11.9
187.11174	9.0
187.14790	12.8
189.12805	3.1
189.16345	1.8
195.11703	9.4
197.13237	17.0
197.63177	1.7
199.14824	7.6
201.12755	6.9
201.16417	1.9
203.02197	1.7
203.14369	7.1
209.13220	9.9
211.14760	7.5
213.16399	6.1
215.14334	9.4
217.15816	2.0
223.14787	19.9
225.16299	3.0
230.89032	1.7
235.14807	2.1
237.16302	6.4
239.17900	3.5
251.17845	3.0
253.19402	10.6
254.20163	2.2
255.21036	6.2
264.18665	2.7
268.93893	1.9
279.21017	51.9
297.22058	100.0
315.07382	2.6
315.23090	19.9
333.08401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2315
Annotation	Longithorone J
Peak:m/z	Relative Intensity
50.86173	2.5
55.05488	13.3
56.96544	15.3
57.48867	2.7
59.81791	2.4
64.79853	2.8
67.05476	22.7
68.70583	2.8
69.07043	12.7
71.04961	19.0
76.81065	3.0
79.05447	21.2
81.07030	35.5
85.06519	41.2
91.05448	31.4
93.07006	29.5
95.04963	3.6
95.08577	43.0
98.97543	33.2
105.07007	42.8
107.08562	39.5
109.06487	5.4
109.10118	14.4
116.98591	28.8
117.06982	21.1
119.08549	27.0
121.10079	16.4
123.08064	3.6
123.11619	3.6
125.63284	3.6
129.06984	11.8
130.07808	4.0
131.08524	37.7
133.10110	32.9
134.99585	22.4
135.11659	5.6
137.09579	6.5
137.72665	3.7
142.07751	14.8
143.08482	26.8
144.09372	3.1
145.10077	56.3
147.11676	22.9
155.08498	20.6
156.09227	4.3
157.10141	61.1
159.03188	5.7
159.11652	78.0
161.13179	12.9
168.09386	3.7
169.10109	14.7
171.11671	30.1
173.13159	17.5
175.11116	4.6
181.10045	6.2
183.11642	24.4
185.13203	15.1
187.02744	3.8
195.11610	14.0
197.13268	24.9
199.14714	5.5
201.12630	4.2
203.14342	4.8
209.13191	20.3
211.14749	7.0
213.16328	15.3
215.14291	7.1
223.14731	27.6
225.16335	3.9
227.14185	3.5
227.17863	3.9
237.16335	7.2
239.17886	13.5
241.15759	4.3
248.36169	3.2
250.17079	4.0
253.19502	5.0
255.17340	17.0
269.18832	5.2
274.97296	6.6
279.20990	46.3
292.98517	7.4
297.22018	100.0
315.07425	15.4
315.23138	47.2
333.08499	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	315.2316
Annotation	Longithorone J
Peak:m/z	Relative Intensity
51.56655	1.5
53.03944	2.0
55.05493	13.6
55.05723	1.5
56.96553	10.0
57.03421	4.4
57.62125	1.8
61.04522	2.0
64.63695	1.7
67.05487	32.6
69.03455	2.0
69.07050	8.5
71.04976	2.6
79.05472	25.2
81.07040	92.5
82.89828	2.2
83.08598	4.1
91.05470	38.2
93.07021	46.9
95.04944	3.3
95.08588	63.3
97.06529	2.8
98.97575	4.2
99.08096	2.4
105.07018	82.4
107.08586	37.4
109.06526	3.8
109.10127	25.0
111.08090	3.1
116.98597	9.0
117.07007	20.1
119.08554	51.7
121.06430	1.9
121.10121	12.7
123.08001	3.2
123.11691	2.4
128.06084	2.1
129.06105	2.0
129.06967	16.0
131.08545	48.2
133.10120	36.9
134.99695	2.7
135.11687	10.5
135.55876	2.0
136.30540	1.9
137.09612	3.3
141.06956	3.0
142.07762	8.6
143.08549	30.4
145.10118	59.3
147.11690	20.7
149.13283	3.1
151.11203	2.2
155.08553	23.2
157.10120	43.6
159.11679	33.2
161.01219	4.5
161.13249	16.2
165.06860	2.5
167.08502	4.3
168.09363	3.8
169.10110	13.4
171.11674	18.4
173.13211	10.5
175.14833	6.9
181.10074	8.7
182.10995	2.5
183.11664	21.4
185.13246	16.9
187.02640	2.7
187.14821	4.2
194.11028	2.4
195.11673	10.2
197.13303	16.0
199.14801	4.2
203.02286	4.1
209.13239	11.8
211.14830	11.2
212.15588	3.3
213.12711	3.3
213.16212	4.4
217.15681	2.8
223.14735	10.8
235.14661	3.2
237.16394	4.7
239.17899	15.7
253.19470	4.7
259.42023	1.9
264.18619	2.4
274.97388	2.4
279.21017	77.7
283.09344	2.0
292.98364	2.6
297.22073	100.0
313.78619	2.2
315.23123	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	315.2316
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.05502	16.7
64.63821	2.7
67.05492	15.5
71.04974	14.1
77.79776	2.7
79.05461	21.1
81.07042	46.3
83.08598	4.0
85.06528	67.5
91.05461	24.7
91.75626	3.1
93.07019	28.1
95.08569	38.5
97.06534	25.7
98.97618	4.3
100.56342	3.0
104.39528	3.3
105.07008	47.4
107.08562	27.8
109.06495	13.0
109.10168	4.9
117.06997	18.1
117.66755	3.2
119.08574	29.2
121.10147	13.1
123.08056	3.5
129.07007	12.7
131.08536	42.5
132.79829	2.9
133.10109	18.5
135.11713	4.0
137.09650	5.6
142.07761	6.4
143.08511	28.8
144.09253	4.4
145.10091	48.8
147.11662	24.0
149.13249	3.5
155.08540	16.2
157.10080	58.8
159.11650	71.1
161.13194	6.3
169.10126	13.1
170.11024	3.8
171.11639	29.7
173.13223	21.9
179.08458	3.9
181.10165	6.2
183.11726	17.7
184.39626	3.0
185.13264	16.6
194.10774	3.6
195.11694	17.5
197.13213	34.4
199.14819	19.5
209.13246	19.0
211.14824	13.1
213.16429	16.0
215.14275	16.7
223.14839	31.3
229.15836	5.4
231.17381	3.7
237.16423	6.7
239.17918	12.7
241.15907	3.6
253.19543	12.9
255.17406	12.6
255.21089	7.1
279.20953	56.5
297.22073	100.0
315.23117	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	315.2315
Annotation	16,17-Didehydropregnenolone
Peak:m/z	Relative Intensity
55.05499	23.9
60.08228	3.0
67.05494	24.3
69.07044	7.8
71.27657	2.7
74.23173	3.0
79.05473	34.4
81.07040	47.7
83.04955	21.2
83.08620	6.7
84.89125	2.9
85.06509	4.1
87.04446	3.4
91.05473	26.9
92.08546	3.6
93.07018	47.6
95.08589	57.6
96.01130	3.6
97.06509	37.9
101.05981	16.2
103.63596	2.9
105.07018	48.0
107.08572	35.0
109.06496	40.3
109.10129	21.5
113.55020	3.2
117.07003	20.2
119.07804	4.2
119.08569	42.5
121.10116	30.4
123.08057	28.6
129.06956	17.1
131.08548	73.0
133.10120	31.3
135.11694	14.5
142.07774	6.4
143.08554	30.3
145.10107	45.5
147.11694	27.7
149.13196	3.4
155.08548	15.2
157.10101	33.9
159.11665	58.0
161.13237	24.4
167.08600	4.0
169.10068	18.1
171.11607	18.3
173.13216	20.3
175.14839	10.7
181.10089	12.3
183.11664	19.5
185.13210	25.1
187.11183	5.2
187.14771	13.4
195.11679	16.0
197.13249	23.0
199.14740	17.6
201.16376	5.1
209.13202	16.0
211.14732	17.1
213.16321	5.9
215.14180	6.3
215.17885	5.0
223.14819	30.5
225.16393	5.5
227.17885	5.9
237.16313	19.1
238.81772	3.2
239.17889	20.3
241.15814	4.1
251.17833	18.6
253.19455	15.9
255.20998	7.0
257.18887	23.1
269.18964	6.1
269.22513	4.0
279.21017	72.2
297.22134	76.8
315.23141	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	315.2317
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.05500	19.5
57.07035	1.4
59.04997	1.2
59.45581	1.2
60.86972	1.3
67.05491	25.9
69.03412	1.9
69.07046	6.4
72.90765	1.1
79.05476	27.1
80.68981	1.3
81.07040	53.0
83.04973	10.5
83.08606	15.2
85.06491	3.3
87.04453	11.3
90.28117	1.7
91.05457	31.3
92.08914	6.8
93.07020	56.3
95.04927	3.1
95.08581	60.0
97.06477	1.6
101.05974	11.2
105.07009	61.5
107.08569	40.2
109.06491	2.4
109.10111	15.2
111.08023	1.9
117.06991	14.5
119.08559	40.6
121.10139	19.2
123.11662	2.5
129.06955	13.2
130.07761	1.9
131.08542	48.3
133.10112	32.8
135.08020	8.6
135.11647	19.4
141.07005	3.2
142.07756	7.1
143.08546	25.8
143.74782	1.4
144.09297	1.8
145.10101	51.5
147.11668	25.1
149.09630	2.0
149.13222	13.5
152.00182	1.6
153.09047	3.2
155.08504	19.5
157.10098	30.5
159.11658	44.5
161.13234	28.3
167.08595	2.1
169.10098	20.3
171.11658	25.9
173.13213	19.9
173.33141	1.5
175.14760	19.0
181.10060	9.1
182.10875	2.8
183.11676	18.4
185.13205	26.0
185.95613	1.8
187.11183	13.7
187.14760	10.6
189.12732	1.8
195.11621	15.1
197.13205	30.8
199.14749	14.0
201.16426	3.4
205.15872	1.4
209.13208	15.1
211.14799	12.1
213.16376	7.7
215.14287	9.2
215.17938	8.8
222.13979	1.5
223.14838	18.9
224.97340	1.6
225.16310	10.2
227.17899	8.3
229.15959	1.9
233.15367	6.8
236.15675	2.1
237.16327	11.1
239.17902	67.8
241.15929	2.7
241.19392	12.0
251.17905	29.8
253.19431	13.4
255.17409	3.0
255.21002	29.8
259.16833	3.0
261.18503	1.6
264.18542	1.6
267.21030	7.0
269.19150	2.1
269.22635	15.4
279.21011	83.2
297.22076	100.0
315.23117	91.0
315.26822	1.7
331.80966	1.6
333.02777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2317
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.03936	3.1
55.05505	27.3
67.05482	24.1
68.59166	2.0
69.03419	3.5
69.07058	11.0
72.61029	2.2
75.23050	2.6
79.05473	32.6
81.07034	56.1
83.04962	11.8
83.08576	11.5
85.06503	3.1
87.04455	10.1
91.05460	32.8
93.07017	57.8
95.04939	2.8
95.08586	54.9
101.05991	14.7
105.07007	73.2
107.08565	50.9
109.10144	25.5
111.04424	2.6
116.44557	2.8
116.98534	3.3
117.06976	19.1
119.08542	51.0
120.05933	2.7
121.10117	33.6
123.08048	4.0
123.11669	3.3
128.06219	4.3
129.06990	22.1
131.08548	93.0
133.10100	36.7
135.11655	22.1
141.06966	4.0
142.07796	12.9
143.08534	35.9
145.10089	59.8
147.11635	31.8
149.13222	6.6
155.08531	19.1
156.09361	5.4
157.10112	43.4
159.11656	58.7
161.13213	26.6
167.08516	6.2
168.09332	3.5
169.10065	23.5
170.10770	2.8
171.11600	22.4
173.13222	15.2
175.14832	10.7
181.10068	15.1
183.11716	23.4
185.13162	22.5
187.11156	11.8
187.14757	11.9
189.12715	4.8
195.11694	20.3
197.13200	27.1
199.14781	23.0
209.13173	18.3
211.14775	11.9
213.16388	3.7
215.14394	3.3
215.17912	9.9
219.74127	2.5
222.14070	3.8
223.14824	29.7
225.16327	4.6
227.17931	6.5
229.19589	2.9
237.16258	19.5
239.17818	22.1
241.19449	6.0
251.17903	18.9
253.19489	11.5
255.21106	21.0
257.18991	31.9
267.20926	3.6
269.18964	27.2
269.22543	15.6
279.20984	100.0
283.09665	4.2
297.22031	87.9
315.11978	3.8
315.23157	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2317
Annotation	16,17-Didehydropregnenolone
Peak:m/z	Relative Intensity
53.03943	2.4
54.19109	1.5
55.01870	2.1
55.05508	23.4
61.02911	1.7
65.66611	1.3
66.56724	1.5
67.05486	32.1
68.43184	1.4
69.03409	3.9
69.07046	8.7
69.37128	1.6
79.05467	33.1
81.06592	3.0
81.07038	56.1
83.04971	16.5
83.08604	18.8
87.04445	9.8
91.05457	34.3
93.07025	53.2
95.04940	3.5
95.08585	47.2
97.06526	2.5
97.10152	2.2
98.97560	2.5
101.06005	17.9
105.06358	3.6
105.07014	61.8
107.04897	1.7
107.08572	44.1
109.06483	3.4
109.10135	27.2
111.08092	2.6
117.06979	19.4
119.08559	53.2
119.77661	1.8
121.10120	26.2
123.08062	2.2
123.11694	2.0
128.06201	2.4
129.06958	14.3
131.08540	90.7
133.06679	1.6
133.10110	40.1
135.08011	10.4
135.11649	18.0
141.06952	11.6
142.07767	11.3
143.08533	33.4
144.09286	2.2
145.10110	70.7
147.11655	30.2
149.09572	2.2
149.13243	8.3
153.09180	2.2
154.07556	2.0
155.08517	15.7
156.09331	3.0
157.10103	54.0
159.11659	67.5
161.13231	26.5
167.08499	8.2
169.10088	28.8
170.10765	1.9
171.11650	23.9
173.13210	19.9
175.14783	12.1
179.08534	1.9
180.09210	1.9
181.10114	10.7
182.10889	3.0
183.11655	23.5
185.13203	22.8
187.11140	18.3
187.14745	14.8
195.11626	17.1
197.13187	26.2
199.14781	11.7
209.13130	13.1
211.14806	13.2
213.16420	7.1
215.14337	4.3
215.17900	9.2
222.06956	1.8
223.14780	23.0
225.16328	9.5
227.17883	9.9
236.15498	1.8
237.16325	15.0
239.17870	27.2
241.15710	2.3
241.19427	12.8
251.17850	18.5
253.19466	13.3
255.21046	37.3
257.18948	24.7
267.20999	7.5
269.19156	15.5
269.22171	12.2
279.21002	81.0
283.09595	3.7
297.22079	67.2
315.23120	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	315.2316
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.03942	2.5
55.01852	3.5
55.05510	9.8
56.96555	13.2
58.72574	2.2
65.03944	2.8
67.05486	22.3
69.03407	5.9
69.07056	10.3
71.04976	5.4
72.34525	2.2
79.05479	26.9
81.07032	48.8
83.04948	9.1
84.38990	2.6
85.02869	3.6
85.06517	21.0
91.05456	25.1
93.07008	42.4
95.08589	29.9
97.02864	3.9
97.06497	37.7
98.97565	19.6
100.07610	3.0
105.07013	47.4
107.08578	35.1
107.62068	2.3
109.06507	35.0
109.10123	18.7
112.27689	2.7
116.98579	11.4
117.06956	18.6
119.08530	37.2
121.10111	31.0
123.08047	18.3
128.06287	3.2
129.06976	11.0
130.07683	2.8
131.08524	38.2
133.10098	33.1
133.65251	2.4
134.99562	4.2
135.08017	10.7
135.11653	12.6
141.06990	3.3
142.07785	4.9
143.08560	25.8
144.09323	2.6
145.10106	49.1
147.11664	23.1
148.96820	2.9
149.09596	4.9
155.08521	14.1
156.09294	3.8
157.10126	29.9
159.11658	35.8
161.01144	3.3
161.13272	24.5
163.11203	3.5
169.10069	6.2
171.11655	31.5
171.95932	2.5
173.09549	5.6
173.13217	21.1
175.11136	5.0
175.14810	13.6
177.00659	3.3
181.10124	3.9
183.11687	5.8
185.13196	19.3
187.11171	2.7
187.14803	14.6
189.12703	5.6
195.11740	4.7
197.13298	19.5
199.14792	12.6
201.00629	3.1
201.16331	19.1
202.09329	4.8
203.14381	4.1
209.13206	4.9
211.09756	6.2
211.14810	9.8
213.16312	5.6
215.14233	19.3
223.14810	16.3
227.17819	3.1
231.17207	2.7
237.16211	3.5
239.17950	10.4
241.15854	8.9
242.43604	2.8
253.19438	5.9
255.21086	5.5
273.33289	3.2
274.11356	18.8
274.61597	10.6
279.18051	3.8
279.20874	31.7
283.09332	4.0
283.11908	37.3
283.44009	2.9
283.62134	10.7
297.22037	100.0
297.25381	3.4
308.57672	2.6
315.07458	2.9
315.19571	3.1
315.23071	78.5
315.26367	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	315.2318
Annotation	16,17-Didehydropregnenolone
Peak:m/z	Relative Intensity
50.36859	0.7
51.02335	0.6
53.03924	1.4
54.67666	0.6
55.01877	1.1
55.05504	19.4
57.03422	0.9
57.07057	0.9
61.02899	1.4
67.05489	26.6
69.03408	3.7
69.07045	7.8
71.04970	1.0
76.89629	0.8
79.05473	28.1
81.07036	45.4
83.04962	13.5
83.08605	16.4
85.06508	1.0
87.04446	10.2
91.05465	32.5
92.08710	0.8
93.07023	54.1
95.04932	5.8
95.08586	56.1
97.06496	1.9
97.10133	1.0
101.05992	16.5
102.28268	0.8
103.05502	0.7
105.04592	0.8
105.07013	58.3
107.08577	48.8
109.06491	2.0
109.10145	23.7
111.04420	13.4
111.08057	2.9
115.05405	1.1
117.07005	14.7
119.07703	1.6
119.08556	43.4
121.06480	1.0
121.10119	29.0
123.08044	1.1
123.11640	1.7
125.06032	0.8
128.06163	5.6
128.29216	0.8
129.06956	14.9
130.07692	3.0
131.08545	84.2
133.10095	34.4
135.07968	6.6
135.11671	24.5
137.09573	1.7
141.06966	9.5
142.07770	9.5
143.08543	27.9
144.09305	3.6
145.10109	51.0
147.11659	29.4
149.13249	10.7
151.11150	1.2
153.06990	1.5
153.09076	1.6
154.07747	3.2
155.08531	17.8
155.41882	1.0
156.09351	3.9
157.10101	43.0
158.10912	1.0
159.11667	56.6
161.09546	1.0
161.13213	22.3
163.11162	3.1
163.14822	1.7
167.08521	6.9
168.09328	1.9
169.10094	25.7
170.10919	1.3
171.11642	27.2
173.13225	17.9
175.11179	1.9
175.14749	11.5
177.16428	1.0
179.08516	1.2
179.10635	1.5
180.09103	0.8
181.10104	10.8
181.11671	1.0
182.10854	4.3
183.11673	20.8
185.13239	25.0
187.11151	16.9
187.14786	11.6
189.12674	3.4
193.10080	1.5
193.12262	1.1
194.10851	1.5
195.11646	14.2
197.13214	24.5
199.14804	16.6
201.12660	3.5
201.16360	3.6
203.14264	1.6
205.12099	1.9
207.11612	1.1
207.13713	1.2
207.88245	0.9
208.12399	1.9
209.13173	13.5
210.13974	0.9
211.14764	13.9
213.16356	9.9
215.14404	5.7
215.17931	10.1
219.13724	1.1
221.13245	1.5
222.14040	1.6
223.14787	28.5
225.16319	9.6
227.17909	9.4
229.15881	0.9
229.19423	1.2
233.15392	1.6
236.15654	5.5
237.16333	15.4
239.17897	28.6
241.15805	3.7
241.19434	10.9
249.16365	1.7
250.17107	1.1
251.17894	18.9
253.19405	12.0
255.17441	1.1
255.17964	1.3
255.21019	24.3
257.18951	24.2
259.16772	1.5
264.18625	3.4
267.21078	7.9
269.18942	18.8
269.22549	14.5
279.21024	80.4
285.00354	0.9
297.22073	78.2
315.23120	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	315.1926
Annotation	E-64c
Peak:m/z	Relative Intensity
66.21875	0.5
92.08664	1.0
92.19133	0.6
108.04308	0.7
195.64087	0.7
228.93509	0.7
315.19235	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	315.1951
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
53.03938	1.5
54.26933	1.6
55.01856	3.4
55.05497	7.2
56.34459	1.6
56.96550	7.0
67.05508	14.2
69.03422	2.2
69.07053	9.9
72.39674	1.6
79.05464	25.7
81.07032	30.1
81.88146	1.8
83.04974	14.7
83.08592	8.4
85.06516	4.0
87.04424	2.2
91.05462	21.7
93.07027	34.4
95.04935	3.3
95.08582	31.5
97.02843	2.3
97.05882	4.0
97.06507	96.4
98.97565	13.3
101.06036	1.8
105.06998	36.6
105.07652	2.3
107.08564	21.7
109.06491	54.1
109.10155	8.8
111.08028	1.8
115.05428	2.0
116.98590	9.4
117.06989	9.2
119.08566	24.0
121.06486	7.0
121.10127	16.7
123.08037	35.3
129.06964	7.7
131.08542	34.0
133.10077	20.9
135.08017	2.3
135.11647	6.8
136.15793	1.5
137.09645	2.1
141.06969	3.2
142.07793	2.3
143.08539	21.4
145.10092	44.3
147.11659	18.8
149.09569	2.8
149.13217	4.1
150.09927	2.2
155.08580	9.6
156.09331	2.1
157.10045	22.2
158.99660	1.7
159.11667	27.6
161.09622	2.4
161.13185	8.0
167.08528	3.9
169.10051	12.0
171.11679	13.7
173.09584	3.4
173.13225	25.7
175.11224	3.6
175.14734	6.5
177.00706	2.5
181.10133	2.0
183.11639	15.1
185.13240	11.6
187.11136	7.7
187.14807	7.8
189.12691	2.2
195.11646	6.5
197.13249	13.4
199.14818	3.9
201.12718	3.5
209.13200	7.6
211.14780	12.2
213.16319	3.8
215.14330	3.6
216.05226	2.0
219.13719	2.7
223.07462	2.1
223.14772	7.5
225.16473	2.4
227.02213	2.1
227.17868	3.8
228.05302	2.5
237.02742	2.1
237.16264	3.4
239.17836	14.5
241.19516	2.0
251.17928	15.9
253.19321	3.0
255.17583	2.3
255.21062	7.3
269.18900	16.8
269.22211	2.0
279.20978	16.3
283.09528	2.7
287.19946	2.6
297.18408	14.9
297.22067	31.7
315.13245	6.5
315.19470	100.0
315.23074	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	314.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30520	1.7
55.05502	8.3
57.07070	26.9
58.06569	2.8
62.06065	10.2
63.85600	1.7
71.08604	10.5
85.10172	3.6
92.08698	3.8
92.09229	4.5
98.97527	2.9
112.50117	1.9
217.08090	1.9
296.32993	7.6
314.34119	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	315.1045
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
54.81892	0.9
56.96560	1.2
57.03419	1.3
57.72728	1.0
59.04976	4.1
61.29423	0.9
62.26745	0.7
64.10974	0.7
69.03413	1.7
71.04959	1.1
78.67789	0.8
82.06561	4.8
85.02883	5.9
86.97369	0.8
97.02860	1.7
98.97575	6.5
99.70105	1.0
105.03365	4.5
116.98589	4.7
117.03705	1.7
118.74724	0.8
134.99695	1.2
153.05325	1.1
153.06563	3.8
161.01286	1.1
161.02901	1.2
202.73402	0.8
203.02286	1.1
203.05223	8.1
269.07956	1.2
276.30176	0.9
315.07581	3.6
315.10434	100.0
333.08466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.5
55.05496	0.4
56.02760	0.3
56.96546	2.0
57.07067	13.4
58.06588	2.6
62.06069	3.6
67.05476	0.5
69.07043	0.3
69.60209	0.2
70.98100	0.4
71.08616	5.0
72.08145	2.1
81.07011	0.5
84.47269	0.3
85.10152	1.3
86.06065	0.3
88.99143	0.3
92.08731	0.5
92.09272	0.6
95.08586	0.7
96.22166	0.3
98.97568	1.1
134.86089	0.3
156.17450	2.9
158.41029	0.3
170.19009	0.3
174.18472	6.0
184.20529	2.1
193.01633	0.6
200.20084	0.4
202.21638	6.5
208.00371	0.4
208.10306	0.3
214.39186	0.3
225.04337	0.4
254.00903	0.4
269.03244	1.8
270.31381	0.5
287.04330	3.6
296.29468	1.2
296.32947	0.7
314.34106	100.0
315.07404	0.3
315.34335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.26055	0.3
55.01862	0.5
57.03421	2.1
61.02918	3.1
62.21869	0.4
69.03410	5.3
71.04604	0.8
71.04976	18.1
72.59231	0.3
73.02887	0.8
81.03404	2.4
83.93638	0.4
85.02887	21.8
87.04468	0.9
87.57906	0.4
89.06013	100.0
91.03922	0.5
97.02876	5.6
99.04427	3.4
109.02848	1.7
116.60590	0.4
119.95160	0.4
127.03915	2.9
135.06505	23.1
145.04939	2.1
223.03908	0.4
261.39755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
53.34251	0.7
55.01864	10.1
55.05491	0.6
57.03424	20.7
57.45792	0.6
59.04979	1.8
61.02916	7.9
69.03407	11.3
69.24222	0.7
71.01331	39.2
71.04970	21.7
71.05336	1.5
73.02895	13.0
74.84714	0.7
75.04446	1.9
76.56542	0.8
77.21072	0.7
81.03387	6.8
83.05002	0.8
85.02885	43.7
87.04429	3.3
89.06003	15.7
91.03939	0.9
92.63976	0.8
97.02862	15.7
99.04425	69.5
108.08119	1.3
109.02856	5.1
117.05463	100.0
127.03896	8.7
135.06500	4.9
145.04906	8.5
150.07689	1.6
152.07065	1.7
163.06041	0.8
215.23643	0.8
243.08432	1.8
261.09601	2.0
279.10657	1.0
314.12524	0.9
317.74686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1231
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.80552	0.2
51.83511	0.2
53.03934	0.3
55.01869	0.2
56.34810	0.2
56.96548	0.2
57.03411	0.2
61.02900	0.9
65.03918	1.4
67.05482	0.3
69.03417	1.8
69.44839	0.2
79.05466	1.4
80.65082	0.2
81.03384	0.3
82.32909	0.2
85.02884	4.7
91.05456	15.3
95.04901	0.2
97.02856	2.4
98.97562	1.0
99.04327	0.2
105.03357	0.4
105.07027	0.3
106.04121	0.3
106.06533	17.2
107.04931	1.0
109.02869	0.4
109.06497	5.6
115.05341	0.2
116.04949	3.6
116.98603	0.4
119.04926	0.3
119.06030	1.9
124.05198	0.4
127.03908	0.8
134.05986	100.0
134.99683	0.3
136.06171	2.1
147.04422	2.3
152.07036	7.6
161.05873	0.3
169.05093	0.3
171.24103	0.2
211.06133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	2.9
55.05501	16.0
57.03430	31.7
57.06810	4.6
57.07068	80.5
58.51757	2.5
67.05489	14.2
69.07055	12.4
70.36985	2.1
71.08249	2.9
71.08618	46.2
81.07043	21.2
83.08594	14.3
85.10167	18.6
89.06004	3.4
90.58494	2.3
95.08570	27.7
97.10183	4.7
103.07626	3.8
109.10146	11.7
110.94987	2.4
178.35355	2.7
231.78429	2.8
257.24768	4.1
313.27341	100.0
313.30872	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	314.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
54.81203	0.1
56.96550	0.2
57.03410	0.8
58.20034	0.1
61.02901	0.8
65.01495	0.2
65.03918	1.0
67.09864	0.2
69.03410	1.8
69.07061	0.2
71.04948	0.2
79.05473	1.5
80.10857	0.2
81.03393	1.0
85.02884	4.3
86.06848	0.2
87.04427	0.2
89.06004	0.3
91.05460	17.7
92.09061	1.0
95.04932	0.3
95.40624	0.2
97.02338	0.2
97.02855	1.7
98.97569	0.3
105.03389	0.5
105.07012	0.4
106.04155	1.1
106.06540	17.9
107.04935	1.1
109.02838	0.3
109.06505	6.2
111.41791	0.2
116.04951	3.6
116.17809	0.2
119.04920	0.9
119.06036	2.5
120.08140	0.2
124.05186	0.8
124.07581	0.3
127.03867	0.2
134.05991	100.0
135.06363	0.2
136.06107	0.2
145.04922	0.4
147.04388	2.5
152.07045	7.3
161.05917	0.2
169.05099	0.3
183.20682	0.2
188.39230	0.2
210.05840	0.4
211.06165	1.1
296.11212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.9
55.05503	33.9
57.03443	4.1
57.07070	4.1
59.49934	3.3
63.39120	3.7
67.05493	88.2
69.07055	76.4
71.04976	8.4
76.56152	4.4
79.05474	77.9
80.02513	3.2
81.07032	90.1
83.04946	3.9
83.08603	17.1
85.06557	3.7
91.05445	43.5
93.07026	100.0
95.04961	7.6
95.08582	74.5
97.06500	31.1
97.10156	7.0
105.07010	61.6
107.08574	70.8
108.03574	4.1
109.06493	8.5
109.10136	29.4
111.08076	7.5
117.07014	15.7
119.08568	34.9
121.06438	5.8
121.10107	38.1
123.08051	63.9
123.08931	5.5
123.11687	6.6
129.06953	5.8
131.08566	23.3
133.10127	25.3
135.08072	6.5
135.11647	35.2
137.09602	6.9
137.13153	5.1
139.11185	5.7
143.08562	15.0
145.10135	23.2
147.11607	7.7
149.09604	5.8
149.13242	5.4
151.07530	5.5
157.10117	13.8
159.11700	9.5
161.09647	5.0
161.13174	14.9
171.11646	9.2
173.13193	8.0
179.10703	4.2
185.13139	14.7
241.19493	5.2
259.20425	5.8
277.21542	49.4
295.22723	20.7
313.21191	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	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
54.52554	2.6
55.01852	6.4
55.05505	34.6
56.96547	12.1
57.07067	5.5
59.43323	2.7
67.05485	73.6
69.07050	82.9
69.63891	2.5
71.04970	16.6
79.05051	3.9
79.05473	63.2
81.06594	5.4
81.07039	100.0
81.07503	4.8
83.04961	11.6
83.08590	18.2
85.02885	4.1
85.06554	5.2
91.05458	44.0
92.09408	7.2
92.63033	2.8
93.06481	4.8
93.07021	86.3
95.04926	13.1
95.08585	64.4
97.06466	26.4
97.10114	12.4
98.14135	2.6
98.97582	4.0
100.72032	2.7
101.38089	3.2
105.07005	58.2
107.08572	59.4
109.06485	5.5
109.10124	21.1
111.08066	6.3
116.18918	2.9
116.98579	4.1
117.06998	19.5
119.08546	44.4
119.09135	2.6
121.10117	47.6
123.08039	47.9
123.11646	4.3
129.06937	12.5
131.08571	27.9
133.06441	3.9
133.10118	22.9
135.08067	7.5
135.11691	27.7
137.09573	14.2
139.11176	15.1
142.07735	3.2
143.08554	7.6
145.10095	27.3
147.11653	11.8
149.09584	6.0
149.13237	4.3
151.07515	4.4
153.12708	5.9
157.10117	7.1
159.11676	11.8
161.13179	6.8
171.11650	14.6
173.13213	12.1
175.14821	5.8
180.01631	3.4
183.11703	4.9
185.13295	3.6
185.74084	3.0
187.14822	3.8
201.16379	3.9
221.13264	3.7
241.19476	6.2
245.52147	3.2
259.20422	12.0
277.18951	4.4
277.21588	54.9
295.22916	34.0
313.21027	10.7
315.60043	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	313.2369
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
53.03938	2.8
55.01853	19.9
55.05503	74.9
56.96558	2.6
57.03420	7.7
57.03689	2.7
57.07058	5.2
67.05487	84.9
69.03407	6.2
69.07056	38.4
71.04975	6.4
71.08607	28.5
73.25465	3.3
79.05479	54.0
81.03371	4.5
81.07037	100.0
83.04961	15.1
83.08600	39.3
85.06528	6.5
91.05457	50.7
93.07014	72.7
95.04945	15.5
95.08574	47.1
97.06518	21.4
97.10142	5.2
97.15142	3.2
99.08077	12.2
104.67515	2.9
105.07009	29.7
107.08609	40.0
109.06516	7.6
109.10159	23.7
111.04401	2.9
111.08078	24.6
114.66962	3.5
117.07029	10.8
119.08574	28.2
121.10117	20.9
123.08051	3.1
123.11673	7.6
125.09602	4.9
129.06972	6.1
131.08527	15.8
133.10078	27.7
135.11658	17.5
139.11139	5.7
143.08549	5.2
145.10080	7.8
147.11693	6.5
149.13283	21.9
151.11160	6.8
157.10121	3.9
159.11722	7.7
161.13281	4.2
165.12776	7.4
171.11726	4.7
177.12663	3.3
179.14281	5.0
195.11687	3.4
195.13753	14.8
213.14842	6.4
221.89494	4.0
257.82315	3.1
259.20483	4.9
277.21567	49.8
295.22916	26.9
313.21613	7.3
313.25412	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2367
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
55.01861	6.9
55.05503	33.9
57.03443	4.1
57.07070	4.1
59.49934	3.3
63.39120	3.7
67.05493	88.2
69.07055	76.4
71.04976	8.4
76.56152	4.4
79.05474	77.9
80.02513	3.2
81.07032	90.1
83.04946	3.9
83.08603	17.1
85.06557	3.7
91.05445	43.5
93.07026	100.0
95.04961	7.6
95.08582	74.5
97.06500	31.1
97.10156	7.0
105.07010	61.6
107.08574	70.8
108.03574	4.1
109.06493	8.5
109.10136	29.4
111.08076	7.5
117.07014	15.7
119.08568	34.9
121.06438	5.8
121.10107	38.1
123.08051	63.9
123.08931	5.5
123.11687	6.6
129.06953	5.8
131.08566	23.3
133.10127	25.3
135.08072	6.5
135.11647	35.2
137.09602	6.9
137.13153	5.1
139.11185	5.7
143.08562	15.0
145.10135	23.2
147.11607	7.7
149.09604	5.8
149.13242	5.4
151.07530	5.5
157.10117	13.8
159.11700	9.5
161.09647	5.0
161.13174	14.9
171.11646	9.2
173.13193	8.0
179.10703	4.2
185.13139	14.7
241.19493	5.2
259.20425	5.8
277.21542	49.4
295.22723	20.7
313.21191	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	313.2157
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.32478	4.8
55.05502	6.2
67.05484	10.2
79.05476	14.1
81.07031	27.5
82.10806	5.8
85.06494	6.2
89.15567	5.9
91.05457	9.4
93.07034	36.8
95.04974	7.2
95.08585	33.1
95.39444	5.8
97.06488	12.2
105.07027	60.7
107.08582	33.9
109.06544	13.2
109.10138	7.3
116.61791	6.3
117.07015	9.0
119.08564	43.5
121.06458	6.8
121.10098	12.7
123.08052	62.3
128.61760	7.0
129.06943	6.8
131.08553	39.3
132.90517	6.0
133.10098	30.4
135.08064	11.9
137.09558	9.6
141.06960	7.2
143.08565	26.3
145.10098	47.2
147.11667	12.3
155.08475	6.7
157.10124	46.1
159.11681	62.7
160.89183	7.5
161.09608	8.6
161.13252	29.2
169.10069	8.3
170.10876	12.3
171.11656	24.9
173.09624	13.5
185.13243	36.7
191.14478	6.9
195.11729	7.9
197.13255	8.4
203.14281	33.7
211.14742	8.9
225.16408	7.3
253.19431	11.3
255.17424	9.7
263.63940	6.5
295.20459	100.0
303.04950	7.0
313.21503	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	313.2157
Annotation	(E)-Guggulsterone
Peak:m/z	Relative Intensity
51.61706	0.4
55.01859	1.2
55.05507	1.0
56.96537	0.6
64.36588	0.5
66.70731	0.4
67.05486	4.7
67.60352	0.4
69.03409	0.5
69.07046	3.0
69.81931	0.4
77.13306	0.5
79.05475	9.6
81.06582	0.9
81.07032	12.3
83.04970	3.5
83.08607	0.6
91.05461	5.3
91.81293	0.4
93.07024	8.2
95.04932	0.9
95.08588	6.8
97.06509	89.4
105.07000	5.7
107.04910	1.2
107.08579	4.5
109.06500	100.0
109.10132	2.7
111.08073	0.5
117.07023	1.1
119.08546	7.1
121.06474	3.1
121.10137	2.8
123.08047	8.8
128.06186	0.7
129.06984	0.6
131.08519	4.7
133.10117	3.8
135.08043	5.3
135.11691	0.8
137.09601	3.1
143.08539	2.3
145.10120	5.3
147.11670	2.3
149.09599	2.2
149.13249	0.6
157.10104	2.4
159.11708	4.8
161.13219	1.1
163.11166	3.4
169.10095	0.9
171.11632	2.0
173.09605	0.5
173.13226	3.2
175.11186	1.1
175.14798	0.9
177.12709	3.5
185.13274	0.7
187.11224	0.6
189.12756	1.0
191.14243	0.8
197.13173	1.0
205.15857	4.1
211.14771	0.8
217.15820	3.3
237.16272	1.0
251.17828	0.6
253.19476	2.9
271.20496	2.6
285.84241	0.5
292.52191	0.6
295.20398	5.2
313.21558	52.0
317.47800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2159
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.05492	0.9
56.04886	0.6
67.05479	3.6
69.07056	0.9
71.04966	2.5
79.05462	4.4
81.07019	4.6
83.04967	10.3
85.06529	21.1
86.52168	0.6
91.05477	4.7
93.07024	7.1
95.08580	11.7
97.06499	24.3
105.07012	10.0
107.04884	1.0
107.08572	7.4
108.42525	0.6
109.06487	4.5
109.10144	5.1
117.06991	4.2
119.08563	8.9
121.06480	1.4
121.10123	2.6
123.08055	1.4
128.06262	0.8
129.06979	1.6
130.07823	0.7
131.08524	9.8
133.06470	3.0
133.10098	9.2
135.08043	1.2
135.11661	3.6
137.09596	1.5
142.07768	1.1
143.08513	5.2
144.09273	1.5
145.10126	3.8
147.07976	5.8
147.11679	2.7
149.09618	4.8
149.13200	0.9
155.08545	1.1
157.10095	4.3
159.07990	0.8
159.11667	49.9
161.09560	9.8
163.11127	5.9
169.10114	1.4
171.08006	1.4
171.11626	3.2
173.09564	5.6
175.11151	13.6
177.12717	5.3
181.10173	0.7
183.11662	1.3
185.13321	0.8
187.11137	1.0
195.11740	2.2
199.11224	0.9
213.16351	1.0
229.15826	1.0
237.16290	1.4
239.14253	1.5
253.19397	1.1
255.17334	4.5
269.18832	0.8
277.19482	1.0
295.20432	5.4
313.21548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2159
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.13977	2.8
53.93249	3.6
54.82018	3.8
55.05490	15.5
56.96542	16.1
57.07056	4.0
59.66137	3.8
61.81832	3.0
67.05482	29.7
69.07029	16.3
77.40804	3.3
79.05470	27.5
81.07038	71.0
83.08590	6.2
91.05443	48.9
92.09337	4.7
93.07028	66.9
95.04939	3.8
95.08586	48.1
97.06497	3.6
97.10153	4.0
99.08044	4.0
99.56215	3.7
100.10558	3.6
105.07002	56.9
107.08572	36.5
109.10115	15.0
114.36839	3.6
117.07012	7.8
119.08535	47.8
121.06457	13.8
121.10110	31.0
123.08069	5.2
124.52917	3.4
129.06958	5.8
131.08510	19.2
133.10088	33.0
135.08023	25.1
135.11641	9.1
137.09579	14.7
143.08476	9.0
145.10107	17.1
147.11699	31.0
149.69586	4.2
157.10172	5.1
159.11667	33.5
161.13182	4.4
162.56172	3.7
163.11166	4.0
169.10036	8.3
171.11678	18.8
173.13210	14.8
173.91972	3.5
175.14774	100.0
178.29163	4.0
183.11673	8.1
185.13124	8.1
189.11147	4.5
195.11606	5.2
209.13225	4.9
253.15553	4.0
253.19501	8.5
271.20425	4.0
295.20526	56.7
313.21582	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2158
Annotation	Longithorone K
Peak:m/z	Relative Intensity
51.36874	1.2
53.03939	1.6
54.81842	1.3
55.05488	2.2
62.93665	1.2
67.05492	20.7
69.07053	7.3
71.04983	2.3
79.05462	15.5
81.07037	100.0
85.06511	9.2
90.83289	1.4
91.05460	28.3
93.07021	31.2
95.04931	1.7
95.08582	19.6
97.06487	1.6
100.07388	1.3
105.07013	41.4
107.08572	14.0
109.10136	8.9
117.07000	25.4
119.08570	13.5
121.10142	11.8
123.08047	1.6
128.06145	2.1
129.06975	7.7
130.07797	1.5
131.08528	32.7
133.10107	9.6
135.07921	1.7
141.06938	1.5
142.07732	3.3
143.08563	12.1
145.10114	44.9
147.11656	3.0
155.08556	10.7
157.10101	24.5
159.11644	14.5
161.13228	2.6
163.52432	1.5
169.10095	9.4
171.11656	16.9
173.13217	23.1
175.11218	1.5
181.10059	2.2
183.11670	16.0
185.13229	3.0
187.11124	1.9
187.14771	22.1
189.59523	1.4
195.11687	7.1
197.13197	7.1
201.16351	35.3
201.18156	1.7
207.11678	2.1
209.13197	5.6
211.14801	6.1
215.14241	2.5
221.13226	7.0
225.16310	2.7
229.15805	2.1
232.46364	1.6
233.15302	14.0
233.62425	1.6
237.16321	3.3
251.17935	2.1
253.19463	8.6
255.17424	1.8
267.17499	1.5
267.20877	2.1
273.80475	1.5
277.19516	9.0
295.20471	32.6
313.21570	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2158
Annotation	Longithorone K
Peak:m/z	Relative Intensity
54.81693	2.0
55.05505	9.2
59.80034	1.8
64.76711	2.3
67.05488	10.4
67.41323	2.4
69.03434	2.2
69.07037	4.7
71.04962	22.3
76.56487	3.0
79.05481	21.0
81.07037	30.1
85.06089	2.2
85.06524	25.6
86.40180	2.3
91.05447	24.3
93.07027	28.0
95.04901	2.5
95.08579	20.9
105.07019	40.7
107.08575	32.5
109.06524	3.3
109.10142	11.3
111.08064	3.1
115.29523	2.8
117.07024	17.0
119.08549	17.7
121.06457	9.4
121.10132	13.2
123.08052	4.2
128.06186	4.1
129.06989	5.7
131.08527	26.7
133.10110	12.2
135.11708	5.5
141.06996	4.8
142.07768	11.4
143.08521	30.6
145.10095	33.9
147.07979	2.9
147.11690	9.7
155.08553	19.3
157.10114	35.9
159.11638	29.6
161.13220	3.6
167.08502	4.3
169.10051	21.0
171.11620	18.4
173.09607	2.2
173.13179	4.1
175.11157	5.5
177.12709	5.1
179.41017	2.4
181.10121	13.9
182.10855	3.9
183.11720	18.2
185.13245	11.0
187.11252	4.4
193.10114	2.7
195.11678	25.9
196.12462	2.9
197.13205	24.9
198.14246	2.4
199.14757	3.9
201.16370	2.7
205.10161	3.5
207.11642	4.2
209.13239	16.5
210.13991	3.1
211.14804	15.8
215.14169	2.9
221.13150	8.6
223.14810	10.1
225.16304	21.2
233.13124	3.6
235.14783	5.8
237.16353	15.4
243.17471	3.6
249.16187	2.6
251.17957	21.2
252.18686	13.3
253.15944	2.8
253.19405	13.3
255.17290	3.2
277.19525	9.9
280.17993	3.5
295.20532	92.4
313.21585	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	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
54.39650	1.1
54.81720	1.2
55.05503	28.9
57.07054	7.0
58.06561	1.9
59.98706	1.3
60.15416	1.1
62.06078	13.5
67.05462	1.5
69.07049	20.3
71.08613	1.9
82.50383	1.4
83.08591	10.5
87.64668	1.4
92.63723	1.5
97.10136	2.6
104.99191	1.5
210.12016	2.9
294.31580	5.4
312.32547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2157
Annotation	Longithorone K
Peak:m/z	Relative Intensity
54.81546	1.4
55.05493	8.5
65.03941	1.7
65.13045	1.4
67.05486	19.9
69.07040	7.8
69.42159	1.5
71.04971	2.6
78.24986	1.8
79.05473	28.1
81.07036	38.3
83.04962	6.9
85.06507	8.0
91.05457	45.2
92.09242	2.6
93.06479	2.2
93.07013	34.9
94.07365	2.0
95.04958	3.4
95.08576	22.6
97.06499	25.3
105.06998	67.2
106.07363	3.1
107.08564	31.6
109.06492	100.0
109.10129	12.9
111.08051	15.4
117.06983	27.7
119.08562	42.6
121.06458	3.7
121.10123	14.5
121.40731	1.7
123.08015	21.8
124.08392	2.9
128.06187	7.4
129.06979	16.5
129.48668	1.6
130.07796	2.6
131.08545	45.0
133.10089	27.7
134.06786	1.7
135.07983	11.5
135.11604	4.0
137.09576	6.9
141.06905	6.5
142.07759	8.0
143.08540	36.3
144.09297	4.2
145.09007	2.5
145.10106	66.1
147.08000	9.9
147.11670	20.8
149.09601	6.7
154.07742	2.3
155.08484	16.0
156.09283	4.0
157.10095	38.2
158.10706	2.7
159.11662	44.4
160.11946	2.4
161.13278	14.0
163.11153	3.3
165.06836	2.3
167.08450	6.2
169.10101	21.4
171.11700	16.6
173.09636	6.4
173.13278	14.8
174.09966	2.3
175.11205	3.7
177.12831	2.4
179.08461	3.2
180.09192	2.4
181.10057	12.5
182.10745	2.8
183.11690	17.9
185.13188	21.7
187.11128	7.6
187.14684	2.3
188.11429	2.5
189.12733	2.4
193.10101	7.4
194.10747	2.7
194.14395	1.7
195.11659	25.5
196.12259	2.6
197.13345	14.0
198.14006	2.1
199.11183	3.5
199.14809	3.9
201.12773	7.3
206.10947	2.7
207.11668	8.4
208.12337	1.8
209.13257	15.4
211.14822	13.9
220.12285	1.9
221.13179	9.4
222.13858	2.7
223.14787	2.4
225.16330	3.5
227.14069	3.1
233.13219	2.1
235.14706	8.1
237.16293	16.8
239.14322	7.8
243.17311	1.9
247.14825	2.0
248.15486	1.7
251.17836	13.9
252.18494	2.2
253.15764	11.7
253.19400	11.2
254.16150	2.5
255.17288	3.8
270.19315	2.0
271.20078	2.2
277.19452	17.5
294.19131	3.0
295.20471	99.0
300.62796	1.6
312.20132	3.4
313.21469	78.1
320.29932	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.4
55.01858	6.6
55.05499	9.7
57.03430	23.8
57.07071	2.6
59.04988	8.4
67.01839	1.7
67.05500	8.4
69.03416	31.7
69.07056	51.7
70.06572	3.7
71.04607	2.8
71.04979	60.6
73.02901	29.3
73.06542	6.7
75.04463	9.3
79.05473	6.7
81.03400	14.7
81.07034	2.5
84.73998	1.4
85.02885	33.5
85.06531	11.1
85.57631	1.5
87.04455	9.8
89.05994	2.9
92.09054	9.8
93.44218	1.7
95.04955	7.4
97.02876	50.8
97.06509	100.0
98.97563	1.5
99.04436	15.5
101.06009	2.4
103.03923	2.4
104.09459	1.5
109.02881	10.3
109.06499	3.0
111.04461	2.9
113.05989	12.7
115.03896	12.7
115.07552	93.0
117.05489	5.9
121.06544	1.7
127.03902	27.0
129.05472	5.8
133.04947	3.7
133.08566	15.2
136.07561	2.6
145.04939	3.9
155.07045	3.6
155.64838	1.7
161.08096	10.1
197.08179	2.0
217.10715	2.3
229.10660	6.7
241.10643	6.6
259.11725	15.7
277.12784	2.8
295.13733	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20987	0.4
53.03925	2.7
55.01864	4.2
57.03432	8.0
59.04973	0.6
61.02917	12.3
69.03417	23.0
69.07052	13.3
71.04958	3.3
73.02900	5.1
81.03408	9.8
85.02891	100.0
87.04441	4.0
87.08076	4.7
91.03934	6.1
96.04475	0.5
97.02869	25.6
99.04439	4.3
101.02335	0.7
105.09116	1.2
109.02859	8.4
115.03910	0.8
126.07338	0.5
127.03897	16.6
133.08557	2.2
145.04941	26.6
163.06013	9.8
194.04137	0.5
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	2E-Phytenic acid
Peak:m/z	Relative Intensity
53.00297	1.6
53.03928	1.4
55.05505	32.0
57.07068	15.0
58.40010	0.9
59.63881	0.8
65.67664	0.9
67.05490	28.7
69.03429	1.4
69.07054	69.8
71.08614	2.4
71.88634	1.0
74.57293	0.9
79.05476	17.3
81.07037	100.0
83.08600	26.3
85.06551	8.1
85.06998	0.9
91.05480	1.3
92.08838	2.3
93.07028	21.7
95.08586	67.1
97.06508	2.1
97.10143	14.5
99.08082	5.9
105.07017	1.4
107.08576	18.6
109.10136	36.6
111.08071	1.6
111.11687	10.0
121.10133	10.4
123.11683	28.1
125.13235	6.0
133.10101	1.4
135.11676	6.1
137.13240	10.9
149.13269	12.2
151.14809	4.4
163.14816	5.5
165.16382	1.5
167.14259	2.0
182.67430	1.1
218.57465	1.0
275.27307	2.2
281.28366	1.3
293.28369	11.5
311.29291	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	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03944	3.1
55.01868	100.0
55.05505	59.4
56.96550	8.6
57.03409	2.8
57.07065	20.9
59.39723	1.3
66.54291	1.2
67.05496	34.3
69.03409	2.0
69.07054	21.1
71.04976	1.9
71.08643	1.6
71.82513	1.5
79.05479	18.0
81.03391	12.8
81.07034	39.3
83.04950	13.2
83.08606	7.9
91.05447	22.6
93.07029	25.1
95.04937	10.8
95.08586	26.4
97.02905	2.8
97.06515	2.9
97.10141	7.9
99.24202	1.7
105.06999	12.2
107.04955	16.0
107.08582	9.3
109.02861	2.2
109.06509	3.4
109.10145	13.4
111.04418	9.4
117.06996	3.2
119.08553	11.1
121.06434	2.9
121.10139	6.2
123.08041	3.6
125.05960	3.5
125.09601	43.6
131.08537	9.7
133.10162	1.9
135.08035	7.6
135.11647	2.1
137.09605	12.6
145.10115	3.6
149.09589	3.1
149.13188	1.9
151.11153	7.1
152.14272	1.9
153.05446	9.0
159.11668	2.6
163.11176	3.7
173.13235	1.6
176.31551	1.6
177.12733	6.4
181.04977	1.9
191.10648	3.4
191.14275	3.0
209.11685	31.6
223.11366	1.8
237.11150	16.8
255.12231	7.4
257.18912	3.3
275.20013	7.3
293.21042	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03938	2.3
55.01860	9.2
55.05506	37.8
57.03428	3.3
57.07064	1.8
67.05138	3.0
67.05493	84.3
69.03413	2.0
69.07058	35.2
71.04968	6.7
73.38322	1.7
79.05474	59.2
81.07039	100.0
83.04962	9.5
83.08597	16.4
85.06527	2.5
91.05458	68.4
92.09013	9.4
93.07020	62.6
95.04944	16.0
95.08585	57.8
97.06493	9.2
97.10143	8.9
103.05451	1.8
105.06358	3.3
105.07015	65.7
107.04931	8.3
107.08578	40.4
109.06502	14.6
109.10129	24.9
111.08062	2.9
117.06973	18.1
119.08555	58.5
121.06466	5.9
121.10126	21.9
123.08068	12.0
123.11700	9.1
124.18979	1.6
125.09588	2.8
129.06915	3.2
131.08559	28.7
133.10117	49.2
133.11041	3.2
135.08035	9.1
135.11656	7.8
137.09578	3.4
143.08572	6.8
145.10094	21.1
147.11673	18.0
149.09612	11.1
149.13261	6.6
151.11211	3.8
155.08585	2.2
157.10129	3.3
159.11658	11.8
161.13206	3.0
163.11153	10.3
171.11659	3.4
173.11755	5.3
173.13226	6.9
175.11186	2.0
177.12706	2.0
195.13716	3.4
197.13223	2.9
229.19460	3.5
235.16898	7.2
239.17912	8.1
247.20578	3.4
249.18423	2.3
257.18924	11.1
275.17001	3.5
275.19995	95.9
293.21042	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	311.2002
Annotation	Longithorol E
Peak:m/z	Relative Intensity
50.20662	0.9
54.24259	1.0
54.31361	0.9
55.05494	4.1
56.96540	1.6
57.07056	4.8
58.97048	0.9
64.26773	1.0
65.64253	1.0
67.05484	4.4
69.07056	1.9
73.49572	0.9
79.05459	7.0
81.07053	8.7
83.04961	15.6
91.05471	8.9
92.09306	1.4
93.07029	12.2
93.15685	0.9
95.08566	5.2
97.06504	25.2
105.07021	17.8
107.04933	6.6
107.08584	11.8
109.06509	6.7
109.10118	1.7
109.34331	1.1
111.04424	1.2
116.22944	1.0
117.06972	4.6
119.08576	8.6
121.06439	4.8
121.10141	1.3
123.08031	3.9
129.06931	7.4
131.08545	14.3
133.06447	4.7
133.10094	15.2
134.97086	1.0
135.08037	12.0
137.09610	4.1
140.52092	1.1
142.07773	9.2
143.08534	7.1
145.10088	8.5
147.08025	5.1
147.11668	7.1
149.09576	9.2
155.08527	1.7
157.10115	14.1
158.50299	1.1
160.08839	1.1
161.09570	6.0
163.11137	5.0
169.10008	1.3
170.16553	1.1
171.07935	1.6
171.11549	2.4
173.09575	27.7
173.13112	1.3
175.11142	50.8
181.04984	1.2
183.11674	2.5
187.11089	2.1
189.12688	5.1
189.69759	1.2
193.04962	2.1
201.12671	1.7
209.11649	8.3
209.13364	1.5
209.96553	1.1
211.14917	1.9
226.19736	1.1
235.14792	2.1
237.11159	4.1
253.15839	4.1
269.18964	2.3
291.41873	1.2
311.19989	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	311.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.8
55.05511	6.9
55.05727	0.7
57.03415	2.3
62.54801	0.8
64.12103	0.8
67.05484	9.6
69.07058	7.1
71.15315	1.0
73.20857	0.9
79.05459	5.8
81.06593	1.3
81.07033	26.9
82.62405	1.0
83.08593	1.9
85.10159	1.0
88.90326	0.9
91.05468	11.2
93.07018	10.9
95.04959	1.4
95.08583	17.2
99.08069	1.2
101.05972	1.3
101.21130	1.0
105.07013	14.6
107.08568	5.1
109.06500	3.8
109.10139	8.2
115.05424	1.3
117.06989	4.5
119.08558	24.3
121.44051	0.9
123.08001	1.5
123.11676	1.6
128.06195	1.8
129.06975	4.7
130.07719	1.3
131.07629	1.6
131.08540	29.2
133.10110	23.9
135.08041	1.2
135.11642	1.2
137.09564	9.3
141.06958	3.9
142.07751	2.0
143.08525	12.0
145.10106	9.1
147.08014	2.2
147.11641	2.5
151.11157	1.2
153.06934	1.8
155.08507	12.6
157.10101	6.7
159.08018	16.8
159.11655	1.9
161.09569	4.1
165.06953	4.9
166.07698	4.3
167.08543	2.0
168.09259	1.7
169.10085	9.9
171.08029	4.9
171.11600	4.9
173.09554	16.8
174.10159	1.3
175.11169	2.1
178.07724	1.7
179.08484	4.8
180.09315	2.3
181.10100	10.8
182.10831	1.3
183.11641	7.4
185.09534	2.3
185.13333	1.3
187.07564	1.6
187.11151	1.3
192.09343	6.8
193.10094	9.1
194.10838	2.0
195.11668	12.7
197.09563	5.4
197.13237	2.0
198.10300	1.7
199.11122	5.4
203.08492	1.3
204.09326	5.6
205.10092	6.6
206.10732	1.5
207.11642	8.6
208.12401	1.5
209.09521	3.8
209.13217	5.8
210.81734	1.0
211.11249	8.2
211.14784	5.0
213.12701	6.7
215.10637	1.9
216.09222	1.2
217.10152	2.1
218.10788	1.6
219.11652	52.4
220.12292	2.4
221.13145	4.4
222.10320	1.8
223.11206	7.3
223.14828	12.6
224.11879	1.4
225.12726	8.6
231.11642	5.6
233.13147	5.2
235.14764	4.4
237.12743	11.3
237.16345	1.8
239.14261	2.3
245.13170	5.9
246.13963	2.4
247.14537	1.6
249.12750	11.1
249.16331	2.3
250.17038	1.6
251.14212	2.4
251.17882	5.1
253.15831	5.3
260.15549	2.0
263.14206	7.6
264.15002	5.3
265.15759	1.1
265.19406	2.3
267.17404	5.4
269.19003	1.2
275.17871	18.5
278.16562	24.8
293.18936	100.0
311.19968	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2003
Annotation	Longithorone B
Peak:m/z	Relative Intensity
50.06071	0.9
51.94725	0.8
55.01848	0.9
55.05492	5.1
57.03421	4.4
60.61702	0.9
67.05495	10.4
69.03431	0.9
69.07044	6.1
73.82957	1.0
75.42358	0.9
79.05467	6.8
81.06586	1.5
81.07036	24.1
83.08612	1.6
85.02932	1.0
85.05959	0.8
85.06522	2.2
91.05448	11.9
92.08780	4.3
93.07018	10.6
95.04926	1.9
95.08578	17.5
97.06498	3.8
97.10173	1.3
105.07013	16.7
107.04878	1.1
107.08621	6.9
109.06503	4.0
109.10173	7.6
115.05418	1.1
117.07001	4.0
119.08560	22.6
121.06451	1.2
121.10150	1.4
121.85918	0.9
123.11716	1.7
128.06215	1.4
129.06956	4.6
130.07761	1.3
131.08539	25.7
133.06488	1.0
133.10088	21.4
135.07996	1.2
135.11691	1.7
137.09605	9.1
141.06967	2.2
142.07761	4.1
143.08527	11.8
145.10123	11.9
147.08020	3.9
147.11668	2.2
151.11169	1.5
153.06995	3.4
154.07692	1.8
154.09155	0.9
155.08527	14.1
156.09402	1.7
157.10045	7.4
158.07211	1.1
159.08023	16.0
159.11618	1.9
161.09595	1.8
165.06964	4.1
166.07802	1.7
167.08551	3.9
168.09296	1.3
169.10068	12.6
171.08035	3.8
171.11661	5.1
173.09590	20.0
178.07671	1.2
179.08522	5.4
180.09256	2.2
181.10078	13.1
183.11635	5.7
185.09628	3.8
185.13182	1.4
187.11145	2.1
192.09238	3.7
193.10063	10.7
194.10925	2.2
195.11681	12.1
196.08847	1.2
197.09576	4.4
197.13213	5.2
198.10457	1.3
199.11147	5.7
203.08549	1.6
204.09373	5.0
205.10080	4.2
206.10930	2.1
207.11681	9.9
208.08844	1.0
208.12360	1.4
209.09624	3.9
209.13275	7.4
210.10379	1.5
211.11172	5.8
211.14763	4.4
212.11913	1.2
213.12727	4.1
215.10577	1.7
216.09369	1.5
217.10098	2.1
218.10883	1.9
219.09474	1.6
219.11644	48.3
220.12433	1.2
221.13217	6.0
222.10258	1.3
223.11188	6.2
223.14742	12.5
225.12807	7.5
229.12387	1.7
231.11646	5.4
233.13200	4.7
235.14819	5.9
236.11885	1.6
236.15482	1.1
237.12679	11.0
237.16365	3.1
239.14240	3.7
245.13182	5.7
246.14037	3.8
247.14787	2.1
249.12674	11.3
249.16426	3.9
251.14200	1.9
251.17914	5.4
253.15794	5.9
260.15445	4.5
263.14276	5.2
264.15042	2.3
265.19431	4.5
267.17361	5.6
269.18921	1.3
275.17877	17.2
278.16620	28.2
282.34079	0.9
293.18933	100.0
311.19983	66.4
326.48785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2002
Annotation	Longithorone B
Peak:m/z	Relative Intensity
51.33834	1.2
55.05492	10.3
61.94170	1.3
65.03934	1.9
67.05472	9.1
69.03409	1.6
69.07040	3.1
71.04957	3.1
73.06509	1.7
79.05460	9.3
81.03391	2.4
81.07042	17.7
83.04947	5.3
83.08598	1.6
85.02881	2.3
85.06519	8.0
87.93623	1.5
91.05460	10.7
92.09170	4.3
93.07018	16.0
95.04953	2.7
95.08586	13.6
97.06483	8.1
98.97576	2.9
105.07009	19.5
107.04935	2.5
107.08566	14.9
109.06503	8.8
109.10140	3.4
115.05381	2.5
117.06969	2.8
119.08556	12.2
121.06457	6.3
121.10089	3.2
123.08026	8.9
124.87805	1.3
128.06181	2.2
129.06975	9.0
131.08539	21.1
133.06477	5.9
133.10118	8.5
135.08040	2.3
135.11632	1.8
137.04158	1.9
141.06902	2.9
142.07726	5.7
143.08516	21.5
145.06477	1.7
145.10121	13.5
147.08060	6.3
149.02332	14.0
149.09535	2.3
153.06924	2.0
154.07753	3.1
155.08534	14.1
157.06429	1.9
157.10085	18.5
158.07263	1.5
159.07974	1.8
159.11636	6.4
161.09605	3.0
163.05756	1.7
165.06900	5.3
166.07747	1.9
167.08533	9.2
168.09273	2.9
169.10077	23.6
171.08049	6.7
171.11700	3.5
173.09583	22.5
173.13126	1.7
175.11090	2.8
178.07585	1.5
179.08524	9.2
181.10075	16.4
182.10812	2.1
183.11707	14.0
185.13246	3.4
187.11172	3.4
192.09328	3.1
193.10083	9.4
194.10863	3.6
195.11702	12.8
197.09573	2.6
197.13248	6.3
198.10388	2.2
199.11096	12.3
199.14714	1.4
205.10124	3.5
206.10977	5.7
207.11649	13.2
208.12497	3.1
209.13220	21.0
211.11256	10.3
211.14745	3.5
212.11844	2.7
213.12743	6.3
218.10826	2.3
219.11719	6.1
220.12433	8.3
221.13188	7.0
223.11142	6.4
223.14758	7.1
225.12697	9.5
225.16286	2.5
232.12512	7.6
233.13118	2.7
235.14786	25.5
237.12677	9.8
237.16324	5.5
239.14195	6.4
247.14832	2.7
249.16325	8.9
251.14284	6.4
251.17908	6.5
251.74004	1.7
252.15036	2.1
253.15817	65.9
260.15552	1.8
265.15814	23.0
265.18665	1.9
267.17365	9.0
269.18884	2.4
275.17822	6.9
278.16440	2.8
283.17105	1.6
293.18875	31.8
311.19977	100.0
311.23605	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2003
Annotation	Longithorone B
Peak:m/z	Relative Intensity
52.09562	0.9
55.05501	2.8
57.03411	1.7
67.05494	13.6
67.61877	1.0
68.25340	1.1
69.03424	1.1
69.07052	2.9
79.05458	7.8
81.07034	10.1
83.04946	1.1
83.08598	1.4
91.05448	7.3
92.08665	1.6
93.07036	12.0
95.04931	2.3
95.07993	1.6
95.08572	18.5
97.06512	1.2
100.02425	4.3
105.06998	17.4
107.08562	11.8
109.06499	2.8
111.08081	2.2
113.05954	1.2
114.13536	1.2
115.02411	2.8
115.40033	1.2
117.06977	7.0
118.03474	1.3
119.08529	8.8
121.10084	5.2
123.08025	9.1
126.04005	1.5
128.06178	5.2
129.06984	10.6
131.08527	17.1
133.03439	2.6
133.10114	2.9
135.07965	1.6
135.11728	1.8
141.06973	2.1
142.07758	4.6
143.08543	27.7
144.05136	1.5
144.09329	4.7
145.03459	8.7
145.10115	25.1
147.11649	5.0
149.09555	2.0
150.03922	1.3
153.03981	1.4
153.07098	1.5
154.07750	1.6
154.16972	1.2
155.08556	7.4
157.06523	1.4
157.10100	21.5
159.11670	30.0
161.09633	1.9
167.08591	2.7
168.05003	5.9
169.10074	13.5
171.04988	8.6
171.11649	5.2
172.08743	7.1
172.11919	1.4
173.09578	6.4
173.13219	2.5
175.11235	1.7
179.08566	2.4
181.10092	2.8
183.11655	13.3
185.09554	4.9
185.13188	1.8
186.10307	4.7
187.11142	28.9
189.12755	2.6
192.09225	1.3
193.10141	2.0
194.10858	1.2
195.11644	9.5
197.13329	1.5
201.12706	30.2
202.13496	2.1
205.10219	1.7
207.11615	1.8
209.13254	6.3
211.14716	5.9
213.12556	1.5
235.14752	2.8
241.15805	1.3
250.17247	1.3
251.17911	6.4
253.15759	10.9
269.18979	5.9
275.17706	1.4
293.18893	9.3
296.17593	6.2
311.19980	100.0
325.20953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2002
Annotation	Longithorone B
Peak:m/z	Relative Intensity
55.05494	3.7
57.03418	2.8
67.05484	8.8
79.05471	7.2
81.07044	20.2
91.05458	10.4
93.07029	9.3
95.08565	17.6
97.06530	2.1
105.07034	19.0
107.08599	6.9
109.10152	9.3
117.06973	4.6
119.08526	20.5
123.11682	2.0
131.08549	27.6
133.10060	20.4
137.09593	7.1
142.07816	2.4
143.08508	7.3
145.10085	10.6
147.07996	3.6
155.08551	9.9
157.10103	6.9
159.08015	15.1
161.09451	2.5
166.07701	2.1
169.10066	7.9
171.08041	2.9
173.09552	19.0
175.11154	2.5
179.08545	2.8
180.09341	2.9
181.10088	7.5
183.11678	3.7
186.38730	2.0
192.09251	2.3
193.10106	10.8
194.10844	3.3
195.11710	9.3
198.51193	2.0
199.11156	8.8
204.09299	4.3
205.10054	4.6
207.11618	8.3
209.09639	2.9
209.13309	7.7
211.11073	8.3
211.14751	2.7
213.12521	3.1
215.10660	2.7
218.10809	2.5
219.11641	47.6
221.13167	3.1
223.11124	2.7
223.14787	10.0
225.12703	8.7
229.12181	2.8
231.11693	7.5
233.13248	2.8
235.14882	2.2
237.12721	9.3
237.16443	2.4
239.14397	2.7
245.13113	3.3
246.14136	2.9
249.12679	9.9
249.16476	2.8
255.13902	1.8
260.15402	3.1
263.14188	8.5
264.15109	3.2
265.19485	3.5
267.17480	3.1
275.17841	15.0
278.16653	23.5
293.18912	100.0
311.19983	71.2
311.23605	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	310.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01864	2.6
55.64238	0.6
57.03434	5.4
57.03650	0.6
57.07067	8.9
59.04992	0.7
61.02914	6.9
63.73698	0.6
67.05492	18.9
69.03416	13.7
69.07042	1.2
71.04979	52.7
73.02895	3.3
81.03407	4.9
85.02894	55.2
85.06530	8.2
87.04440	1.2
91.03947	1.4
92.08947	1.3
95.04955	25.7
97.02873	12.5
99.04403	2.8
109.02880	5.0
113.05993	100.0
120.08070	1.1
127.03914	8.5
131.07019	80.1
145.04939	9.6
163.05959	3.3
275.10822	0.7
293.12296	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	311.1333
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
52.61264	0.4
57.03422	0.7
57.07055	2.1
59.04989	40.1
61.02904	0.8
65.03583	0.4
65.03919	0.7
67.05490	11.8
69.03422	3.1
69.07039	4.1
71.04974	62.0
81.03414	0.9
85.02882	6.9
85.06059	0.8
85.06530	12.8
92.08850	0.5
95.04939	9.9
97.02861	2.0
101.05997	25.6
109.02843	0.5
113.05987	100.0
114.06329	0.7
119.07085	0.5
131.07016	22.8
131.08006	0.8
149.08073	21.0
169.91339	0.4
177.06540	1.0
187.90544	0.5
259.17865	0.4
298.74326	0.4
311.12357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
53.44197	0.6
55.01868	1.4
57.03434	5.7
57.07064	7.2
59.04977	0.7
60.00013	0.7
61.02909	7.9
62.08094	0.5
63.95734	0.6
67.05494	18.3
67.68788	0.6
69.03075	0.8
69.03419	13.1
69.07050	1.5
71.04976	51.8
73.02874	3.0
79.05432	0.7
81.03394	6.5
81.09470	0.7
82.08528	0.6
85.02891	57.5
85.06530	9.8
87.04437	0.8
88.01790	0.7
91.03923	1.4
92.08945	1.8
95.04945	29.2
97.02866	14.6
99.04429	1.8
109.02840	4.8
113.05989	100.0
116.44399	0.8
125.10956	0.8
127.03893	9.5
130.61800	0.7
131.07021	70.1
145.04938	13.3
149.08116	1.3
163.05986	1.4
172.19701	0.8
194.19250	0.8
198.73561	0.8
223.71365	0.8
274.56158	0.8
293.12250	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	54.8
57.03424	17.5
67.05479	90.1
68.04115	7.4
69.07037	33.2
71.08607	73.7
79.05480	100.0
81.03382	18.0
81.07045	70.3
83.04956	34.9
83.08615	7.8
91.05450	37.4
93.07008	86.3
95.04944	15.3
95.08600	75.0
97.06522	32.9
99.08055	47.6
105.07043	26.9
105.84834	10.3
107.08565	46.1
109.10146	18.9
118.57706	7.8
119.08527	32.8
121.10108	36.1
131.86063	8.9
133.10089	14.6
135.11673	39.9
141.09142	10.1
145.10143	14.6
147.11592	11.1
149.13277	9.2
151.11116	19.1
163.11150	11.1
176.64627	9.3
179.14273	96.7
277.21536	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.02326	1.3
53.03930	3.3
55.01865	22.9
55.05503	72.7
57.03427	69.8
57.07069	1.8
60.14075	1.1
65.03922	2.2
66.21508	1.1
66.95306	1.4
67.05487	44.5
69.03407	2.9
69.07051	10.7
71.04959	2.7
76.84346	1.3
79.05474	74.9
80.83379	1.3
81.03409	1.7
81.07038	80.8
83.04952	6.9
83.08604	23.3
85.06537	10.2
91.05454	56.5
93.06469	2.5
93.07015	37.7
95.04949	27.4
95.08590	22.2
97.06513	6.8
97.10149	32.8
97.67574	1.3
99.08063	5.9
103.05441	1.8
103.36255	1.3
105.03367	1.5
105.04526	1.8
105.07013	32.9
107.04934	46.9
107.08578	28.3
109.06502	30.4
109.10151	10.0
111.08032	2.6
115.05424	3.4
116.06201	1.4
117.06992	40.3
119.04926	1.9
119.08553	56.5
121.06490	18.6
121.10127	8.5
123.08039	14.2
125.09586	21.9
128.06180	3.2
129.06973	17.5
130.07744	1.6
131.08534	29.1
133.06448	8.0
133.10089	6.2
135.08015	15.0
137.09575	2.4
141.06871	1.7
142.07773	1.6
143.08514	10.5
145.10103	27.8
147.08005	30.4
147.11678	2.2
149.09584	7.6
151.11189	1.9
153.09085	2.4
155.08501	2.1
157.10114	7.7
159.08055	3.3
159.11653	7.2
161.09612	10.4
162.10283	1.3
163.11101	2.7
165.09030	1.8
168.58549	1.3
169.10056	2.1
171.11646	6.2
173.13225	7.1
175.11220	2.6
183.11670	2.1
185.13188	2.0
189.11159	12.5
199.11249	1.5
217.15833	1.9
219.13745	11.1
223.13193	4.9
237.14775	6.1
245.18938	1.6
249.14803	6.7
255.17380	2.1
273.18427	50.1
291.19467	100.0
309.16644	11.0
309.20053	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	309.2058
Annotation	Albocycline
Peak:m/z	Relative Intensity
51.41350	0.4
53.03936	2.6
54.81696	0.5
55.01861	4.0
55.05507	12.3
57.03428	3.7
59.15775	0.5
67.05493	22.9
69.03391	0.6
69.07053	8.5
71.04974	1.2
76.56232	0.5
79.05472	20.0
81.03394	0.7
81.06594	0.9
81.07041	16.4
83.04967	5.7
83.08595	0.9
85.06540	0.9
91.05461	8.0
93.07024	10.6
95.04929	6.4
95.08584	100.0
97.06505	3.3
105.07021	8.5
107.04933	3.3
107.08573	12.7
109.06503	2.3
109.10123	1.0
119.08574	3.1
121.10108	2.0
123.08049	6.3
123.11691	0.7
131.08517	1.0
133.10124	2.6
135.11688	0.9
137.09627	0.5
140.13443	0.5
141.09059	6.8
147.11687	0.8
148.29027	0.5
149.09637	0.7
151.11201	0.9
155.04843	0.5
159.10143	25.0
159.11467	1.0
197.15349	1.2
245.19183	0.6
254.23361	0.5
260.40582	0.5
263.19943	6.5
283.81680	0.6
309.20511	2.2
329.36246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	10.7
54.03643	2.0
55.01849	14.6
55.05270	3.6
55.05505	70.6
55.65089	2.2
56.96526	2.8
57.03422	30.5
59.04967	2.9
64.57451	2.6
67.05489	68.0
69.03403	9.6
69.07051	30.6
69.88112	2.7
71.04966	12.9
77.03924	2.5
77.07587	2.3
79.05473	100.0
79.21725	2.4
81.03396	23.1
81.07036	57.0
83.04963	6.3
83.08594	30.4
85.02867	3.8
85.06536	17.8
91.05457	56.4
91.13364	2.3
93.07016	99.7
95.04948	40.8
95.08590	36.4
97.06504	35.5
97.10126	35.3
99.08076	4.3
103.05415	3.0
105.06996	25.2
107.04927	10.8
107.08583	30.6
109.06498	25.1
109.10149	10.8
113.05981	23.8
117.07002	18.4
119.08562	20.2
121.06469	10.6
121.10105	26.9
123.08008	21.1
125.09621	24.6
129.06973	9.9
131.08525	16.4
133.10107	17.5
135.08008	13.5
135.11671	3.9
137.09598	3.4
143.08571	4.4
145.06439	3.6
145.10043	10.3
147.04324	3.1
147.07965	4.1
147.11647	4.5
149.09616	3.6
149.13222	4.4
155.08601	3.1
157.10081	3.9
159.11655	11.9
161.09592	5.2
161.13248	3.2
171.11691	4.3
175.39983	2.5
177.12704	3.8
185.09406	2.5
189.11140	12.2
195.01128	2.6
205.12210	3.3
217.15799	4.1
223.13141	18.9
255.17496	3.5
258.13397	2.6
273.18457	13.6
291.19461	38.3
309.20486	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01851	9.9
55.05491	10.9
56.96550	2.7
57.03173	3.2
57.03428	68.2
57.07043	3.3
60.37051	2.0
65.03925	1.8
67.05492	47.7
69.07055	4.1
71.04967	3.9
77.66975	2.2
79.05476	23.9
81.07021	21.7
83.04971	3.6
83.08591	3.2
85.06527	48.8
88.30679	2.3
91.05459	23.1
91.80560	2.0
93.07031	23.2
95.04951	61.0
95.08575	11.7
97.51832	2.0
105.06995	15.1
107.04914	2.6
107.08577	15.6
109.06504	43.0
109.10159	3.4
113.05986	100.0
113.74903	2.2
117.06992	9.4
119.08527	4.6
121.06547	2.1
121.10099	4.2
129.06976	3.9
131.08536	14.0
133.10078	3.3
135.08034	28.4
135.11665	3.5
143.08530	4.8
145.10086	5.1
147.07983	3.3
149.09651	3.6
157.10089	2.7
161.09598	2.4
173.09525	4.0
217.15749	3.5
263.03180	2.2
273.18396	12.6
291.19437	37.0
309.89679	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	16.3
54.38222	2.7
55.01855	13.6
55.05505	63.2
56.96550	3.1
57.03423	36.1
58.29333	3.4
59.04991	3.7
65.03939	3.6
67.05486	72.1
69.03425	5.3
69.07048	35.7
71.04974	17.2
78.92078	3.2
79.05470	98.7
81.03411	7.4
81.07037	72.1
82.59673	2.8
83.04961	7.3
83.08599	30.8
83.15707	2.7
85.06519	16.0
91.05451	56.1
93.07012	100.0
95.04946	40.1
95.08581	36.5
97.06517	41.7
97.10147	37.6
105.07026	30.4
107.04929	18.4
107.08569	34.2
109.06490	26.7
109.10137	7.3
111.04468	5.3
111.08077	4.6
113.05991	26.3
114.77076	2.9
117.06970	21.4
119.08568	20.2
121.06505	4.4
121.10089	26.5
123.08049	20.7
123.11683	4.5
125.09620	17.9
129.06970	5.4
131.08543	19.0
133.10097	13.2
135.08064	14.3
137.09586	4.4
143.08583	3.9
145.10069	7.1
147.08025	5.2
149.09639	5.3
149.13290	3.3
155.08601	3.7
159.11670	6.5
161.09579	6.6
189.11256	14.3
221.15338	3.3
223.13214	23.4
250.55862	3.8
255.17506	3.8
268.65588	3.4
273.18494	23.1
291.19525	39.4
309.20590	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	309.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.4
53.03929	0.9
53.67990	0.3
55.01868	0.8
55.05507	13.4
56.96547	0.7
57.03430	2.9
57.07064	0.9
59.04983	0.8
59.19202	0.4
61.02911	2.3
64.32925	0.4
67.05482	1.6
68.86337	0.4
69.03418	7.7
69.07056	100.0
69.50842	0.4
70.06604	0.7
71.04984	0.8
73.02905	0.6
79.05476	0.8
81.03388	4.0
83.08614	5.5
85.02892	23.0
86.09665	1.1
91.03909	0.6
91.05473	2.8
97.02872	7.7
98.97584	2.2
99.04444	1.0
101.09673	1.0
105.07008	3.8
107.08589	0.4
109.02879	2.8
109.10100	0.5
110.53737	0.4
111.11703	16.6
116.98585	1.1
117.03351	0.6
119.04930	6.9
127.03912	3.3
128.98587	0.9
129.12741	8.8
131.00119	0.5
133.10165	0.4
134.61325	0.4
145.02855	1.9
145.04967	1.8
147.04402	15.1
147.13771	10.7
158.99606	0.6
164.04561	0.5
165.03691	0.8
165.09166	0.6
176.03343	0.5
177.00710	1.0
177.05534	1.8
237.02893	0.9
289.55331	0.6
309.09558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.4
53.03929	0.9
53.67990	0.3
55.01868	0.8
55.05507	13.4
56.96547	0.7
57.03430	2.9
57.07064	0.9
59.04983	0.8
59.19202	0.4
61.02911	2.3
64.32925	0.4
67.05482	1.6
68.86337	0.4
69.03418	7.7
69.07056	100.0
69.50842	0.4
70.06604	0.7
71.04984	0.8
73.02905	0.6
79.05476	0.8
81.03388	4.0
83.08614	5.5
85.02892	23.0
86.09665	1.1
91.03909	0.6
91.05473	2.8
97.02872	7.7
98.97584	2.2
99.04444	1.0
101.09673	1.0
105.07008	3.8
107.08589	0.4
109.02879	2.8
109.10100	0.5
110.53737	0.4
111.11703	16.6
116.98585	1.1
117.03351	0.6
119.04930	6.9
127.03912	3.3
128.98587	0.9
129.12741	8.8
131.00119	0.5
133.10165	0.4
134.61325	0.4
145.02855	1.9
145.04967	1.8
147.04402	15.1
147.13771	10.7
158.99606	0.6
164.04561	0.5
165.03691	0.8
165.09166	0.6
176.03343	0.5
177.00710	1.0
177.05534	1.8
237.02893	0.9
289.55331	0.6
309.09558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.04863	0.1
55.37348	0.1
57.07060	0.2
58.02946	0.3
62.20716	0.1
66.04689	0.1
67.05486	0.2
67.90696	0.1
69.07035	0.5
71.08604	0.3
79.05462	0.6
81.07043	1.6
88.07594	0.2
91.05448	0.6
93.07050	0.2
94.04167	2.3
94.06599	0.1
95.08575	0.8
97.10194	0.1
107.04922	0.3
109.06518	0.1
122.03621	8.5
135.04381	0.2
137.05954	100.0
137.13208	0.2
138.06277	0.2
167.32423	0.1
172.16922	1.3
184.16977	1.5
308.22339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.149
Annotation	Convoline
Peak:m/z	Relative Intensity
53.03936	1.6
55.05505	5.4
56.05025	0.3
64.25269	0.3
67.05487	2.4
68.05821	0.3
69.03412	0.6
70.06569	1.5
71.04980	0.7
71.29597	0.3
79.05465	1.4
79.66034	0.3
81.07043	5.4
81.77982	0.3
83.08602	3.0
84.08134	0.6
85.02861	0.4
91.05460	0.8
93.05745	0.4
95.04947	16.5
97.05242	2.5
98.06039	2.8
98.09658	2.5
99.89886	0.4
101.94765	0.4
105.04491	0.7
108.08107	5.0
109.06494	7.8
109.10098	0.5
123.04400	12.6
126.09130	100.0
140.04668	5.2
147.04398	0.7
155.06993	5.4
183.06503	5.1
197.11841	0.3
279.08929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82081	0.5
53.03924	0.7
54.03463	0.8
55.01859	0.8
55.05504	20.1
56.05030	1.5
57.03427	5.6
57.07055	1.0
61.02905	4.1
69.03418	13.6
69.82873	0.6
70.03751	0.9
70.06577	32.9
71.01335	6.1
71.04974	3.8
73.02899	2.8
81.03390	1.4
81.07023	1.1
82.06562	29.6
83.04984	1.1
84.08128	17.6
85.02414	1.0
85.02893	18.3
85.06535	1.6
97.02888	7.4
99.04414	0.7
100.07597	73.9
102.94648	0.7
102.95342	0.7
103.03894	0.8
109.02859	1.4
110.06026	41.4
111.04431	0.8
115.07561	2.7
127.03908	1.4
127.07528	1.0
128.01683	0.7
128.07056	42.6
129.05408	0.9
130.08601	3.5
145.04941	1.1
146.08101	100.0
308.13184	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
54.84223	1.7
55.01862	1.9
55.05508	21.0
57.03428	39.5
57.07069	2.0
59.04977	2.7
67.05492	38.3
69.07050	12.2
73.06544	1.7
79.05476	60.4
81.03409	6.6
81.07038	100.0
83.04968	6.2
83.08588	9.6
85.06532	11.0
91.05463	53.5
92.08841	7.0
92.09331	1.8
93.07018	48.2
95.04948	7.9
95.08585	31.2
97.06524	3.1
97.10127	2.5
99.04410	4.1
99.08090	2.6
105.07014	37.3
107.04932	8.5
107.08578	19.0
108.22744	1.8
109.06496	30.8
109.10155	13.6
109.63610	1.7
117.06979	14.2
119.08555	29.6
121.06500	2.7
121.10107	18.0
123.08051	3.1
123.11644	2.1
127.91115	1.6
129.06949	2.4
131.08533	23.2
133.10117	14.8
135.08095	2.1
135.11670	3.7
137.09590	2.5
143.08569	2.9
145.10077	13.0
147.11703	7.5
149.09605	2.8
149.13255	3.2
159.11668	9.1
161.13261	2.9
168.20433	1.8
173.13217	2.5
174.05888	1.8
181.98387	1.8
185.13252	7.2
201.16293	2.8
203.14285	3.9
219.17406	88.5
257.18954	2.7
275.20004	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	307.1899
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01853	19.0
55.05504	87.2
56.96560	6.8
57.03426	74.9
67.05493	64.0
69.03419	4.3
69.07037	18.4
79.05108	4.6
79.05476	70.2
81.03362	4.7
81.07040	43.7
83.04958	10.0
83.08607	30.0
91.05466	37.0
93.07011	32.5
95.04914	8.0
95.08580	8.2
97.10154	30.7
105.07002	26.2
107.04910	25.1
107.08562	23.8
109.06515	8.9
109.10102	4.6
111.83707	3.9
117.06986	24.1
119.08542	22.6
121.06466	6.6
125.09594	23.4
131.04889	4.3
131.08496	10.4
131.86938	4.3
133.06461	7.8
135.08009	27.2
136.37050	3.9
145.06418	9.6
145.10054	8.9
147.08003	17.9
153.09065	5.1
159.08022	72.7
160.08836	6.2
160.11652	4.3
187.14694	6.6
193.39738	4.2
197.09538	5.5
215.14233	5.8
233.15355	26.0
237.79819	4.9
243.17476	6.5
253.15837	8.2
271.16855	34.2
283.07074	5.5
289.17972	100.0
294.30402	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	307.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89939	0.3
55.05485	0.4
55.93806	0.4
56.05023	3.7
56.52171	0.3
57.07041	0.3
57.17020	0.4
57.75068	0.3
58.06587	4.3
61.01122	0.4
67.59510	0.3
69.03412	0.7
69.07050	7.2
72.85458	0.3
73.06528	0.8
80.46142	0.3
81.07045	2.7
84.04487	25.3
84.08124	100.0
85.02871	0.9
85.06520	1.9
85.86681	0.4
86.05581	0.5
86.06049	6.8
86.09692	6.4
88.03966	1.4
96.04491	0.6
97.02868	0.4
97.06504	7.4
109.06496	0.6
113.07125	0.4
115.07543	14.2
127.07489	2.8
130.08563	0.5
141.13841	7.8
145.08588	5.5
150.09105	0.4
169.13306	10.3
198.11192	2.2
215.11778	0.7
215.13864	27.0
243.16971	29.0
259.88144	0.4
262.10944	0.9
278.01855	0.4
307.16782	16.1
317.72736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40244	0.3
55.05492	0.5
62.57155	0.3
67.05499	0.6
69.03424	0.3
69.07040	0.4
70.06536	0.4
72.79845	0.3
77.03874	0.5
79.05483	0.5
80.04965	0.3
81.07030	1.5
83.08617	0.4
91.05460	3.0
93.05788	0.4
93.07005	2.3
94.06543	0.4
95.04927	0.6
95.08589	0.4
96.08114	0.6
107.08566	0.3
108.08074	1.4
109.06487	0.5
110.09683	0.3
119.08510	0.4
122.05987	2.4
123.06777	2.1
124.07558	10.8
126.05478	0.5
126.09140	3.4
132.49779	0.3
136.07549	88.1
138.09113	63.4
140.07039	3.4
152.07033	13.0
164.07027	100.0
165.07227	0.3
166.08621	0.5
170.08075	2.7
182.08076	14.6
188.00079	0.4
200.86612	0.3
268.57101	0.3
289.15381	3.4
307.16370	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05498	0.6
55.20747	0.5
56.43274	0.5
57.03430	0.7
57.07069	86.6
57.11885	0.5
61.02919	0.8
69.03423	2.7
69.07060	3.1
79.05477	6.7
81.03445	0.8
81.07042	46.7
83.08592	0.9
84.08122	0.7
85.02888	10.0
85.06531	44.6
97.02876	1.2
97.06513	1.4
99.08078	3.6
109.06503	36.2
115.07581	4.1
127.07533	100.0
129.93272	0.8
133.30560	0.6
145.08580	31.9
162.11777	0.6
231.60629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46859	0.5
57.07068	77.8
59.47411	0.5
61.02920	1.1
63.39050	0.6
69.03410	2.5
69.07050	6.3
73.60204	0.6
75.19363	0.6
79.05472	7.0
81.07037	43.7
83.08622	1.2
85.02876	10.7
85.06527	45.2
92.08684	0.9
97.02879	1.3
97.06504	5.4
99.08057	1.1
102.90769	0.7
103.67940	0.7
103.81651	0.6
109.06504	30.6
115.07563	11.9
127.07527	100.0
145.08575	34.9
179.04366	0.7
218.61847	0.7
252.30670	0.7
287.97665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	22.0
54.81277	1.5
54.93812	1.2
55.01849	9.2
55.05499	5.5
56.05012	5.6
56.96543	6.4
57.03434	14.3
59.04982	2.6
61.02901	8.5
65.03917	1.7
69.03409	29.0
69.07043	10.1
71.01334	2.2
71.04980	26.8
73.02893	5.3
75.04438	2.1
80.44674	1.4
81.03397	100.0
81.07038	5.8
81.93446	1.3
83.01323	1.6
83.04949	1.7
84.04473	5.5
84.08089	1.5
85.02885	52.9
85.06525	24.0
87.04420	1.8
95.04946	13.4
97.02866	53.0
97.06492	13.8
97.87817	1.4
98.03645	10.9
98.97558	2.4
99.04430	34.1
109.02863	67.8
109.03607	2.5
109.06503	3.2
111.04417	1.9
113.02397	1.5
113.05984	58.1
114.03701	1.9
114.05488	2.3
115.03876	1.7
115.07545	25.0
117.80695	1.3
127.03889	95.4
127.07523	8.3
137.06003	1.6
141.05447	39.1
142.04961	1.7
143.00121	2.6
145.04965	12.9
145.08575	8.4
157.01819	1.7
160.04247	2.4
161.01019	1.6
173.08032	1.8
175.02716	2.4
186.07564	6.4
191.02310	1.9
191.09172	1.5
209.10156	22.1
219.66319	1.6
253.06960	1.6
265.05917	2.7
283.06976	8.2
289.08475	2.5
307.09827	5.6
312.39630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97229	1.1
53.03943	21.2
55.01854	6.5
55.05497	5.4
56.96562	2.0
57.03429	10.2
57.07063	1.2
59.04982	2.2
59.75160	1.0
61.02901	7.0
68.04995	1.4
69.03421	20.0
69.07042	8.1
69.84605	1.0
71.04974	22.7
73.02890	2.1
75.04455	1.9
75.72684	0.9
79.33238	1.1
81.03406	100.0
81.07008	1.2
83.04962	2.5
84.04492	1.5
84.08117	1.8
85.02896	36.6
85.06537	18.7
87.04440	2.0
95.04960	9.6
97.02881	37.9
97.06505	6.5
98.03642	6.6
98.98429	1.6
99.04440	26.1
102.99348	1.2
109.02148	2.1
109.02868	55.1
110.93090	1.1
111.04471	1.2
113.05989	59.6
113.06747	2.5
114.05472	1.2
115.03876	2.4
115.07544	11.7
116.59132	1.3
123.04446	1.8
127.03902	67.8
127.07548	2.8
140.07021	1.4
141.05441	39.6
145.04916	8.8
145.08583	2.4
155.06947	1.6
157.01738	2.8
160.04298	1.8
173.08055	1.2
175.02724	2.5
186.07521	1.9
191.02257	1.3
191.09157	2.3
209.10176	18.9
232.36159	1.3
265.05936	1.6
283.06912	1.5
307.06870	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63875	0.3
67.05483	0.4
69.07056	1.5
79.05460	0.8
81.07029	0.8
85.22304	0.4
91.05464	0.5
92.08681	0.8
94.04147	1.9
95.44856	0.4
107.08556	0.9
116.54122	0.4
122.03631	8.6
135.11647	0.9
137.05954	100.0
143.97401	0.4
182.15398	1.6
182.80557	0.4
244.13669	0.4
306.20444	0.5
326.03989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79811	1.7
56.96551	57.0
61.01134	2.2
69.03428	1.8
70.98093	14.8
71.04955	2.7
71.95240	2.3
74.06061	1.7
74.97572	2.0
81.03381	9.4
84.08126	20.7
84.96018	42.3
85.02882	3.0
85.08450	3.8
86.09664	1.7
88.99123	3.4
92.09013	2.9
97.96783	13.5
98.97559	60.4
99.04406	2.0
102.97033	4.2
106.95230	1.7
110.97538	13.4
112.99117	2.7
113.05985	4.3
115.97794	7.9
116.98605	22.3
119.02008	1.8
123.98324	10.1
124.99094	8.6
127.00655	3.2
127.03897	3.9
128.98595	17.8
131.00180	15.5
132.08383	9.1
134.99626	7.9
139.00662	13.6
140.98534	9.4
141.99359	44.2
143.00148	30.2
144.98022	2.0
145.01711	4.0
146.99658	8.3
149.01198	10.0
155.00143	11.9
155.97234	4.6
157.01703	78.6
158.99619	8.2
160.00403	29.2
161.01167	22.4
162.99069	2.4
173.01183	39.3
173.98273	4.7
175.02742	73.0
176.09157	2.1
177.00761	2.8
182.99657	2.8
188.52167	2.4
191.02229	69.7
193.03796	4.4
201.00609	2.8
209.03239	16.6
215.02348	2.1
247.04871	3.2
265.05878	91.0
283.06943	100.0
307.06949	81.8
325.08026	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.9668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08693	1.2
55.01848	3.0
55.93519	61.3
56.96561	6.8
57.03413	2.0
59.65461	1.3
60.04515	15.9
63.33730	1.7
69.03400	7.2
69.07040	3.3
69.95071	2.6
70.06581	1.8
70.95846	3.3
71.28414	1.6
71.92992	46.5
72.08132	2.1
72.93772	100.0
73.94550	13.3
74.06060	2.4
76.82727	1.6
79.05470	7.8
80.04967	1.8
80.44274	1.6
83.04973	2.1
83.43704	2.1
84.04468	1.7
84.08118	2.0
85.02908	16.7
86.09686	33.2
87.05556	2.1
87.96085	3.1
88.85795	1.9
89.94022	44.8
90.94803	86.5
91.05445	1.6
95.04985	1.5
97.02866	3.1
97.06498	6.2
97.86523	1.5
100.04018	1.7
102.94820	1.6
105.93491	18.7
105.97095	6.5
107.04939	8.1
107.95057	28.4
108.95852	26.5
109.02839	1.7
111.96050	3.6
114.37566	2.2
116.07043	2.9
116.71182	1.5
116.96317	2.1
123.94532	15.6
124.03909	3.1
124.95322	6.2
125.05977	6.7
125.96105	38.0
126.05511	11.9
126.59312	1.7
127.03862	2.8
127.05002	8.5
128.10727	1.8
129.97105	7.9
131.95013	10.8
132.95815	36.5
134.97354	2.5
135.02043	1.8
135.94450	2.0
136.95294	2.3
137.05949	8.5
143.07019	14.1
145.96565	15.1
146.93852	1.8
149.96088	85.7
150.96869	80.6
151.97635	13.0
153.97058	8.3
159.08000	1.7
161.96083	23.7
163.97638	22.3
164.94479	1.5
165.95575	4.0
165.99188	17.1
167.97128	71.0
168.97845	1.6
171.98140	28.3
173.12843	26.8
173.96097	10.9
174.97037	1.5
179.97179	11.7
183.96652	2.6
189.95569	4.1
189.99203	19.5
191.97112	55.4
192.97990	2.1
201.12315	7.2
205.95103	14.7
207.96716	2.7
208.00269	7.3
209.98192	24.0
215.97137	14.3
219.96577	22.1
223.96127	6.1
233.98190	33.4
237.94000	2.3
243.96413	3.3
259.96103	10.1
287.95593	3.1
288.10773	1.9
305.11969	10.9
306.12311	3.1
329.21704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.00311	2.0
53.03926	3.2
54.82051	1.5
55.01855	1.8
55.05501	28.9
56.24670	1.6
56.96566	1.7
57.03427	1.9
57.07068	4.2
59.04985	9.9
61.02949	1.5
67.05489	36.6
69.03408	9.5
69.07056	35.4
70.06578	2.4
71.04970	30.3
79.05469	39.9
81.07035	94.4
83.04962	4.2
83.08150	1.7
83.08598	14.1
85.06529	9.3
89.70737	1.8
91.05447	26.3
91.78146	1.7
93.07017	73.8
95.04949	8.7
95.08583	61.6
97.06504	10.7
97.10163	8.5
99.08071	8.4
105.06403	1.8
105.07007	75.9
107.08575	100.0
108.50663	2.1
109.06504	7.1
109.10135	50.1
110.71519	1.7
111.08050	3.5
115.07510	2.6
117.06994	3.5
119.08548	53.9
121.10126	57.3
123.08063	2.6
123.11659	13.7
125.09584	15.7
127.11159	2.7
128.06247	2.3
131.08536	24.0
132.09285	2.1
133.10083	32.2
133.58786	1.9
135.11662	19.9
137.09619	4.2
139.11229	2.7
143.08536	7.9
143.10623	17.7
145.10104	36.1
147.11661	39.9
149.13231	39.9
151.11197	3.0
157.10101	11.7
159.11655	27.3
161.13190	14.3
163.14780	3.7
165.12776	3.4
171.11635	9.7
172.12386	1.8
173.13271	12.1
175.14825	8.6
177.16347	8.6
185.13170	2.6
187.14764	3.5
189.16449	6.2
199.14809	4.3
201.16385	31.4
203.17914	10.2
205.15872	3.1
213.16293	4.5
215.17862	4.8
236.63023	2.0
269.22839	7.4
287.23651	17.1
288.61224	2.6
305.10089	8.0
305.24683	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	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
67.05485	0.5
69.07054	0.3
72.60321	0.2
73.77267	0.2
79.05472	0.4
81.07057	1.6
91.05460	3.8
92.08867	0.5
93.05775	0.3
93.07033	3.3
94.06531	0.5
95.04953	1.6
95.08610	0.3
96.08109	1.2
100.34189	0.2
107.04921	0.2
107.08598	0.3
108.08113	1.9
113.99245	0.2
114.36956	0.2
122.05997	3.0
124.07566	9.7
126.05448	1.5
136.07558	100.0
138.09091	0.3
140.07019	1.4
150.05424	0.3
152.07048	12.2
164.07039	52.3
170.08128	1.7
180.20076	0.3
182.08116	5.9
234.43758	0.2
287.13834	4.4
305.14807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05521	0.2
67.05486	1.1
77.03891	0.2
79.05476	0.4
81.07037	1.4
84.58086	0.2
85.51548	0.2
86.13081	0.2
91.05450	3.0
93.05769	0.3
93.07021	2.7
94.06538	0.8
95.04934	1.6
95.08566	0.2
96.08102	1.1
97.06494	0.2
97.18118	0.2
105.04505	0.3
107.08605	0.2
108.04453	0.2
108.08096	2.2
119.43971	0.2
121.63705	0.2
122.05983	2.5
124.07574	8.3
126.04674	0.2
126.05489	1.4
130.33910	0.2
133.10100	0.3
136.07552	100.0
137.07907	0.3
138.09111	0.4
140.07025	1.2
142.10321	0.2
150.05414	0.2
152.06071	0.3
152.07036	10.6
164.07030	52.3
166.08560	0.3
170.08060	1.5
182.08105	6.6
195.26558	0.2
287.13828	3.1
305.14841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14251	0.6
53.03934	4.7
55.01857	3.3
57.03428	5.5
58.70226	0.6
61.02914	7.9
61.76503	0.8
65.03915	0.8
67.05479	1.0
69.03416	19.2
69.07055	5.3
71.01350	1.0
71.04974	0.9
73.02895	1.0
79.05472	37.3
81.03402	5.2
81.07032	14.8
81.99365	0.6
83.01339	0.8
83.04980	1.2
85.02886	58.9
87.04469	0.8
91.03930	1.0
91.05452	0.7
92.08990	4.0
95.04932	4.7
95.81013	0.7
97.02869	13.4
97.06508	29.5
99.04421	1.5
107.04942	5.6
109.02876	5.2
109.06490	1.1
125.05959	38.0
126.06766	1.1
127.03876	7.7
143.07008	100.0
145.04945	2.9
232.56580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58661	0.6
51.18721	0.5
53.58380	0.6
54.79314	0.6
54.81789	0.6
55.05497	1.4
56.04763	0.9
56.05029	22.9
56.96548	3.4
57.07067	16.1
58.06588	10.7
58.39658	0.7
60.04501	3.6
61.80043	0.6
67.05477	1.0
69.07053	4.7
71.08618	8.9
71.54091	0.6
74.06063	21.4
79.05482	1.3
81.07037	1.5
83.40884	0.7
85.10170	3.6
86.06053	2.6
88.07611	76.8
92.09271	1.4
92.64522	0.8
93.06987	0.7
95.08598	1.0
97.06507	0.7
104.99265	5.9
110.03636	3.1
111.04447	1.1
118.08631	10.9
122.08112	10.4
124.07581	1.0
125.05972	3.2
137.04726	0.8
152.07047	26.1
200.37297	0.6
256.26300	61.6
262.97879	1.2
286.27396	2.7
304.28412	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	304.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48528	0.6
53.00306	0.6
55.01864	1.1
55.05497	8.6
56.96553	1.0
57.06805	1.2
57.07066	15.8
58.06581	1.9
58.18900	0.6
64.07466	0.7
67.05485	13.7
69.03410	0.9
69.07053	8.4
70.06200	1.0
70.06575	29.3
70.61581	0.7
71.08601	4.3
73.63992	0.7
79.05469	5.3
81.07040	22.6
83.08585	6.4
85.10165	1.0
87.04460	4.4
88.07610	38.3
91.05459	1.7
93.07017	4.3
95.08566	11.4
96.10157	0.8
97.10146	3.6
99.08069	9.5
102.09156	23.9
104.99273	1.2
105.07018	1.5
107.08597	0.8
109.10148	6.8
110.21334	0.7
115.07544	4.3
117.08474	0.8
119.08502	1.2
121.10093	1.4
125.09576	1.6
127.07561	0.8
131.01044	0.7
132.10204	1.3
133.10107	1.0
135.11678	1.0
150.11261	1.3
173.11627	1.9
193.81377	0.9
198.22105	1.4
241.11870	0.8
242.24739	67.0
251.19992	3.8
269.17392	1.4
286.27356	4.6
304.28397	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
56.05007	0.2
56.96548	0.4
63.51710	0.1
69.03401	0.4
69.07044	1.1
70.06577	0.2
72.08138	0.2
73.15838	0.2
73.42480	0.2
74.06056	1.0
78.27436	0.2
79.05463	1.0
79.97503	0.2
81.07048	0.2
84.04498	0.8
85.02892	1.9
86.09687	0.4
87.94469	0.2
88.95280	0.4
92.19289	0.2
95.04955	0.9
97.02870	0.3
100.76328	0.2
107.04940	100.0
110.07127	0.3
111.11684	0.3
113.06058	0.2
119.99895	0.2
124.03909	0.7
124.07547	1.0
126.25249	0.2
131.00089	0.2
134.85295	0.2
142.08611	0.5
144.06561	0.8
148.97327	0.3
165.97629	0.3
168.96382	0.2
175.02785	0.2
209.42374	0.2
304.10919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01851	8.9
55.05503	100.0
55.64576	1.5
56.96536	2.2
57.03395	1.9
57.07052	1.3
57.42551	1.4
58.43104	1.3
59.04962	1.4
62.31510	1.4
67.05504	12.0
69.03405	2.3
69.07051	56.5
77.40658	1.5
77.83577	1.5
79.05472	19.7
81.07043	23.5
83.04964	2.7
83.08116	2.5
83.08601	67.1
91.05453	3.8
93.07023	11.3
94.59812	1.4
95.08560	12.0
97.06523	2.9
97.10143	53.6
104.99225	3.3
105.07030	2.2
107.08568	15.9
109.10144	3.4
111.08069	13.6
111.11710	1.4
119.08533	2.7
121.10121	3.8
125.09599	50.9
129.09050	11.6
133.10081	3.5
136.47896	1.5
137.06036	2.3
139.11162	7.4
143.10681	13.3
147.22395	1.5
157.12164	1.6
175.09631	8.2
189.11203	11.2
249.18494	2.9
267.19495	25.9
285.20493	8.7
303.15710	2.2
306.32819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
56.03421	0.6
63.70470	0.5
65.03917	6.0
69.07039	1.4
70.65736	0.5
79.05473	1.0
81.07021	0.9
89.39949	0.5
91.05460	0.6
92.04974	8.3
92.08646	1.4
92.09247	1.8
93.07011	0.9
105.07007	1.4
106.06515	0.7
107.08518	0.8
119.08518	0.9
120.08100	1.1
122.03597	1.2
122.09628	0.7
124.11224	0.7
137.05943	17.1
138.05470	44.1
138.09103	20.1
150.09096	2.5
152.32268	0.7
156.08075	0.6
157.10057	0.8
158.09663	0.9
163.04994	2.8
166.04956	85.9
169.10124	0.8
170.09572	0.7
178.04820	0.7
183.09154	0.7
184.11115	2.4
194.09770	0.9
196.09779	1.3
198.09155	1.3
199.08516	0.6
200.09340	1.4
201.10240	1.1
201.13863	1.0
202.12199	0.7
211.12201	4.8
212.10686	11.1
213.13716	0.9
214.12404	7.3
215.11662	0.6
228.08925	1.0
229.09621	1.3
229.13261	5.4
230.11627	5.7
232.13165	5.8
239.08040	1.1
239.11746	3.5
240.10136	2.4
241.13280	1.4
242.11943	4.8
243.11205	1.2
256.08411	4.3
257.09164	2.9
257.12793	21.0
258.11270	0.8
259.11887	1.2
259.14313	1.0
260.12689	6.4
267.11102	0.9
268.09546	0.9
272.11472	21.1
274.09375	14.6
275.10635	1.1
275.13815	9.7
277.37225	0.6
285.12286	26.1
286.10672	1.1
291.49396	0.6
303.13315	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	303.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67335	0.1
54.16280	0.1
55.01865	0.3
55.05487	1.0
57.03434	0.4
65.03927	0.3
66.04710	0.4
67.05482	1.1
69.03407	0.4
69.07050	0.3
71.04963	0.2
72.08135	0.2
79.05467	2.1
81.03388	1.6
81.07030	2.3
83.04967	0.4
83.08616	0.4
85.02872	0.9
85.38898	0.2
86.09666	0.2
86.35494	0.2
87.04482	0.2
91.05464	2.5
92.09378	0.2
93.07023	1.1
94.04160	3.8
95.04937	1.1
95.08566	0.9
98.97558	0.3
104.06176	0.2
105.03384	0.2
105.07001	1.4
107.04929	0.8
107.08561	1.1
109.06494	0.4
109.10141	0.3
111.04435	0.3
111.08074	0.2
116.98560	0.2
117.06971	0.3
119.04945	0.2
119.08535	0.9
121.06456	0.4
121.10117	0.7
122.03618	12.2
129.06949	0.3
131.08549	0.4
133.10098	0.8
137.05954	100.0
142.07715	0.2
143.08411	0.2
145.02866	0.4
145.10153	0.4
147.04396	0.4
147.11682	0.4
149.05981	0.3
151.07494	0.2
152.06155	0.7
153.05838	0.3
153.06958	2.4
155.08545	0.3
157.10043	0.3
159.11653	0.2
165.06990	1.0
171.11803	0.2
175.11101	0.2
177.05418	0.4
181.06386	2.2
183.07964	0.6
193.12260	0.4
195.08167	0.2
196.05164	0.2
197.05968	0.2
210.06639	0.2
211.07544	0.4
213.09091	0.4
239.72549	0.2
241.08574	0.4
243.10078	0.3
253.08556	0.4
271.09546	0.2
273.11224	0.3
285.11301	0.3
285.16946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
54.05521	0.3
55.01852	0.9
55.05504	0.7
56.96544	0.5
59.04984	0.4
65.03912	0.6
67.05483	1.8
68.99771	4.3
69.03393	2.1
71.04975	0.5
79.05452	0.6
81.03372	1.5
81.07030	2.2
82.93841	0.3
85.02884	0.5
91.05466	1.6
93.03359	0.8
93.06997	0.6
94.04121	0.6
94.06525	0.4
95.04937	2.4
95.08613	0.6
97.02262	0.4
98.97543	0.7
103.05482	0.4
105.06995	1.5
107.04948	0.5
107.08564	1.5
109.02860	2.1
111.00779	3.0
116.98578	0.5
117.06992	0.7
119.08538	0.9
121.02869	2.9
121.10134	0.5
122.03626	1.6
122.06029	0.6
123.04402	0.7
123.11680	1.7
127.03888	0.6
130.65010	0.4
131.04919	0.5
133.10121	0.7
135.04398	1.5
137.02338	12.8
137.03383	0.9
137.04985	0.8
137.05965	13.6
145.02872	0.7
145.06458	0.8
145.10056	0.8
147.11687	0.6
149.02333	0.7
153.01811	15.3
155.04919	1.5
157.10124	0.6
161.05946	1.4
163.03873	1.8
165.01823	5.5
165.06985	0.5
173.05968	1.7
177.05418	0.7
183.02861	2.2
183.04462	2.2
187.03932	0.6
195.02756	0.6
201.05435	6.9
211.03828	0.6
215.03447	0.7
219.06546	0.7
228.04083	0.7
229.04932	15.5
247.05945	2.2
257.04428	6.4
274.04654	2.1
285.03992	3.4
303.04941	100.0
304.05258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.7
75.43529	0.3
92.08825	0.6
93.51682	0.3
94.17709	0.3
98.97565	9.0
100.97142	0.5
101.00867	1.8
116.98598	5.9
119.01910	10.3
120.02015	1.4
125.29675	0.3
134.96614	0.3
134.99673	3.7
135.99948	0.4
137.02950	3.6
138.03065	0.3
153.00844	0.4
158.99796	0.6
177.00922	19.9
178.00989	7.6
201.00729	1.0
202.01035	0.3
217.04132	3.5
218.04095	1.5
219.01967	34.1
220.02092	15.6
221.01846	0.5
225.00914	1.3
226.00961	0.6
243.01889	5.7
243.99704	0.3
244.01987	2.8
261.03000	100.0
262.03143	53.6
263.03012	1.8
275.04538	0.5
279.00604	4.1
280.00961	1.3
284.04550	1.5
284.99835	0.6
285.04755	1.2
302.05698	1.2
303.00830	1.8
303.06064	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	303.0488
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.72402	0.4
54.04053	0.4
56.22972	0.5
62.79926	0.4
66.15793	0.5
67.05470	0.6
68.99773	3.3
81.03402	2.0
86.09687	1.0
86.82796	0.6
91.05448	0.7
92.09138	2.4
94.04184	1.3
95.04936	1.4
98.97563	0.7
105.07001	0.7
107.04961	0.8
109.02837	1.4
111.00799	4.2
121.02879	2.9
122.03598	5.0
123.04374	1.3
136.07484	0.7
137.02332	12.7
137.05954	42.6
145.06465	1.0
149.02347	0.8
153.01802	15.7
155.04887	1.4
163.03900	2.3
163.51187	0.7
165.01761	5.1
173.05904	2.2
173.81567	0.6
177.01855	0.7
183.02835	2.6
183.04303	1.1
187.03885	1.0
201.05434	6.2
229.04948	14.0
247.05817	0.7
257.04407	8.7
274.04630	2.2
283.34238	0.6
285.03769	3.9
303.04938	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	302.305
Annotation	Sphinganine
Peak:m/z	Relative Intensity
54.17492	0.3
54.81120	0.4
56.85398	0.3
57.06817	0.6
57.07067	10.8
58.06574	0.4
61.61522	0.4
68.68304	0.4
70.06194	0.8
70.06573	19.4
71.08624	4.6
88.07609	21.8
102.09146	5.8
106.07993	0.6
106.08651	9.6
107.89942	0.4
154.08395	0.4
191.63625	0.5
258.27875	1.6
284.29398	7.5
296.20856	0.4
302.30466	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.23467	0.7
54.81800	0.8
55.01870	1.2
55.05503	2.0
56.48505	0.7
57.03436	7.0
61.02923	8.1
62.16034	0.9
64.87540	0.7
67.05492	11.2
68.60831	0.7
68.91611	0.9
68.97680	0.7
69.03420	17.7
69.07050	2.1
70.02950	0.9
70.44621	0.7
71.04986	0.8
72.08143	21.9
73.02891	4.4
79.05473	8.6
81.03402	11.5
81.07036	13.7
83.08630	1.0
84.08134	0.9
85.02894	76.0
86.02450	1.1
86.09695	31.0
90.59312	0.7
91.03939	0.9
91.05466	7.9
93.05781	1.3
93.07036	1.0
94.06541	2.1
95.04945	6.9
96.04498	1.4
97.02255	1.8
97.02872	49.9
97.06503	4.3
98.97588	1.4
98.99225	0.8
99.04419	1.8
103.03950	7.7
103.04496	0.9
106.98701	0.7
107.04819	0.8
107.07310	1.1
108.08096	24.7
109.02875	12.5
109.06522	1.6
112.07597	1.4
122.06017	14.3
122.09620	1.0
125.05962	10.7
126.05511	10.0
126.09107	6.9
127.03905	12.6
136.06483	1.0
136.07565	34.8
140.07056	38.3
143.11812	6.8
145.04910	6.7
150.09106	10.7
152.07050	29.9
154.08607	12.7
157.13316	9.3
163.05795	0.8
164.07036	40.7
171.11261	2.0
178.08609	25.6
179.38544	0.8
182.08101	100.0
185.12804	4.5
206.08101	34.2
218.08110	4.8
236.09235	1.2
248.09117	9.8
268.81061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0869
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
50.68462	0.2
53.03937	0.4
55.01847	0.2
55.79932	0.2
57.03413	0.4
59.04973	0.2
60.36618	0.2
61.02916	2.0
69.03415	4.3
71.04977	0.3
73.02884	0.7
76.56171	0.2
78.03429	1.0
81.03399	1.7
85.02891	7.9
87.04431	0.3
94.02908	0.2
97.02863	2.9
109.02862	1.0
122.02373	1.9
127.03893	0.9
140.03407	100.0
141.64291	0.2
145.04970	0.4
209.90292	0.2
275.79892	0.2
302.08762	2.6
302.11780	0.3
324.11658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38423	0.2
52.74244	0.2
54.21463	0.2
56.96544	1.2
68.62614	0.2
80.95033	0.2
98.96922	0.4
98.97561	11.4
99.97858	0.4
101.00825	1.7
116.97815	0.4
116.98602	8.1
117.98945	0.4
118.03493	0.2
118.99053	0.2
119.01899	7.8
134.99626	4.1
137.02953	2.5
153.00746	0.4
158.99757	0.3
177.00914	16.7
182.99869	0.3
195.01997	0.3
201.00931	0.6
212.95541	0.3
217.04030	3.5
218.03604	1.2
219.01965	30.9
221.02238	0.3
224.98894	0.3
225.00945	1.5
231.59967	0.3
239.68300	0.3
242.03723	0.3
243.01941	4.9
260.00061	0.3
260.04596	4.4
261.03003	100.0
262.03131	1.2
272.17804	0.3
278.01031	1.7
279.00558	6.9
283.99973	0.2
284.04517	2.0
297.41684	0.3
302.01569	0.7
302.05649	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	301.2523
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
55.05502	15.2
56.96554	1.4
57.07056	2.6
61.45214	1.0
67.05497	18.0
69.07047	9.3
71.04969	1.3
79.05471	15.5
79.50098	1.1
81.07037	52.1
82.24897	1.1
83.08609	7.7
90.33924	1.1
91.05465	22.2
92.09383	1.3
93.07024	41.2
95.04940	1.5
95.08584	44.9
95.09190	1.5
97.06527	1.7
97.10135	1.8
105.07013	45.5
107.08576	38.7
109.10143	27.9
114.09183	1.9
117.06987	8.4
119.08559	36.8
121.10122	40.2
123.08065	3.0
123.11680	17.0
129.06982	3.0
131.08533	17.5
131.87799	1.2
132.10172	2.9
133.10101	40.3
135.11647	18.3
137.13173	1.3
143.08517	8.0
144.09254	1.8
145.10107	37.5
147.11665	62.9
149.13261	11.9
151.11201	10.7
157.10095	9.2
159.11647	25.6
161.13210	10.4
163.11143	12.8
163.14778	5.6
165.12714	56.2
165.16283	1.4
171.11656	9.3
173.13216	15.9
175.14815	17.5
185.13231	8.9
187.14771	22.5
189.16318	15.1
199.14742	12.3
201.16298	12.5
213.16341	18.1
215.17918	2.7
227.17960	12.7
231.21028	2.1
241.19472	4.7
243.21146	1.6
257.22708	2.3
283.24133	100.0
300.28903	2.8
301.25266	51.6
301.29135	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	301.2523
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
53.03924	2.3
55.05503	17.6
57.03408	2.1
57.59243	2.0
67.05495	25.1
69.07054	11.5
73.71014	2.0
79.05487	18.8
81.07040	52.6
83.04932	2.2
83.08606	9.4
91.05447	25.1
92.08714	2.4
93.07021	52.1
95.08588	51.8
96.41416	2.0
97.10139	3.3
98.97563	4.9
105.07018	57.8
107.08587	50.4
109.10148	37.5
109.29153	2.2
116.98615	4.8
117.06988	12.0
119.08569	46.7
119.67541	2.1
121.10123	49.8
123.08054	3.1
123.11707	23.1
129.07004	4.3
131.08534	20.9
133.10091	59.5
133.11023	3.4
134.99677	2.5
135.11697	15.5
143.08559	10.7
145.10106	51.0
147.11656	76.0
149.13242	10.5
151.11148	30.4
157.10080	10.1
159.11665	25.5
161.13313	15.6
163.11125	28.9
163.14835	3.8
165.12715	92.9
171.11630	4.2
173.13246	22.7
175.14830	14.8
184.52353	2.4
185.13225	9.8
187.14774	27.6
189.16351	9.5
199.14810	14.7
201.16356	12.4
203.18048	2.8
213.16374	14.6
227.17955	14.7
243.41263	2.4
283.24164	100.0
301.13940	3.1
301.25211	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2523
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
52.94522	1.6
55.05501	25.2
55.25434	1.9
57.07053	2.4
58.38830	1.8
58.63998	1.5
61.93192	1.5
64.76794	1.8
64.79007	1.7
67.05489	23.1
69.07045	11.2
74.87671	1.6
76.56953	1.9
79.05473	17.1
81.07033	46.9
83.08615	15.1
91.05453	27.2
92.08646	6.1
93.07015	42.6
95.04950	1.8
95.08579	47.2
97.06544	2.1
97.10162	3.5
105.07005	47.0
105.07654	2.7
107.08584	33.5
109.06513	3.1
109.10143	28.6
111.11693	2.3
117.07023	11.4
119.08541	40.2
120.33681	2.1
121.10119	34.4
123.11671	10.6
129.06989	7.1
131.08542	30.1
133.10091	36.0
135.11691	21.6
143.08542	11.3
144.09326	2.4
145.10097	40.1
147.11687	23.5
149.13257	10.4
157.10094	20.1
159.11664	37.2
161.13203	14.0
163.14699	3.1
165.12750	7.9
171.11670	18.3
172.12483	3.4
173.13248	15.4
175.14781	15.7
185.13202	8.2
187.14807	58.9
189.16365	16.8
199.14824	18.5
201.16309	19.9
205.15868	11.3
213.16377	34.1
219.17387	6.6
227.17943	11.7
231.17491	18.5
239.17999	2.3
241.19423	9.0
243.21046	2.4
283.24146	100.0
301.10648	3.5
301.25171	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2522
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
50.75855	1.4
51.53600	1.2
53.03942	1.5
55.05503	13.5
56.08964	1.6
57.07049	2.1
67.05495	26.4
69.07043	10.9
71.04986	13.7
79.05476	21.4
81.06590	3.2
81.07036	57.8
83.08607	13.9
85.06534	3.2
89.61162	1.6
91.05453	17.0
93.07024	37.5
95.04966	2.1
95.08581	57.5
97.10118	1.7
98.97551	2.7
101.59737	1.5
105.07002	36.0
107.08573	46.9
109.10152	36.0
116.98653	2.0
117.06974	7.3
119.08557	32.1
121.10120	34.7
123.11682	10.4
130.36058	1.9
131.08534	16.5
133.10103	28.3
134.99664	2.7
135.11649	29.7
136.11887	2.1
143.08569	3.0
145.10110	23.4
147.11671	45.3
149.13246	20.7
149.14268	2.3
152.62553	1.6
157.10129	2.7
159.11678	20.1
161.13214	21.6
163.14743	13.3
165.12703	19.1
171.11693	2.3
173.13226	28.5
175.14775	14.9
177.16316	4.1
184.21529	1.7
187.14845	16.0
189.16306	20.1
191.14258	2.6
199.14793	2.4
201.16379	20.9
203.18004	3.0
213.16260	6.5
217.19435	2.2
227.17909	17.6
231.15331	1.8
232.41728	1.5
241.19478	3.5
243.21033	3.2
257.22626	2.7
269.37030	1.7
283.24133	100.0
301.10614	3.0
301.13986	2.5
301.25198	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45575	1.4
53.09175	1.3
55.05506	13.5
56.75005	1.2
63.30244	1.5
67.05180	2.2
67.05487	29.5
69.07052	10.9
71.04968	16.0
74.64362	1.4
74.89378	1.4
79.05468	24.5
81.07036	60.3
81.07504	2.0
83.08609	15.1
85.06499	3.7
91.05444	18.5
92.08807	1.8
93.07021	41.6
95.04932	1.9
95.08575	67.0
97.10101	1.7
105.07011	37.6
107.08572	50.5
107.76031	1.7
109.10139	36.5
111.08033	2.8
113.09626	1.7
117.07027	5.4
119.08567	29.4
121.10103	24.0
123.11657	10.4
131.08549	16.7
133.10098	29.6
135.11646	40.0
137.09596	2.7
137.13203	2.2
143.08498	2.3
145.10100	20.4
147.11662	36.2
149.13223	20.9
151.11084	1.7
157.10168	2.7
159.11646	24.2
161.13234	25.0
163.14795	12.2
165.12682	3.1
173.13211	24.9
175.14767	13.8
177.12674	1.7
177.16280	6.5
187.14801	19.6
189.16325	26.1
191.14160	1.9
199.14780	3.0
201.16333	17.7
205.15823	2.7
213.16367	2.7
215.17950	5.9
217.19516	2.3
227.17934	19.5
241.19489	3.0
243.21057	7.2
255.21156	3.1
257.22537	2.3
266.39725	1.6
283.24124	100.0
301.25171	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05502	21.5
56.96547	4.2
57.07053	10.2
62.64452	2.4
65.03918	3.5
67.05485	30.0
68.33895	2.3
69.03407	10.0
69.07049	20.4
71.04968	11.9
79.05479	30.1
81.07028	45.2
83.08593	5.8
85.06510	3.7
91.05458	73.0
93.07015	45.7
95.04967	13.9
95.08585	27.9
97.06509	11.9
98.97543	4.3
105.06360	4.6
105.07007	93.8
107.04943	3.7
107.08575	57.2
109.06489	38.3
109.10151	25.7
111.08054	4.0
115.05438	6.1
116.06193	2.4
116.98616	2.8
117.07000	31.7
119.08552	100.0
121.06460	4.2
121.10128	32.6
123.11646	5.0
128.06186	9.7
129.07001	13.9
130.07744	15.9
131.08534	71.8
131.09444	4.2
133.10114	53.2
135.08047	25.3
135.11670	11.6
142.07733	11.3
143.08527	34.4
144.09329	11.5
145.10109	78.7
146.07225	9.6
147.07950	3.2
147.11659	27.2
149.13199	4.5
155.08539	4.1
156.09332	5.0
157.10121	16.7
158.10875	29.6
159.08018	8.8
159.11613	18.7
161.09602	48.2
163.11145	10.8
169.10062	5.1
170.10887	3.1
171.11687	13.1
173.13217	93.6
175.14769	5.0
179.08528	3.5
181.10124	4.9
183.11603	9.5
185.13252	13.2
191.14294	5.7
195.11708	3.7
199.14816	4.3
201.12679	3.0
201.16354	3.1
208.89409	2.5
209.13254	9.8
223.14818	4.1
227.14343	3.7
265.19507	3.4
283.20554	4.6
301.14236	3.7
301.21506	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	301.0916
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
50.33466	0.2
56.22963	0.2
61.02930	0.3
65.03928	5.2
66.25246	0.2
69.03416	0.9
81.03392	0.4
85.02886	2.0
87.46680	0.2
87.58821	0.2
92.08716	0.2
93.03378	1.4
97.02872	0.2
98.97612	0.2
105.03370	0.3
105.07042	0.2
109.02845	0.3
111.04445	2.2
121.02842	100.0
122.03201	0.3
135.88232	0.2
138.21657	0.2
139.03879	43.5
140.07082	0.3
147.10231	0.2
163.03783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	7.4
71.95233	0.9
73.41555	0.4
84.43064	0.4
92.08816	1.4
92.09358	0.6
98.97556	100.0
101.00851	0.5
116.98595	66.8
119.01950	0.8
134.99629	25.0
140.00223	0.5
153.00690	3.0
155.06966	1.7
158.01254	0.5
176.08371	0.5
185.06609	0.5
216.98570	0.5
219.01933	0.5
230.59999	0.5
234.99643	1.8
240.98718	2.4
258.99673	24.4
277.00732	65.9
294.98175	0.6
295.01709	0.7
299.09756	2.4
300.09998	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.0
57.07059	8.1
57.18430	0.6
62.74841	0.7
67.05491	23.5
69.07050	23.3
71.08600	1.4
72.20499	0.7
79.05469	10.6
81.07037	39.8
83.08612	6.8
83.09017	0.7
91.05458	9.4
93.07016	23.9
95.08582	90.0
97.10143	8.7
105.07010	24.9
107.08573	29.8
109.10142	40.0
111.11704	3.1
112.71838	0.7
116.55056	0.8
117.06958	1.1
119.08554	24.4
121.10114	23.1
123.11675	15.4
131.08559	1.9
133.10101	20.1
135.11681	13.9
137.13245	7.3
140.91196	0.9
145.10097	8.9
147.11656	23.8
149.13226	13.2
151.14780	1.2
159.11624	8.6
161.13220	25.3
163.14787	5.8
173.13228	4.5
175.14792	9.1
177.16322	3.4
187.14740	5.9
189.16357	17.7
190.71613	0.8
191.17932	9.9
199.70700	0.8
201.16353	10.9
203.17912	16.5
215.17978	8.4
217.19461	10.3
219.31004	0.7
229.19476	4.7
230.24780	1.1
243.20984	4.5
257.22592	3.4
258.24283	3.6
269.24124	0.9
299.27267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2369
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
55.05492	7.3
56.96547	2.1
62.89653	1.1
65.01523	1.2
66.42248	0.9
67.05492	14.8
68.86436	1.0
69.07038	5.1
69.60474	1.1
71.04957	7.5
76.36534	1.1
79.05470	19.6
81.07035	37.5
83.08591	4.6
84.00410	1.2
85.06524	21.0
91.05466	17.9
93.06475	2.0
93.07015	32.9
95.08575	35.6
97.10113	1.6
98.97535	1.3
105.06350	2.0
105.07011	35.2
107.08571	32.8
109.10146	15.6
111.08070	2.0
116.98557	1.3
117.06983	6.3
119.08537	24.9
121.10117	26.4
123.08076	2.4
123.11637	4.3
129.06967	5.9
131.08524	26.0
133.10094	37.8
135.11690	12.5
137.09555	1.5
142.07779	2.4
143.08517	14.9
144.09285	1.7
145.10097	100.0
147.11642	17.6
149.09557	1.3
149.13232	8.6
151.11128	2.0
155.08525	6.8
156.09291	2.0
157.10092	21.0
159.11652	39.4
159.12932	2.3
161.01158	2.7
161.13220	14.2
163.14822	1.8
169.10078	13.2
171.11636	19.7
173.13219	17.1
175.14767	10.6
183.11673	6.6
185.13196	17.4
187.14780	9.5
189.12712	5.0
189.16341	5.6
191.14206	1.6
197.13220	14.6
199.14757	11.7
211.14717	17.3
213.16251	4.8
215.17818	2.5
225.16293	18.3
239.17929	4.5
241.19440	8.4
249.65533	1.1
252.18546	1.3
253.19496	15.7
255.21022	5.8
271.20474	55.9
281.22568	55.8
299.23605	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2367
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
55.05495	22.6
56.96563	7.2
57.07050	14.6
61.93642	3.1
67.05495	47.0
69.07040	20.5
71.04967	7.5
71.08611	3.1
79.05472	34.6
81.06590	6.2
81.07040	99.6
83.08595	5.7
85.06528	54.7
91.05474	38.2
93.07025	56.2
95.04965	5.3
95.08581	68.8
98.97546	7.8
105.07015	71.7
107.08582	42.7
109.10149	35.2
113.20374	3.8
116.98615	9.3
117.07028	6.9
119.08552	55.2
121.10126	29.0
123.11716	4.6
129.06975	6.2
131.08539	64.7
133.10086	37.5
134.99637	5.6
135.11659	26.0
143.08546	21.0
145.10097	29.8
147.11653	50.2
149.13225	35.5
155.08430	5.8
157.10114	14.4
159.11661	45.7
161.13200	72.6
171.11674	28.3
173.13242	19.0
175.14781	19.2
183.11653	5.7
185.13237	20.5
187.14748	7.8
189.12750	19.3
197.13141	6.0
199.14876	25.9
211.14792	12.9
215.17801	5.1
225.16389	25.6
255.21275	5.4
257.22687	5.0
258.27792	16.3
281.22577	100.0
281.26334	27.7
299.09653	7.0
299.23669	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10272	3.5
53.95982	4.1
55.05500	18.8
56.21217	3.5
56.96546	21.4
62.56453	3.8
62.64474	4.1
62.86595	3.8
67.05489	31.6
69.07039	19.9
79.05468	9.0
81.07029	39.6
83.08580	7.1
91.05460	21.1
93.07045	36.5
95.08077	4.7
95.08569	40.8
98.97566	27.0
105.07010	32.2
107.08558	22.6
109.10139	22.3
116.98583	35.0
117.06985	10.0
119.08575	23.5
121.10130	18.2
123.08046	27.7
131.04877	5.0
131.08554	28.0
133.10124	25.6
134.99629	18.4
143.08543	11.3
145.10118	71.0
147.11642	6.3
155.08504	10.6
156.09248	5.9
157.10098	20.6
159.11664	47.0
161.01213	6.9
163.03868	5.8
169.10092	21.2
171.11687	22.1
173.13264	18.7
182.10789	7.2
183.11671	10.7
185.13286	6.0
197.13304	33.7
199.14780	22.4
210.13950	5.3
211.14828	10.7
225.16359	20.2
241.19435	4.9
252.96611	4.9
253.19510	6.2
271.20471	52.5
281.22556	69.6
299.23572	100.0
312.30426	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	299.2367
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03914	0.8
54.28474	0.6
55.05275	0.8
55.05501	9.0
56.96537	1.0
57.07045	1.6
67.05148	0.9
67.05488	19.8
67.07621	0.6
69.07053	9.0
71.04977	11.9
79.05475	19.7
81.07040	35.1
81.53478	0.9
83.04958	1.3
83.08591	4.1
85.06529	33.2
91.05449	21.9
93.07025	37.2
95.04935	3.2
95.08579	40.9
97.06507	1.1
97.10126	3.5
98.97553	3.0
105.07012	46.4
107.08571	37.4
109.06495	1.4
109.10131	16.2
111.08066	1.8
116.98606	3.3
117.06995	10.7
119.08558	31.6
121.10126	36.0
123.08067	1.2
123.11680	4.8
125.09600	1.0
128.06187	1.3
129.06956	11.0
131.08540	46.3
132.24173	0.9
132.39427	0.8
133.10103	42.0
135.11668	16.3
137.09572	1.6
137.13342	0.7
141.06982	4.2
142.07748	4.4
143.08548	17.2
145.10101	100.0
147.11661	25.3
149.09668	1.1
149.13246	12.7
151.11172	2.9
155.08511	9.2
156.09288	1.7
157.10098	24.6
159.08047	1.7
159.11665	45.4
161.13223	23.6
163.14792	2.0
165.12726	2.9
168.09352	1.0
169.10089	13.1
171.11667	23.2
173.13205	23.4
175.11182	1.1
175.14799	6.0
177.12764	1.0
179.14247	1.0
183.11641	9.4
185.13229	22.8
187.14803	11.8
189.12656	6.4
191.14311	1.9
195.11771	1.4
197.13217	18.0
199.14804	16.3
201.16362	2.8
203.14294	1.7
211.14795	25.2
211.38287	0.9
212.15436	0.9
213.16354	5.0
215.17885	6.9
217.15945	2.7
225.16341	26.3
229.15741	1.1
229.19495	1.3
237.16283	1.2
238.17203	1.6
239.17979	6.2
241.19446	10.0
243.17296	1.3
253.19475	18.0
255.21040	8.3
271.20508	42.4
281.22583	79.4
283.03183	1.0
299.06021	1.2
299.23639	98.4
304.48007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81546	4.5
55.05502	25.5
56.96557	22.7
57.03423	4.8
57.07053	4.2
60.08479	3.5
67.05493	29.2
69.07049	21.0
72.13036	3.6
79.05462	21.0
81.07044	43.6
83.04964	3.7
83.08589	18.6
84.47514	3.5
85.06503	3.5
87.53542	3.7
88.23430	3.5
91.05455	22.6
91.79124	3.6
93.07015	35.4
95.08580	64.1
97.00384	4.1
97.06487	5.0
97.10169	5.2
98.97567	25.2
105.07031	25.1
107.08601	38.9
109.06478	5.9
109.10148	35.6
111.08086	4.9
113.74556	3.5
114.36714	3.6
116.98614	22.0
119.08569	52.8
121.10126	16.4
123.08073	14.8
123.11632	5.8
124.14222	3.9
129.06979	3.9
131.08536	5.4
132.92708	3.7
133.10088	30.2
134.99634	15.6
135.11646	13.9
145.10193	6.0
147.11719	17.1
149.13300	5.9
157.10077	6.5
159.11711	21.7
161.13226	7.1
171.11641	7.7
173.13275	7.7
175.14670	13.7
177.16284	4.4
185.13187	5.6
187.14862	6.2
189.16290	29.6
198.01065	4.1
199.14822	6.7
241.07474	4.3
247.08447	5.9
247.47348	3.9
259.08359	6.8
275.97845	4.9
289.23053	5.0
299.09692	5.4
299.23679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.1
56.93578	1.2
59.52848	1.3
67.05486	31.7
69.07047	10.2
69.07368	1.4
71.04967	16.4
79.05469	31.9
81.07034	98.3
83.08588	7.7
85.06523	51.2
91.05450	31.9
92.09355	3.1
93.07014	53.8
95.04967	3.4
95.08582	56.3
97.10158	2.3
105.07010	71.5
107.08566	39.1
109.06457	1.9
109.10143	31.8
111.08062	1.8
117.06973	12.5
119.08551	51.5
121.10117	26.4
123.08062	3.3
123.11678	6.0
129.06972	14.7
130.07784	1.8
131.08534	64.2
133.10110	39.7
135.11661	25.4
137.09634	2.5
141.07027	2.8
142.07704	2.3
143.08554	21.1
144.09364	1.6
145.10117	34.2
145.56677	1.7
147.11664	48.6
149.13232	40.2
151.11156	1.9
154.98915	1.9
155.08554	9.2
156.09306	3.5
157.10095	16.9
159.11656	53.8
161.13216	86.3
163.11269	1.9
163.14732	2.1
165.12743	2.1
169.10095	9.6
171.11649	37.9
173.13234	23.4
175.14755	23.5
183.11670	8.5
185.13182	20.3
187.14796	8.3
189.12717	20.6
197.13214	11.7
199.14766	20.2
201.16342	2.2
211.07732	1.6
211.14764	17.5
213.16371	3.1
215.17967	6.6
217.15822	3.7
219.62650	1.5
225.16269	19.1
229.19392	2.0
229.82478	1.7
239.17836	3.2
241.19463	7.2
243.17332	2.1
253.19395	2.8
255.21040	3.4
266.20297	1.8
281.22571	100.0
281.76453	1.8
299.23627	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2364
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
54.81971	2.6
55.05500	8.4
64.66512	2.1
67.05481	14.6
69.07056	3.4
71.04980	8.5
79.05478	16.7
81.07037	31.7
83.08592	9.9
85.06526	40.5
91.04954	2.0
91.05459	19.5
92.08806	16.7
93.07028	32.2
95.08569	37.2
98.92584	2.3
105.07009	36.6
106.86825	2.1
107.08560	29.6
109.10149	12.4
109.62373	2.2
117.06974	3.5
119.08549	28.5
121.10104	11.7
131.08554	39.7
133.10101	26.7
135.11650	12.6
138.32603	2.0
143.08534	16.7
145.10086	25.5
147.11685	22.2
149.13248	13.0
155.08566	3.7
157.10080	18.0
159.11679	48.1
161.13194	21.7
163.14922	2.2
169.10069	8.8
171.11636	24.4
173.13242	13.0
175.14735	16.9
182.10944	2.5
183.11609	5.4
185.13232	13.8
187.14825	10.6
189.12720	5.0
197.13261	20.1
199.14812	16.7
201.16304	4.2
211.14745	19.7
215.17851	4.0
217.15805	2.8
225.16313	17.7
227.17795	4.1
239.17908	4.8
241.19426	13.3
253.19446	74.8
255.21010	14.9
281.22559	100.0
299.23618	83.7
300.99475	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	299.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41742	1.8
55.05490	14.6
60.70025	1.7
67.05495	17.1
69.07031	8.7
79.05468	22.8
81.07040	40.3
83.04947	11.0
83.08604	3.7
91.05464	15.6
93.07011	28.7
95.04966	3.9
95.08598	31.2
97.06516	56.6
105.07013	32.2
107.04930	4.8
107.08580	25.5
107.98096	2.3
109.05811	4.0
109.06503	80.8
109.10139	14.4
119.08572	27.4
121.06478	4.7
121.10105	23.7
123.08055	40.6
123.11667	8.7
130.85991	2.1
131.08524	12.7
133.10126	25.0
135.11642	10.2
143.08528	11.5
145.10132	17.1
147.11676	12.8
149.09569	5.1
149.13268	4.1
155.08530	3.0
157.10066	8.8
159.11681	16.2
161.13229	9.2
169.10049	5.2
171.11664	4.4
173.13156	15.4
175.14803	4.5
177.12715	12.6
183.11642	4.3
185.13174	9.8
187.14780	12.9
189.16350	14.1
197.13202	9.9
199.14798	4.6
201.16302	2.6
211.14859	8.5
215.14316	3.7
225.16324	8.3
229.15784	3.2
237.16316	5.3
241.19379	8.4
281.22543	28.8
299.23651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2367
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
51.77143	1.0
53.03924	0.9
54.17493	0.9
54.82097	1.0
55.05502	9.1
65.03884	1.1
67.05488	17.7
69.07042	4.8
71.04967	10.8
79.05470	14.3
81.07037	34.1
83.08592	8.1
84.56264	1.1
85.06527	38.2
85.40253	1.2
91.04939	1.8
91.05453	20.2
93.07018	31.1
95.08575	36.4
97.10150	2.1
105.07005	36.7
106.31142	1.2
107.08588	27.7
109.06467	2.1
109.10139	16.2
111.08044	1.2
117.06985	7.7
119.08563	28.1
121.10121	19.1
123.11694	2.1
129.06982	7.1
130.07831	1.1
131.08539	43.2
133.10098	32.2
135.11653	13.1
137.09601	1.5
143.08543	15.5
145.10106	97.8
147.11655	23.0
149.13228	7.8
151.11009	1.2
155.08513	5.7
156.09315	7.0
157.10100	21.9
159.11668	42.0
161.13226	22.2
165.12715	2.2
169.10089	8.5
171.11662	20.8
173.13214	16.7
175.14807	10.4
177.12689	1.7
183.11623	8.2
185.13199	20.1
187.14760	8.5
189.12715	8.2
189.16306	1.7
191.14270	2.2
196.81088	1.3
197.13226	9.5
199.14751	11.8
201.16345	1.6
203.14359	1.3
211.14801	16.9
213.16495	1.7
215.17842	4.8
217.15787	2.4
225.16341	23.3
229.19542	1.6
229.27367	1.2
239.17860	5.8
241.19524	12.0
252.51414	1.4
253.19467	27.1
255.21046	12.6
270.53574	1.2
271.20502	42.5
281.22571	74.7
299.23630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2366
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03938	2.5
55.05499	9.9
61.18296	1.3
67.05493	29.1
69.07052	9.1
71.04968	10.1
75.13976	1.4
79.05479	25.4
81.07040	77.5
83.08607	7.6
85.06532	47.3
91.05457	30.5
93.07026	49.4
95.08582	47.7
99.08031	1.5
105.07013	63.0
107.08576	35.5
109.10130	23.8
117.06989	9.6
119.08568	47.7
121.10116	22.1
121.67657	1.7
123.08060	1.9
123.11691	7.9
129.06989	11.0
131.08543	65.1
133.10098	36.3
135.11699	21.6
137.09624	2.2
141.06955	3.1
142.07776	2.6
143.08531	21.6
144.09380	2.4
145.10091	25.5
147.11668	48.3
149.13225	32.9
151.11113	3.3
155.08528	8.1
156.09294	2.6
157.10112	19.3
158.61383	1.8
159.11670	38.3
161.13219	83.5
163.14772	2.4
169.10126	7.9
171.11668	36.1
173.13260	15.9
175.14807	24.7
183.11687	6.7
184.59285	1.7
185.13235	23.0
187.14771	7.9
189.12723	14.5
196.12456	2.8
197.13257	9.1
199.14787	19.9
203.14301	1.9
211.14807	15.2
213.16344	2.5
213.23204	1.5
215.17934	6.1
217.15828	3.3
225.16403	18.6
239.17952	2.6
241.19516	2.8
255.20944	8.2
267.86041	1.8
281.22589	100.0
299.23636	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1124
Annotation	Picein
Peak:m/z	Relative Intensity
50.07121	0.2
58.66471	0.2
61.02905	0.3
68.05000	0.2
69.03426	2.0
77.27057	0.2
79.05485	0.4
79.77937	0.2
81.03429	0.3
85.02888	2.2
86.09688	0.4
96.04472	1.7
97.02869	0.5
113.61299	0.3
119.08544	0.2
122.06645	0.3
123.53632	0.3
137.05957	100.0
144.05635	0.3
145.04921	0.4
285.13806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80018	1.2
52.30624	1.2
55.05491	11.8
67.05490	18.1
69.07041	3.7
69.78275	1.6
71.04977	12.0
71.47021	1.6
79.05460	17.6
81.07027	36.8
83.08589	9.5
85.06532	40.3
85.17879	1.6
91.05434	16.7
93.07013	35.9
95.08583	47.5
97.10142	2.2
105.07016	46.2
107.08572	32.5
109.06496	2.0
109.10139	19.4
109.31026	1.8
111.08028	2.9
117.06979	9.5
117.79683	1.6
119.08541	36.1
121.10116	27.2
123.11668	3.2
128.06229	2.1
129.06982	7.6
130.07698	2.1
131.08524	46.5
133.10106	42.7
135.11653	17.8
141.06868	2.0
142.07797	2.5
143.08516	16.7
145.08963	3.3
145.10095	97.8
147.11665	22.1
149.13217	11.5
155.08533	7.9
156.09357	2.9
157.10068	20.2
159.11659	51.1
161.13196	21.1
163.14839	2.1
169.10103	12.6
171.11676	18.7
173.13188	21.4
175.14754	12.5
183.11600	2.3
185.13185	16.7
187.14821	12.9
189.12689	4.1
197.13197	16.9
199.14749	16.2
201.16306	2.6
211.14769	22.3
213.16335	2.3
215.17999	7.2
217.15831	2.7
225.16336	25.4
239.17863	3.1
241.19617	13.5
241.29716	1.6
253.19490	27.4
255.21037	11.8
271.20529	46.0
281.22537	80.0
281.25439	3.5
284.11499	2.0
299.23611	100.0
318.87903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22487	2.2
55.05304	1.9
55.05503	31.3
56.96555	20.5
57.03410	6.3
67.05145	3.4
67.05489	90.7
69.03413	3.5
69.07060	28.1
71.04951	2.5
72.84930	2.4
74.93093	2.8
79.05473	100.0
81.03413	21.4
81.07034	61.2
83.04957	13.3
83.08587	9.9
84.47398	2.8
91.05450	48.6
92.09334	3.8
93.07026	62.8
95.04954	25.2
95.08578	68.5
97.06528	5.9
98.97563	59.9
105.07004	41.3
107.08588	43.9
109.06522	4.9
109.10142	24.5
116.98599	54.9
117.06948	8.7
119.08557	22.8
121.10114	18.8
123.08083	3.2
123.11686	3.0
127.44067	2.6
131.08560	5.2
132.64558	2.6
133.10088	12.1
134.99638	46.6
137.09607	5.7
145.10057	4.8
147.11617	5.4
153.00726	5.7
153.38306	2.7
156.49930	2.5
159.11633	4.1
161.01265	3.5
181.12169	5.3
232.96448	4.5
274.97409	28.9
292.98557	32.0
293.98831	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	299.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.2
56.96549	0.4
57.07051	0.2
58.82132	0.2
58.89645	0.2
61.02903	0.3
66.97678	0.3
68.05021	0.5
69.03417	0.6
81.03399	0.5
85.02882	2.3
86.08382	0.3
86.09702	0.6
86.42860	0.3
93.16424	0.3
96.04484	1.8
97.02845	0.4
101.83854	0.3
109.02824	0.4
124.03923	0.4
125.71009	0.2
129.24806	0.2
129.61252	0.2
130.15874	0.3
132.43558	0.2
137.05959	100.0
199.73347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.81576	0.1
57.03445	0.1
59.82233	0.1
61.01140	8.0
65.49246	0.1
69.03403	0.6
71.01324	0.1
75.02689	4.3
75.99583	0.1
85.07793	0.1
92.09275	0.2
94.04057	0.5
97.02879	1.8
103.02129	0.5
119.03530	0.7
126.50957	0.1
136.06168	100.0
137.04535	0.6
145.03185	1.2
163.04196	1.0
218.59654	0.1
269.90024	0.1
298.09622	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	297.2421
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.33739	2.8
55.01868	90.6
55.02121	6.3
55.05505	42.7
57.03419	5.7
57.07051	11.8
67.05492	60.4
69.07054	100.0
71.04972	5.3
72.73835	2.4
72.93745	2.8
76.52879	2.9
79.05469	33.0
81.07031	48.7
83.04972	24.9
83.08600	41.6
91.05445	11.6
92.09311	10.6
93.07022	51.4
95.08573	39.9
97.06499	18.0
97.10122	4.0
105.07006	4.4
107.08582	32.5
109.10145	26.8
111.08060	6.1
112.78101	2.7
117.06986	4.8
121.10147	22.5
123.11704	4.8
131.08560	4.2
133.10124	4.1
135.08058	5.3
135.11664	27.2
137.13223	5.0
149.09590	5.8
149.13232	4.9
153.12730	38.3
159.11726	3.2
163.11108	2.8
233.22548	6.4
243.20946	4.5
250.89252	5.1
251.23621	3.3
261.22141	11.6
274.19406	2.7
277.61777	2.6
279.23126	53.5
297.24036	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	297.242
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.68599	1.5
55.05266	1.5
55.05496	17.5
57.03421	13.5
57.06865	1.4
57.07065	27.0
67.05488	39.1
69.07054	16.6
71.01324	11.6
71.04955	2.9
71.08614	16.1
76.51804	1.6
79.05462	12.5
81.07024	40.1
83.08603	4.0
84.36907	1.4
92.63883	2.1
93.07011	13.1
95.08582	41.5
97.06474	2.2
97.10138	7.4
107.08559	2.5
109.10139	12.7
113.05952	3.5
121.10110	9.2
123.08002	2.1
123.11630	2.1
125.09627	2.9
141.12709	4.5
151.14751	2.2
169.15839	8.0
183.12102	3.6
183.13757	100.0
223.21065	2.1
246.08022	2.2
250.89215	2.5
251.23607	16.1
279.23105	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	297.2211
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
54.81406	1.4
55.01862	2.0
55.05495	8.5
56.96561	12.2
57.07046	1.7
58.31925	1.8
58.37549	1.4
67.05505	12.3
69.07047	7.4
79.05493	12.1
81.07043	32.0
83.08597	2.3
84.72895	1.5
91.05455	11.8
92.08821	6.8
92.09898	1.7
93.07034	17.2
95.08579	22.1
98.97572	21.2
105.07018	32.6
107.08556	13.9
109.06511	1.9
109.10137	3.6
116.98582	16.6
117.07011	12.9
119.08570	33.4
119.32490	1.5
121.10108	8.1
123.08041	7.0
129.06989	3.5
131.08554	30.7
133.10117	71.3
134.99643	12.5
135.11633	3.1
141.27745	1.7
143.08537	8.4
144.09360	3.6
145.10106	43.3
147.11674	8.9
147.81900	1.8
149.09612	2.2
155.08638	2.5
156.09386	2.5
157.10104	7.9
158.10936	2.9
159.11679	22.9
161.13213	3.2
171.11668	8.8
173.13220	42.0
175.14847	3.2
181.10161	1.9
183.11699	7.2
185.13257	7.3
187.14786	57.3
187.16435	2.5
197.13237	3.9
199.14876	2.0
201.16351	2.3
209.13286	1.9
210.76421	1.6
214.62079	1.6
215.26823	2.0
217.47241	1.6
223.14716	2.2
227.17899	2.6
239.17848	6.6
271.72281	1.9
274.97495	9.9
279.21091	3.3
292.98538	12.0
297.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.221
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
55.05500	12.9
56.96548	2.6
59.27421	1.0
62.86543	1.1
65.03931	2.3
67.05492	29.0
69.07065	8.3
71.04970	11.7
79.05479	27.1
81.07038	100.0
83.08606	2.3
85.06526	19.4
91.05459	28.0
93.07021	28.7
95.04931	1.8
95.08592	41.0
97.10139	1.2
98.97562	11.0
105.07011	36.1
107.08578	24.3
109.06499	2.4
109.10136	12.7
115.05431	1.7
116.98601	14.4
117.06993	21.6
118.64314	1.2
119.08575	19.0
121.10121	6.6
128.06242	1.7
129.06972	12.2
130.07788	2.1
131.08540	39.1
133.10109	25.5
134.99631	6.7
135.11681	5.6
137.09587	1.7
141.06995	2.1
142.07764	11.9
143.08533	18.9
144.09360	2.7
145.10104	40.6
147.11671	25.4
149.13257	1.9
151.11188	1.3
153.00572	1.1
155.08534	24.5
156.09338	4.7
157.10103	51.9
159.08052	1.3
159.11678	49.6
161.13216	2.7
165.06972	2.1
167.08528	5.1
168.09305	4.4
169.10094	18.8
171.11601	18.5
173.13193	10.1
179.08557	5.5
180.09380	5.0
181.10075	8.5
182.10898	6.0
183.11659	34.1
185.13223	10.1
187.14761	1.8
189.12711	2.1
190.95169	1.3
193.10078	1.2
194.10957	7.0
195.11658	28.4
196.12408	2.3
197.13237	20.3
199.14841	5.2
203.14226	1.4
208.12442	1.8
209.00461	1.2
209.13213	34.3
211.14862	8.7
212.17607	1.3
213.12856	1.4
213.16313	8.8
215.14333	6.0
217.16068	1.8
222.14218	1.3
223.14790	18.5
224.15576	1.4
227.14014	1.9
227.17929	1.5
233.96353	1.2
234.18871	1.1
235.14819	1.6
237.16396	5.2
239.17923	28.4
251.17867	19.8
253.19475	4.6
274.97394	5.6
279.20999	42.8
292.98468	7.1
293.28363	1.2
296.25598	1.6
297.22095	90.7
297.25836	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	297.221
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
53.03920	1.2
55.05494	6.6
57.64558	0.8
58.61066	0.9
67.05495	15.9
69.07069	3.1
79.05455	11.7
81.06586	1.7
81.07035	26.1
85.06531	1.1
91.05447	14.7
93.07023	21.6
94.00433	1.0
95.04920	1.6
95.08584	31.4
97.06508	1.5
101.21317	1.0
105.07008	23.7
105.37048	1.0
107.08564	14.0
109.06510	1.6
109.10126	5.9
115.03493	0.8
117.06992	10.1
119.08567	17.6
121.10099	8.4
123.08039	1.2
128.06175	1.4
129.06963	15.2
131.08540	47.6
133.10080	11.0
135.11656	5.6
141.06973	5.9
142.07736	5.1
143.08549	23.6
145.10086	28.6
147.11708	7.6
153.06985	1.5
154.07750	2.0
155.08545	10.1
156.09291	1.4
157.10101	25.3
159.11668	30.9
161.09586	1.6
161.13240	4.6
167.08487	7.0
168.09325	1.7
169.10077	16.4
171.11635	15.1
173.13226	10.5
175.14738	1.8
179.08595	1.7
180.09242	1.1
181.10071	11.3
182.10881	2.2
183.11630	20.8
185.13226	22.3
187.11096	2.0
187.14751	6.0
195.11702	17.1
196.12462	1.1
197.13231	21.6
199.14777	10.3
201.16248	1.5
203.14322	1.2
208.12378	1.6
209.13235	13.3
211.14754	9.6
213.16371	4.6
215.14333	1.5
221.13380	1.7
222.13870	1.9
223.14771	21.2
224.15652	1.3
225.16344	7.1
227.17998	1.5
235.14877	2.0
237.16292	10.7
239.17873	36.9
241.15843	1.8
249.16429	1.8
251.17899	24.7
253.19498	2.3
255.17410	2.2
255.20811	1.2
264.18604	2.2
267.21115	1.1
269.19095	3.8
269.22586	12.9
279.21008	63.3
297.22076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.221
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
54.81702	1.0
55.05490	6.7
56.96546	1.4
58.17094	1.2
67.05476	10.4
69.07050	2.9
69.44096	1.2
72.10912	1.3
79.05464	11.1
81.07037	27.5
81.55315	1.2
82.58396	1.3
83.04955	1.6
83.08597	1.6
91.05465	13.2
92.09148	7.0
93.07019	22.3
95.08572	18.3
98.97579	2.4
99.04453	1.4
105.06998	22.0
106.69598	1.3
107.08594	15.5
109.06462	1.7
109.10133	8.8
116.98586	1.9
117.06989	7.6
119.08528	12.8
121.10102	7.9
123.08099	1.8
128.06189	2.1
129.06964	10.0
131.08530	28.4
133.10106	9.9
135.11665	7.9
141.06941	6.1
142.07770	2.6
143.08533	16.8
145.10107	21.1
147.11684	6.9
155.08505	10.7
157.10089	17.8
159.11656	18.7
161.13214	3.1
167.08482	6.4
168.09358	1.7
169.10062	15.3
171.11687	13.4
173.13272	5.9
175.14796	1.8
181.10133	8.5
182.10962	2.2
183.11635	16.1
183.49461	1.3
185.13232	16.6
187.11072	1.6
187.14799	6.7
195.11671	9.2
197.13228	17.1
199.14758	10.7
209.13211	12.3
211.14780	9.1
213.16391	5.7
215.14279	5.5
223.14789	14.9
225.16385	5.9
227.17839	2.6
233.94408	1.3
237.16391	9.1
239.17905	36.4
241.15939	2.2
251.17891	19.4
253.19492	7.9
269.18903	1.3
269.22699	14.2
274.97327	2.0
279.21027	66.3
297.22064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.221
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
54.82204	1.2
55.05488	7.4
57.07035	1.4
67.05494	15.4
67.41574	1.5
69.07062	1.9
71.04961	9.8
75.77361	1.6
79.05463	17.0
81.07032	50.3
82.48731	1.4
83.08594	3.1
85.06520	24.7
91.05461	19.4
92.09286	2.5
93.07020	17.3
95.08584	24.3
105.07014	44.4
107.08575	18.5
109.06502	1.8
109.10139	6.2
117.07008	18.0
119.08535	18.9
121.10120	3.2
128.06236	1.8
129.06967	12.5
131.08527	39.5
133.10086	14.0
133.38745	1.7
135.11658	3.5
137.09624	3.0
141.07013	2.7
142.07730	8.1
143.08525	22.3
144.09253	2.1
145.10127	30.7
147.11670	21.7
155.08504	16.1
156.09291	2.4
157.10098	39.1
159.11670	42.0
161.13226	3.5
167.08501	1.7
169.10100	17.4
171.11658	21.1
173.13251	10.2
179.08510	2.3
181.10123	6.1
183.11638	19.4
185.13220	9.5
189.12701	6.4
195.11664	14.9
197.13220	22.4
199.14815	8.3
201.12651	1.8
209.13185	17.6
211.14769	6.9
213.16370	8.9
215.14333	5.4
223.14796	19.9
227.18010	2.1
237.16269	2.9
239.17938	7.6
241.15843	2.7
251.17870	3.5
253.19438	15.2
279.20996	35.0
297.22061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.7
56.95508	1.5
63.73130	1.4
66.08753	1.1
67.05488	19.1
69.07048	1.8
70.95110	1.2
71.04966	14.2
79.05482	18.7
81.07034	59.1
83.04974	1.5
83.08586	2.2
85.06067	1.8
85.06531	29.7
91.05460	22.9
92.08996	9.9
93.07018	27.9
95.04967	2.2
95.08586	32.2
95.45718	1.3
105.07008	62.5
106.44808	1.6
107.08575	25.4
109.10124	12.4
117.07008	21.6
119.08566	26.6
121.10159	11.5
121.99657	1.5
123.11646	1.9
128.06183	5.7
129.06952	16.4
130.07828	1.7
131.08543	43.8
133.10092	19.6
134.22821	1.6
135.11673	2.9
137.09641	5.8
141.06973	6.9
142.07762	11.2
143.08542	36.4
144.09308	3.2
145.10098	43.6
145.23724	1.4
147.11668	30.3
151.11125	1.7
154.07751	1.5
155.08539	16.1
156.09341	2.5
157.10100	38.6
159.11662	65.4
161.13203	8.6
165.07022	2.2
167.08511	3.3
168.09334	3.0
169.10086	22.3
171.11635	22.5
173.13232	14.1
175.11072	1.5
175.14772	2.0
179.08484	6.1
180.09276	2.3
181.10110	8.0
182.10817	3.0
183.11649	24.0
185.13185	15.4
187.11252	3.3
188.66978	1.4
189.12672	1.7
193.10120	1.8
194.10912	1.9
195.11630	15.9
197.13210	25.9
199.14702	9.6
201.12642	1.8
207.11748	1.6
209.13239	16.3
211.14775	8.6
213.12775	2.2
213.16360	8.8
215.14259	11.8
223.14798	32.4
225.16309	2.0
227.14241	4.9
227.17909	3.2
237.16316	2.8
239.17859	10.6
241.15775	5.7
250.17180	1.6
251.17903	6.7
253.19406	24.6
255.17366	1.6
255.20941	3.0
279.20990	35.7
297.22061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2209
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
50.62899	1.2
53.24800	1.0
55.05505	9.4
56.96528	1.7
64.76124	1.0
67.05488	26.8
69.07045	1.7
71.04977	11.8
79.05469	21.6
81.07034	100.0
82.86592	1.2
83.08542	1.9
85.06527	25.0
91.05457	26.0
92.66653	1.2
93.07023	27.7
95.04908	1.4
95.08578	32.7
98.97558	6.1
105.07008	33.6
107.08572	20.8
109.10151	11.3
111.08035	1.8
115.05440	1.5
115.57632	1.5
116.98587	2.5
117.06994	17.4
119.08543	16.9
121.10135	7.1
123.08002	1.9
128.06216	1.8
128.29420	1.3
129.06972	9.1
130.07767	2.3
131.08545	48.2
133.10106	20.4
134.99666	1.7
135.11673	2.6
141.06946	4.3
142.07730	11.7
143.08530	19.9
144.09274	2.6
145.10104	34.4
147.11665	21.3
151.11159	2.6
155.08525	19.5
156.09348	2.6
157.10098	49.3
159.11670	51.3
160.80516	1.5
161.13225	5.4
167.08464	4.7
168.09335	2.5
169.10094	9.9
171.11633	16.3
173.13217	12.0
179.08537	5.9
180.09280	5.0
181.10147	6.4
182.10817	2.5
183.11665	27.4
184.12389	1.3
185.13249	7.7
189.12668	3.0
193.10004	2.0
194.10927	5.3
195.11661	26.8
197.13242	18.8
199.14830	5.1
203.14313	1.4
208.12399	2.9
209.13214	31.2
211.14789	7.5
213.16360	6.6
215.14275	5.8
217.15941	1.2
222.14085	1.5
223.14751	22.0
227.17908	1.9
237.16353	5.3
239.17845	4.3
250.17210	1.3
251.17867	14.5
253.19467	4.8
264.18719	2.2
279.21002	38.8
289.02200	1.3
292.98471	2.6
297.22064	84.4
306.79233	1.4
313.20764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2208
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
52.18084	1.3
54.81713	1.5
54.81972	1.5
55.05488	3.0
57.01086	1.4
59.78245	1.5
67.05187	1.5
67.05481	14.2
69.07037	2.5
79.05456	11.2
81.07033	26.8
83.08583	2.0
91.05463	11.9
93.07021	17.2
95.04941	2.5
95.08578	27.1
98.97569	10.7
105.07024	22.2
107.08580	15.0
107.89000	1.8
109.10120	8.7
116.98578	9.0
117.06983	7.5
119.08544	13.9
121.10116	3.8
129.06953	9.7
131.08548	34.4
133.10141	12.8
134.99599	3.0
135.11653	6.8
141.06956	3.5
142.07774	3.1
143.08556	23.5
145.10097	23.7
147.11662	11.4
149.13086	2.4
155.08536	15.1
157.10101	23.4
159.11676	30.0
164.16980	1.9
167.08545	7.2
168.09280	3.1
169.10127	12.0
171.11661	17.0
172.33885	1.8
173.13211	7.5
181.10062	11.1
182.10829	3.4
183.11653	21.2
185.13200	24.1
187.14775	6.9
189.07655	1.7
195.11685	14.5
197.13161	14.4
199.13083	1.7
199.14674	13.4
209.13222	16.4
211.14769	11.2
213.16385	3.7
213.67722	2.1
223.14816	20.8
224.15437	3.1
225.16379	3.3
225.62675	1.6
227.17938	2.3
235.90041	1.8
237.16368	8.7
239.17886	30.8
251.17900	22.2
253.19456	7.4
264.18686	3.1
269.22568	16.9
274.97568	3.4
279.21045	74.8
292.98468	7.1
297.22070	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	Colneleic acid
Peak:m/z	Relative Intensity
53.03945	3.7
54.81827	3.4
55.01856	7.8
55.05505	63.3
57.03439	6.3
57.07053	14.0
59.04991	5.3
67.05486	100.0
69.03396	6.9
69.07050	39.2
71.08633	3.5
79.05469	52.2
81.03391	4.2
81.07040	78.9
82.08624	3.6
83.04958	24.5
83.08598	20.6
91.05460	43.2
93.07016	53.2
95.04929	23.5
95.08582	58.9
97.06509	8.0
97.10139	26.0
105.07007	28.2
107.08576	30.9
109.06503	7.0
109.10133	28.4
111.08086	6.3
119.08546	18.0
121.10134	15.7
125.09595	8.0
133.10095	8.3
135.11659	7.4
137.09550	4.3
139.11171	5.0
140.92006	3.4
145.10072	4.8
147.11690	7.5
149.13229	4.5
151.11057	4.3
152.77562	3.7
187.12122	3.8
248.02458	3.8
277.21487	42.7
295.22620	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03947	2.0
55.01857	8.9
55.05500	61.4
57.03424	12.2
57.07063	10.5
65.03915	2.6
67.05487	100.0
69.03429	2.8
69.07047	41.5
71.04974	8.2
71.08621	8.0
72.50373	1.8
77.84158	2.0
79.05473	53.3
81.03410	7.2
81.07037	74.8
83.04971	23.6
83.08611	23.7
85.06532	4.0
91.05457	36.1
92.08886	11.5
93.07022	56.1
95.04957	20.2
95.08585	39.3
97.06520	11.3
97.10140	18.9
99.08047	2.8
105.07000	29.3
107.08566	26.5
109.06533	3.8
109.10129	24.5
109.96317	1.8
111.08059	3.6
117.06954	4.3
119.08553	21.3
121.10128	12.6
123.08070	3.1
123.11696	4.7
125.09634	14.5
131.08603	4.0
131.09644	1.8
133.10103	8.4
135.11665	8.1
137.09589	7.7
139.11192	8.2
143.08568	3.0
145.10086	1.9
147.11610	6.7
149.09599	2.6
149.13251	3.2
151.11150	9.8
154.67725	1.8
157.10107	2.2
161.13205	4.7
189.11198	4.3
217.78893	2.1
259.20517	4.1
277.21567	40.6
295.22568	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.85491	2.3
53.03928	3.8
55.01857	4.5
55.05506	73.1
57.03431	2.8
57.07055	5.5
67.05491	100.0
69.03409	2.6
69.07058	29.8
70.12910	2.1
71.04965	5.1
71.08237	4.1
71.08611	70.6
78.86897	2.1
79.05052	2.9
79.05476	53.0
81.03405	18.6
81.07037	64.5
83.04952	13.0
83.08603	33.7
84.75227	2.6
85.06494	2.5
91.05447	29.9
92.08998	18.1
93.07024	54.0
95.04946	17.3
95.08588	29.7
97.06494	5.6
97.10144	36.1
99.08081	39.4
105.07005	29.7
107.08583	40.9
109.06513	4.1
109.10142	20.3
111.08073	5.3
113.11827	2.7
115.53816	2.5
117.07001	10.2
117.19802	2.0
119.08595	20.7
119.68609	2.6
121.10111	14.2
121.60598	2.1
125.09614	21.8
129.07025	3.6
133.10104	13.5
135.08067	3.2
135.11653	14.8
145.10117	5.0
147.11658	2.9
149.13248	4.4
151.11153	44.0
161.13190	13.5
163.11122	17.9
165.12698	5.0
167.33479	2.1
171.11589	3.5
173.13306	2.6
179.14317	9.6
189.11220	15.4
202.70148	2.3
221.15327	2.4
241.19135	2.6
247.57277	2.7
259.20593	5.6
277.21545	55.6
295.22638	4.9
300.48981	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	295.2265
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00286	2.1
53.03925	7.7
54.81982	1.6
55.01864	3.8
55.05505	56.8
57.03429	13.6
57.07054	8.3
59.04976	1.7
67.05489	100.0
69.03402	8.4
69.07055	36.3
71.04956	6.5
71.08607	30.3
79.05473	50.3
81.03385	10.6
81.07036	72.3
83.04962	15.7
83.08603	23.8
85.06535	2.3
91.05462	33.4
91.16154	1.6
92.08622	3.0
93.07018	51.7
95.04932	14.1
95.08582	37.2
97.06496	10.0
97.10138	27.0
99.08079	16.1
105.07018	27.2
107.08582	32.2
109.06503	7.5
109.10152	23.2
111.08057	6.4
117.06995	2.5
118.52374	1.6
119.08576	18.9
121.10104	8.5
123.07980	2.6
123.11636	6.1
125.09583	16.2
129.06932	2.3
131.08559	2.3
133.10069	13.2
135.08026	3.8
135.11670	3.9
137.09579	2.1
143.08466	2.4
145.10069	7.8
147.11629	7.8
149.13287	3.2
151.11166	20.8
153.12700	1.6
161.13234	8.5
162.92946	1.6
163.11121	9.6
175.14670	2.0
179.14290	6.2
185.13231	2.1
189.11169	12.2
241.19537	3.3
259.20535	6.0
277.21555	40.9
295.22543	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03927	27.1
55.05506	41.3
57.07068	8.6
67.05495	85.0
69.03377	4.5
69.07057	59.1
79.05482	46.9
81.03395	100.0
81.07040	69.0
81.95091	5.0
83.04978	13.5
83.08604	8.7
91.05455	34.9
93.07022	45.2
95.04966	49.8
95.08595	25.3
97.10157	7.2
105.06995	32.0
107.08543	22.7
108.84769	5.8
109.10151	7.3
109.23227	4.9
119.08509	12.6
121.88086	5.7
123.11650	7.9
133.10164	20.0
135.07982	5.6
151.11145	33.7
160.60254	5.8
161.13210	6.9
165.12714	6.9
184.95174	6.1
277.21542	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.58146	1.8
53.00303	3.3
53.03943	4.8
54.01397	2.0
54.82062	2.6
55.01863	11.5
55.05503	46.5
57.03422	4.3
57.07067	10.0
58.05748	2.0
67.05137	4.4
67.05492	96.5
69.07047	32.1
71.04975	3.8
71.08242	4.5
71.08616	79.9
79.05476	84.7
80.14973	2.4
81.03395	16.2
81.07039	87.4
83.04971	26.1
83.08601	15.4
85.06512	3.3
91.05467	53.6
92.08723	3.1
92.09194	4.6
93.07027	98.4
95.04948	25.8
95.08582	65.2
97.06498	19.0
97.10165	9.2
99.08072	33.3
105.07021	32.5
107.04959	11.4
107.08578	50.3
109.06484	9.6
109.10148	23.0
117.06994	4.8
119.08572	24.6
121.10127	41.1
123.11733	3.4
131.08533	4.0
133.10126	18.7
135.11674	49.1
145.10114	3.1
147.11702	3.1
149.13264	9.3
151.11165	25.4
161.13217	18.6
163.11160	11.5
177.12598	3.4
179.14278	100.0
189.12711	4.5
235.16994	2.6
259.20679	3.0
277.21585	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.4
55.05235	0.5
55.05504	12.6
57.48662	0.3
58.51165	0.4
66.88284	0.3
67.05489	3.4
68.65620	0.3
69.07053	3.1
79.05485	3.2
81.07018	4.0
83.04924	0.4
83.08586	2.7
91.05476	3.4
93.07027	6.4
95.04939	0.6
95.08585	3.5
97.10113	1.8
103.11781	0.4
105.06983	3.5
107.04957	0.5
107.08572	5.6
109.10162	4.8
115.05392	0.7
117.07004	2.7
119.08543	2.4
121.10141	3.5
123.11708	0.5
128.06169	1.6
129.06993	4.9
131.08543	7.5
133.06503	0.5
133.10103	1.6
133.81075	0.5
135.11691	3.8
141.06970	3.9
142.07813	1.0
143.08539	6.6
145.06503	0.9
145.10121	3.9
147.08009	0.9
147.11549	0.5
149.13225	0.5
153.06984	1.7
154.07777	1.6
155.08531	16.2
156.09277	0.9
157.10106	4.7
159.08005	2.8
159.11626	0.8
161.09633	0.8
161.13187	0.6
163.14850	0.5
165.06966	3.4
166.07687	1.8
167.08504	5.1
168.09283	4.0
169.10101	12.5
170.10878	0.5
171.08003	2.1
171.11684	3.1
173.09569	4.3
178.07764	5.5
179.08505	2.6
180.09296	3.6
181.10062	5.0
182.10887	3.5
183.08037	2.2
183.11653	13.6
184.08865	0.7
185.09576	2.0
185.13213	4.5
187.11154	1.0
191.08536	1.9
192.09306	9.5
193.10092	12.9
194.10844	0.6
195.11644	8.7
195.13289	0.7
196.08759	3.5
197.09624	2.9
197.13228	10.2
198.10384	1.0
199.11150	2.3
205.10133	0.6
206.10860	3.4
206.21562	0.5
207.11664	11.7
208.12471	0.6
209.13300	2.7
210.10336	4.5
211.11148	8.5
211.14737	3.1
213.12720	7.3
219.11726	0.6
221.13315	4.9
223.11209	0.6
223.14810	0.9
224.11897	0.6
225.12688	10.8
225.16295	0.7
227.14345	1.0
233.13176	1.0
235.14693	0.5
235.19467	0.5
237.16434	0.5
239.14278	7.5
239.17912	0.5
247.14526	0.5
248.15428	0.4
251.14230	2.6
251.17940	0.8
253.15860	0.8
253.19421	1.8
266.16592	0.9
267.17197	0.6
267.20804	0.4
277.19412	0.9
280.18167	3.0
295.20517	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	295.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30658	0.7
51.71603	0.7
55.05499	1.4
57.03407	0.7
65.03933	0.7
67.05483	8.0
68.47255	0.8
69.03370	1.0
71.04975	5.7
79.05463	11.8
81.07037	100.0
85.06541	7.8
86.83706	0.7
87.92292	0.8
89.46230	0.9
91.05452	6.0
92.88100	0.9
93.07015	5.4
95.04977	0.8
95.08558	5.3
105.06995	12.4
107.08587	6.6
109.10177	1.6
112.50438	0.8
116.74691	0.8
117.06999	1.2
119.08570	6.2
128.06131	1.1
129.06947	6.9
131.08537	7.8
133.10092	3.6
135.11691	0.8
141.06950	3.3
142.07788	8.1
143.08542	6.0
145.10095	6.6
147.11591	0.9
153.06912	1.1
155.08522	12.1
156.09322	1.3
157.10103	18.2
159.11653	6.0
165.06985	1.1
167.08498	3.6
168.09293	4.0
169.10074	6.3
171.11647	4.8
173.13199	1.2
175.11206	1.3
181.10066	7.7
182.10849	3.4
183.11674	19.2
185.13235	1.7
192.09322	1.8
193.10089	1.6
195.11679	13.0
196.12389	3.2
197.13211	12.5
201.12740	3.5
205.10054	0.8
207.11642	1.6
208.12463	1.5
209.13196	8.6
211.14774	5.3
219.11633	1.3
221.13260	9.8
223.14740	3.3
225.16286	5.5
233.13208	3.3
234.13989	4.4
235.14844	6.2
237.16400	11.2
247.14642	1.0
248.15498	1.9
249.16307	1.8
251.17906	9.5
252.18698	9.6
253.15694	1.0
253.19478	7.1
262.17105	2.1
277.19461	13.7
295.20499	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05791	0.2
51.70087	0.2
53.03919	0.4
54.81850	0.2
55.01857	1.0
55.05494	0.3
57.03433	2.2
57.04533	1.0
58.99504	0.1
61.02910	3.3
67.05459	0.2
69.03410	7.0
69.07050	4.3
71.04943	0.7
73.02886	1.0
74.85509	0.2
76.56437	0.2
79.85853	0.2
81.03391	2.1
85.02883	23.5
86.09663	0.3
87.04430	1.2
87.08087	1.5
90.54136	0.2
91.03922	1.1
94.04015	3.6
94.83130	0.2
96.05602	0.3
97.02865	6.4
99.04411	0.8
103.03903	0.4
105.01247	0.2
109.02852	1.5
109.05053	0.2
112.05071	0.2
115.03905	0.9
121.05106	0.3
123.06644	1.9
125.53028	0.2
127.03896	3.3
133.05032	1.5
135.04402	0.3
135.05414	0.4
145.04929	3.9
148.06093	0.3
150.07716	100.0
163.05989	0.4
176.05736	0.3
181.04915	0.9
255.32478	0.2
289.95490	0.2
295.11407	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05791	0.2
51.70087	0.2
53.03919	0.4
54.81850	0.2
55.01857	1.0
55.05494	0.3
57.03433	2.2
57.04533	1.0
58.99504	0.1
61.02910	3.3
67.05459	0.2
69.03410	7.0
69.07050	4.3
71.04943	0.7
73.02886	1.0
74.85509	0.2
76.56437	0.2
79.85853	0.2
81.03391	2.1
85.02883	23.5
86.09663	0.3
87.04430	1.2
87.08087	1.5
90.54136	0.2
91.03922	1.1
94.04015	3.6
94.83130	0.2
96.05602	0.3
97.02865	6.4
99.04411	0.8
103.03903	0.4
105.01247	0.2
109.02852	1.5
109.05053	0.2
112.05071	0.2
115.03905	0.9
121.05106	0.3
123.06644	1.9
125.53028	0.2
127.03896	3.3
133.05032	1.5
135.04402	0.3
135.05414	0.4
145.04929	3.9
148.06093	0.3
150.07716	100.0
163.05989	0.4
176.05736	0.3
181.04915	0.9
255.32478	0.2
289.95490	0.2
295.11407	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.52111	0.1
54.77114	0.2
55.01865	0.7
55.05498	0.4
56.63626	0.1
57.03428	2.3
57.04540	1.1
61.02920	2.4
67.05497	0.2
67.41779	0.2
69.03413	5.6
69.07055	3.1
70.90970	0.2
71.01334	0.2
71.04967	0.3
73.02888	1.1
81.03396	1.7
85.02888	18.4
87.04443	1.0
87.08090	1.3
91.03925	0.8
92.32894	0.2
94.04014	3.1
96.05608	0.3
97.02866	5.5
99.04438	0.8
108.04316	0.2
109.02872	2.0
112.05080	0.4
115.03922	0.8
119.03526	0.4
123.06647	2.2
127.03878	2.3
133.05037	1.5
135.05363	0.4
145.04922	3.4
148.06172	0.4
150.07727	100.0
163.05977	0.3
176.05632	0.3
181.04903	0.9
184.91965	0.2
185.06064	0.2
219.76884	0.2
257.97556	0.2
268.34549	0.2
295.11441	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.00312	0.6
53.03932	2.2
55.01861	2.6
55.05506	0.9
57.03428	23.7
59.04972	2.7
61.02908	3.3
67.05499	0.9
69.03413	100.0
71.01325	2.6
71.04971	3.0
73.02894	5.1
75.04459	0.9
79.05460	2.1
81.02936	0.8
81.03396	18.6
81.07019	0.7
83.01315	1.2
83.04959	3.8
85.02886	57.9
87.04446	29.9
87.04982	1.2
91.05449	0.6
92.08949	3.5
95.04373	0.5
95.04961	3.0
97.02866	48.4
98.07316	0.5
99.04429	11.8
103.03920	10.9
104.42869	0.6
107.04940	1.1
109.02861	3.6
110.20534	0.5
111.04426	3.5
113.02328	2.0
115.03905	26.6
117.05418	0.6
121.02840	0.8
123.04417	5.2
125.02300	0.8
127.03872	11.5
133.04938	27.2
139.03862	1.2
145.04939	17.6
147.04460	0.6
149.05951	0.8
151.03899	3.0
157.04973	1.1
161.04424	2.5
165.05403	1.0
169.04924	5.8
181.04945	0.7
187.06003	2.2
199.06122	0.5
205.07030	0.8
211.06082	1.0
223.05870	0.8
229.07002	1.2
241.07022	3.8
259.08102	4.1
276.18427	0.6
277.09116	5.9
295.10126	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.00301	1.0
53.03932	2.4
55.01854	5.7
57.03426	31.7
59.04978	2.6
61.02909	8.9
67.05444	1.0
69.03414	95.0
69.07054	11.0
71.01341	2.1
71.04976	2.0
73.02893	6.2
75.04460	2.5
81.03395	14.5
83.27594	0.9
84.52817	1.0
85.02886	100.0
87.04451	29.5
91.03952	2.3
91.05432	1.3
92.08672	1.3
95.04943	2.4
97.02862	51.0
99.04417	10.7
100.44159	1.3
103.03909	4.3
103.27983	1.1
104.20084	1.2
109.02875	9.3
111.04374	1.3
115.03895	29.3
123.04389	2.3
127.03880	14.6
133.04947	25.9
145.04927	20.0
151.03868	2.3
153.05466	1.5
202.58600	1.1
239.33582	1.2
241.06895	1.4
259.08310	1.2
262.88162	1.1
277.09186	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	295.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
55.05494	1.0
57.03426	32.8
59.04990	6.8
61.02909	4.4
69.03410	100.0
71.01314	2.0
73.02904	6.9
75.04450	4.3
79.05494	0.9
81.03391	12.4
83.04961	1.2
85.02882	60.2
87.04441	37.0
91.91494	1.0
97.02866	51.9
99.04445	9.1
103.03916	7.7
109.02868	3.4
111.04398	3.4
115.03905	32.8
123.04391	1.8
127.03841	6.4
133.04948	27.6
139.03831	0.9
145.04942	9.4
151.03864	1.8
169.04932	1.7
223.05864	1.2
241.07018	1.3
277.09259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.2
53.03939	1.3
54.88432	0.8
55.01862	1.9
55.05495	1.7
56.85320	0.8
57.03139	1.2
57.03428	35.9
59.04972	5.4
61.02890	1.7
65.39447	0.8
65.60105	0.8
67.37859	1.0
69.03416	100.0
71.01329	1.0
71.04967	1.7
73.02887	5.5
75.04456	1.6
81.03397	14.3
85.02888	62.8
87.03935	2.0
87.04450	40.1
92.09015	5.2
97.02870	54.2
99.04426	6.6
103.03909	5.4
109.02868	3.5
111.04388	1.4
113.02310	0.9
115.03909	37.8
123.04427	1.8
125.49092	1.0
127.03890	10.4
133.04932	36.0
139.03894	1.3
143.03320	1.0
145.04976	13.4
151.03862	1.2
169.04904	2.1
197.64294	1.0
259.08133	1.2
263.90323	1.1
267.00916	0.9
277.09171	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	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.00293	0.7
53.03926	2.4
54.08437	0.5
55.01852	2.5
55.05502	12.6
57.03429	34.1
57.87594	0.7
59.04997	5.5
59.59700	0.6
59.84015	0.6
61.02902	3.7
67.05490	1.2
69.03413	100.0
69.07043	1.5
71.01331	1.6
71.04964	1.2
71.51160	0.5
73.02895	4.7
73.79553	0.7
75.04456	4.7
75.51368	0.5
78.70301	0.5
79.05434	0.6
81.03396	11.0
83.01321	0.8
83.04935	2.6
85.02886	64.0
87.04446	40.9
95.04922	3.3
95.29897	0.6
96.04445	1.1
97.02868	53.1
97.10143	10.6
98.06027	1.0
99.04429	6.6
103.03911	3.9
107.04912	0.8
109.02845	3.7
109.06451	0.6
111.04414	1.5
112.07584	1.1
115.03909	35.5
115.11153	0.9
122.06015	0.9
123.04405	3.5
123.06750	0.9
124.07554	6.8
126.09113	3.6
127.03867	7.5
133.04941	29.2
133.12202	0.9
136.07529	3.3
138.09113	21.8
139.03806	1.0
140.07109	4.7
145.04944	10.4
146.10550	0.7
150.07716	8.2
151.03857	1.4
152.07059	5.8
161.04405	1.1
169.04897	2.8
229.07065	0.7
241.06978	1.1
259.07990	1.1
259.14383	6.4
277.09079	3.7
277.15408	0.7
295.16577	0.7
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
53.03922	1.2
55.01857	1.4
57.03429	31.6
57.03708	1.1
59.04987	5.7
61.02918	2.0
61.41759	1.0
67.05509	1.1
69.03416	100.0
71.01318	1.1
71.04971	1.5
73.02898	5.8
75.04456	5.4
77.01759	0.8
81.03394	11.0
83.04975	1.8
84.46990	0.9
85.02889	64.8
87.04449	37.1
92.09277	1.9
95.04955	1.9
97.02872	51.8
98.59207	0.9
99.04436	8.2
100.34940	1.0
103.03941	6.4
109.02862	1.8
111.04462	1.8
115.03904	28.9
123.04409	2.2
127.03897	9.1
127.04688	0.9
133.04936	29.0
135.04398	2.2
145.04959	8.6
156.21738	0.9
157.44147	1.1
163.03925	2.0
169.04916	4.1
200.36206	1.0
229.07153	1.1
241.07187	1.3
277.09116	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.00298	1.5
53.03926	1.2
55.01868	2.9
55.05495	1.0
57.03429	34.6
59.04990	6.9
61.02906	3.6
67.05476	1.1
69.03416	100.0
69.07066	1.6
71.01347	1.0
71.04974	3.5
71.09987	0.7
72.90529	0.6
73.02898	5.6
74.37856	0.7
74.41491	0.6
75.04445	4.4
79.05495	2.5
81.03401	17.2
83.01312	1.2
83.04951	3.0
84.08121	0.8
85.02893	58.6
85.06520	1.2
86.06045	0.7
86.09683	3.0
87.03941	1.5
87.04453	36.9
87.04982	1.4
87.46977	0.6
88.51142	0.8
91.05424	1.7
95.04935	1.3
97.02872	50.4
97.06505	1.3
98.97601	1.0
99.04434	7.5
102.25114	0.7
103.03929	5.1
109.02846	3.2
111.04423	1.3
113.06000	0.8
115.03916	31.6
115.07591	0.8
117.05479	0.8
123.04382	3.4
127.03878	7.0
133.04944	34.4
135.04391	1.4
141.05478	1.2
145.04951	10.6
151.03908	1.2
161.05898	0.9
169.05063	2.0
230.13731	1.3
231.14253	0.8
241.07053	0.8
259.08185	1.5
276.14377	0.8
277.09143	3.8
277.14828	1.2
295.07071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44789	0.1
53.03939	0.2
55.05508	0.2
57.07069	1.5
66.04707	0.2
67.05492	0.4
71.08607	1.2
72.35986	0.2
78.04760	0.2
79.05467	1.0
80.05775	0.2
81.07034	0.9
83.84461	0.2
85.93532	0.2
88.07626	0.2
91.05458	1.0
93.07040	0.2
94.04169	2.6
95.04928	0.2
107.04926	0.2
109.06476	0.2
122.03624	10.1
134.86215	0.2
137.05959	100.0
138.06351	0.3
141.12694	1.5
149.68205	0.2
158.15378	1.0
294.20743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.33167	0.2
53.17517	0.2
54.81555	0.2
55.05501	0.2
55.56400	0.2
57.07061	0.4
57.61441	0.2
59.04232	0.2
63.87915	0.2
66.04697	0.2
67.05482	0.9
69.07034	0.2
69.30453	0.2
71.08633	0.3
71.51470	0.2
79.05466	0.8
80.05797	0.3
81.07037	2.2
91.05464	0.9
92.09275	0.4
94.04178	2.4
107.04965	0.3
107.08575	0.7
110.38995	0.2
110.60732	0.2
122.03626	8.8
123.11685	1.2
137.05957	100.0
143.47052	0.2
158.15366	1.1
170.14139	0.2
170.15306	1.5
276.20438	0.3
294.20828	0.3
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
55.01863	1.6
55.05506	38.2
55.06737	1.9
57.07064	28.8
62.56015	1.4
67.05489	35.6
69.07053	74.8
71.04977	2.1
71.08598	9.4
75.94239	1.5
79.05476	12.6
81.07037	98.4
83.08606	42.9
85.06514	9.8
91.05450	7.4
92.09013	4.0
92.63653	1.7
93.07018	34.9
95.08583	100.0
97.06509	7.3
97.10144	21.6
99.08052	8.1
101.05996	3.9
105.06989	3.0
107.08572	43.0
109.10147	67.9
110.41531	1.6
111.08067	7.8
111.11679	8.0
112.01573	1.6
113.09599	2.3
121.10123	23.2
123.11684	37.5
125.09633	2.9
125.13203	3.0
135.11650	10.3
137.13231	16.7
149.13232	23.5
151.14755	3.2
160.20888	1.7
161.53920	2.2
163.14754	8.2
165.16360	1.6
167.14297	6.8
177.16322	1.9
193.19501	2.0
203.71986	1.7
275.27313	7.9
293.13809	2.0
293.28299	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	293.211
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03935	1.0
55.01851	3.5
55.05500	4.7
57.07067	28.0
65.03923	0.6
67.05497	5.5
68.99751	1.0
69.07040	2.6
71.01329	0.9
71.08596	4.3
79.05462	5.6
81.03390	1.6
81.07043	5.6
83.04967	7.9
83.08594	1.5
83.14280	0.5
85.02851	0.8
91.05451	3.6
93.07001	4.1
95.04937	8.3
95.08608	2.4
95.91508	0.7
97.06509	1.5
99.08070	1.6
105.06999	2.5
107.04932	5.6
107.08590	5.8
108.05687	1.4
109.02856	4.1
109.06532	2.2
109.10116	0.6
111.04434	16.7
111.08075	1.3
119.08563	1.5
121.06481	10.7
121.10125	1.5
125.02349	1.0
125.05969	5.1
129.05447	1.3
135.04370	3.5
135.08002	1.0
137.02292	0.9
139.03923	1.0
145.10094	1.1
149.09618	3.0
151.11142	3.8
153.05460	10.2
155.03403	1.3
157.70354	0.7
163.03825	3.9
163.11145	3.7
165.12720	3.7
167.10631	0.7
177.09149	1.0
177.12672	1.0
181.04921	14.5
181.12201	2.7
191.10626	12.2
193.08585	1.0
195.10126	7.2
209.11691	24.3
219.10150	4.0
237.11179	37.6
237.14723	1.2
251.71371	0.7
275.19995	1.3
293.17834	3.5
293.21045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.38439	1.6
53.03926	2.9
55.01651	1.9
55.01867	23.7
55.05509	46.6
57.03433	2.6
57.07045	2.3
59.04966	1.6
65.03925	2.5
67.05495	40.9
67.45418	1.9
69.03420	3.2
69.07053	34.2
79.05480	69.2
79.54119	1.9
81.03394	8.7
81.07042	40.6
83.04961	3.2
83.08586	14.8
85.06551	2.2
91.05466	55.5
91.06013	4.0
93.07030	32.9
95.04949	9.8
95.08586	19.0
95.14516	2.3
97.06519	18.0
97.10164	23.1
105.07016	54.7
107.04936	13.3
107.08582	100.0
109.06511	3.6
109.10131	9.3
117.06987	14.0
119.08569	25.5
121.06493	3.2
121.10119	11.7
123.08035	7.4
125.09628	10.2
131.08554	9.1
133.06398	2.0
133.10112	23.3
135.11665	2.2
137.05952	3.8
137.09555	3.8
145.10097	15.6
147.11662	11.6
149.09625	16.1
151.11240	2.9
159.11684	5.0
161.13243	3.4
163.11160	2.6
165.09091	3.2
189.11142	7.8
229.19453	2.3
257.18988	4.8
275.20004	55.9
292.28018	2.4
293.21057	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	2.6
55.01857	10.3
55.05505	78.1
57.03428	4.5
57.07068	2.8
57.51626	1.6
67.05497	70.4
67.08830	1.9
69.03421	8.9
69.07054	31.1
70.86921	2.0
71.04973	2.6
74.94862	2.1
76.16832	2.2
77.67725	2.4
79.05474	95.5
80.98553	2.2
81.03393	4.8
81.07051	51.5
83.04987	4.6
83.08611	20.3
91.05463	52.3
93.07019	50.9
95.04942	20.2
95.08591	35.6
97.06505	12.6
97.10161	25.8
102.72092	2.2
105.07019	62.2
107.04930	8.9
107.08583	100.0
109.06527	11.2
109.10165	21.1
111.08074	2.3
117.06997	14.8
119.08564	24.6
121.10108	19.5
125.09599	10.1
129.07018	2.4
131.08551	13.4
133.10092	19.2
135.08029	3.4
135.11679	10.5
137.09621	10.8
139.11211	2.9
140.29446	2.4
143.08556	2.3
145.10083	14.6
147.11711	15.8
147.54440	2.2
149.09631	14.2
156.21039	2.2
157.10091	2.4
159.11690	4.9
161.13297	3.2
163.11166	3.0
171.11586	2.5
189.11172	8.2
201.12671	2.7
239.17902	3.5
247.08580	2.4
257.19092	4.4
275.20004	43.8
293.21118	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	2.0
55.01878	8.8
55.05501	61.1
55.54917	1.2
57.07078	1.2
59.73206	1.1
65.03944	1.9
67.05489	36.8
69.03451	1.7
69.07052	9.5
71.04986	2.2
79.05470	100.0
81.03403	2.2
81.07027	26.6
83.04959	28.4
83.08589	10.5
88.09917	1.2
88.72447	1.2
91.05456	36.2
91.05991	1.6
93.07021	48.2
93.07558	2.2
95.04945	11.5
95.08588	11.2
97.10145	16.2
105.06999	35.7
107.04932	41.5
107.08570	41.1
109.06487	1.8
109.10135	10.7
111.08053	2.4
115.05450	1.3
117.06979	11.5
119.08560	20.2
120.08527	1.3
121.06472	2.6
121.10109	14.1
125.09616	11.9
131.08572	10.5
133.10110	13.2
135.08075	5.0
143.08565	1.6
145.10156	7.2
147.11720	6.5
149.09598	40.6
153.09113	1.7
156.78987	1.4
159.11739	6.7
161.13319	1.7
163.11124	1.6
169.12233	2.4
173.13300	2.1
189.11162	3.1
197.34106	1.3
209.15372	2.9
229.19551	2.1
233.15494	1.5
247.20596	2.1
257.18973	6.8
274.84058	1.5
275.19968	33.2
290.12888	1.6
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
50.94980	1.0
51.08872	0.9
53.00296	1.2
53.03946	2.3
55.01863	9.9
55.05504	30.8
57.03412	3.0
57.07056	6.5
65.03919	1.8
66.46167	1.1
67.05491	54.5
69.03397	1.7
69.07052	50.9
70.55100	1.1
71.04962	2.0
71.08620	1.4
72.50668	1.2
79.05473	42.0
80.40540	1.1
81.03386	1.8
81.07039	62.6
83.04968	15.5
83.08596	8.7
85.06531	1.6
91.05463	39.4
93.07021	47.6
95.04960	16.9
95.08582	36.5
97.06512	6.9
97.10159	2.8
103.61600	1.2
105.07014	50.5
107.04936	15.2
107.08577	28.4
109.06500	24.1
109.10145	20.4
111.08028	1.8
117.06984	16.3
119.08550	33.4
121.06474	20.5
121.10102	14.5
123.08013	10.6
123.11685	5.5
129.06966	6.5
131.08545	26.3
133.06471	5.6
133.10121	31.4
135.08026	5.8
135.11687	8.0
137.09589	5.9
139.07600	1.4
143.08539	2.7
145.06476	2.4
145.10080	19.3
147.08067	5.1
147.11673	19.7
149.09584	7.8
149.13214	3.0
151.11171	8.7
155.08488	1.4
157.10074	2.8
159.11644	13.2
161.09618	5.3
161.13248	2.8
163.11140	7.5
163.14769	1.4
165.12856	1.4
169.10109	1.6
173.13194	10.3
175.11133	3.0
177.12671	1.9
183.11752	1.4
191.14249	1.8
194.54741	1.2
194.58580	1.2
201.12753	1.5
207.13843	1.7
219.13731	9.2
239.17975	1.5
247.20528	2.1
251.12906	1.2
257.18890	14.8
258.50626	1.5
275.19986	100.0
293.21072	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.2
55.01860	9.9
55.05504	83.7
57.03428	3.2
59.04990	2.5
65.03923	4.6
67.05492	86.3
69.03399	3.5
69.07052	30.3
71.04956	4.1
79.05471	89.8
79.47943	2.0
81.03397	4.5
81.06591	3.7
81.07031	64.9
83.04947	4.3
83.08601	26.6
91.05461	81.8
93.06490	3.1
93.07026	58.0
95.04953	23.0
95.08582	52.2
97.06512	8.9
97.10146	32.8
103.97507	2.1
105.06351	4.4
105.07012	77.4
105.07724	3.3
107.04939	10.3
107.08578	100.0
109.06481	9.8
109.10140	29.8
111.08042	2.2
113.00873	2.5
115.05426	2.6
117.06985	17.7
119.08559	39.7
121.10118	23.7
123.08014	4.2
125.09600	17.1
129.06969	9.8
131.08571	28.3
133.10112	37.9
135.08092	3.4
135.11655	10.2
137.09601	8.9
139.11121	4.4
141.06981	2.7
145.10110	19.7
147.11665	12.8
149.02313	5.7
149.09575	17.2
159.11658	11.7
161.13231	8.4
163.11157	4.2
171.11617	3.0
173.13158	3.1
175.11057	2.8
182.86897	3.0
183.11563	3.9
189.11218	5.4
220.82573	2.5
223.13185	3.7
239.17921	2.6
247.80733	2.2
254.39774	2.3
254.98900	2.7
257.18866	11.0
275.20029	45.6
293.21161	21.8
294.08380	2.2
307.43903	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01870	14.1
55.05499	36.4
56.96559	5.7
59.83216	3.4
65.06926	2.8
67.05489	40.4
69.07049	32.6
71.19781	3.0
79.05476	69.9
81.03402	3.7
81.07036	46.5
82.16386	3.5
83.04963	6.7
83.08607	14.3
91.05455	50.9
93.07031	34.8
95.04945	12.9
95.08572	24.7
96.45087	3.4
97.06531	5.8
97.10180	18.2
105.07011	44.8
107.04961	13.3
107.08571	100.0
109.06509	17.6
109.10163	8.0
116.98635	3.4
117.07020	14.9
119.08555	26.4
121.10157	14.2
125.09632	7.0
129.06955	3.3
131.08568	18.8
133.10126	23.6
135.08105	4.2
135.11690	5.4
145.10167	19.4
147.11722	19.3
149.09581	7.9
151.11169	3.3
159.11687	7.0
163.56654	3.5
164.97151	3.7
189.11176	5.2
207.00302	3.5
257.18951	4.6
275.20004	53.1
293.21185	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.62918	3.4
52.39047	3.7
53.03937	16.4
55.01865	63.5
55.05506	46.4
56.96552	6.5
57.03431	3.5
58.16352	4.1
64.33125	3.8
67.05489	75.7
69.07053	85.6
70.39228	3.4
71.67187	3.9
79.05468	94.2
80.84981	4.0
81.03387	29.5
81.07031	88.0
83.04955	23.6
83.08599	20.0
84.55693	4.5
91.05463	59.2
93.07020	76.2
95.04944	17.2
95.08588	51.8
97.05125	3.8
97.06503	40.7
97.10150	8.5
105.07021	65.8
107.04906	30.5
107.08584	91.3
109.06503	7.2
109.10136	16.1
117.07004	22.2
119.08574	41.0
120.57356	4.0
121.06496	8.3
121.10127	21.6
123.08058	7.2
125.09621	5.4
131.08545	25.0
133.10120	30.6
134.49496	4.0
134.99620	3.9
135.07942	5.4
135.11688	16.1
137.09631	5.3
145.10117	21.4
147.11652	17.8
149.09602	31.9
157.10204	4.9
159.11700	15.7
161.13248	4.5
163.11113	7.9
165.09053	4.3
171.11682	4.7
173.13332	4.8
179.63658	4.0
197.13055	5.1
247.20729	8.2
252.31538	4.4
257.18927	7.3
275.19986	100.0
293.21033	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62940	2.4
67.69067	2.1
68.21693	2.3
111.55309	2.3
134.66025	2.1
242.33575	3.0
293.06268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58840	2.0
55.01859	3.3
55.05499	14.5
57.03404	2.3
57.59291	1.8
66.44318	1.8
67.05493	19.4
68.38634	2.5
69.07049	12.2
74.13203	1.9
74.51593	2.2
79.05479	24.4
80.30833	1.9
80.31441	2.3
81.07039	21.5
83.04978	4.4
83.08598	4.3
91.05449	25.3
93.07025	18.0
95.04924	2.4
95.08567	16.0
97.06525	3.6
97.10154	4.6
101.23613	1.8
103.05444	2.1
105.07001	27.0
107.04919	2.7
107.08566	34.5
109.06534	3.3
109.10146	2.7
110.39443	2.0
117.06998	4.8
119.08566	16.7
119.27926	2.0
121.06484	2.3
121.10113	9.7
123.08062	3.0
123.09220	1.9
123.11758	2.2
129.06937	3.4
131.08569	14.8
133.06438	2.6
133.10086	12.3
142.07776	8.6
143.08548	13.0
145.10138	9.6
147.11627	3.7
149.09618	4.9
154.07686	2.6
155.08484	9.6
157.10098	28.5
159.11638	9.3
167.08583	3.5
169.10147	12.3
171.11636	8.8
173.09593	3.2
179.08496	5.4
181.10065	11.5
183.11636	4.3
185.09526	3.4
185.13208	5.0
187.11119	2.9
193.10124	10.1
194.10947	3.2
195.11732	11.9
199.11137	2.5
204.09302	2.1
205.10176	3.4
207.11728	8.4
209.09624	2.2
209.13182	4.5
219.11617	9.7
220.12549	2.5
221.15302	2.8
223.11215	3.6
233.13351	4.4
235.14758	12.9
237.12810	15.4
245.13193	2.7
249.12743	2.9
249.16225	4.3
251.17952	3.0
260.15582	2.9
263.14130	3.3
275.17700	9.0
275.20096	11.2
278.16489	3.3
293.18918	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
50.34252	1.7
54.87546	1.8
55.01849	2.3
55.05501	22.5
57.07076	4.0
59.04989	4.5
60.01945	2.2
67.05491	11.7
69.03411	4.7
69.07059	4.3
71.04962	10.8
79.05479	25.8
79.05871	2.6
81.07021	18.6
83.04968	3.6
83.08605	22.9
84.25836	2.3
91.05452	13.7
93.07028	19.7
95.04942	10.5
95.08586	32.9
97.06525	8.7
99.56096	2.1
102.64044	2.4
105.07004	23.4
107.04939	43.3
107.08559	18.3
109.06503	11.0
109.10098	3.9
111.08070	43.6
113.09595	2.7
115.02447	4.0
117.06981	3.0
119.08537	24.2
121.06516	2.7
121.10114	15.9
123.08042	50.4
129.06961	4.6
131.08540	14.7
133.03453	12.9
133.06476	3.8
133.10078	18.5
135.08008	8.1
135.11710	2.2
145.03416	20.0
145.10106	10.1
146.03705	2.4
147.11650	10.1
149.09624	11.8
151.07532	100.0
157.10103	9.0
159.07959	3.2
159.11623	2.7
161.09569	2.9
161.13245	7.7
168.05022	8.3
171.05017	9.3
171.11624	4.2
173.13229	9.6
175.11176	9.8
189.12738	21.0
191.14294	28.8
197.11693	8.9
204.39767	2.2
207.13776	53.9
215.89105	2.1
231.17490	2.5
233.15323	66.1
273.18527	5.0
291.19446	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	3.0
53.10926	1.6
53.53330	1.4
55.01872	17.2
55.05504	77.1
57.03424	2.9
59.34173	1.6
65.03897	2.0
66.50938	1.8
67.05492	39.3
67.59554	1.6
69.03407	10.4
69.07052	18.7
71.04956	3.0
78.40458	1.8
79.05475	80.4
81.03390	2.7
81.07038	75.6
83.04970	8.9
83.08596	26.0
91.05463	100.0
92.09391	5.6
93.07022	35.4
95.04951	23.2
95.08587	19.3
95.30243	1.9
97.06515	3.1
97.10145	32.2
103.05447	2.4
105.03355	3.9
105.07009	39.4
107.04942	23.2
107.08576	24.9
109.10149	8.9
115.05424	3.6
117.06996	42.2
119.04912	3.5
119.08554	88.9
121.06485	17.0
121.10126	4.5
123.08080	2.4
125.09603	17.2
128.06212	4.1
129.06952	13.2
130.07758	2.3
131.08534	26.2
132.05670	2.3
133.06477	10.3
133.10106	10.1
135.08054	12.3
143.08531	12.7
145.06485	4.2
145.10106	24.6
147.08008	39.7
147.11644	2.6
149.09561	3.1
157.06512	2.0
157.10104	11.5
159.05019	2.1
159.08067	2.7
159.11633	4.0
161.09610	7.7
163.11110	3.3
171.05051	4.2
171.11658	2.5
181.10129	3.0
183.11632	2.1
185.13144	3.7
189.11183	9.0
223.13292	2.6
227.17865	3.0
249.14818	3.8
255.17401	3.4
273.18433	60.0
291.19376	44.0
291.64908	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.67915	2.1
55.05500	11.7
56.96579	2.5
57.07074	6.2
59.04993	2.6
62.22216	2.3
67.05490	14.5
69.07049	5.3
70.06579	14.0
71.04996	5.6
73.41830	2.5
77.03867	2.2
79.05482	12.6
81.07043	12.1
83.04948	3.5
83.08589	6.2
85.06561	3.5
88.07600	10.9
91.05479	18.2
92.08847	10.1
93.06998	21.8
95.04951	5.3
95.08598	24.2
97.06526	3.5
102.09164	6.0
105.04469	2.8
105.07012	24.8
107.04947	5.2
107.08572	20.3
109.06491	14.9
109.10168	4.1
111.08070	25.0
116.75542	2.5
117.07032	5.9
119.08563	25.9
121.10142	10.7
123.08041	44.8
131.08527	20.7
133.06453	4.0
133.10107	18.3
135.08063	12.1
135.11681	2.6
137.09604	6.1
143.08563	12.0
145.10085	27.6
147.08006	3.3
147.11688	16.2
149.09590	3.8
151.07513	100.0
156.09308	3.9
157.10120	12.0
159.11688	12.2
161.09639	3.0
161.13196	3.2
163.11134	4.3
171.11674	5.4
173.13210	6.0
175.11211	5.1
189.12695	33.7
191.14253	6.1
197.11694	5.7
197.13351	2.9
207.13763	56.4
215.14186	9.5
228.23160	6.1
229.23534	10.9
233.15298	16.5
273.18393	15.7
290.26770	19.7
291.19421	32.9
291.27142	14.7
314.50238	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80549	0.2
55.01875	0.6
55.05497	0.8
56.96550	0.8
57.03395	0.3
58.06599	0.4
61.01136	20.3
66.56126	0.3
67.05489	2.2
69.03409	0.8
69.07047	1.8
71.04975	1.5
71.38908	0.3
76.40005	0.3
79.05473	0.6
81.03421	0.4
81.07035	2.4
83.08617	2.6
84.04490	0.4
84.08126	100.0
85.02898	0.6
85.06525	0.6
86.09699	0.6
91.05458	2.2
93.07014	1.6
95.04942	0.4
95.08573	0.6
97.02843	0.5
97.06519	0.5
98.97554	2.9
105.07000	0.6
107.08572	0.6
111.08070	2.1
114.89667	0.4
116.98587	1.6
119.04906	0.6
121.06465	0.6
129.09100	1.8
131.08539	0.8
132.08401	70.4
132.32701	0.4
133.10089	1.8
134.33189	0.3
135.07965	0.6
147.04430	2.4
157.07532	2.5
159.11644	1.5
161.01190	0.5
173.13339	0.4
177.12675	0.5
195.13734	0.6
198.11279	0.5
199.12291	3.6
201.12715	0.5
203.08141	1.5
214.77882	0.4
215.13853	0.6
219.13779	0.4
227.11646	0.4
237.14784	0.5
245.12732	1.9
255.15767	0.7
273.12265	12.6
273.16776	0.4
291.13333	5.4
291.17255	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	291.1071
Annotation	Osmundalin
Peak:m/z	Relative Intensity
50.08990	0.3
53.03931	0.3
53.47826	0.4
53.50940	0.3
55.01858	0.5
55.05496	0.8
57.03425	13.6
59.05016	0.4
60.76207	0.3
61.02914	3.4
69.03416	6.6
71.04961	0.5
73.02870	0.5
78.48666	0.3
81.03411	2.6
83.04964	4.9
85.02888	14.8
85.64543	0.4
87.04439	2.4
97.02853	4.6
99.04395	0.4
101.05991	13.6
109.02847	0.9
109.66436	0.3
111.04421	4.7
127.03889	0.8
129.05447	100.0
145.04977	0.4
276.95599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04764	0.8
56.05027	19.8
57.06811	0.9
57.07064	15.4
58.06592	8.8
60.04501	3.3
61.30720	0.6
68.05013	0.8
71.08609	6.8
74.05650	1.1
74.06057	18.5
74.99039	0.6
79.24796	0.6
82.51354	0.7
83.40990	0.9
85.10162	1.4
85.28916	0.7
86.06050	1.2
88.07610	75.7
92.09402	0.8
106.99622	0.7
112.36764	0.8
118.08643	11.2
122.08091	4.2
143.90102	0.8
144.36551	0.9
177.11978	0.8
228.23172	1.3
242.24727	67.9
272.25803	1.6
290.26822	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	291.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01859	1.0
55.05498	1.7
56.17423	0.2
56.96534	0.3
57.03430	13.9
61.02691	0.2
61.02916	3.1
62.46401	0.2
66.61458	0.2
69.03067	0.4
69.03418	6.7
70.50799	0.3
71.04974	1.2
73.02891	1.0
81.03400	2.5
83.04969	5.5
84.49927	0.2
85.02895	16.0
87.04462	2.1
87.30016	0.2
89.56182	0.2
91.03899	0.5
91.05453	0.3
92.08865	1.2
97.02878	5.3
98.97556	0.4
99.04419	0.5
101.06001	13.3
109.02853	1.5
111.04441	3.7
111.08041	0.5
116.98589	0.3
123.21255	0.2
127.03870	2.3
129.05458	100.0
142.64996	0.3
145.04947	0.6
161.01233	0.3
173.13010	0.3
176.54353	0.3
177.00711	0.3
181.59007	0.3
205.54797	0.3
206.29420	0.3
219.93817	0.3
291.09396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21504	2.5
53.03937	2.6
55.05500	45.2
57.07056	6.2
59.04715	3.8
59.04987	78.4
59.30616	2.6
60.38754	2.5
62.84407	2.9
67.05478	15.6
67.33868	2.6
69.07041	7.2
79.05461	15.3
79.71132	2.6
81.07018	15.3
85.06525	100.0
91.05457	19.7
92.08797	13.4
93.07011	49.3
94.15397	2.9
95.04947	11.7
95.08596	48.3
99.08061	17.6
101.87216	3.2
105.07007	18.6
105.42181	3.0
107.08561	15.7
109.10139	5.4
111.08048	6.4
117.07008	4.2
119.08578	25.1
125.09605	43.1
129.06956	13.3
131.08521	29.8
133.10051	21.1
135.08075	3.4
138.44385	3.6
142.07773	20.9
143.08554	12.3
144.09312	3.3
145.10089	15.5
147.11665	13.0
153.07019	3.2
155.08511	4.9
156.09286	5.6
157.10109	37.1
158.10907	16.3
159.11598	22.8
161.09503	3.2
168.09348	4.6
169.10063	16.1
171.11598	14.5
173.13214	40.0
183.11650	29.5
187.11218	3.7
189.12750	3.1
191.14243	4.2
195.11694	3.5
197.13205	14.3
199.14700	6.2
209.13193	6.2
211.46478	3.1
233.15253	4.4
239.17844	17.9
257.18936	6.7
259.16821	4.8
271.20462	6.6
277.21069	2.9
289.21561	46.3
293.77621	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	289.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	42.6
57.07048	5.1
59.04998	46.3
62.14784	4.4
62.21162	5.5
65.08215	4.2
67.05482	11.6
69.07049	8.1
79.05476	6.4
81.07024	19.6
85.06537	100.0
91.05458	27.3
92.09334	12.8
93.07021	27.0
95.04928	5.6
95.08573	35.1
99.08051	8.1
105.07008	21.3
106.53106	4.7
117.06972	6.0
119.08559	10.9
125.09612	25.5
131.08531	24.5
132.18776	4.9
133.10091	5.6
142.07755	9.5
143.08533	9.8
145.10071	5.8
157.10118	18.2
158.10898	6.4
159.11684	19.1
167.08394	5.0
171.11658	7.0
173.13219	23.7
183.11656	22.4
197.13252	8.6
233.15225	5.1
289.21472	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80049	3.3
51.89800	3.6
54.62046	3.4
54.81798	4.7
55.05501	58.3
57.07068	8.7
59.04988	69.0
67.05485	22.1
69.07042	16.9
72.72258	4.4
79.05457	9.1
81.07024	16.5
85.06519	100.0
91.05450	35.1
92.81248	3.6
93.07014	57.9
95.04966	8.6
95.08562	45.2
99.08064	7.9
100.73182	4.0
105.07019	27.2
107.08601	16.8
111.08092	6.2
117.06965	8.8
119.08542	28.5
121.10136	5.2
125.09592	39.9
128.06206	4.3
129.06956	7.6
131.08531	30.4
133.10094	21.3
140.85329	4.1
142.07751	19.3
143.08519	18.3
144.09264	5.4
145.10121	23.8
149.49352	4.2
155.08533	6.9
156.09325	5.9
157.10072	32.7
158.10799	4.9
159.11685	26.2
167.08565	6.1
168.09320	9.2
169.10147	16.0
171.11620	10.4
173.13245	31.5
183.11647	31.3
189.06889	4.1
189.12730	6.5
194.93918	4.1
195.11658	8.4
197.13182	5.8
199.14864	8.9
209.13148	6.5
211.14990	4.8
213.16406	4.3
217.15981	4.9
239.17926	17.8
241.15878	4.8
251.43207	5.2
257.18964	8.2
261.63007	4.1
289.21497	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03929	0.5
55.01868	0.4
55.56363	0.2
57.03426	0.5
57.07055	0.3
61.02915	1.2
61.47412	0.3
63.68874	0.2
64.45915	0.3
69.03416	2.5
70.06554	0.4
71.04956	0.5
72.08144	0.4
72.96853	0.2
73.02909	0.5
73.93999	0.3
78.61814	0.3
81.03402	1.3
84.08125	0.3
85.02895	6.1
86.09692	0.7
91.05443	0.3
94.48389	0.2
97.02862	2.3
100.66180	0.3
102.65627	0.3
109.02884	1.2
109.06502	0.5
116.85339	0.3
127.03892	100.0
191.08177	0.3
194.08284	0.3
216.77150	0.3
250.63812	0.3
275.62067	0.3
289.12134	0.7
299.49811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40920	0.3
53.00301	0.3
54.81303	0.4
55.05490	0.4
57.07069	15.9
58.06583	0.8
60.04498	0.3
62.06066	0.8
67.05486	1.7
70.06203	0.7
70.06579	20.3
71.08620	7.0
81.07024	1.7
85.10160	1.8
86.55614	0.3
88.07613	27.7
92.08852	0.4
92.61430	0.3
99.08111	0.4
102.09153	6.1
106.08654	17.7
114.23244	0.4
226.25247	0.7
244.26341	0.8
270.27823	8.2
282.53064	0.4
288.28912	100.0
289.29385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0914
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03933	18.4
55.01863	6.9
57.03428	6.3
61.02907	1.0
67.05518	0.9
68.02623	1.2
69.03412	18.9
70.06567	1.2
71.01340	2.1
71.04966	10.7
71.50276	0.9
73.02894	1.3
79.05467	1.1
81.03394	41.6
81.04512	14.6
81.07037	1.2
83.04973	1.3
85.02879	20.3
91.05441	1.3
95.04948	1.4
97.02864	21.4
99.04431	25.5
103.03934	1.1
106.11400	0.8
109.02860	55.9
111.04436	4.1
123.04372	3.7
125.02314	1.6
127.03896	100.0
127.05002	20.7
145.04935	1.2
148.77487	0.9
151.03888	1.5
162.15886	0.9
163.03764	1.3
169.04704	1.0
181.04941	1.4
184.13774	0.8
223.05984	1.6
253.06976	1.4
254.18198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2365
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03946	2.8
55.05497	20.6
57.07061	9.5
59.04992	2.7
63.64442	2.0
67.05497	23.1
68.94498	2.3
69.03422	3.0
69.07055	31.1
71.04978	21.1
71.16763	2.3
76.57567	2.0
79.05471	23.4
81.07037	58.7
83.08606	3.4
85.06549	2.5
91.04974	2.6
91.05456	26.7
92.07703	2.4
92.09138	17.5
93.07021	50.4
95.04942	4.6
95.08005	4.1
95.08582	69.4
97.06480	3.5
105.07012	99.7
105.56917	2.5
107.08578	61.3
108.84203	2.4
109.06512	3.4
109.10148	39.3
114.02348	2.2
117.06978	12.0
119.08557	100.0
121.10123	34.1
123.11683	9.2
127.11159	5.7
130.07791	3.4
130.52980	2.6
131.08551	32.5
133.10123	48.7
135.11642	10.7
142.07729	3.1
143.08508	17.5
144.09325	3.9
145.10109	72.0
147.11682	57.7
149.13255	5.4
156.09274	3.0
157.10150	28.7
159.11665	63.3
161.13246	12.6
163.11139	2.3
171.11629	17.8
173.13181	26.0
175.14789	4.8
185.13280	19.2
187.14815	4.4
189.16318	3.7
199.14809	13.5
201.16342	87.3
213.16364	14.1
215.18089	3.4
227.17926	4.4
269.18628	2.9
269.22577	22.1
287.05515	4.3
287.23630	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	287.2213
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.53064	1.0
55.01860	11.3
55.05504	48.4
57.03413	5.8
57.07064	2.3
57.87630	1.0
59.04975	1.1
62.22505	1.0
63.44417	1.0
67.05141	2.0
67.05491	59.3
67.05847	2.8
69.03400	1.7
69.07052	68.9
71.04971	8.2
72.20506	1.4
73.06524	1.4
79.05470	37.2
81.07037	94.2
83.04959	12.5
83.08132	1.8
83.08604	33.7
85.06522	4.9
91.05448	16.5
92.08839	8.5
93.07024	66.1
95.04946	2.3
95.08583	100.0
97.06516	15.4
97.10155	13.4
101.06003	2.3
105.07001	9.7
106.82770	1.2
107.08575	24.7
109.06541	1.9
109.10139	46.3
111.08055	6.7
111.11732	4.8
112.95850	1.2
117.06984	1.5
119.08577	10.8
120.27639	1.2
121.10119	39.0
123.08006	1.8
123.11649	10.8
131.08531	8.6
133.10112	10.9
135.11673	13.0
137.13229	1.9
139.11145	16.9
145.10129	8.3
145.88477	1.1
147.04298	1.2
147.11728	4.6
149.09557	1.5
149.13229	5.1
151.11197	2.3
156.50125	1.3
159.11635	8.8
161.13190	1.6
167.14308	1.7
173.13274	2.7
178.49303	1.4
187.13196	2.7
188.82098	1.6
201.14661	1.3
203.12711	1.9
205.19402	1.6
215.17961	10.2
233.18933	21.4
239.30737	1.2
251.19998	88.6
257.67294	1.5
269.21100	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05498	2.3
65.03942	1.0
67.05502	8.9
68.05003	2.9
68.56335	0.5
69.03420	2.3
69.07059	19.4
70.06561	0.6
73.36731	0.4
79.05475	4.3
80.04985	2.8
81.07031	2.9
81.22665	0.5
81.68883	0.4
83.04952	0.6
84.08115	0.6
84.93179	0.5
85.59344	0.5
86.85693	0.5
91.05460	2.5
92.08813	1.1
92.09309	0.6
93.05766	1.1
93.07025	3.8
94.06551	51.0
95.04951	7.8
95.08625	0.7
97.06503	2.8
98.06020	0.6
104.04956	0.9
105.04510	0.5
105.07007	3.0
107.08558	0.9
110.06041	2.2
112.07596	7.1
117.06980	0.8
118.06528	17.9
119.07301	4.7
119.08562	1.1
120.08083	7.2
122.06013	100.0
123.04426	3.8
123.06340	0.5
128.07074	0.6
131.08559	2.5
140.07054	75.7
142.07626	0.6
145.10158	1.2
146.06006	4.9
147.06790	4.1
148.07561	96.4
157.10139	0.9
159.11650	3.6
164.07036	0.7
171.11760	0.7
173.13306	0.6
196.11223	0.5
199.09976	0.6
214.12279	1.1
226.12413	0.8
241.13358	0.7
242.11748	5.7
243.14935	3.0
251.17986	0.6
269.12711	3.7
269.18970	0.6
270.11130	4.9
287.13828	13.7
287.19897	3.7
305.15048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37005	0.2
52.31076	0.3
53.03924	0.3
53.53762	0.3
54.81659	0.3
55.05499	0.8
61.66826	0.3
64.33186	0.3
64.73910	0.3
65.03919	0.7
67.05485	6.6
68.05013	3.1
69.03426	0.7
69.07051	18.0
70.02906	0.3
70.06586	0.3
71.89333	0.3
79.05468	2.5
80.04997	4.2
84.08103	1.2
91.05447	0.4
93.05769	1.5
93.07027	1.4
93.73315	0.3
94.06542	56.9
95.04942	7.6
96.04475	1.6
97.06512	2.1
98.06036	0.8
104.05023	1.0
105.04514	0.4
106.06587	0.5
110.06038	0.7
112.03970	0.4
112.07576	7.8
118.06507	0.6
119.07299	1.6
120.08088	5.5
122.06001	100.0
123.04404	4.3
140.07039	68.0
146.05959	1.3
148.07547	90.3
157.72638	0.4
159.11681	0.4
185.07080	1.2
192.08224	0.4
213.06497	0.6
242.11513	0.5
258.30649	0.3
270.11304	0.7
287.10638	0.6
287.13815	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	287.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.8
55.05506	0.8
56.96540	0.7
57.03418	1.1
64.07777	0.6
67.05497	5.0
69.03404	1.5
69.07055	100.0
79.05461	1.6
81.07061	1.2
85.02893	1.8
85.06518	0.9
85.90606	0.7
91.05424	0.9
92.09349	1.4
93.07017	3.0
94.06546	24.3
95.04933	2.9
95.08562	1.4
96.04462	1.4
97.06533	0.9
98.97575	3.0
101.51655	0.8
105.07008	1.4
107.08602	1.0
110.06026	1.0
112.07586	17.3
118.06507	1.0
119.07262	1.6
119.08572	1.0
120.08057	4.3
121.06420	0.8
122.06004	35.7
131.08507	1.2
140.07042	97.1
142.12233	0.7
146.06004	8.1
148.07550	68.9
169.08781	1.0
174.05510	1.2
209.08423	0.9
226.12270	1.4
242.11624	3.4
251.65080	0.8
257.57974	0.7
269.12753	9.8
269.18735	1.3
270.11090	1.3
287.13812	8.8
287.19827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1388
Annotation	Pilosine
Peak:m/z	Relative Intensity
55.05518	0.7
63.23306	0.6
66.04700	0.6
67.05499	2.4
68.78323	0.6
69.07053	31.6
79.05473	3.6
80.05019	1.5
81.07043	1.3
91.05479	6.0
92.08671	0.9
93.05768	2.8
93.07043	1.4
94.06549	18.3
95.04966	0.9
104.04958	4.3
105.07021	1.5
107.04971	0.8
110.97601	0.6
112.07584	0.8
115.26169	0.6
116.04964	2.4
117.05785	0.6
118.06521	100.0
119.07304	21.6
120.08083	5.1
121.06557	0.6
122.06004	26.4
122.06844	1.3
123.06778	0.9
124.07552	1.3
131.08545	1.1
134.05995	1.0
140.05978	1.2
140.07053	32.3
140.08113	1.4
146.05991	17.3
147.06775	31.3
148.07561	31.6
164.06979	4.5
169.04959	0.8
174.05537	0.7
180.07988	0.7
181.08762	1.5
185.10838	0.7
195.10229	0.7
196.11192	1.5
198.11275	1.1
198.12817	2.7
206.09682	0.6
211.08565	0.9
213.10349	0.9
213.13855	4.1
224.10628	3.0
224.15375	0.6
225.10233	3.9
226.10927	5.5
239.11700	1.1
240.12575	2.3
241.13309	12.8
242.11850	0.8
251.11719	2.8
252.10226	1.3
254.10419	1.2
269.12802	60.3
287.13852	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	286.3101
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05490	0.8
55.28955	0.5
57.07067	25.6
58.06578	2.9
58.79756	0.5
61.84602	0.4
62.06076	11.9
69.07050	2.4
71.08611	8.9
72.04494	0.9
85.10166	4.0
97.10165	0.6
109.10133	1.0
114.05564	0.5
114.26813	0.5
122.57022	0.5
127.11179	0.5
240.23145	2.0
268.22601	1.1
268.29965	7.0
286.30981	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	287.0543
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.00275	0.2
53.03926	0.2
54.65804	0.2
58.97791	0.3
59.32937	0.3
67.01863	0.5
67.05492	0.3
68.99765	3.2
69.03407	0.3
74.45033	0.3
79.05458	1.6
81.03389	0.4
81.07032	1.1
82.41270	0.3
91.05457	0.5
93.07023	0.5
95.04913	0.3
95.08583	0.5
97.06493	0.3
103.05442	0.3
105.03377	1.5
107.04949	2.0
107.08584	0.3
109.02847	0.5
111.00784	2.1
111.04419	0.5
113.32607	0.3
115.05433	0.3
116.84740	0.3
117.06994	0.4
121.02842	10.7
121.03741	0.4
123.07978	0.3
127.03904	0.4
129.06958	0.5
131.08499	0.3
133.02856	1.2
135.08044	0.3
137.02328	3.1
145.06485	0.7
145.10135	0.3
147.04422	2.1
149.29868	0.3
153.01810	17.1
157.06427	2.3
165.01791	5.3
171.04338	1.3
183.02856	2.0
185.05971	1.7
197.05916	0.5
203.06914	0.4
213.05409	4.8
216.04033	0.4
229.04904	0.5
231.06439	2.0
241.04794	2.1
258.05191	5.0
259.05963	1.7
287.05438	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	285.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62198	4.8
55.05500	29.2
57.07061	9.2
67.05481	26.3
69.07056	65.1
70.97081	6.8
71.04974	5.8
79.05447	21.9
81.07023	37.2
83.08627	7.5
91.05453	28.2
93.06998	35.1
95.04987	6.3
95.08585	43.3
97.06494	8.7
105.07018	93.0
107.08599	44.1
109.06489	22.7
109.10137	32.9
117.06970	12.8
119.08562	100.0
121.10127	13.2
123.11623	9.4
131.08545	14.4
133.10092	57.9
135.11664	7.0
145.10027	8.2
146.63457	6.2
147.11658	24.4
153.65208	6.4
161.09625	56.9
169.10060	8.2
175.14815	48.1
263.69385	6.0
305.59293	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	286.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
53.73000	1.1
55.93871	1.0
57.03429	2.8
58.30121	1.0
59.04769	1.0
59.04997	16.0
61.02908	5.1
69.03421	9.6
69.58833	1.2
71.04979	72.8
81.03384	2.4
85.02888	29.7
85.06512	2.5
87.04444	7.0
89.06015	100.0
97.02897	8.5
106.06513	2.5
107.07057	75.1
109.02885	2.6
114.37567	1.5
124.07549	6.1
124.25220	1.4
125.04699	1.2
140.66312	1.2
145.63635	1.2
150.05486	1.2
156.06587	4.7
240.12210	4.6
250.10699	2.3
286.12790	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03929	2.6
55.01839	2.2
55.05500	20.1
56.89981	1.3
57.03428	32.9
57.07051	2.9
67.05486	25.6
69.03394	7.0
69.07041	6.3
69.38107	1.1
71.04968	7.9
71.08579	1.1
71.68164	1.2
79.05464	23.7
81.03396	100.0
81.07034	37.9
83.04967	12.2
83.08603	23.3
85.02419	2.2
85.02889	46.4
85.06517	2.9
91.05457	34.8
93.07015	21.4
95.04936	33.5
95.08589	16.0
97.02872	1.9
97.06509	5.7
97.10129	2.5
99.04456	1.5
104.17978	1.4
105.07015	25.3
106.51235	1.3
107.04924	9.6
107.08585	9.9
109.06493	6.8
109.10130	6.1
111.08056	8.5
113.05940	2.3
115.05399	1.7
117.06990	1.7
119.08555	21.7
121.10139	13.4
123.08044	2.4
128.04240	1.4
129.06979	10.0
131.08542	11.0
133.06442	2.6
133.10083	8.0
137.09570	2.3
140.04669	1.3
142.07748	2.3
145.10081	5.4
147.08047	1.6
147.11639	12.6
149.09566	5.2
157.10086	14.4
161.13274	1.4
165.12653	2.0
175.11143	13.9
193.12207	43.7
211.13216	23.1
256.54791	1.4
267.15793	10.8
285.16879	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
53.95070	1.3
55.01852	6.8
55.05503	34.2
56.96544	1.7
57.03424	63.9
57.07046	1.9
59.04966	1.9
63.46481	1.3
67.05490	52.3
69.03400	6.6
69.07043	17.5
71.04968	10.9
71.08607	1.7
79.05053	2.4
79.05473	46.9
81.03397	100.0
81.07035	59.8
83.04955	22.7
83.08604	31.6
85.02884	84.5
85.06499	3.6
91.05465	56.0
93.07018	37.1
95.04943	44.8
95.08579	23.8
97.02868	3.7
97.06493	9.0
97.10167	2.1
98.97545	2.2
99.08082	1.9
105.04566	1.7
105.07011	51.7
107.04958	11.4
107.08606	12.3
109.06489	11.9
109.10127	7.8
111.04435	2.4
111.08054	10.0
113.05962	2.9
115.05496	1.9
117.06954	2.6
119.08556	32.4
121.06436	2.7
121.10129	16.6
123.08031	5.9
123.11676	2.3
129.06985	20.5
131.08513	17.0
133.06468	5.9
133.10094	16.5
137.05957	2.1
142.07721	2.5
145.10080	3.7
147.08008	1.8
147.11688	24.5
149.09621	10.9
157.10097	18.6
161.06004	2.2
165.06964	7.1
165.12738	3.1
175.11156	18.3
182.07275	2.8
193.06445	7.4
193.12175	50.2
210.06633	7.0
211.13257	35.8
221.05939	7.1
225.09024	13.2
253.08632	12.4
267.15878	8.0
285.11682	3.0
285.16876	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3308
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
54.25211	0.5
55.05500	0.7
57.07066	10.5
58.06582	3.3
60.08152	35.0
60.72815	0.5
61.20546	0.6
69.07022	0.7
71.08623	6.0
76.56052	0.5
85.10165	2.2
89.73259	0.6
92.08877	2.6
209.67230	0.6
254.38007	0.5
254.59605	0.6
284.33060	100.0
293.48480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81451	1.2
55.05502	3.2
55.84393	1.1
56.96557	46.6
57.07064	5.4
62.19679	1.7
64.24547	1.3
68.18413	1.2
69.07045	3.1
71.08619	2.1
77.27576	1.2
81.07050	1.4
83.08601	2.4
132.84904	1.5
169.01688	2.0
187.02815	5.7
191.00009	2.2
193.01770	5.0
195.03267	7.9
209.01212	2.0
211.02757	19.4
213.04332	30.8
223.55568	1.2
229.03929	3.1
231.05391	6.3
239.02222	37.8
257.03271	100.0
262.03815	5.5
265.67807	1.4
272.37286	1.3
275.04282	2.3
280.04922	6.4
284.29382	6.2
285.29953	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	284.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01860	0.5
55.52907	0.3
55.57380	0.4
57.03165	0.3
57.03423	2.6
57.07057	0.9
59.04987	18.3
61.02910	3.2
66.81442	0.3
69.03409	11.7
70.06570	0.4
71.04982	1.8
73.02898	1.6
81.03396	8.1
85.02885	25.6
85.06519	2.0
87.04447	100.0
91.03930	0.9
92.09004	0.5
97.02864	15.7
99.04400	2.8
105.05482	27.3
109.02855	4.9
110.03556	0.4
127.03883	11.8
135.03059	0.4
145.04927	9.8
152.05643	13.2
153.04057	1.5
163.05948	0.7
172.44774	0.4
213.07576	0.5
231.08539	5.5
249.09656	3.9
256.65311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.68754	0.1
53.03930	0.3
54.81282	0.1
55.01851	0.8
56.62020	0.1
57.03424	1.3
57.07050	0.2
59.04987	4.0
60.40855	0.1
61.02904	1.2
69.03069	0.2
69.03414	3.4
71.04965	0.3
73.02890	0.8
81.03400	1.9
85.02888	11.3
87.04452	5.4
87.05329	0.2
91.03931	0.6
92.08698	0.2
97.02260	0.2
97.02871	4.4
97.74553	0.2
99.04422	0.3
100.64745	0.1
100.83092	0.1
105.05475	2.2
107.67706	0.1
109.02862	1.5
109.05098	0.6
110.03516	2.4
127.03888	4.0
128.04546	1.6
134.04596	0.3
135.03003	6.3
145.04933	4.1
152.05649	100.0
153.04048	10.5
163.06026	1.6
224.14055	0.2
227.46794	0.1
231.08643	0.9
242.62502	0.1
249.09621	1.2
267.10629	0.2
267.13763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33207	0.9
54.37667	0.8
54.81704	0.8
55.01849	5.6
55.05504	9.7
57.03431	9.0
57.07063	2.6
59.04980	1.0
64.57370	0.9
67.05479	10.1
69.03400	6.4
69.07053	8.0
71.05005	1.4
77.96124	1.0
79.05473	11.2
81.03371	4.3
81.07038	18.2
83.01328	1.8
83.04964	7.9
83.08595	7.3
85.02879	4.5
91.05437	7.2
92.08736	1.7
92.09248	1.4
93.07019	15.7
93.79790	1.0
95.04935	6.6
95.08591	15.5
97.06482	2.3
97.10145	4.1
99.04464	1.2
105.06989	7.3
107.04925	2.2
107.08598	8.3
107.09225	1.3
109.06469	1.2
109.10120	6.9
111.04433	4.4
117.07028	3.6
119.08540	4.3
121.02840	51.2
121.03804	2.0
121.10119	7.3
123.08068	1.3
123.11636	1.1
131.08507	2.2
133.10075	2.3
135.11646	7.0
139.03831	1.6
145.10110	7.9
147.11612	1.8
149.13208	1.6
153.12714	5.7
159.11703	4.5
163.11150	4.0
171.11641	1.4
173.13275	1.3
181.81400	1.0
187.14742	1.9
191.10643	1.4
199.14676	1.0
227.12740	1.9
233.11452	4.1
283.11679	8.0
283.15082	100.0
283.24088	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	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01857	3.3
57.03431	5.4
57.07065	0.7
61.02917	11.6
67.05483	2.9
69.03416	21.4
71.04965	3.4
72.02086	0.6
73.02905	5.0
74.29463	0.5
75.54112	0.6
80.57265	0.6
81.03403	9.4
85.02893	100.0
85.06533	17.3
85.31629	0.6
86.72647	0.6
87.04446	3.8
91.03931	4.8
92.08739	0.7
93.06956	0.7
97.02875	20.1
99.04441	4.3
103.03934	1.0
109.02854	6.8
127.03899	18.0
145.04939	27.7
152.06818	3.1
153.07079	1.0
163.06001	9.4
180.08638	0.9
229.10617	4.9
232.85504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74562	0.6
52.05534	0.5
54.81713	0.6
56.96317	0.7
56.96559	14.0
63.82438	0.6
65.92981	0.6
71.35931	0.5
71.95238	1.0
76.56405	0.7
77.07523	0.7
84.97992	0.6
98.97561	87.6
103.80136	0.6
116.98598	100.0
134.09647	1.3
134.99635	78.5
140.00150	1.0
153.00691	18.4
158.01285	0.7
182.27510	0.6
219.01968	1.4
225.82039	0.7
234.99718	1.0
236.98589	0.8
240.98582	3.2
258.99680	22.6
277.00742	68.5
295.01877	1.1
300.02286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57079	1.0
55.05493	6.9
56.96545	1.1
67.05490	11.6
68.58063	1.1
69.07047	5.0
79.05463	2.8
81.07047	14.7
91.05461	8.1
93.07009	9.3
93.29095	1.2
95.08587	20.6
96.83704	1.1
98.97562	6.1
105.07015	15.2
107.08567	13.5
109.10131	7.1
110.97412	1.1
111.49339	1.2
116.98589	7.7
117.06976	4.7
119.08566	8.2
121.10094	4.4
123.11672	1.3
127.38037	1.2
128.99619	1.3
129.06966	6.1
131.08553	13.5
133.10110	7.5
134.99651	5.1
135.11639	2.1
141.06990	2.3
142.07751	2.7
143.08522	10.2
145.10107	95.4
147.11639	5.3
149.13239	2.1
150.02583	1.6
155.08505	6.7
156.09338	5.1
157.10086	21.2
159.11647	19.2
161.13229	1.2
169.10060	11.0
171.11623	27.8
173.13222	5.4
182.10858	1.6
183.11638	9.2
185.13202	16.3
187.14760	5.8
195.52116	1.1
197.13174	18.3
199.14728	7.8
211.14764	14.5
213.16434	4.2
225.16380	16.7
239.17883	4.7
246.79535	1.3
253.19452	34.3
277.00748	2.1
281.22586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03938	1.2
55.01869	1.3
55.05507	23.2
57.03437	1.2
57.07071	4.5
57.68719	0.7
65.03917	1.9
67.05492	94.5
69.07056	20.5
71.04982	4.5
79.05479	31.3
81.07040	100.0
81.13536	1.0
83.04969	1.7
83.08611	12.1
85.06508	2.2
85.18273	0.8
91.05453	14.5
92.65155	0.8
93.07022	22.1
95.04932	2.1
95.08584	76.6
97.06518	5.4
97.10155	7.0
99.08016	0.9
101.17139	0.9
105.07012	14.0
107.08569	15.6
109.06466	1.4
109.10142	29.4
110.18678	0.9
111.08098	2.1
111.11708	1.0
117.07027	1.0
119.08551	7.8
121.02861	2.1
121.06507	1.2
121.10120	16.4
123.11687	10.7
125.09570	1.2
131.08563	5.7
133.10115	6.8
135.08003	1.9
135.11665	11.5
137.13223	1.4
145.10121	4.9
147.11687	7.6
149.01137	1.9
149.02322	40.5
149.09648	1.3
149.13249	1.9
151.14867	1.0
159.11690	3.4
161.13199	6.5
163.14792	1.8
165.12776	1.9
173.13243	2.3
179.14316	1.7
187.14728	1.6
204.90736	0.9
223.16899	1.1
243.20985	4.2
261.22031	8.7
279.23154	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	279.1702
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.00311	0.4
54.81768	0.5
57.07064	2.2
65.06236	0.5
69.03425	0.6
69.07055	0.9
72.68773	0.6
81.07048	0.7
85.02887	0.9
86.09691	100.0
86.45867	0.5
91.05460	1.2
93.07015	2.5
95.08601	0.8
97.02876	0.9
98.97543	4.3
103.05434	5.6
105.06971	0.5
107.08597	0.7
109.46594	0.5
110.65883	0.5
116.98604	2.4
117.58263	0.4
119.08504	0.6
120.08082	99.5
121.02855	0.7
123.08062	1.0
132.10184	0.8
137.09631	0.6
143.00246	0.6
145.04985	0.5
149.01134	1.0
149.02324	30.5
150.29863	0.5
161.01212	0.7
163.72018	0.5
166.08604	7.0
190.55353	0.5
219.01660	0.5
233.16458	0.9
249.02509	0.6
279.16931	8.3
291.03915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88739	0.5
55.05498	2.4
56.62532	0.5
57.07055	2.1
63.44418	0.4
67.05493	4.1
69.07051	1.0
74.90378	0.5
79.05466	2.4
80.09241	0.5
81.07039	6.8
83.08614	1.0
91.05440	4.3
93.07022	5.7
95.08599	7.5
105.07011	5.9
107.08550	3.8
109.10130	2.2
117.07011	2.9
119.08577	2.0
121.02856	2.1
121.10162	2.1
128.06114	0.8
129.07005	4.6
131.08546	5.7
133.10072	1.0
135.11682	1.0
140.65079	0.6
141.06963	3.6
142.07788	0.9
143.08537	9.0
145.10136	4.1
147.11697	0.6
149.02322	34.2
149.13255	0.7
153.06992	0.6
154.07755	0.8
155.08553	9.4
157.10101	5.8
159.11681	3.3
166.07726	0.7
167.03313	0.5
167.08545	9.2
168.09406	1.2
169.10114	8.8
170.10870	0.6
171.11667	5.3
173.13225	0.9
179.08562	2.1
180.09300	1.3
181.08612	0.9
181.10095	14.6
181.11548	0.8
182.10847	0.8
183.11650	9.2
185.13274	5.7
193.10049	0.7
194.10902	1.1
195.11650	17.7
196.12405	1.0
197.13203	8.1
197.46976	0.6
199.14774	6.7
207.11504	0.6
208.12469	3.4
209.13203	10.4
211.14774	4.0
221.13210	1.0
222.14059	0.7
223.14764	27.4
224.15526	2.6
235.14742	2.1
236.15619	4.0
237.16345	20.2
238.17091	0.8
249.16373	0.7
250.17006	1.2
251.17880	10.5
264.18610	0.7
279.21021	100.0
289.77243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71442	0.4
53.00294	0.8
53.03937	1.0
55.05500	3.5
56.96555	1.1
57.03434	4.0
57.07066	6.7
59.68227	0.4
61.02918	2.3
65.03922	1.2
67.05499	0.5
69.03408	5.3
69.06712	0.8
69.07056	15.5
70.96719	0.5
71.04975	0.6
71.08614	5.7
73.02900	0.8
75.56032	0.5
79.05046	1.0
79.05473	13.5
81.03389	2.2
81.07039	92.9
85.02889	17.2
90.83926	0.6
91.05404	0.6
93.07020	1.9
95.04941	0.8
95.08581	0.6
97.02869	4.6
97.06517	1.0
98.97535	0.8
99.08076	38.3
105.03403	1.2
109.02818	1.1
109.06514	0.7
111.08044	0.5
116.98614	1.1
117.09101	3.4
121.02845	7.8
121.03713	0.6
121.04025	0.6
127.03879	2.4
135.24525	0.5
139.07538	0.8
140.81975	0.5
145.04895	0.5
149.02324	100.0
152.23279	0.5
155.04671	0.5
167.03398	2.0
190.16418	0.5
205.08592	1.9
279.09027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35199	0.3
55.01862	0.3
55.05505	0.3
56.74597	0.2
56.96561	0.6
57.03409	0.4
57.07072	2.4
61.02888	0.4
66.50273	0.2
67.05502	0.4
69.03403	2.8
71.04967	2.9
77.15416	0.3
77.79123	0.3
79.05467	1.2
81.03403	0.4
83.04965	0.8
84.04489	1.5
85.02882	3.1
86.06044	0.6
86.08533	0.3
87.04471	0.4
89.06004	1.9
94.06545	0.6
95.04946	0.7
96.08114	1.7
96.78060	0.3
97.02859	2.8
98.06027	0.4
98.97567	1.7
99.04453	1.6
100.80848	0.3
106.06531	1.8
109.02876	0.4
111.04427	0.6
116.98588	0.6
117.05494	2.3
121.02830	1.9
122.06007	1.7
123.06790	0.8
124.07558	6.9
127.03915	0.5
129.05394	0.6
134.05986	81.9
136.07480	0.3
139.03831	0.4
140.07065	4.6
149.02315	34.6
150.05464	5.2
152.07037	100.0
153.07301	0.3
162.16682	0.3
169.36891	0.3
217.09651	1.7
235.10715	20.5
237.02692	0.4
279.09677	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	278.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69794	0.7
52.79661	0.7
53.03940	0.9
54.82006	1.0
55.01849	2.0
55.05502	9.0
57.03419	2.0
59.04993	10.8
59.55171	0.8
61.02900	1.0
67.05495	20.0
68.63097	0.7
69.03413	2.0
69.07045	9.6
71.04974	27.7
79.05479	21.2
81.03400	25.5
81.07039	28.8
83.04971	11.7
83.08605	10.7
85.02849	0.9
85.06522	4.4
87.04475	3.5
91.05457	29.0
92.08574	0.8
92.64471	0.9
93.07024	21.4
95.04937	15.8
95.08582	9.6
96.77129	0.9
97.06504	10.5
97.10155	1.4
105.07013	24.1
107.04932	3.9
107.08571	22.1
109.06480	4.8
109.10144	1.6
111.04433	1.1
111.08080	4.6
113.05962	1.1
119.08568	17.2
121.06521	1.8
121.10124	15.5
122.01465	1.0
123.08012	1.6
123.11585	1.0
127.07538	1.3
129.07010	10.2
131.08530	19.5
133.06494	1.1
133.10115	26.4
142.07710	1.5
145.10107	1.6
147.08034	3.5
147.11659	17.4
149.02310	6.7
149.09607	26.2
157.10097	18.5
167.10652	3.8
175.11157	20.2
181.85190	1.1
188.69754	0.9
193.12195	36.9
197.15250	3.0
199.13258	3.4
211.13255	100.0
225.14807	8.5
243.15845	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	277.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19875	2.8
53.00301	4.3
55.01865	5.0
55.05510	34.8
56.96548	5.3
57.07062	8.5
57.23300	3.3
57.48209	3.4
59.31081	3.6
63.22099	3.0
63.95796	3.5
67.05498	50.9
69.07047	37.2
71.04989	3.2
71.08601	5.1
79.05474	79.1
81.06670	3.4
81.07046	57.9
83.08615	6.2
85.06512	6.7
91.05466	52.3
93.07021	100.0
95.04925	20.9
95.08587	31.7
97.06523	4.5
105.06996	29.7
107.08571	47.4
109.06477	9.0
109.10155	15.8
112.97193	3.3
119.08578	28.7
121.06528	4.2
121.10143	26.4
123.04418	3.6
123.86750	3.4
131.08580	4.4
133.10091	7.6
135.11690	26.0
143.08591	4.9
144.75655	3.8
145.10066	14.6
147.08032	8.4
147.11671	16.8
149.13217	8.3
151.03862	9.0
161.05962	8.9
161.09592	5.8
162.06694	28.5
175.07561	25.9
180.07758	18.5
193.08589	62.9
213.16310	5.1
217.12218	20.3
235.13234	65.5
241.09103	3.4
241.19403	4.9
257.43469	3.6
259.20520	7.1
277.14285	28.2
277.21564	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.19875	2.8
53.00301	4.3
55.01865	5.0
55.05510	34.8
56.96548	5.3
57.07062	8.5
57.23300	3.3
57.48209	3.4
59.31081	3.6
63.22099	3.0
63.95796	3.5
67.05498	50.9
69.07047	37.2
71.04989	3.2
71.08601	5.1
79.05474	79.1
81.06670	3.4
81.07046	57.9
83.08615	6.2
85.06512	6.7
91.05466	52.3
93.07021	100.0
95.04925	20.9
95.08587	31.7
97.06523	4.5
105.06996	29.7
107.08571	47.4
109.06477	9.0
109.10155	15.8
112.97193	3.3
119.08578	28.7
121.06528	4.2
121.10143	26.4
123.04418	3.6
123.86750	3.4
131.08580	4.4
133.10091	7.6
135.11690	26.0
143.08591	4.9
144.75655	3.8
145.10066	14.6
147.08032	8.4
147.11671	16.8
149.13217	8.3
151.03862	9.0
161.05962	8.9
161.09592	5.8
162.06694	28.5
175.07561	25.9
180.07758	18.5
193.08589	62.9
213.16310	5.1
217.12218	20.3
235.13234	65.5
241.09103	3.4
241.19403	4.9
257.43469	3.6
259.20520	7.1
277.14285	28.2
277.21564	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.15260	2.0
55.05500	16.9
55.10162	2.2
66.65216	2.0
67.05493	30.3
68.46241	2.2
68.46680	2.1
69.07039	10.7
79.05470	58.4
81.07032	24.6
83.08591	5.2
91.05457	33.5
92.08839	9.5
92.09399	2.5
93.07014	100.0
95.04933	9.0
95.08554	16.3
105.07008	9.6
107.08578	35.4
109.10129	11.8
117.07047	2.4
119.08537	5.5
121.10126	21.7
133.10110	4.8
135.11708	21.1
146.12355	2.7
147.04388	4.1
149.13240	5.3
238.67090	2.1
248.39528	2.1
267.85693	2.8
277.21457	34.9
284.29974	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.43303	2.5
53.03936	3.0
55.01857	18.3
55.02088	2.5
55.05505	35.7
56.96542	4.3
57.03423	3.0
57.07058	6.9
57.20536	2.6
67.05205	3.1
67.05497	61.9
69.03428	24.1
69.07044	25.0
71.08604	17.8
76.15237	2.4
79.05472	68.0
81.03391	12.8
81.07035	61.4
83.04943	6.1
83.08595	12.9
85.02869	4.8
85.06485	3.6
91.05460	38.5
93.07022	100.0
95.04942	18.5
95.08585	34.2
97.02844	7.0
97.06498	14.1
97.10144	4.9
99.08060	7.4
100.30727	3.9
105.07012	32.6
107.04972	5.2
107.08568	41.1
109.06479	5.5
109.10121	16.6
111.08036	5.6
117.06983	12.6
119.08534	20.4
121.10110	16.3
123.08011	5.2
123.11651	4.7
131.08549	5.3
133.10106	17.7
135.11674	18.7
137.09546	2.9
143.08566	5.7
145.10130	11.9
147.11644	14.2
149.13258	3.9
151.11156	19.7
157.10124	4.6
161.13223	5.2
163.11133	19.1
163.14708	4.3
165.12688	3.4
178.65187	2.9
185.13167	4.4
259.20468	7.3
275.05698	2.9
277.21573	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	277.0317
Annotation	selenoneine
Peak:m/z	Relative Intensity
56.92194	8.7
70.60734	8.7
77.36803	8.5
88.93034	9.7
90.73309	10.5
92.08701	21.4
92.09256	25.0
97.61372	12.3
142.08589	13.0
277.03094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96323	0.6
56.96556	10.6
57.07053	0.6
71.95222	1.0
76.48499	0.4
79.95314	0.5
98.97559	100.0
101.00846	4.4
116.98596	74.9
117.39555	0.5
118.98176	0.7
118.99015	0.6
119.01898	26.1
120.01932	4.3
121.01653	7.4
134.99635	38.7
137.02945	10.1
138.03038	2.3
139.02660	4.0
142.03499	6.2
143.03651	0.8
144.03236	2.7
153.00674	4.9
160.04512	2.9
162.04318	1.0
177.00902	9.9
178.00989	5.5
178.68024	0.5
179.00682	8.3
180.00812	0.7
187.48044	0.6
219.01949	5.4
220.02005	3.3
221.01765	5.3
222.01889	1.0
230.93149	0.9
232.96710	0.7
234.99756	0.8
236.99651	0.7
238.95631	0.6
240.98618	1.1
245.02020	0.6
250.49287	0.6
250.99223	8.3
251.49222	6.6
251.99057	4.3
256.96564	16.2
257.96661	8.2
258.96353	16.5
258.99692	28.6
259.02405	1.1
259.96307	2.9
261.00082	1.1
261.02979	15.0
262.00272	0.9
262.03088	8.7
262.50052	2.9
262.99973	1.7
263.02737	19.0
264.02878	3.3
272.94269	1.2
274.97623	6.9
275.97693	4.1
276.97479	9.2
277.00723	71.3
277.97488	1.1
278.00787	0.8
279.00873	2.1
283.00031	2.2
283.99997	0.6
284.99704	5.1
285.99799	1.2
290.95190	0.9
294.98291	0.7
295.01688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
51.21536	2.0
54.81781	1.7
55.05507	30.1
57.07048	3.3
60.63220	1.9
67.05483	27.1
69.07043	17.3
70.55272	1.8
71.04964	3.1
71.10177	2.0
72.72365	2.1
79.05463	28.7
81.07042	23.9
83.08617	4.8
88.07617	4.2
91.05452	80.7
91.06001	3.7
91.73233	2.3
93.07013	25.7
95.04978	2.3
95.08569	21.9
96.41850	2.5
97.06458	2.6
100.50556	2.2
103.35860	3.0
105.07010	100.0
107.08559	20.3
109.06468	2.4
109.10162	3.7
112.00414	2.1
117.07022	17.3
119.08559	48.9
121.06470	3.2
121.10117	4.3
129.06917	3.2
131.08517	29.1
133.10098	52.7
135.11670	2.8
139.31985	2.5
141.06860	2.3
143.08537	3.5
145.10085	17.2
147.11641	22.5
149.09599	8.0
155.08549	2.4
157.10167	2.7
159.11649	8.9
161.13199	3.7
173.13263	4.0
183.11597	3.4
197.13213	3.3
226.22913	2.5
239.17918	3.2
257.18936	5.2
274.27332	12.4
275.19986	85.6
275.27631	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.17552	1.2
53.03926	1.4
55.01859	5.8
55.05507	22.5
57.03424	1.3
57.07041	1.6
57.55742	1.3
67.05492	31.7
69.03410	2.1
69.07049	21.2
70.81608	1.6
71.04964	2.6
79.05472	35.3
81.07037	38.8
83.04962	3.5
83.08585	6.2
85.02811	1.4
91.05463	69.9
93.07022	32.9
95.04940	8.3
95.08585	21.4
97.06488	3.0
97.10129	1.3
103.05436	1.8
105.07012	100.0
107.04964	2.1
107.08561	23.9
109.06537	3.0
109.10139	8.0
111.08072	1.7
117.06983	21.5
119.08559	52.5
121.06500	5.8
121.10112	11.5
123.08038	1.8
123.11684	1.8
129.06981	1.9
131.08568	19.8
133.06490	1.9
133.10106	48.6
133.11122	1.6
135.08035	2.1
135.11615	2.2
137.09619	2.1
141.07010	1.9
143.08530	2.1
145.10077	16.5
147.11716	17.5
148.63159	1.4
149.09628	6.7
157.10091	3.2
159.11671	10.4
161.13242	5.7
163.11169	9.0
171.11707	2.3
173.13205	2.7
177.12733	1.7
197.13222	1.9
239.17897	7.3
242.07297	1.4
257.18958	7.7
257.21494	1.7
275.20007	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31484	1.8
53.62007	2.0
60.29951	2.0
63.70848	2.1
67.05491	3.4
69.03429	2.5
90.14245	2.0
92.08969	2.4
93.33059	2.2
94.72462	2.3
97.02869	2.4
101.00854	17.6
119.01891	100.0
121.02837	11.2
127.02397	10.0
137.02930	34.0
143.01898	3.5
145.03441	76.4
157.03458	14.5
161.02933	10.3
163.04503	5.5
169.03426	49.9
171.04988	16.6
175.04533	8.5
185.02930	32.6
187.04497	95.0
189.06111	4.1
195.05009	3.4
197.02953	18.0
197.04477	2.4
203.03952	18.9
205.05545	15.5
211.04547	3.1
215.03838	18.6
221.02919	3.7
225.07603	2.5
229.05513	27.3
239.03986	3.8
247.06544	16.3
257.04974	2.8
264.58368	2.4
271.30957	2.3
275.06079	63.2
293.07059	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	275.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40514	1.4
53.00303	1.5
53.03933	9.4
55.01871	12.3
55.05510	3.8
57.03431	30.3
57.07064	2.1
61.02916	21.6
65.03923	2.4
67.05489	27.9
69.03415	81.8
69.07053	12.5
71.01332	6.8
71.04985	17.8
72.02197	1.6
73.02892	9.5
77.60790	1.6
79.05476	27.5
81.03403	33.1
81.07044	21.5
83.01319	2.3
83.04969	16.9
85.02888	100.0
85.06504	2.8
86.65165	1.6
87.04466	6.4
91.03932	3.1
91.05469	14.1
91.06326	1.5
93.07030	9.7
95.01338	2.8
95.04945	51.1
95.08578	7.5
97.02867	43.7
97.06507	43.8
99.04436	8.6
103.03915	8.2
103.05449	2.2
105.07026	8.2
107.04928	9.7
107.08567	3.1
109.02852	18.1
109.06511	18.2
109.10156	1.9
111.04422	35.0
111.08119	1.6
113.05989	21.4
117.07008	3.5
119.04885	2.5
119.08546	2.2
121.06483	7.0
123.04414	12.7
123.08002	3.7
125.05962	3.8
127.03905	15.6
133.06491	3.2
135.04378	3.8
137.05943	14.0
137.09502	1.6
145.04909	10.3
146.51830	1.6
147.04428	1.7
147.08125	1.9
149.05930	2.6
149.13234	1.9
151.07532	8.3
153.05428	2.1
155.07062	2.7
163.07481	2.5
165.05470	3.7
167.07021	2.8
175.07497	1.9
179.07005	6.4
191.06987	2.4
193.08650	1.7
195.06494	3.0
209.08046	2.0
213.07558	5.8
239.09061	3.7
257.10123	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	275.0369
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
56.96558	5.7
57.03418	5.2
57.45043	3.7
63.44070	3.9
63.97068	3.6
64.97591	3.3
66.72717	4.7
67.05482	18.6
69.03406	8.9
69.07046	8.0
70.06598	4.1
71.04965	7.3
73.66643	3.9
80.63710	3.4
81.03398	5.1
83.04961	8.5
84.04523	5.1
85.02869	33.4
86.09686	79.3
87.10007	5.1
87.30103	3.8
87.89452	4.5
89.82579	4.1
95.04963	8.6
97.02850	7.7
97.06490	5.9
98.97546	27.7
101.00880	5.0
107.04900	6.8
111.04417	5.4
112.07577	16.4
113.05987	17.1
116.98563	25.6
119.01891	39.6
125.18012	3.7
125.55553	3.8
130.08493	4.7
132.95860	5.5
134.99635	16.6
137.02814	6.2
137.05907	6.8
143.01920	6.0
145.03441	19.1
148.07550	15.7
150.96855	16.1
157.03386	3.9
157.13361	8.1
161.02908	8.8
167.02010	5.3
171.70929	4.0
185.02892	18.0
185.12825	8.5
194.08180	4.6
203.03961	16.5
214.33598	5.0
215.04012	4.6
224.74222	4.1
257.00122	5.4
257.02664	83.3
274.97357	7.0
275.03665	100.0
275.10931	43.8
292.98444	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	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.05498	1.0
57.07057	0.3
67.01849	2.5
67.05472	1.2
68.99767	1.9
69.03403	1.4
69.07052	1.2
71.40806	0.2
79.05466	0.7
81.07025	1.8
83.04913	0.3
83.08587	0.5
91.05458	7.9
93.07001	1.5
95.04929	2.1
95.08588	2.1
97.02876	0.5
98.97539	1.0
103.93199	0.2
104.77698	0.2
105.06998	1.7
107.04933	2.3
107.08568	1.6
109.06514	0.5
109.10139	1.2
111.00797	0.4
112.92966	0.3
119.04916	19.7
119.08565	0.6
121.10111	1.0
123.04405	4.1
129.06914	0.3
133.10071	0.5
135.11699	0.5
143.08586	0.5
147.04385	36.1
147.11684	0.5
151.03883	0.3
153.01802	100.0
157.10138	0.3
161.13243	0.4
171.02853	1.6
171.11682	0.6
173.09549	0.3
179.03365	0.5
189.05502	0.5
192.29109	0.4
255.06450	0.4
255.17245	0.5
273.07507	33.8
273.18384	1.4
273.25659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96714	6.9
55.05304	4.9
55.05507	80.6
57.07056	9.3
58.06586	7.6
67.05495	54.7
69.07053	100.0
79.05460	29.8
81.07034	68.2
81.08261	5.9
83.08615	50.1
83.36146	6.4
83.75320	6.2
91.05439	12.1
92.08973	7.7
93.07024	31.2
95.08572	69.1
97.06482	8.1
97.10150	32.6
105.07001	24.3
107.08577	34.3
109.06490	8.6
109.10136	35.2
111.11686	7.9
119.08562	26.9
121.10109	11.6
123.11731	7.8
133.10097	13.2
135.11594	8.0
147.04388	12.5
150.29544	6.6
161.13274	9.6
217.19432	23.9
221.29871	7.2
235.20540	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.3
53.03928	2.6
55.01867	4.8
55.05504	44.5
57.03426	9.6
57.07064	10.2
59.04995	1.5
65.03921	1.1
67.05491	100.0
69.03400	1.7
69.07054	33.5
71.04980	9.9
77.35779	1.1
79.04998	1.9
79.05471	73.7
81.07037	92.2
83.04956	8.7
83.08603	13.2
85.06499	1.7
87.04430	2.7
91.05459	56.9
91.98321	1.1
93.07021	65.1
95.04945	6.7
95.08583	85.4
97.06506	13.2
97.10138	8.5
98.97562	1.5
100.15533	1.1
100.84502	1.0
101.05985	12.7
103.08285	1.3
105.04520	1.7
105.07013	31.4
107.08572	29.2
109.06483	2.2
109.10144	28.8
111.08073	4.8
111.11713	1.1
115.07522	2.1
116.06695	1.1
117.06998	1.8
119.06041	1.2
119.08560	24.8
121.10124	38.0
123.11692	11.3
131.08540	2.2
133.10104	26.4
135.11670	25.3
137.09549	1.3
137.13210	2.3
138.80463	1.3
141.07082	1.1
145.10068	2.2
147.11667	13.7
149.12154	1.2
149.13220	8.4
151.11163	1.3
153.06984	7.9
155.08626	2.2
159.11682	1.6
161.13223	13.7
163.14807	1.4
164.53111	1.2
165.07002	10.1
168.05640	1.7
169.10188	1.4
169.11670	1.1
175.14737	8.1
181.06439	2.0
183.08017	5.8
195.98444	1.2
196.05121	1.3
197.05952	1.3
209.19514	1.2
210.77292	1.1
211.07539	2.0
212.11147	1.1
217.19492	17.4
235.20529	6.5
253.19315	1.8
253.21638	2.3
271.09476	7.3
271.20508	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	271.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.05503	74.0
57.07060	10.3
57.18651	2.4
59.14865	2.2
61.56110	2.2
67.05492	49.1
69.07050	100.0
71.04922	3.0
79.05479	19.0
81.07035	68.7
83.08598	46.3
85.06542	4.1
91.05442	20.4
92.08579	2.8
92.09108	12.5
93.07024	36.7
93.46338	2.6
95.08577	61.3
97.06510	5.1
97.10148	47.2
105.06992	18.8
107.08547	20.2
109.10134	24.4
111.08064	3.3
111.11703	12.2
119.08537	19.2
121.10126	25.5
123.11704	10.5
124.17033	2.5
125.09612	3.8
133.10124	19.6
135.11638	17.6
139.11212	3.2
147.11613	8.4
151.11194	2.8
151.14807	3.1
161.13222	11.3
165.12762	3.1
217.19437	16.2
235.20485	12.5
253.21577	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	270.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11115	0.2
54.81767	0.2
55.01862	0.3
57.03433	0.3
57.54516	0.2
62.06077	100.0
64.69360	0.2
67.05490	0.3
69.03428	0.2
70.06574	0.3
73.02908	0.2
73.06544	0.2
85.02894	0.9
92.06461	0.2
107.12059	0.2
136.06165	2.7
137.06563	0.5
138.05461	9.0
140.07089	0.5
148.18559	0.2
149.89958	0.2
167.56871	0.2
169.44850	0.3
187.89040	0.2
213.51868	0.3
224.12854	0.3
270.13336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.56853	0.6
54.74894	0.6
55.01865	6.6
56.96563	0.7
57.03419	1.0
57.24183	0.7
61.99113	0.7
65.03938	0.9
67.05474	0.9
69.03413	1.2
69.07051	0.8
73.71609	0.6
79.05473	1.1
79.65166	0.7
80.58060	0.7
81.03395	1.1
81.07042	7.3
83.04940	1.3
84.44869	0.7
85.02892	1.1
88.77805	0.8
89.03873	1.6
91.05455	14.8
93.07045	1.2
95.04942	4.2
95.08608	1.2
98.09663	0.9
98.97572	1.0
99.08089	0.9
101.37034	0.9
105.07002	3.7
107.04925	3.4
107.08532	1.5
110.03637	0.8
111.64658	0.8
115.05441	4.2
116.10720	3.2
117.03352	1.2
117.07035	0.7
118.04148	1.6
119.04903	8.2
119.08549	1.7
121.06487	1.8
121.10133	0.8
123.04430	1.1
124.05148	0.9
128.06174	1.0
129.06976	4.4
131.08588	0.9
133.02721	0.8
133.06502	0.9
134.03625	3.0
134.39659	0.8
137.05957	8.7
141.06969	9.6
145.06477	1.0
147.04350	1.0
152.06186	11.4
153.06964	39.0
154.07739	5.7
155.08530	21.1
157.06479	5.4
157.10101	0.9
165.06964	100.0
166.07768	0.9
167.08543	1.0
168.05675	15.3
169.06503	7.7
170.07234	3.3
171.08057	1.2
178.07751	1.4
181.06425	25.7
182.07207	7.2
183.08012	38.0
183.11609	0.9
185.05870	7.2
187.36931	0.7
193.06308	14.1
194.07274	1.1
196.05176	9.9
197.05978	8.2
198.06670	3.4
198.14813	6.0
199.07520	4.3
200.08310	5.6
207.04315	5.4
209.05870	1.8
210.06734	5.3
211.07512	40.4
212.08286	8.2
213.05414	2.9
213.09079	1.6
221.05870	8.4
226.14314	4.4
227.06895	1.3
228.07773	5.0
239.06958	4.9
242.09363	5.2
243.10052	4.1
258.31430	0.8
271.09589	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.26905	2.5
57.03420	4.3
59.04993	41.3
61.02919	5.1
69.03400	4.2
73.06535	86.5
75.04452	22.4
85.02891	21.2
85.06516	3.5
87.04449	21.6
89.05995	3.9
96.17174	2.8
97.02900	5.4
103.03923	17.1
105.07056	3.5
116.63359	3.1
120.08073	4.6
129.41409	3.0
131.03378	13.1
132.08055	4.5
133.04840	4.7
133.88182	3.2
134.09651	4.4
140.07057	3.8
161.04424	57.5
164.46564	3.2
169.38550	2.9
217.03412	100.0
224.12737	7.2
235.04453	26.4
270.13300	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1898
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
55.05499	17.3
56.96548	14.8
57.07046	2.9
67.05489	38.5
69.07045	15.0
72.54879	1.9
78.03000	2.2
79.05479	21.5
80.15152	1.8
81.07042	45.5
83.04966	13.4
83.08592	9.0
91.05471	27.3
92.09225	2.9
93.07013	21.7
95.04938	3.9
95.08576	43.3
95.16599	2.0
97.06483	10.1
97.08021	2.1
97.10143	2.5
97.32504	2.0
105.07008	74.9
107.04939	2.8
107.08583	28.1
109.06524	3.0
109.10130	25.4
117.06985	12.6
119.08573	16.9
121.10113	14.7
123.08043	3.8
123.11675	11.1
128.06171	4.7
129.06963	9.8
131.08545	39.2
133.10104	69.8
135.11681	4.5
136.06161	2.3
142.07780	3.9
143.08511	44.2
145.06410	2.4
145.10120	25.7
147.08031	10.3
147.11659	5.4
154.07664	2.9
155.08524	33.2
157.10098	23.6
159.08040	12.2
159.11658	14.5
161.09572	29.6
167.08446	2.4
169.10095	16.7
171.11652	3.8
173.09541	14.2
175.11174	4.0
180.09317	3.9
181.10056	10.3
183.11565	3.9
187.11145	3.1
195.11623	16.8
197.13179	2.7
199.14745	3.8
206.68256	2.6
209.13214	10.9
211.14778	12.5
225.16344	3.3
250.37163	2.1
251.17854	16.5
251.20137	3.6
269.18936	100.0
287.16632	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01862	0.4
56.84581	0.1
57.03423	0.9
57.59658	0.2
61.80109	0.2
64.86142	0.1
69.03422	0.2
71.01333	0.2
73.02889	0.1
85.02885	0.6
94.04039	0.2
107.13008	0.2
119.03532	0.9
131.38806	0.2
136.06166	100.0
137.04575	0.3
156.29468	0.2
184.39824	0.1
197.63551	0.1
268.10318	4.5
268.12924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.05500	9.1
57.03422	16.5
58.98854	2.0
59.04992	19.4
60.04506	14.4
61.02917	3.1
61.04021	3.0
64.33641	2.5
64.52850	2.1
69.03407	15.1
70.52501	2.2
71.04973	100.0
72.04480	2.7
74.69260	1.9
81.03397	10.8
81.04514	39.5
83.04964	18.2
83.06048	4.7
85.02885	41.3
87.04431	2.7
88.68547	2.4
89.06010	75.0
93.04491	4.4
97.02871	9.1
101.05988	43.8
107.07053	32.6
110.07145	73.4
114.06326	2.0
116.84943	2.4
122.07129	66.1
124.22275	2.1
132.13727	2.2
136.06100	2.3
137.04570	9.0
137.08002	2.6
138.05478	27.9
139.09799	4.1
144.76038	2.6
161.29893	2.3
173.85864	2.2
179.46315	2.3
251.14854	3.4
269.12378	38.0
269.15741	4.4
273.39206	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01863	0.2
57.03430	1.0
59.20494	0.1
60.04517	2.5
60.05625	0.6
61.02909	0.2
64.05436	0.1
67.59916	0.1
69.03415	0.2
71.01340	0.2
71.04999	0.2
73.02898	0.2
81.03405	1.2
85.02876	0.5
85.06537	0.2
94.04031	0.3
95.04928	0.1
97.02856	0.1
109.02839	0.2
113.05988	0.8
115.03862	0.2
119.03510	0.8
136.06166	100.0
137.04581	0.8
141.05446	0.6
145.47217	0.2
170.59872	0.1
190.57220	0.1
200.95235	0.2
268.10312	4.6
278.74341	0.1
283.71869	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01862	1.7
56.96565	1.1
57.03429	9.9
57.07056	5.5
61.02911	9.5
67.05492	1.4
69.03417	26.0
69.06714	1.1
69.07056	21.7
69.07414	1.8
71.04977	1.1
71.08626	3.3
71.29208	0.9
73.02873	4.3
81.03383	8.7
81.07034	1.6
85.02892	100.0
87.04441	1.0
87.08089	58.6
91.03905	1.0
97.02883	17.8
98.97548	1.9
99.04467	3.1
105.03373	4.5
109.02861	8.1
109.22233	0.8
127.03892	11.9
145.04939	7.3
163.03847	1.3
178.31908	0.9
214.87160	1.0
226.36835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.03442	1.1
57.07061	2.6
67.05483	3.8
69.03412	1.6
69.07037	1.0
71.08618	1.1
72.75249	0.6
77.09828	0.5
81.03406	4.5
81.07021	4.0
91.05461	10.1
92.08999	5.8
93.07002	0.9
95.04957	2.6
95.08601	0.9
103.05444	1.0
105.03353	4.8
105.07011	4.0
107.04924	3.0
107.08584	0.8
115.05431	7.1
116.06207	4.2
117.07033	4.5
119.04948	0.7
119.08524	1.1
121.06467	0.9
128.06204	10.9
129.06042	1.4
129.06975	28.9
131.04877	2.9
131.08539	26.9
132.05702	1.0
133.06427	4.8
133.10115	2.9
141.06966	12.8
142.07756	5.3
143.04916	0.9
143.08545	5.2
144.05684	17.0
145.06436	8.1
146.03589	0.9
146.07219	4.8
147.04378	1.2
147.07982	1.1
147.11711	0.8
152.06171	1.2
153.06982	2.7
155.06035	2.7
156.05617	1.5
157.06438	13.2
158.07242	2.8
159.08023	40.8
160.05220	1.1
161.05963	5.7
161.09596	8.6
169.06421	2.1
169.07619	5.2
170.07208	9.4
171.04373	0.8
171.08009	9.4
172.05135	5.6
173.05859	4.6
174.06709	2.7
175.07503	5.8
177.35654	0.7
178.06273	1.2
185.06010	0.8
186.06714	0.8
187.07506	23.0
188.08295	0.9
189.05452	3.8
189.09074	8.9
190.06258	2.7
191.07083	2.9
193.08577	0.7
198.06740	1.4
199.07538	2.7
201.05453	3.0
203.06995	9.9
204.07770	17.2
205.08577	2.7
206.09288	0.8
216.07793	5.0
217.08511	0.8
218.09296	1.2
219.10083	3.2
221.11699	3.3
228.17368	0.7
231.10156	8.4
234.08832	0.9
249.11159	100.0
260.51682	0.7
267.15860	1.1
267.21005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1224
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
50.06310	0.6
53.03927	1.3
55.01862	1.4
55.05500	2.0
56.96552	0.8
57.03428	5.8
57.07057	5.5
67.05495	7.4
67.29630	0.7
67.50758	0.6
69.03410	3.5
69.07042	1.8
71.08600	1.4
73.19231	0.8
79.05465	6.9
81.03396	21.3
81.07021	7.7
83.04948	0.8
83.08610	1.6
85.02858	0.8
91.05450	16.4
93.07015	4.4
95.04945	6.4
95.08593	3.8
97.02876	0.8
105.03387	6.2
105.06996	9.6
107.04942	4.7
107.08506	2.3
109.10128	1.2
115.05421	8.0
116.06220	4.3
117.06979	5.7
119.08558	5.0
121.06484	1.2
121.10130	1.2
124.75353	0.8
128.06189	13.2
129.06969	32.1
131.04883	3.0
131.08545	30.2
132.05688	1.3
132.40021	0.9
133.06467	4.2
133.10078	5.4
133.11012	0.9
139.05359	1.2
141.06961	15.5
142.07764	5.7
143.08537	3.9
144.05666	13.3
145.06453	10.3
146.07251	5.1
147.04417	1.9
147.08051	1.8
147.11652	1.1
149.09579	1.0
153.06949	3.1
155.06006	1.6
156.05669	1.8
157.06474	13.5
157.10066	1.7
158.07254	3.6
159.08014	41.9
160.05196	1.1
161.05890	5.9
161.09586	8.9
165.95569	0.8
167.07063	0.9
169.06386	1.8
169.07608	3.2
170.07224	13.1
171.07973	9.8
172.05168	5.9
173.05952	5.3
174.06769	3.3
175.07510	5.0
175.10983	1.1
178.06174	1.1
187.07506	26.7
188.08278	1.1
189.05370	5.5
189.09004	10.3
191.06985	1.6
193.12080	1.0
198.06766	1.9
199.07521	3.7
199.70979	0.9
201.05397	1.2
203.06973	9.2
204.07765	15.0
205.08650	1.4
216.07837	3.9
217.08513	1.3
218.09329	1.7
219.10107	5.9
221.08189	1.6
221.11674	3.7
231.10110	7.0
249.11143	100.0
267.12003	4.0
267.15738	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	267.1223
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
55.01863	0.7
57.07047	0.5
59.18369	0.4
67.05474	1.0
69.03407	1.1
79.05483	0.8
79.77190	0.4
81.03376	0.8
81.07020	0.9
85.45925	0.4
91.05466	10.9
92.08619	1.0
92.38554	0.5
92.64283	0.5
93.07027	0.8
103.05455	0.9
105.03377	1.0
105.07042	3.6
107.04932	2.3
115.05429	7.0
116.06196	3.4
117.06996	5.5
119.04876	0.5
121.06454	0.9
125.05804	0.5
128.06192	13.8
129.06979	30.6
129.07941	1.0
130.07735	2.4
131.04947	2.1
131.08536	28.8
132.05652	1.0
133.06430	3.9
133.10086	2.2
139.05408	0.6
141.06973	13.8
142.07744	5.3
143.04906	0.8
143.08545	5.3
144.05693	14.0
145.06473	10.1
146.07246	4.6
147.04352	2.1
152.06192	2.1
153.06990	4.1
155.06021	1.9
156.05678	3.7
157.06467	14.7
158.07259	3.1
159.08022	42.8
160.05127	0.7
161.05954	4.0
161.09564	9.4
167.07027	1.1
169.06400	2.2
169.07623	4.6
170.07220	10.9
171.04385	1.0
171.08025	6.7
172.05240	3.9
173.05940	6.2
174.06691	4.9
175.07454	4.6
178.06197	2.3
184.05141	0.6
185.05922	0.9
186.06656	0.7
187.07500	22.5
188.08336	2.8
189.05428	4.0
189.09029	10.8
190.06190	1.2
191.06970	2.3
193.08575	0.9
198.06708	2.6
199.07533	3.7
201.05414	2.0
203.06999	8.7
204.07771	18.6
204.09538	1.0
205.08502	2.2
206.09239	1.0
216.07741	4.6
218.09306	2.2
219.10161	4.8
221.11763	3.2
231.10094	8.1
234.08678	0.9
249.11162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23278	0.6
55.05269	1.1
55.05506	17.9
55.19233	0.6
56.05842	0.7
56.96550	4.1
57.03418	2.7
57.07055	4.3
58.46410	0.7
67.05490	2.6
68.66425	0.7
69.03407	4.4
71.08609	2.9
79.05474	1.0
81.03393	2.6
81.07038	3.0
82.06583	0.9
83.04959	0.9
83.08607	1.1
85.02876	1.4
91.05476	6.2
93.07026	3.7
95.04948	1.3
95.08575	1.5
97.02882	2.7
98.97531	1.4
105.03371	5.5
105.07017	5.9
107.04949	1.1
107.08572	2.6
109.07607	1.0
115.05431	2.9
116.06216	2.9
117.06989	3.4
119.08524	3.0
121.06418	1.0
121.10132	0.9
123.04393	0.7
128.06200	5.7
129.06987	17.2
131.04875	0.8
131.08553	13.5
133.06474	1.3
133.10120	1.5
141.06981	5.6
142.06894	0.9
142.07838	1.7
143.08501	1.5
144.05675	7.7
145.06448	5.4
145.10135	1.2
146.07231	3.1
147.11667	1.0
153.07014	0.9
156.05621	1.1
157.06453	5.6
158.07251	1.1
159.08029	22.4
159.11610	0.9
161.01146	0.8
161.05945	1.5
161.09605	3.5
169.07574	1.7
170.07217	4.9
171.08012	3.5
172.05197	1.2
172.70586	0.9
173.05962	3.2
174.06798	1.4
174.10345	4.7
174.60529	0.8
175.07503	3.4
177.58820	0.9
182.55611	0.8
182.59924	1.7
183.04408	0.9
183.10835	2.8
183.61066	1.7
184.02812	3.5
187.07504	11.6
187.09897	3.3
188.59911	0.9
189.05371	1.3
189.09067	3.9
191.07008	1.4
192.11510	1.0
193.09949	0.8
196.10463	0.9
198.06657	0.8
199.07452	1.7
199.85558	0.8
201.05502	1.7
201.12762	5.7
201.62669	2.7
202.03835	1.5
202.10320	0.8
203.06969	5.2
204.07813	10.1
205.08556	1.2
205.62665	4.4
206.12674	0.8
210.13341	5.2
210.63292	1.3
214.63257	11.7
215.13396	5.1
215.63847	0.7
216.07811	3.1
218.09361	1.1
218.62608	0.8
219.01906	0.8
219.10089	1.2
219.13284	9.7
219.63448	2.9
223.63788	16.4
224.13896	3.6
228.13788	37.3
228.63910	10.6
229.14023	2.8
231.10100	3.5
232.64334	0.9
237.14320	71.4
237.64484	24.9
238.14661	6.2
246.14838	100.0
246.62419	1.1
246.65004	34.0
247.10216	1.1
247.15186	5.4
249.11165	51.6
264.13843	1.7
265.12195	3.7
267.15747	1.6
282.14725	1.1
283.13141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1223
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
67.05499	0.6
67.25268	0.6
69.03405	0.9
72.58456	0.7
79.05466	0.7
91.05461	10.9
92.09116	3.6
95.05004	0.9
97.02861	1.1
98.97565	0.6
100.66945	0.6
103.05402	1.3
105.03371	1.5
105.07005	3.8
107.04940	3.4
115.05418	8.2
116.06214	5.3
117.06993	3.9
117.45356	0.6
119.08575	0.8
128.06197	12.3
129.06976	32.9
130.07776	2.7
131.04900	3.6
131.08533	26.2
132.05675	1.3
133.06448	2.8
133.10066	1.4
141.06961	13.4
142.07809	4.7
143.04887	0.7
143.08510	5.1
144.05675	18.1
145.06450	8.8
146.07285	5.8
147.04408	1.0
147.07996	0.8
152.06143	0.8
153.06972	3.9
155.06006	1.2
156.05664	1.2
157.06451	12.5
158.07222	3.5
159.08017	39.3
160.05176	0.8
161.05913	3.7
161.09570	8.0
167.06972	3.5
169.06383	1.3
169.07620	3.5
170.07208	11.1
171.04327	1.0
171.08012	9.1
172.05161	5.6
173.05911	5.1
174.06723	3.5
175.07545	5.3
184.05238	2.3
185.05911	0.9
186.06804	0.8
187.07498	22.8
189.05446	5.0
189.09077	8.7
190.06221	0.9
191.07028	1.5
193.08583	1.2
198.06703	1.5
199.07449	2.7
201.05392	1.6
203.06973	8.3
204.07767	16.0
205.08572	3.3
206.09395	1.1
216.07697	4.8
217.08519	0.9
218.09315	2.4
219.10152	5.6
221.08150	0.8
221.11740	1.3
231.10043	7.1
234.08824	1.4
249.11154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44244	0.2
53.00290	0.4
53.03929	1.5
55.01859	0.4
56.96550	1.0
57.07066	6.0
58.07176	0.2
63.93956	0.3
67.05508	0.3
69.03422	0.4
69.07059	0.5
71.01343	0.4
71.08614	3.2
72.08159	0.2
77.03886	0.3
82.02924	0.5
85.02866	0.3
85.10157	1.7
89.02368	2.0
91.05460	5.4
93.07021	10.7
95.04943	2.1
97.02857	1.3
98.97552	1.4
100.03954	0.4
103.04762	0.3
103.05446	8.2
105.04530	0.4
107.04928	1.1
117.38614	0.3
117.95953	0.3
118.07252	0.3
120.08086	4.6
121.06480	100.0
128.03416	0.5
128.98608	0.3
135.04398	0.4
149.23026	0.3
152.57060	0.3
157.16847	0.3
160.07559	0.5
161.01134	0.4
163.03868	1.8
170.53482	0.3
202.08589	14.2
204.10254	0.4
206.16347	0.3
220.09665	0.5
230.13570	0.3
246.99026	0.4
248.09113	11.8
248.14796	0.5
265.12979	0.4
265.15552	0.5
266.10312	0.5
266.13367	1.1
266.15900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49245	0.2
53.49146	0.2
62.26270	0.2
64.01935	0.2
71.08621	0.3
78.67258	0.2
82.99785	0.2
96.33875	0.3
101.00843	4.4
119.01890	18.0
122.33627	0.2
134.99892	1.5
137.02927	5.0
140.98772	0.5
153.00859	0.4
158.99904	1.6
165.99521	0.2
173.31711	0.2
175.02937	0.4
177.00905	39.0
182.99815	0.4
193.03967	0.4
195.01965	1.4
201.00897	1.3
217.04036	5.1
219.01955	40.7
225.00893	1.3
243.01939	5.6
261.02991	100.0
262.03128	0.5
263.03375	0.3
284.04562	1.0
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	Clitocybulol B
Peak:m/z	Relative Intensity
54.59548	0.9
55.05494	4.6
57.03421	1.5
67.05479	5.3
69.07045	3.9
71.04976	2.0
79.05463	2.3
80.87382	1.0
81.07037	8.3
83.08592	2.4
85.06535	1.2
91.05465	9.4
93.07034	10.2
95.04945	2.5
95.08595	14.1
103.05413	1.3
105.07011	17.5
107.08581	16.9
109.06483	2.1
109.10136	6.9
111.04436	1.7
111.08057	2.1
115.05456	3.8
117.07004	10.8
119.08558	33.4
121.06486	2.3
121.10112	16.1
125.05947	1.0
125.09549	1.1
129.06985	1.4
131.08522	11.7
133.10106	50.3
135.08018	4.3
135.11639	4.6
137.09633	1.9
143.08530	1.2
145.06427	11.9
145.10100	15.7
147.08041	2.3
147.10649	1.5
147.11662	11.9
149.09579	4.2
156.05672	1.9
157.10098	1.4
159.07988	2.4
159.11696	11.8
161.09627	10.2
161.13190	2.5
163.11162	1.1
165.09166	1.7
167.07013	1.0
173.05978	9.2
173.09651	1.3
173.13174	2.2
175.11162	4.7
177.09029	2.0
179.10634	5.1
187.11159	1.5
187.14728	5.3
190.06239	2.6
201.16353	14.6
205.08551	4.9
211.14816	1.5
217.08533	5.0
219.17404	7.1
229.15791	6.9
247.16870	7.6
247.46759	1.2
265.14273	4.0
265.17917	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	265.1795
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
53.03915	0.8
54.81810	0.7
55.05491	4.0
56.96561	1.1
57.03410	0.9
57.43945	0.6
59.04974	1.2
60.88578	0.7
63.54591	0.7
65.66684	0.7
67.05480	5.2
69.07048	3.5
71.04963	1.5
79.05454	4.3
81.07031	5.4
83.04966	1.4
83.05438	0.9
83.08584	3.8
91.05434	6.5
93.07032	9.4
95.04967	1.6
95.08575	10.5
97.06487	1.2
99.08068	1.2
105.07003	12.3
107.04900	1.9
107.07927	1.3
107.08571	14.3
109.06482	1.1
109.10130	6.4
111.04393	1.0
111.08046	4.7
113.72757	0.8
115.05428	3.6
117.06984	8.3
119.08550	24.0
121.06416	1.7
121.10130	13.5
122.07126	0.9
123.08038	0.9
125.05990	1.4
125.09554	1.2
129.07005	0.9
130.49600	0.8
131.08562	7.0
133.06494	1.2
133.10101	40.0
135.07977	3.6
135.11636	3.6
137.09636	1.3
141.06898	1.0
145.06487	10.6
145.10094	11.6
147.07999	1.3
147.11667	8.2
149.09598	4.6
153.09087	1.1
155.05984	1.5
156.05698	1.6
157.10220	1.1
159.07976	2.1
159.11670	7.5
161.09549	7.4
161.13231	1.7
163.07529	1.4
163.11163	1.0
165.09128	0.9
167.07059	1.7
168.93910	0.9
169.10205	0.9
173.05937	10.2
173.09636	1.4
173.13274	1.1
175.11166	3.5
177.09065	4.1
179.10664	3.9
187.11122	1.5
187.14850	3.3
190.06262	6.1
191.10625	1.5
201.16351	8.8
203.07152	0.9
203.17908	1.7
205.08569	5.4
217.08507	3.6
219.17407	1.6
229.15854	5.3
247.16896	8.1
251.91150	0.9
265.17920	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	265.1545
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
54.23706	0.8
55.05510	14.2
55.05765	1.4
56.09050	0.7
56.57009	0.9
57.07068	1.3
58.45282	0.8
59.19493	0.7
65.36855	0.8
67.05550	0.7
68.00279	0.8
69.03418	4.8
72.08138	91.5
80.03397	0.8
81.03381	0.9
81.07056	1.0
85.02869	1.7
85.06537	1.0
86.09722	0.9
87.71312	0.8
91.05470	1.5
92.09094	4.8
93.07009	0.9
97.02854	2.0
98.97559	1.1
109.62648	0.8
116.98612	1.0
120.08081	15.2
132.88371	0.8
135.56166	0.9
148.58206	0.8
159.09183	1.0
166.08559	6.2
171.09091	6.2
172.09918	39.2
173.10690	8.0
174.11443	4.7
174.12825	1.8
185.10789	4.1
186.11482	7.9
201.13841	78.1
202.12286	8.5
203.15462	1.4
206.78221	0.9
214.10971	1.7
219.14885	8.6
229.13326	96.4
245.31718	0.9
247.11731	1.2
247.14348	52.8
265.15417	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	265.1434
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
50.18112	3.8
53.03934	6.2
53.95154	3.6
55.01866	7.4
55.05502	20.4
56.68365	3.2
56.96553	7.3
57.03440	4.4
58.54647	3.7
58.99577	18.4
60.12265	3.6
60.60128	3.3
61.01133	7.5
62.83561	3.3
63.23820	4.1
65.03973	3.9
67.05486	39.6
68.20434	4.2
69.03416	37.6
69.07054	17.8
71.04973	18.6
73.06551	4.6
78.77200	3.9
79.05482	34.8
81.07046	22.5
82.71313	3.8
83.04971	9.7
85.02884	32.5
85.06551	9.4
86.99046	21.6
88.74993	4.2
89.00608	9.8
91.05466	67.3
93.07030	48.8
95.04955	60.5
95.08601	18.5
97.02895	9.8
97.06511	27.8
98.97530	4.8
99.04458	5.5
105.00097	19.5
105.07022	81.6
107.08590	24.8
109.06495	24.8
109.10160	5.1
111.02703	6.7
111.04458	32.2
111.08076	4.4
113.04253	8.2
113.05956	16.8
115.05466	6.5
116.06262	7.2
117.07019	25.7
119.04950	4.8
119.08570	100.0
121.02843	31.6
121.06490	67.6
122.07182	34.9
123.08064	26.3
125.05983	18.3
127.03876	4.9
128.06253	7.2
129.07019	17.5
131.08553	49.4
133.06474	9.5
133.10124	18.1
135.08044	68.6
137.09596	8.7
139.03925	10.6
141.07005	8.6
142.07799	10.0
143.08595	9.3
144.05717	4.5
144.09297	10.0
145.06453	24.2
145.10110	32.5
146.07251	5.4
147.08028	45.4
147.11674	18.9
149.09592	9.9
153.06953	6.4
154.81720	5.0
155.08563	8.9
156.09349	8.5
157.10078	17.0
158.07268	17.8
159.08064	36.1
159.11656	41.9
160.08740	5.4
161.09669	32.9
165.09088	31.1
168.09346	5.9
169.10109	6.0
171.08049	7.2
172.08824	26.3
173.09631	9.2
173.13216	25.6
175.07513	46.3
175.11189	36.1
183.11801	5.5
185.09639	6.3
187.11179	29.9
189.12878	5.1
193.08536	8.2
199.11096	8.8
201.12770	25.9
203.10622	15.7
211.11197	8.4
217.12283	10.4
229.12125	8.3
247.06277	7.3
247.13252	31.5
265.14307	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1114
Annotation	Thiamine
Peak:m/z	Relative Intensity
50.24141	0.2
53.06069	0.2
54.03448	1.2
56.96548	0.2
57.03379	0.2
69.03397	0.5
71.04971	0.3
73.02882	0.3
77.44176	0.2
80.04984	1.6
81.04519	19.6
85.02869	1.3
95.06056	0.2
97.02874	0.6
102.10262	0.2
107.03674	0.3
112.67758	0.2
113.02923	0.6
122.07119	100.0
122.49471	0.3
126.03690	1.2
136.06157	1.2
144.04759	28.7
170.05144	0.4
180.45181	0.2
213.76361	0.3
265.11301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.6
56.96550	6.9
57.03433	5.4
63.28955	3.6
64.33458	4.1
65.03911	4.4
67.05489	21.0
69.03416	37.9
69.07040	3.5
71.04991	3.4
79.05477	21.9
81.07065	15.8
82.24583	4.1
82.30788	3.7
83.04978	4.8
85.02899	7.5
85.06516	4.9
87.10400	4.3
91.05463	46.5
93.07011	34.1
95.04944	28.7
95.08625	9.5
97.02874	7.3
97.06539	4.8
98.97543	6.9
105.07002	70.0
107.08562	21.9
109.06518	10.2
111.04427	24.4
111.08041	5.4
113.06011	6.3
115.05393	5.9
117.06999	19.7
119.08562	85.2
121.02843	7.9
121.06499	40.2
121.10159	8.9
123.08035	15.7
129.06979	6.3
130.07733	5.2
131.08521	35.8
133.06458	8.9
133.10110	29.7
135.08029	57.8
137.09560	5.3
139.03914	5.4
142.07768	9.9
143.08508	7.0
144.05688	5.2
145.06535	8.0
145.10141	19.9
147.07988	30.4
147.11618	7.1
155.08502	6.4
156.09293	6.2
158.07253	19.6
159.08023	34.8
159.11659	36.1
160.09943	7.1
161.01253	4.9
161.09624	16.9
165.09059	17.7
172.08765	8.7
173.09486	6.9
173.10851	13.2
173.13223	5.0
175.07561	32.1
175.11168	16.8
183.11765	4.6
186.10226	5.6
187.11176	22.8
188.13071	6.0
190.10988	17.3
196.08784	4.5
199.11118	5.8
201.13959	19.0
203.10612	17.5
205.12180	6.0
211.11162	6.6
216.12531	4.8
217.12033	6.3
219.14969	74.7
221.16292	4.4
229.13550	14.0
247.14592	48.7
265.15475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43229	0.7
60.91167	0.8
64.91732	0.8
67.25829	0.9
69.03422	1.6
76.49689	0.9
81.07072	0.9
85.02892	1.5
87.04459	1.3
91.05460	4.9
91.48270	0.8
97.02837	1.2
103.05446	4.6
107.04907	1.3
109.10126	1.6
115.05435	27.7
117.06994	48.6
119.08550	1.3
128.06218	3.7
129.06964	4.1
130.04094	1.4
131.04932	1.7
131.08546	1.6
132.05684	1.4
141.06903	0.9
143.04800	1.0
144.05685	1.7
145.06468	100.0
147.04305	0.9
147.08031	5.2
155.04886	1.7
155.06007	14.5
156.05670	25.8
157.06471	4.3
159.08159	1.4
160.05185	2.1
161.05945	4.1
167.06984	1.6
173.05946	67.6
174.64362	0.9
175.03888	1.6
175.07526	2.0
184.05199	1.7
187.07532	1.2
190.06201	35.7
202.06195	5.1
203.06934	8.9
205.08569	40.2
205.10536	1.3
217.08574	42.7
220.12531	0.9
235.09636	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	265.1067
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
50.79222	1.8
57.03418	2.5
69.03411	9.4
79.05462	9.9
83.01317	5.7
85.02891	4.1
91.05483	16.4
92.64230	2.3
93.07017	9.9
95.04939	3.8
97.06496	2.3
98.97578	2.6
99.04427	10.9
105.03335	4.3
105.06997	8.8
107.04934	10.0
107.08596	4.0
113.79513	2.3
115.03861	3.4
115.05428	25.0
116.06207	3.2
117.07008	29.5
119.04906	3.2
119.08535	4.6
121.02827	2.7
121.06454	19.8
128.06219	3.1
129.07004	4.7
131.08530	9.8
133.06444	3.7
134.07263	2.6
135.04384	67.5
136.20465	2.4
144.05684	4.3
145.06453	100.0
145.07573	3.9
146.07298	3.7
147.04434	9.9
149.05936	12.3
155.05959	2.6
156.05591	3.0
159.07957	19.4
161.05930	11.3
162.06776	4.3
167.07030	13.2
173.05954	82.2
174.06705	9.9
175.03859	9.1
175.07452	4.1
177.05440	10.8
177.09082	9.6
177.78094	2.7
186.06784	4.0
187.07498	11.9
189.05435	10.7
190.06227	55.5
191.06940	24.0
197.08209	2.8
201.05449	2.9
202.06233	13.6
203.07088	5.0
204.07802	10.1
205.08562	77.1
207.06396	5.4
214.80952	2.8
217.08522	11.0
218.05733	12.3
219.06534	29.9
219.09967	5.4
221.07816	2.9
232.07126	2.5
233.05797	4.2
233.08023	67.1
234.08824	29.3
235.05986	5.4
235.90451	2.5
247.09732	4.4
265.10635	19.4
269.52261	2.4
280.01904	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.79730	2.8
55.05497	23.6
57.07063	6.0
64.08237	3.7
67.05492	90.9
69.07047	20.8
69.40299	3.8
79.05470	21.7
81.07038	100.0
83.08582	9.0
91.05453	21.1
93.07019	24.6
95.08582	86.9
97.06507	4.8
97.10141	3.4
105.07014	9.0
107.08574	7.3
108.26210	3.7
109.10128	40.8
119.08593	4.5
121.10106	19.3
123.11697	7.5
133.10075	7.2
144.19368	3.4
161.13223	5.3
163.14851	6.6
245.22714	7.9
263.23682	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.3
53.03933	1.1
54.91441	0.9
55.01847	4.7
55.05494	2.0
57.03426	32.7
59.04981	6.5
59.78865	0.9
61.02899	4.5
69.03413	100.0
71.01334	1.4
71.04974	1.9
73.02875	3.9
75.04462	3.6
79.05461	1.3
81.03385	11.4
81.07043	1.1
83.01342	3.5
83.04954	4.3
85.02882	66.2
87.03933	2.1
87.04445	42.5
93.66029	1.0
97.02863	56.0
99.04430	7.4
101.02365	2.1
103.42030	1.0
109.02857	2.1
111.04414	3.8
113.02363	1.4
115.03150	1.8
115.03908	38.3
115.05371	1.0
117.05460	1.3
127.03882	13.7
131.03351	1.4
133.04938	28.8
139.03873	2.2
145.04971	7.7
145.06468	1.9
157.04958	8.7
161.04425	2.5
173.05936	1.7
175.06067	1.0
190.06322	1.6
193.04982	2.1
211.05998	1.3
229.06966	9.3
237.07765	1.5
247.08057	1.9
265.09171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1485
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01847	6.2
55.05501	69.8
56.96544	1.5
57.03424	6.7
61.02902	8.7
67.05486	6.1
69.03073	1.3
69.03415	23.1
71.01328	1.7
71.04964	6.5
73.02907	2.5
79.05482	2.0
81.03390	8.3
81.07033	11.7
83.04963	6.2
83.08601	69.5
85.02888	100.0
85.06508	1.6
91.05409	2.8
93.07004	8.7
95.04963	1.6
95.08572	12.8
97.02861	14.6
97.06509	7.2
98.97562	1.8
99.04433	5.9
99.08070	2.5
101.08572	1.3
101.09632	19.6
103.03859	1.9
105.06984	6.3
107.08579	8.4
109.02908	9.9
109.10149	2.6
111.04433	1.7
111.08041	11.5
113.09620	2.2
115.03864	2.3
119.08543	3.1
121.10128	3.1
123.08035	7.8
125.09611	6.4
127.03903	16.3
133.10043	1.8
135.08005	2.7
137.09604	6.2
139.07520	3.1
141.09088	8.3
143.08517	1.4
145.04938	3.2
151.07520	6.4
151.11169	1.7
155.10556	1.5
167.10619	1.8
169.08525	2.6
169.29436	1.4
179.10748	1.5
192.09221	1.4
209.11758	10.9
226.96689	1.6
227.12718	5.4
245.13687	2.5
263.14853	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	263.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.7
53.09542	1.5
55.01865	9.5
55.05506	58.5
56.96564	18.1
57.03428	25.4
59.04991	100.0
61.02917	15.2
67.05486	13.0
69.03416	78.3
69.07078	2.2
69.92620	2.2
71.04974	15.7
73.02905	18.3
73.06550	6.8
79.01984	2.0
79.05467	4.4
81.03400	57.9
83.01316	2.2
83.04972	39.6
84.96043	2.0
85.02894	83.3
85.06521	3.7
87.04426	2.1
95.04967	19.8
97.02876	84.9
97.06509	2.1
98.97553	31.6
99.04437	14.3
101.02331	2.2
101.06010	28.9
109.02860	28.0
110.05987	2.2
110.97570	4.5
113.05985	4.5
116.98579	18.4
117.07001	2.3
119.01814	4.6
119.03675	2.4
123.04449	2.6
125.05972	2.5
127.03904	35.1
128.02318	2.7
128.98592	8.5
131.00114	2.2
134.99663	4.5
140.07137	3.2
142.42653	1.8
143.00148	4.3
145.04955	19.6
146.99664	3.9
149.96138	2.5
158.99644	11.2
161.01205	7.8
167.97041	2.6
170.99585	2.7
173.01204	2.5
177.00706	13.3
182.03325	2.9
187.02637	2.2
187.06033	9.3
189.00764	4.2
191.03802	2.6
205.07048	2.9
207.01711	2.2
219.01717	18.8
227.09195	3.5
237.02751	22.8
238.03238	2.2
238.05920	11.2
245.10187	2.7
254.07271	9.8
261.02780	3.7
263.07779	18.4
263.58044	3.1
279.03830	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	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07847	16.4
83.04986	26.3
84.04507	17.9
84.77541	15.4
85.02897	21.3
98.98447	29.2
103.77631	15.5
163.19040	15.3
174.24590	21.6
189.88254	17.1
263.01599	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16897	9.1
56.03284	8.8
61.34975	11.6
69.98022	9.9
80.27881	9.8
92.63859	11.4
122.25275	10.5
132.50685	11.1
132.62988	10.4
161.03072	11.5
263.01581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1648
Annotation	3-hydroxyvalerylcarnitine
Peak:m/z	Relative Intensity
57.03428	1.3
58.06576	0.4
59.04989	11.5
59.07370	1.1
60.08154	6.6
83.04932	0.3
84.08113	0.2
85.02892	100.0
106.12698	0.3
144.10191	3.6
145.04942	6.6
149.05981	0.3
161.05717	0.3
167.07016	1.4
175.15714	0.2
177.05331	0.4
185.08061	1.3
204.12248	0.4
219.96797	0.3
262.16440	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.15158	1.4
51.41788	1.6
53.03934	2.6
55.05503	22.2
57.03428	2.3
57.07066	4.1
57.14714	1.4
62.96807	1.4
67.05142	2.2
67.05491	54.8
69.07055	20.0
71.04948	1.6
79.05051	3.3
79.05476	63.9
81.07038	72.8
83.08588	10.4
85.06507	3.7
91.05466	36.4
93.07019	99.8
95.04967	7.4
95.07990	3.3
95.08579	47.4
97.06509	3.4
99.08057	9.3
105.07021	31.9
106.24506	1.8
107.08581	54.6
108.56609	1.8
109.06539	2.1
109.10146	18.1
111.08055	2.8
117.07000	7.9
119.08546	22.9
121.10114	47.9
123.11691	4.4
124.12518	1.9
129.26767	1.8
131.08560	15.7
133.10088	10.9
135.11667	34.3
145.10097	20.5
147.11678	11.7
149.13254	31.6
159.11662	12.0
161.13237	12.4
163.14763	29.8
173.13248	11.0
175.14772	3.8
177.16281	3.3
187.14804	8.6
243.21071	35.7
261.22061	100.0
280.63428	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	261.221
Annotation	4,5-(methanoxyethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
55.05504	17.2
56.48577	1.9
57.07069	3.8
57.13632	2.1
67.05490	53.9
69.07045	13.8
71.04951	3.3
77.97308	2.0
79.05051	4.1
79.05470	68.3
79.05898	3.4
80.21978	1.9
81.07033	63.0
83.08601	5.4
85.06522	3.4
87.21191	2.0
91.05444	39.0
92.08862	8.9
92.09426	2.4
93.07022	100.0
95.04939	4.1
95.08582	44.6
97.06510	2.5
99.08061	10.1
105.07022	17.7
107.08578	59.7
109.06525	2.5
109.10150	18.2
110.02248	2.2
111.08073	2.5
117.07011	9.4
119.08563	18.7
121.10120	52.7
123.11666	2.6
131.08571	20.4
133.10081	15.3
135.11664	31.1
145.10129	21.7
145.51591	2.2
147.11662	10.6
149.13229	34.8
159.11685	16.9
161.13240	11.8
163.14754	24.5
173.13202	9.2
177.16322	4.4
187.14752	3.6
201.16307	2.5
205.14250	2.3
215.17912	3.1
229.62650	2.2
243.20985	29.9
261.22083	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0578
Annotation	Suprofen
Peak:m/z	Relative Intensity
52.83409	1.0
55.05516	1.7
55.12671	1.0
56.05046	1.2
59.92459	1.2
69.03411	2.1
69.07056	2.9
72.08134	18.8
73.08460	1.2
77.52043	1.4
84.04483	2.1
84.08112	9.1
85.00024	1.3
86.09162	2.0
86.09679	40.3
92.08899	4.4
98.97583	1.9
98.98424	1.6
112.07592	5.7
114.98835	1.4
118.95895	1.5
127.03883	1.3
130.04984	2.4
130.08615	5.8
143.11789	2.1
148.05997	2.2
169.01041	2.9
197.05205	1.2
229.03139	12.0
243.04593	5.4
261.05753	100.0
261.14456	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	261.0368
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
53.03926	0.7
53.28561	0.3
55.01866	0.4
57.03431	3.3
61.02914	3.7
69.03413	8.7
71.04967	0.9
72.04218	0.3
73.02886	1.3
75.60323	0.3
81.03398	3.6
84.04461	0.4
84.08122	1.8
85.02888	40.2
85.08421	0.4
85.42607	0.3
86.09702	0.5
91.03922	0.7
97.02871	14.7
98.31219	0.3
98.98444	100.0
99.04413	2.5
101.02348	0.5
103.03957	0.5
109.02866	4.6
115.03917	0.6
116.99461	3.3
124.07572	0.4
127.03890	7.1
130.04974	0.5
136.07513	0.5
145.04970	3.9
159.44092	0.3
163.06036	0.5
224.36386	0.4
226.07034	0.6
229.03297	1.5
246.64816	0.4
258.33859	0.3
261.05798	4.9
280.59750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15446	0.2
51.07161	0.2
53.00288	0.3
55.05491	0.3
56.49991	0.2
56.96539	1.1
57.07066	12.9
58.06582	0.3
62.06062	0.4
70.06579	16.8
71.08613	3.8
76.55918	0.3
85.10162	1.2
86.06055	0.3
88.07609	23.0
90.73402	0.2
92.08903	0.9
92.72424	0.3
96.23244	0.2
98.97569	1.1
99.71278	0.2
102.09158	5.9
106.08646	11.1
116.98597	0.5
122.82442	0.3
134.99609	0.3
154.93117	0.4
172.94247	1.0
177.00752	0.3
190.95305	1.2
198.22174	0.5
213.96877	0.3
216.23170	1.1
223.11342	0.3
242.24715	9.0
260.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.47868	5.3
55.05497	14.9
63.08675	5.8
67.05472	13.6
69.07062	55.0
71.04966	45.9
72.42897	6.1
77.11316	7.8
79.05482	12.0
81.07027	38.6
83.04944	9.2
83.08569	8.6
85.06532	13.5
86.40189	6.8
91.05458	11.5
93.07029	28.7
95.08585	35.9
105.07003	69.7
107.08608	48.4
109.06458	8.9
109.10162	12.1
111.08059	45.1
119.08554	86.1
121.10106	30.5
123.11669	15.5
125.10697	6.1
131.08536	16.4
133.10107	58.5
135.08017	9.7
143.08514	6.9
145.10089	50.3
147.11671	32.6
157.10086	13.3
159.11642	14.6
161.13210	68.5
175.14771	100.0
176.15562	6.9
179.77306	7.1
185.13248	10.4
201.16301	14.6
205.49612	7.3
241.19412	13.8
247.85870	7.0
259.20532	51.4
259.80560	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	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.6
53.03942	2.8
55.01849	2.9
56.96541	7.8
57.03180	1.8
57.03429	39.9
59.04994	4.5
67.05483	1.5
69.03417	97.7
69.07047	2.9
70.06570	2.0
72.08121	1.7
73.02872	2.7
75.04458	6.7
77.26554	1.4
79.05443	2.5
81.03381	9.1
83.04920	2.6
85.02410	2.8
85.02892	45.3
87.04450	37.6
89.03883	3.6
95.04951	2.9
97.02872	100.0
97.06497	2.1
97.70084	1.8
98.97541	2.2
99.04453	2.7
105.56983	1.7
106.04169	3.6
107.04916	2.0
109.02853	3.1
115.03934	27.3
117.03346	5.8
119.01884	1.5
121.06467	1.9
123.04402	12.0
124.05197	1.6
124.99121	2.2
127.03890	2.4
127.07520	2.0
133.04948	21.2
134.03578	2.8
135.04366	10.0
138.03084	2.8
139.03947	1.7
140.04652	9.0
141.05424	7.1
142.66725	1.6
143.00136	8.9
145.02760	2.5
151.03839	3.2
152.04662	3.4
155.06967	3.7
161.01155	6.8
163.03864	35.1
164.04179	6.6
166.92557	1.8
167.07013	51.0
169.04970	3.1
170.05699	27.0
170.99637	1.8
185.01280	2.6
189.00793	3.3
203.02292	2.7
213.00850	1.7
219.71356	1.9
231.01631	3.1
249.02806	3.2
259.07718	2.0
267.03720	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33944	1.3
55.01862	1.9
55.05513	1.6
56.96548	2.1
57.03170	1.9
57.03426	28.4
59.04986	3.3
69.03414	64.1
69.07052	2.5
69.10828	1.2
70.06557	2.9
74.00645	3.3
75.04451	3.1
78.35197	1.3
81.03394	7.2
83.01328	1.9
84.04494	2.9
84.08127	100.0
85.02887	59.2
87.04443	32.1
89.51759	1.4
97.02253	3.1
97.02868	64.7
98.06023	3.1
98.97576	2.5
99.04408	2.2
100.02178	81.3
109.02840	1.6
111.05473	1.8
111.72607	1.7
112.07594	7.4
112.75258	1.4
115.03908	23.1
116.98590	2.7
118.03183	1.9
123.04417	2.9
127.03899	1.9
127.05008	2.1
129.10214	58.5
130.08601	10.9
130.09560	1.5
130.10559	2.3
133.04929	15.7
146.02682	55.8
151.05000	1.9
154.03754	2.3
169.04839	2.2
169.06047	14.6
179.04518	2.5
187.07576	1.8
193.00185	2.1
195.11331	5.9
199.02168	9.6
213.06976	5.3
231.02858	1.8
241.03166	3.2
241.11737	15.3
245.46614	1.5
259.04178	68.0
259.07291	8.3
270.51459	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57003	0.4
53.00281	0.5
53.03923	0.7
55.01869	0.7
55.05495	0.4
56.05032	1.0
56.42218	0.4
56.87683	0.4
56.96566	0.8
57.03427	11.1
59.04988	2.2
67.05497	3.3
69.03413	24.2
69.07043	2.3
70.06564	2.0
73.02895	0.5
75.04455	2.1
79.05441	0.5
81.03395	2.0
83.04958	0.6
84.04481	0.6
84.08127	100.0
85.02888	39.6
85.65881	0.4
87.04443	10.0
95.04940	1.0
96.21497	0.5
97.02866	19.4
98.97565	2.6
101.10754	1.7
103.03894	0.5
103.76949	0.5
111.04400	0.7
111.09171	1.1
112.07581	1.0
115.03899	6.0
116.98602	2.7
123.04389	2.1
124.07621	0.6
127.03922	1.1
129.10214	58.5
130.04958	0.6
133.04951	5.7
134.99609	1.1
135.04475	0.9
138.05502	1.7
163.03876	0.7
169.04930	0.7
190.23528	0.5
195.11259	7.4
213.05428	0.8
231.01997	0.5
241.11781	14.8
241.13988	0.8
252.89503	0.5
259.04205	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	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	10.4
56.98839	0.4
61.88996	0.3
71.95242	1.5
75.55287	0.4
76.09377	0.3
84.84064	0.3
92.08994	1.7
94.67218	0.4
98.97559	100.0
116.98596	61.9
120.09516	0.4
128.46977	0.4
131.64864	0.4
134.99632	25.2
153.00714	2.3
240.98651	0.7
258.99695	15.2
277.00760	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43273	0.3
53.00294	0.5
55.01866	0.9
56.05023	1.6
57.03425	3.9
61.02917	0.7
67.05470	0.5
69.03413	14.3
69.07050	2.4
70.06561	1.5
71.04973	0.4
76.56079	0.4
78.73012	0.4
81.03412	1.6
81.04514	0.7
82.06564	0.4
82.96786	0.5
83.06093	0.5
84.08126	78.3
85.02888	31.1
85.06538	1.6
88.37180	0.5
95.04997	0.5
97.02868	100.0
99.04453	0.4
100.02177	7.3
101.02397	0.4
101.10771	0.6
103.03916	0.6
109.02838	0.7
111.05549	7.2
111.09190	0.8
112.07579	2.4
114.05515	0.6
115.03945	0.4
121.78880	0.4
125.04263	0.5
127.03910	1.7
127.05024	1.7
129.10214	46.2
130.04898	0.4
130.08600	3.4
141.97487	0.4
146.02684	1.8
157.06134	2.0
167.08115	2.0
167.11839	0.8
177.10156	0.4
177.81651	0.4
195.11192	4.8
213.06894	2.3
213.08720	0.8
213.12291	1.4
221.73796	0.4
239.13890	0.4
241.11789	12.5
259.09247	1.5
259.12909	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	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
57.07064	22.7
58.06579	3.8
58.71404	0.5
59.61685	0.6
62.06073	10.7
69.07059	1.2
71.08614	9.7
82.79517	0.5
85.10165	4.1
97.48373	0.5
98.97571	0.6
104.03033	0.5
109.10109	0.9
126.56615	0.5
130.24495	0.5
183.98042	0.5
198.08484	0.6
240.26794	7.6
258.27863	100.0
262.50766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75688	0.3
57.06818	0.5
57.07073	9.9
58.06580	2.0
70.06561	1.8
70.09341	0.4
71.08620	4.4
72.08138	35.8
74.29074	0.3
85.10177	0.9
88.07605	2.1
90.09174	26.4
99.55884	0.4
102.97498	0.4
168.86363	0.5
214.25252	2.1
227.98143	0.5
243.05487	0.4
258.27875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1014
Annotation	Aryl beta-D-glucoside
Peak:m/z	Relative Intensity
52.92767	1.4
53.03941	2.0
55.01854	8.3
55.05499	14.4
55.20435	1.1
57.03432	22.4
61.02900	8.0
65.03918	7.0
67.05492	27.8
69.03416	28.4
70.22465	1.2
71.01333	8.1
71.04953	6.3
73.02885	8.9
79.05472	19.9
81.03394	20.2
81.07032	17.2
83.01292	1.4
83.04963	50.9
84.31193	1.3
85.02888	24.8
85.06531	2.0
88.11726	1.3
91.05466	15.9
93.07006	9.9
95.04945	48.2
95.08585	8.2
97.02881	18.9
97.06505	14.1
99.04420	6.0
103.03919	6.5
103.05441	3.2
105.06989	13.1
107.04944	14.8
107.08598	1.8
109.02851	9.0
109.06504	40.0
111.04425	100.0
113.02379	1.9
117.06993	2.6
119.04922	2.6
119.08525	2.4
121.06467	13.9
123.04409	9.0
123.08019	13.1
125.02316	5.4
125.05953	3.1
129.06958	1.8
129.30655	1.3
133.06461	7.3
135.04407	7.5
137.05940	22.0
139.07555	2.1
140.38049	1.3
147.07973	2.2
149.05936	7.9
150.09792	1.6
151.07503	8.2
153.05406	2.8
155.07007	9.3
161.05890	2.9
163.07494	2.2
167.07071	2.1
175.07532	2.8
179.06970	6.5
185.08006	1.6
186.91156	1.6
191.07002	2.2
193.08380	1.5
203.07024	2.5
209.08168	2.6
211.09627	2.7
221.08054	2.6
239.09106	9.1
257.10153	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01864	11.1
56.25822	0.6
57.03428	25.6
59.04990	8.0
61.02903	3.8
69.03415	5.1
71.01339	9.2
71.04973	5.5
73.02897	10.2
73.69083	0.6
75.04455	1.0
80.04993	1.1
81.03378	0.7
83.01318	3.1
85.02890	21.6
87.04455	13.1
89.02357	3.9
95.01300	2.5
96.04468	0.9
97.02864	5.2
99.04394	0.7
101.02361	22.9
103.03924	4.2
111.00745	2.0
111.58192	0.5
113.02296	1.0
114.05527	0.7
115.03143	1.1
115.03909	25.8
116.94702	0.5
117.90520	0.5
124.03930	100.0
126.05492	0.8
127.03888	3.5
127.04926	0.6
129.01817	28.4
133.04916	6.0
141.01802	2.3
143.03358	10.4
145.04919	3.8
147.02963	0.9
155.08156	2.4
157.01305	21.6
161.04420	14.2
163.05972	2.7
171.02834	7.1
178.31032	0.5
189.03889	32.3
203.05479	13.3
207.04936	0.9
221.06525	3.9
224.07675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1016
Annotation	Aryl beta-D-glucoside
Peak:m/z	Relative Intensity
53.00299	1.4
53.03930	3.3
55.01862	10.9
55.05505	16.0
57.03431	23.7
57.07065	1.8
57.38673	1.5
61.02913	8.1
65.03930	7.7
67.05496	35.2
69.03415	27.8
69.07053	11.0
71.01345	7.0
71.04968	7.1
73.02896	3.8
73.72819	1.9
74.31436	1.7
79.05479	24.4
79.67451	1.9
80.00219	1.7
81.03408	22.0
81.07040	24.8
83.04963	44.9
83.08623	2.2
85.02889	20.1
85.06541	2.4
91.05477	19.1
93.07040	12.5
95.04942	41.6
95.08587	14.5
97.02878	15.7
97.06520	16.8
99.04453	2.2
103.03905	6.5
103.05536	2.1
105.07013	14.6
107.04969	15.4
107.08564	3.2
109.02866	8.8
109.06512	36.6
111.04427	100.0
113.02367	1.8
113.06005	2.5
115.05463	3.6
117.06998	3.2
119.04925	3.5
119.08560	9.4
121.00803	2.4
121.02792	1.7
121.06477	11.4
123.04416	8.4
123.08030	13.5
124.66630	1.6
125.02356	2.0
125.05972	6.9
127.03891	2.4
131.04890	2.1
131.08556	2.4
133.06445	3.6
135.04382	4.3
135.08031	2.6
137.05937	15.9
139.01830	11.5
139.07539	2.2
145.10126	2.9
147.08075	3.8
147.11711	2.6
149.06003	7.9
151.07559	6.9
155.07034	9.5
161.06042	2.6
162.03372	3.7
163.07504	2.2
165.05464	1.8
167.06946	3.6
175.07608	2.1
179.06996	3.4
185.08083	4.0
203.07082	2.5
221.08109	2.3
239.09087	10.2
257.10165	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.0
57.03429	20.4
59.04755	0.4
59.04998	6.7
61.02908	2.8
64.60613	0.5
69.03404	3.4
71.01333	5.7
71.04973	4.0
72.36617	0.5
73.02901	8.4
75.04483	0.8
80.04993	1.1
83.01334	2.1
85.02894	6.5
87.00829	0.7
87.04456	9.1
89.02370	2.7
95.01338	0.5
96.04502	0.8
97.02856	1.0
101.02367	17.6
103.03934	2.2
111.00771	2.3
113.02346	2.0
115.03909	17.9
124.03933	100.0
125.96762	0.5
127.03927	0.5
129.01816	21.5
133.04929	4.7
141.01811	0.7
143.03381	7.9
147.02814	0.6
151.15689	0.5
157.01283	15.2
161.04420	10.9
171.02884	4.3
189.03900	24.1
203.05467	9.7
207.05009	2.1
217.13477	0.5
221.06552	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	256.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.2
55.05476	0.2
57.03427	15.6
59.04987	4.8
61.02906	2.6
69.03413	4.1
71.01333	4.6
71.04976	2.9
72.13152	0.2
73.02898	8.0
73.71501	0.2
75.04449	0.9
77.06014	0.2
80.04994	1.4
81.03381	0.3
83.01325	1.6
83.06072	0.3
85.02888	12.3
86.06059	0.2
87.00777	0.2
87.03935	0.3
87.04452	6.8
89.02382	2.0
91.03925	0.3
95.01305	0.6
96.04448	1.1
97.02869	3.1
99.04395	0.5
101.02354	11.3
101.05992	0.2
103.03934	1.4
109.02845	0.6
111.00793	1.0
113.02329	1.1
114.05490	0.8
114.36668	0.2
115.03905	15.0
117.01833	0.2
119.03384	0.8
124.03926	100.0
127.03892	1.7
127.05042	0.6
127.08659	0.2
129.01811	16.7
131.03426	0.2
133.04935	4.9
133.85774	0.1
137.41093	0.1
141.01814	0.6
141.05412	0.2
143.03368	6.8
145.04947	2.1
147.02852	1.0
155.08102	2.1
157.01292	11.5
159.02914	0.3
161.04419	9.1
163.06000	0.8
171.02834	4.3
175.02333	0.6
189.03902	19.1
203.05482	8.4
207.04988	0.8
221.06511	3.2
224.07603	0.8
254.57114	0.1
256.08124	0.7
256.12967	0.2
256.15930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0812
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01622	0.2
55.01863	3.9
56.05018	0.2
57.03429	7.3
59.04989	1.5
61.02909	1.5
69.03411	3.3
71.01332	2.6
73.02905	4.0
79.42900	0.2
80.05009	1.5
83.06092	0.9
85.02892	4.3
87.04443	1.2
92.08776	0.2
96.04472	1.2
97.02892	1.4
101.02359	2.5
103.03909	0.4
114.05488	0.7
115.03912	3.2
123.05521	1.4
124.03930	100.0
126.64468	0.2
127.04994	0.7
127.08667	0.2
129.01852	2.5
133.04950	3.1
143.03404	1.1
155.08116	2.8
157.01341	1.6
161.04381	1.0
171.02841	0.7
175.15768	0.2
189.03874	2.9
203.05438	1.3
207.05058	0.2
211.31700	0.2
217.90291	0.2
221.06485	0.3
256.08112	0.6
256.12735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85660	11.6
53.60842	9.0
54.81448	13.3
61.95589	12.7
92.09297	11.4
94.34388	10.8
94.49585	11.5
112.89597	61.3
117.66122	13.1
148.41205	11.3
240.48267	12.5
255.06235	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	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83160	1.6
53.90625	1.6
54.34659	1.5
58.54051	1.5
61.02917	16.5
64.00777	1.5
71.01331	15.7
71.04986	2.0
75.04465	30.3
85.13491	1.6
87.04458	9.6
88.43025	1.8
89.02351	2.4
103.03918	37.6
120.08053	1.9
131.03365	13.2
159.02849	63.8
187.02419	4.0
188.17747	1.8
219.04967	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	254.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05461	0.6
57.33554	0.7
57.93391	0.6
59.73649	0.7
60.08150	60.4
61.36881	0.7
65.03926	8.7
72.41782	0.6
80.15977	0.7
85.02905	1.2
86.03220	1.0
91.05473	9.5
93.03382	20.9
100.79775	0.7
101.15007	0.9
103.05437	0.8
103.08442	0.9
110.03676	1.5
111.04426	23.9
119.04906	6.1
121.06476	3.8
125.05965	56.3
134.03568	1.5
147.41190	0.8
149.05959	76.0
153.05444	100.0
177.05400	6.2
195.06491	34.1
254.13815	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2159
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.00052	2.1
55.05506	75.8
56.96555	10.9
57.03452	2.2
57.07058	13.5
57.07310	1.9
65.52353	2.0
67.05487	42.4
69.07053	100.0
71.04971	3.2
78.18110	1.8
79.05472	17.6
80.71001	2.3
81.07032	72.8
83.04954	3.2
83.08607	52.3
85.06501	3.8
91.05464	22.8
93.07024	32.8
95.08585	66.2
97.06512	12.8
97.10143	33.8
99.08073	8.5
105.07003	18.3
107.08574	15.2
109.10130	31.2
111.08046	3.7
111.11720	11.1
118.93323	2.0
119.08569	19.3
121.10149	18.6
123.08046	3.1
123.11674	8.5
133.10095	20.7
135.11682	12.6
137.09618	3.4
137.13211	3.3
139.11136	4.3
147.11703	15.1
149.13266	3.2
151.11247	2.9
151.14746	3.2
161.13231	12.1
165.12665	4.3
171.07487	2.2
173.83522	2.2
193.19560	3.3
217.19438	19.7
219.09656	2.1
235.20522	13.9
253.21492	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	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55870	1.9
54.28672	1.5
58.56208	1.5
60.58439	1.8
61.02907	12.9
64.70098	1.7
68.75520	1.8
71.01343	15.7
71.01697	1.6
74.05330	1.9
75.04467	33.9
81.06322	1.9
87.04449	15.6
88.67597	1.7
89.02349	2.6
92.08719	2.4
94.35423	1.9
103.03919	40.2
131.03371	12.8
135.26570	1.9
159.02849	75.9
172.25661	1.9
187.02353	10.6
219.04959	100.0
231.76421	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	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01859	2.2
55.05507	25.8
57.03431	9.3
58.84143	0.4
59.04990	0.7
59.82006	0.4
61.02915	11.1
61.91892	0.4
63.82693	0.4
64.33518	0.5
67.05500	0.6
69.03414	25.4
71.01322	0.8
71.04961	2.7
71.11478	0.4
73.02900	5.0
73.06535	38.5
81.03402	7.5
81.51768	0.4
84.08178	0.4
85.02889	100.0
85.06539	2.0
86.94605	0.5
87.04453	3.4
91.03941	2.8
91.07574	3.8
97.02872	21.1
99.04426	4.8
99.32700	0.5
101.02361	0.8
101.99866	0.4
109.02860	8.5
109.55860	0.5
115.03903	1.2
120.08088	4.3
127.03894	15.7
145.04944	14.6
150.45653	0.4
151.22588	0.5
151.27898	0.5
159.02948	0.6
163.06006	2.8
188.92555	0.5
194.78665	0.5
225.34483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22773	0.7
50.57327	0.8
53.03943	0.9
54.99913	0.8
55.01863	3.3
55.05305	0.7
55.05512	13.0
57.03432	10.1
59.04984	1.8
61.02921	11.4
63.45799	0.7
69.03419	29.3
69.03803	1.1
71.04973	3.8
73.02926	6.0
73.03246	0.7
73.06541	85.0
81.03408	7.4
85.02894	100.0
87.04472	0.8
91.03934	3.3
93.14893	0.8
94.50837	0.7
97.02879	21.7
99.04453	4.0
109.02874	9.4
115.03870	1.1
117.40259	0.8
127.03896	15.3
131.38380	0.8
145.04950	12.1
153.05528	0.8
155.01869	0.9
163.06044	1.7
174.17644	0.8
181.60315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
55.05503	17.8
56.34439	1.1
56.96542	2.1
59.04983	1.8
62.96029	1.4
65.03919	2.0
67.05489	100.0
69.07056	13.2
71.04956	1.6
73.10706	1.3
79.05470	25.0
81.07032	91.9
83.08595	11.7
91.05450	9.4
92.09306	1.7
93.07019	21.7
95.04926	1.6
95.08579	75.2
95.43342	1.2
97.06519	7.2
101.48264	1.3
104.87691	1.2
105.07011	8.1
107.08556	13.6
109.10137	34.9
111.08057	1.4
117.95956	1.5
119.08561	7.6
121.10123	14.2
123.11691	8.4
130.46059	1.4
131.08568	2.5
133.10114	12.7
135.11682	6.3
145.10115	2.1
147.11676	2.4
149.13223	1.9
151.11220	2.0
159.11617	1.5
163.11105	1.7
205.98715	1.9
215.17943	8.8
233.19014	7.4
251.20003	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05503	15.7
56.96554	2.5
57.07048	2.4
57.10031	0.9
59.04987	1.3
64.57730	0.9
65.03937	1.9
65.10066	1.0
66.46822	1.1
67.05489	100.0
69.07053	11.7
71.08567	1.0
79.05466	23.3
81.07036	83.2
83.08604	10.3
91.05456	12.9
93.07025	17.1
94.26256	1.1
95.04951	1.6
95.08582	68.8
97.06500	6.3
97.99152	1.1
99.08124	1.1
105.06983	9.4
107.08568	12.9
109.10143	23.3
110.80022	1.1
111.08047	2.4
119.08553	7.3
121.10109	14.1
123.08093	1.5
123.11666	8.5
131.08551	5.4
133.10083	11.1
135.11656	10.6
137.09621	2.0
145.10144	2.1
147.11592	2.4
149.13246	2.5
151.11174	4.3
159.11655	1.7
191.64117	1.1
215.17911	8.3
233.18861	4.2
251.20044	15.5
254.94612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05500	19.5
56.96549	4.6
57.07067	5.2
57.31588	3.0
59.04995	2.8
59.53451	2.7
61.27069	2.4
67.05483	41.9
69.07049	12.1
79.05463	29.6
81.07042	49.5
83.08621	5.0
91.05471	19.4
93.07024	34.1
95.04929	4.6
95.08569	40.7
97.06518	5.2
97.10216	3.5
103.28798	3.4
105.07007	27.2
107.04924	4.2
107.08566	27.6
109.06504	5.0
109.10146	24.1
111.08075	6.5
117.06989	17.1
119.08551	57.5
121.06506	11.9
121.10117	23.4
123.11745	3.6
125.05968	21.7
131.08539	14.0
133.10136	40.6
139.07535	29.9
143.08545	18.1
145.06442	12.4
145.10078	40.1
147.08023	5.9
147.11763	3.5
149.09592	4.9
157.10167	4.4
158.10858	4.7
159.08069	4.7
159.11702	16.8
163.07521	28.6
169.10155	4.5
172.12465	3.7
173.09607	11.6
173.13298	3.4
182.10968	3.9
185.74896	3.6
187.14742	26.1
191.10759	4.1
197.13303	14.6
205.15939	4.6
215.14264	58.6
233.15346	52.9
251.16177	100.0
263.47598	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05506	20.5
57.07062	3.3
63.00422	1.6
67.05473	4.0
67.19837	1.5
69.07041	10.5
74.44252	1.7
76.39309	1.5
79.05457	3.4
81.07034	8.8
83.08596	2.6
86.27375	1.7
91.04763	1.5
91.05472	8.0
92.08872	1.9
93.07018	12.0
95.08587	22.1
97.10161	2.7
105.06983	15.9
107.08562	18.5
109.10161	16.6
117.24474	1.5
119.08555	30.0
121.10094	14.3
123.11651	1.8
127.96974	1.7
133.10104	44.9
135.11670	6.0
146.78114	1.7
147.11658	25.8
149.13185	1.9
153.09064	2.5
159.11728	2.5
159.87712	1.8
161.13181	13.8
167.10666	6.8
174.13983	1.8
175.14786	6.9
193.12154	2.0
196.92903	1.9
200.18207	1.6
203.17920	100.0
221.18912	3.3
231.77718	1.7
249.18439	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1595
Annotation	S(-)-Pindolol
Peak:m/z	Relative Intensity
51.69744	0.5
55.05494	0.6
74.13558	0.5
87.88694	0.5
91.05421	1.0
93.07031	0.7
95.08569	0.7
100.11211	0.6
103.29382	0.5
105.03323	0.9
105.07001	0.9
108.84659	0.5
111.04386	0.6
112.72560	0.6
129.06976	0.8
131.08505	1.1
141.07079	0.6
145.02823	0.7
146.08310	0.9
157.06409	0.8
159.07979	1.3
159.09148	3.0
173.10683	11.6
174.11476	85.5
175.12306	6.4
187.12245	5.7
188.13063	8.5
188.71155	0.7
189.13794	2.8
203.15396	100.0
204.07744	0.8
205.16936	2.8
216.12564	4.9
223.63936	0.6
231.14857	63.8
249.11261	3.6
249.15910	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01870	1.0
55.05487	1.0
56.96558	1.3
59.04948	1.0
59.70709	0.9
67.41142	1.0
69.03403	1.6
72.60464	0.9
79.05485	1.3
83.04951	1.1
85.02859	1.1
87.28458	0.9
91.05463	12.8
93.06999	1.3
95.04900	0.9
95.08569	1.6
97.02853	1.1
98.97547	1.9
103.05434	1.5
105.03354	1.7
105.06982	8.6
107.04911	2.1
107.08576	1.1
109.06523	1.1
115.05460	10.2
116.06199	6.4
117.06975	6.2
118.07714	1.3
119.08556	1.1
121.06506	1.4
128.06190	19.9
129.06044	2.0
129.06973	38.5
130.07764	2.1
131.04890	4.0
131.08537	29.4
132.05669	4.7
133.06465	4.7
133.10104	2.2
141.06960	17.4
142.07780	9.3
143.08537	5.7
144.05690	18.5
145.06453	12.8
146.07253	9.8
147.04387	3.6
147.07997	1.2
152.06206	1.6
153.06984	4.7
155.05942	1.7
156.05699	3.8
157.06470	16.8
158.07222	3.9
159.08026	47.0
159.09312	2.1
160.05164	1.6
161.05946	5.5
161.09569	8.7
169.06328	2.4
169.07581	5.3
170.07234	19.4
171.04378	2.1
171.07993	8.8
172.05104	6.4
173.05969	5.0
173.10715	2.3
174.06728	6.2
174.10078	1.7
174.11496	38.0
175.07472	7.3
175.12306	4.7
176.13049	1.2
177.05392	1.2
178.06227	1.2
185.05989	1.3
186.06801	1.8
187.07483	23.3
188.13014	4.6
189.05486	9.2
189.09047	10.8
190.06261	1.3
190.09920	1.3
191.06992	1.9
198.06726	2.4
199.07443	3.7
201.05420	1.9
203.06961	10.9
203.15417	38.0
204.07779	22.0
205.08615	1.5
206.09314	1.8
216.07800	6.5
216.12529	1.4
218.09343	1.5
221.11742	4.4
231.10107	9.7
231.14894	26.3
234.08748	1.2
243.08852	1.5
249.11154	100.0
249.15831	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	249.1119
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
56.69707	0.6
57.03420	1.0
58.18480	0.6
60.55080	0.6
64.32737	0.6
64.33684	0.6
65.67016	0.6
69.03407	1.3
79.10762	0.6
91.05466	13.0
92.08810	0.9
103.05460	1.5
105.06992	5.3
107.04916	3.4
115.05435	10.3
116.06208	7.4
117.06993	4.9
121.06411	0.8
128.06200	17.9
129.06973	37.3
130.07784	1.5
131.04875	4.2
131.08539	31.7
132.05667	1.6
133.06500	5.9
133.10112	3.0
139.05455	1.2
141.06975	16.6
142.07765	9.7
143.04857	1.1
143.08549	5.8
144.04620	1.0
144.05679	19.4
145.06465	10.6
146.07196	5.2
147.04347	1.1
147.07964	0.9
152.06186	2.6
153.06960	3.2
155.06026	1.3
156.05663	3.8
157.06451	18.1
158.07254	5.7
159.08014	47.0
160.05191	1.2
161.05949	8.6
161.09592	9.5
166.58762	0.7
167.07018	0.8
169.06435	3.1
169.07593	4.6
170.07211	19.4
171.04344	1.7
171.07985	11.7
172.05168	5.7
173.05949	7.8
174.06718	5.3
175.07530	6.4
178.06224	1.1
185.05922	1.7
186.06668	1.2
187.07487	22.5
188.08243	2.6
189.05434	7.5
189.09050	10.0
190.06201	1.5
191.06958	3.4
195.39215	0.6
198.06706	3.5
199.07503	3.4
201.05428	1.6
202.06157	0.9
203.07025	12.5
204.07773	22.8
205.08569	1.6
216.07771	6.7
218.09309	1.2
221.08101	0.9
221.11690	1.6
231.10054	8.0
249.11143	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	249.1117
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
54.81968	1.4
54.88397	1.2
55.17525	1.1
56.42376	1.2
56.96535	2.0
57.03410	2.8
59.43430	1.3
60.83957	1.2
69.03391	2.0
85.02861	1.5
91.05464	16.7
92.08690	6.3
92.09307	4.8
98.97531	3.2
103.05447	1.8
105.06999	12.7
107.04901	2.9
115.05419	9.3
116.06187	7.5
116.98546	1.6
117.07000	3.2
122.70544	1.4
126.13682	1.4
128.06186	20.6
129.06972	44.6
130.07782	3.1
131.04903	3.0
131.08531	34.1
132.05673	1.5
133.06451	5.4
139.05376	1.4
141.06950	15.9
142.07755	10.6
143.08620	4.2
144.05685	18.4
145.06425	13.8
146.07211	5.6
153.07039	1.6
155.06007	2.0
156.05621	3.0
157.06429	19.4
158.07243	5.7
159.08012	48.1
160.05174	2.2
161.05966	7.9
161.09613	10.6
169.07545	6.0
170.07216	20.0
171.04570	1.9
171.07932	12.4
172.05165	7.3
173.05943	6.3
174.06723	2.4
175.07484	7.2
178.06169	2.1
179.03778	1.6
185.06030	1.6
187.07497	25.9
188.08214	2.1
189.05429	8.2
189.09050	12.8
191.07097	3.2
198.06793	3.0
199.07552	2.1
201.05386	1.9
203.06979	15.5
204.07776	22.0
205.08691	1.6
206.09384	1.6
216.07779	7.0
219.10104	1.6
221.11711	2.1
231.10092	7.6
242.63976	1.4
249.11159	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	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.22857	0.7
52.86033	0.6
55.05502	1.0
56.05779	0.7
58.69537	0.6
59.04987	1.2
67.05463	1.2
69.03414	0.9
70.73065	0.7
79.05473	1.8
91.05470	13.3
93.07021	1.6
97.02893	0.8
103.05456	1.4
105.07014	8.6
107.04952	3.1
115.05451	10.3
116.06230	6.1
117.07003	6.3
119.04966	0.9
121.06541	1.1
128.06206	16.4
129.06981	44.2
130.07777	3.6
131.04883	3.7
131.08537	31.5
132.05690	3.2
133.06444	6.0
133.10083	1.7
141.06963	23.0
142.07755	9.6
143.04889	1.1
143.08540	6.1
144.05681	20.7
145.06487	9.4
146.07220	7.4
147.04456	1.5
147.08060	2.1
151.57562	0.8
152.06142	1.5
153.06967	4.6
153.38675	0.9
155.06052	3.0
156.05647	4.9
157.06470	17.8
158.07251	5.2
159.04388	1.0
159.08022	47.4
160.05188	3.7
161.05975	8.5
161.09602	12.3
167.07030	0.8
167.22604	0.8
169.06403	3.8
169.07582	5.7
170.07243	16.3
170.21912	0.9
171.04456	1.3
171.07959	9.6
172.05159	9.0
173.05905	6.5
174.06754	5.1
175.07539	6.0
184.05132	1.8
187.07489	26.1
188.08282	1.3
189.05484	8.0
189.09100	11.7
191.07002	1.4
192.07813	1.1
198.06743	4.4
199.07552	4.2
201.05415	4.3
203.06999	13.0
204.07802	25.6
205.08525	1.2
206.09320	1.7
216.07780	7.5
217.08577	1.7
218.09384	3.4
219.10136	1.2
221.08180	1.2
221.11734	2.1
231.10094	8.0
234.08752	1.1
249.11169	100.0
254.06857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38254	0.8
57.06567	0.8
82.99767	1.2
85.98454	0.8
91.63561	0.9
101.00858	30.8
103.02360	1.0
113.00891	1.4
115.74609	1.0
119.01893	100.0
131.01877	10.0
137.02924	21.8
143.01883	8.9
145.03452	6.8
149.02902	1.4
151.08507	0.9
159.01323	9.3
161.02934	41.7
177.02386	13.6
179.04002	1.6
189.02429	18.7
191.03970	2.0
201.02475	3.7
207.03471	9.7
219.03465	4.2
249.04465	14.7
267.05569	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81445	7.3
55.91214	6.1
58.11002	6.1
62.30281	6.6
70.04684	6.6
71.51402	6.5
71.65423	7.0
86.44901	7.8
120.28425	7.7
207.10408	7.5
242.83040	9.4
249.03647	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	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03947	1.3
54.81886	1.4
55.05505	23.4
57.07067	6.9
62.57417	1.3
65.03925	1.3
67.05505	13.9
69.07056	9.2
79.05486	13.8
81.07045	17.2
83.08609	5.5
91.05460	29.8
92.64730	1.4
93.07025	41.2
95.08584	34.4
104.99258	5.7
105.07012	64.2
107.08586	53.3
109.06505	2.8
109.10173	8.0
113.55010	1.3
117.07010	11.4
119.08566	60.3
121.10126	12.3
129.06984	3.0
130.07797	2.3
131.07690	1.4
131.08542	67.4
133.10104	100.0
135.08046	2.9
135.11719	2.5
139.07529	2.2
143.08551	2.5
144.09283	2.5
145.06448	1.8
145.10110	58.8
146.10916	1.7
147.11678	12.7
149.05942	1.7
149.09595	7.8
151.07562	2.3
155.08507	1.5
157.10144	8.7
158.11018	1.5
159.08029	7.4
159.11678	53.1
161.13217	7.9
163.07478	12.2
165.09116	3.1
170.19159	1.6
172.12425	3.2
173.09610	3.2
173.13226	23.5
175.14856	2.5
177.09067	54.9
179.10651	2.1
186.14140	1.8
187.11075	1.9
187.14822	1.6
201.16360	85.6
203.17987	8.3
219.17331	1.7
225.16789	1.4
226.38876	1.5
229.15816	11.7
247.16878	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05504	12.9
60.80121	0.8
67.05492	6.5
69.07060	10.4
70.15520	1.0
79.05476	7.3
81.07037	9.9
83.08591	2.0
91.05457	18.6
92.09262	1.1
93.07021	27.0
95.04972	1.1
95.08578	20.5
105.07009	38.5
107.08574	29.5
109.06497	2.0
109.10131	7.2
115.05460	0.8
117.06970	8.6
119.08550	46.7
121.10117	10.4
128.06238	1.0
128.48270	1.0
129.06970	1.6
129.34595	0.9
130.07739	1.6
131.08543	48.3
133.10101	74.4
135.08043	1.2
143.08566	1.8
144.09311	1.8
145.06526	1.3
145.10098	51.0
147.11679	11.0
149.05972	1.2
149.09615	6.8
151.07504	3.9
157.10115	4.9
158.10866	4.0
159.08060	6.3
159.11658	38.2
161.13229	6.9
163.07542	4.6
165.09053	1.0
171.11676	3.7
172.12469	2.1
173.09625	3.8
173.13255	18.3
175.14795	1.2
177.09074	37.4
179.10620	1.1
186.14043	1.7
187.11194	2.0
191.10631	1.3
201.16350	100.0
203.17975	6.7
219.17339	3.6
229.15839	7.1
230.28888	0.9
247.16864	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	247.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
72.36540	23.0
81.08192	18.4
92.09013	100.0
96.80265	17.4
149.73274	18.2
152.33199	19.2
180.22656	19.5
218.12900	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44527	1.8
57.16585	2.2
63.28644	2.2
70.23350	2.4
85.99678	2.1
92.08725	2.6
97.83940	2.4
107.03553	2.2
107.23225	2.4
136.31221	2.7
219.12434	2.2
229.03108	28.0
244.40828	2.8
247.04176	100.0
249.58319	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	246.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05495	1.8
56.96544	0.6
57.03419	0.4
57.07078	0.2
65.01147	0.2
65.03950	0.2
65.46449	0.2
65.74075	0.2
66.27694	0.2
66.86018	0.2
67.05479	0.4
68.05016	0.2
69.03399	1.5
69.07044	0.7
70.25641	0.3
71.04973	0.5
74.56624	0.3
75.80520	0.2
79.05466	7.5
80.04993	0.5
81.05779	5.8
81.07033	6.9
82.02918	0.3
82.06541	0.5
83.04956	0.5
85.02892	4.0
87.04441	0.4
94.06544	2.5
95.04983	0.4
96.04485	0.5
96.08105	28.7
97.02888	0.7
98.97554	1.6
103.62908	0.3
105.63874	0.3
106.06525	3.1
107.04929	0.5
115.03925	0.3
116.98589	1.2
117.86057	0.3
124.07560	100.0
128.72581	0.2
128.98534	0.3
131.08580	0.3
136.90935	0.3
136.91896	0.3
167.07034	2.0
197.87099	0.3
200.07312	1.3
218.81169	0.3
219.01599	0.3
231.45990	0.3
246.07864	4.8
246.17015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	Ile Ile
Peak:m/z	Relative Intensity
51.43300	0.1
53.03930	0.2
54.85523	0.2
55.05503	3.0
57.03415	0.3
59.04993	0.4
68.34598	0.2
69.03416	1.9
69.07038	0.5
71.04967	0.2
72.93762	0.9
81.03393	0.3
81.07044	0.3
83.04967	2.8
84.49568	0.2
85.02900	1.2
86.06068	1.8
86.09690	100.0
90.94809	0.4
91.05483	0.2
92.09028	1.2
92.29401	0.2
93.07009	0.4
97.02869	1.2
97.06500	0.2
98.97557	0.5
102.96823	0.3
107.08531	0.3
109.02904	0.3
114.05523	0.3
116.98601	0.4
121.10121	0.2
127.03872	0.4
132.10172	4.3
139.32681	0.2
142.03239	0.2
147.04346	0.2
148.92310	0.2
167.97141	0.4
199.18091	1.0
209.70061	0.2
213.32091	0.2
245.18529	6.4
267.32828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.38637	0.2
51.73224	0.2
55.05501	0.6
57.05797	0.3
66.25232	0.2
67.05490	0.3
67.84232	0.3
69.03417	0.6
69.07053	14.7
72.93773	2.3
81.07038	0.4
83.04959	1.3
83.08602	0.2
85.02891	0.3
86.09689	100.0
90.94807	2.0
91.05457	4.1
95.08566	0.5
97.02820	0.4
97.06493	0.3
98.97551	0.3
102.96922	0.3
107.08571	0.6
116.98621	0.4
119.08625	0.4
129.07008	0.3
131.08629	0.3
132.10188	1.4
149.96124	0.5
159.74066	0.3
167.97142	1.2
179.14275	0.4
190.98772	0.4
199.18053	0.3
201.22879	0.3
212.11703	0.3
245.18517	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	244.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.9
53.03915	1.1
55.01852	2.7
55.05494	1.1
55.93486	1.3
56.96535	1.5
57.03412	1.2
57.07066	7.3
57.22519	0.7
60.05351	0.7
60.05632	19.4
67.05486	14.3
67.52753	0.6
68.04992	2.9
69.03394	1.3
69.07048	50.3
70.06209	0.8
70.06574	25.3
71.04972	58.0
72.24206	0.6
72.93777	5.3
79.05468	1.1
81.03373	1.1
81.07016	3.0
82.02924	18.3
82.06544	4.2
82.07372	0.8
83.04945	1.3
84.04467	1.4
84.08131	1.7
84.46076	0.7
85.02904	1.0
85.06522	29.0
86.09692	1.1
87.04452	0.9
88.07618	5.2
89.94016	0.9
90.94790	6.3
91.05434	0.7
93.06995	0.9
94.06519	2.9
95.04924	3.3
95.08550	3.2
96.04469	20.8
97.02866	1.0
97.06525	0.8
98.97559	1.6
99.04414	5.6
108.95832	1.7
110.05985	1.1
110.09656	12.2
113.07111	0.7
113.96319	0.7
114.05502	23.0
116.07063	0.9
116.10727	0.8
116.98566	3.3
117.05453	11.6
119.01837	1.1
120.08083	1.6
121.06406	0.7
122.06017	5.8
122.10339	0.7
126.05465	2.7
130.09731	100.0
131.08127	0.9
132.75594	0.7
134.08092	19.7
134.78009	0.8
134.99641	1.0
138.09106	43.2
147.04327	1.2
149.96094	4.4
150.29247	0.7
159.07541	1.7
161.01167	0.8
166.08629	2.8
167.97151	5.5
172.97661	1.8
176.10258	88.2
180.10123	1.4
190.98763	0.8
198.11214	70.8
198.16071	5.0
199.15190	1.4
204.98125	0.8
225.08226	0.8
227.14700	1.4
244.11841	14.8
244.16486	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07070	0.8
53.00313	1.2
53.03931	2.3
55.01873	2.7
55.05489	1.5
56.05028	1.2
57.03420	2.2
57.07069	10.3
59.04996	1.0
60.05633	11.0
67.05499	21.5
68.04996	1.8
69.03434	0.9
69.06711	1.7
69.07053	30.2
70.06577	15.8
71.04977	32.2
71.29802	0.9
72.20479	0.9
72.93756	3.9
81.07034	3.5
81.16489	0.8
82.02927	26.1
82.06561	6.9
82.07336	1.3
83.04958	1.8
84.04462	1.5
84.08141	1.2
85.02894	1.2
85.06529	34.0
86.09709	1.0
86.86224	0.9
88.07603	2.3
90.61762	0.8
90.94786	1.9
94.06538	3.9
95.04933	4.0
95.08587	5.6
96.04475	37.4
98.97530	3.8
99.04409	3.6
107.08598	1.2
110.09655	17.9
114.05510	28.1
116.98656	1.0
117.05457	6.0
122.06024	7.6
126.05508	4.4
130.09738	45.2
134.08096	9.3
138.09122	63.8
139.53468	1.0
147.04425	1.1
149.69257	1.0
149.96085	1.1
158.99669	0.9
166.08563	4.0
167.97147	3.7
176.10287	41.9
198.11227	100.0
198.16122	2.3
199.15157	2.0
227.14708	1.6
244.11803	21.6
244.16510	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04652	0.2
56.96555	0.5
60.23297	0.2
65.23623	0.2
82.01416	1.2
84.08176	0.2
88.16267	0.2
92.08907	0.3
98.97565	2.0
100.02457	5.9
101.00845	11.4
102.00963	0.2
114.36832	0.2
116.98553	1.8
118.03478	3.0
119.01891	100.0
120.01962	3.6
120.97889	0.3
121.01612	0.4
124.02408	0.4
131.01826	0.3
134.99637	1.5
137.02927	44.1
138.03000	1.7
142.03474	14.7
143.01865	0.3
143.03641	1.1
145.98677	0.3
157.49434	1.4
157.99529	0.5
160.04532	6.6
161.02917	14.7
161.04335	0.6
166.99185	2.6
167.49179	0.9
169.49356	0.3
169.99466	0.4
171.00159	0.5
174.98625	0.4
175.99596	0.3
177.00920	2.2
178.01009	9.5
178.49792	6.8
178.99828	3.0
179.03967	31.8
179.98016	1.3
184.04485	1.9
187.50114	1.5
187.99982	0.3
190.00299	2.1
190.50342	0.5
196.94429	0.3
197.99037	3.3
202.00916	0.3
202.05574	2.1
203.00508	0.2
203.03960	1.1
206.47308	0.5
206.97255	0.3
214.95596	2.6
215.95395	1.8
218.04152	1.4
218.47728	0.5
218.97908	0.3
219.02010	1.1
220.02072	10.3
221.01939	1.8
221.04941	2.1
226.00929	0.2
230.48547	0.3
232.96533	2.8
233.96684	1.4
234.96297	0.3
237.97107	0.9
244.02107	1.6
255.98119	0.5
256.96341	1.6
258.96399	0.5
262.03113	26.3
263.02777	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	244.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22917	0.5
53.66310	0.5
61.91115	0.5
70.06551	1.1
73.93372	0.6
84.04497	1.4
88.27913	0.6
92.64217	0.6
95.02422	3.0
96.04473	0.6
112.05068	100.0
116.07046	1.1
123.07876	2.6
244.05730	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	243.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.1
55.05715	1.4
56.65609	1.5
57.07058	6.0
61.88899	1.2
64.67494	1.6
67.05492	31.4
69.07030	7.9
70.27648	1.2
71.04920	2.0
73.83221	1.4
79.05486	19.1
81.06609	1.9
81.07042	45.0
83.08607	3.5
91.05468	30.0
92.08721	1.7
92.09183	3.4
93.07019	23.9
95.08078	2.1
95.08585	29.3
105.07013	26.9
105.90643	1.8
107.08565	10.7
109.10140	14.3
117.06995	14.1
119.08553	24.6
121.10120	16.7
123.11691	2.8
123.46734	1.5
131.08543	30.3
133.10089	22.6
134.76707	1.6
135.11659	9.1
145.10112	27.1
147.11658	25.9
149.13243	6.3
159.11693	17.6
161.13203	30.0
173.13234	25.0
175.14758	6.2
187.14824	12.0
201.16345	8.0
242.28308	6.7
243.13481	7.7
243.15810	6.2
243.21028	100.0
243.28702	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	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.96506	0.6
53.03942	1.8
55.01865	1.1
56.96552	1.0
61.02921	10.5
63.98879	0.7
65.03926	9.8
67.05488	3.9
69.03421	1.5
69.76511	0.7
77.03931	1.1
79.05476	7.0
81.07062	6.2
82.04185	3.1
85.02880	5.2
91.05467	17.8
92.65128	0.8
93.03369	1.7
93.07060	0.8
94.04156	1.0
95.04951	18.0
95.08576	1.3
97.02854	1.3
97.06526	1.2
98.97580	1.2
100.16562	0.7
103.05460	1.3
105.03391	3.5
105.04513	0.9
107.04930	6.4
108.02085	1.2
109.06498	16.5
109.28284	0.7
110.03661	5.1
111.04417	1.5
119.04945	6.5
121.02863	3.3
121.06420	0.9
122.03652	1.5
123.04419	10.7
125.02331	5.8
125.05992	1.4
133.02831	11.5
135.04378	6.5
137.05965	21.1
138.03108	3.4
140.04666	100.0
146.03673	0.8
147.04402	6.0
148.52716	0.6
149.01187	3.1
149.02344	1.0
152.04636	1.7
153.05446	4.9
155.07002	35.1
159.34523	0.7
163.03905	6.2
165.01770	1.6
165.05479	12.4
167.06947	0.8
167.94789	0.7
169.89539	0.8
171.06508	5.8
173.08086	3.4
179.07022	6.9
180.04150	19.6
181.04926	57.3
183.06490	1.0
192.04161	1.5
193.04958	10.8
195.06522	6.3
197.08066	3.3
207.06509	15.5
225.07579	8.6
243.08719	9.7
264.26636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50927	0.6
54.34483	0.7
54.81750	0.7
56.96554	11.7
57.03419	1.6
60.04509	0.9
61.02914	1.1
71.10223	0.7
73.02905	1.7
81.03394	1.8
85.02881	1.7
92.08780	1.1
93.20097	0.8
94.87452	0.8
98.97563	23.6
98.98446	1.6
100.02406	0.8
100.97182	1.5
101.00861	3.8
116.98596	21.1
118.03525	0.9
118.98212	0.8
118.99031	0.9
119.01901	39.2
120.01944	1.5
121.01624	3.3
124.99104	1.8
127.00718	1.2
131.01057	2.6
131.01921	1.3
131.99950	1.5
132.02641	5.7
132.52716	1.1
134.99640	21.7
136.00012	1.3
136.99181	3.2
137.02937	14.9
137.99718	1.1
138.00740	1.0
139.02551	1.0
140.01563	6.8
141.00395	0.8
142.03502	7.7
143.00125	12.0
143.01004	1.1
143.01913	1.3
144.02631	3.4
145.00735	6.9
145.03435	13.7
152.01559	5.1
153.00705	4.0
153.97520	1.1
154.01241	5.7
154.94168	1.0
155.00139	1.1
155.02914	4.2
155.53033	1.2
156.97501	9.4
157.00728	1.2
157.03384	0.9
158.97176	27.9
158.99857	1.0
159.02353	1.2
160.04498	14.9
161.01132	13.2
161.02950	4.1
162.01036	0.9
163.01791	4.2
163.04492	3.4
164.02446	1.2
165.02327	6.2
165.97920	3.5
166.01299	4.8
166.99228	0.9
167.02846	1.7
168.02826	1.0
168.97456	3.7
169.03432	6.8
172.95221	3.3
173.03046	2.3
174.02788	1.1
174.98517	5.5
175.01762	5.9
175.98473	4.0
176.02666	1.1
176.98265	48.0
177.00880	43.5
177.02393	1.4
177.46436	1.2
177.96375	1.3
177.97939	5.0
178.00830	0.9
178.05522	9.6
178.48032	2.8
178.49644	1.1
179.00063	1.4
179.02200	3.8
179.04082	1.1
179.49780	4.6
179.53122	1.3
181.02701	1.3
181.98804	0.9
183.97935	1.2
185.96909	6.5
186.46945	3.4
186.96892	6.6
187.02818	1.8
187.04510	6.9
188.02563	23.4
188.97757	1.3
189.01573	4.0
189.97853	1.8
192.98624	3.4
194.47614	1.0
197.01395	1.1
197.03053	6.2
197.47748	1.4
197.97722	1.6
198.47481	1.0
200.98122	6.8
201.00128	5.0
201.98227	1.2
209.03165	3.2
210.98746	1.7
211.03740	5.3
211.53873	1.1
214.96309	4.9
216.96632	1.3
216.98697	3.9
217.04005	5.6
218.99358	17.3
219.01964	44.3
219.99802	4.3
220.02138	4.1
223.02788	6.6
231.00255	1.1
232.03287	8.0
232.96576	6.2
234.99635	1.3
237.98869	1.5
243.01953	6.9
245.03374	1.1
254.94254	1.1
256.96634	1.5
261.03006	100.0
262.03436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81708	0.5
56.96557	0.7
57.07068	5.4
57.31630	0.3
58.06585	2.2
69.37453	0.4
74.09698	1.7
79.87229	0.5
86.09694	0.5
92.08562	0.9
98.97569	6.1
99.97867	1.5
100.11232	20.3
116.98602	5.6
117.98928	2.1
118.96718	2.4
128.14333	2.3
130.15904	7.0
134.99629	5.3
136.00012	1.6
142.15894	59.3
153.00720	0.8
154.96400	0.6
158.01085	0.4
160.46643	0.4
177.98027	1.6
184.20587	9.4
186.22131	18.9
242.28375	100.0
248.10219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19731	5.7
57.05455	5.2
59.39585	5.2
60.08178	5.7
92.08797	15.0
92.09327	8.4
94.92985	25.4
95.45539	5.7
100.21684	5.7
104.10715	100.0
104.95133	5.5
122.96318	8.3
149.54747	6.0
166.44908	6.4
176.93481	80.5
224.95615	14.3
242.96629	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
51.59293	0.2
52.73373	0.2
53.23509	0.2
53.76473	0.2
54.25984	0.2
58.06591	23.3
70.06580	3.5
71.04975	0.3
72.08137	0.4
81.03391	0.4
83.05010	0.3
84.08128	13.3
85.06510	0.3
92.08781	0.5
92.09288	0.4
98.06000	0.4
98.09673	1.7
98.97556	1.5
100.11239	0.4
114.05487	0.4
116.07026	0.3
116.10705	0.2
116.98581	0.9
128.10699	5.7
134.99609	0.2
144.10156	2.0
152.10686	0.3
168.10202	1.8
196.09668	7.6
213.15936	0.4
241.15424	100.0
264.42911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	17.1
57.03172	1.9
57.03428	29.6
59.04998	2.9
61.02899	2.3
67.44447	1.4
71.01337	22.7
71.04961	3.2
73.02888	19.3
83.01300	7.1
85.02873	7.3
87.00796	2.9
87.04449	31.1
89.02377	12.1
89.19698	1.4
92.08666	2.4
92.09183	6.5
101.01734	2.5
101.02354	47.7
103.03928	8.4
111.00790	2.9
115.03907	79.8
129.01816	92.2
129.47737	1.7
131.03368	1.9
133.04968	11.5
133.05820	1.4
141.01846	5.9
143.03354	32.5
147.02843	2.6
157.00049	3.0
157.01303	77.2
159.02838	1.6
161.04416	41.0
171.02838	3.8
175.02306	3.5
189.03903	100.0
207.04938	6.1
221.61295	1.5
224.07536	3.1
241.15446	2.1
242.15921	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	241.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.4
57.03421	1.8
58.06587	24.7
58.82176	0.3
63.34796	0.3
67.05479	0.6
69.03410	0.6
70.06566	3.5
71.04954	0.6
71.67527	0.3
72.08150	0.3
76.56932	0.3
78.30467	0.3
81.03397	1.3
82.39339	0.3
83.04939	0.4
84.08125	14.1
85.02879	0.4
85.06535	5.9
87.04436	0.3
96.47162	0.3
97.02848	0.7
98.06010	0.4
98.09654	2.1
98.97550	1.4
99.04480	0.5
100.05162	0.5
101.02357	0.6
114.05477	0.4
115.03902	1.2
116.07053	0.4
116.98563	0.4
126.05445	0.4
126.47182	0.3
128.10689	5.2
129.01787	0.6
134.05989	0.7
144.10172	1.3
151.04253	0.4
152.07034	1.3
157.01378	0.7
164.07047	1.6
168.10173	1.6
189.03906	1.8
190.80098	0.3
196.09663	7.4
213.15898	0.3
223.06328	0.5
241.15404	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	237.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01866	3.5
55.05490	1.0
56.96555	5.5
57.03435	7.8
57.07077	6.9
57.26268	0.7
61.02919	11.3
64.51346	0.8
69.03412	23.5
71.04983	1.6
73.02905	6.1
74.78020	0.9
76.86610	0.8
77.03906	1.9
79.05432	1.0
81.03403	9.7
81.07068	1.0
81.11423	0.7
83.04953	1.4
85.02888	100.0
86.09664	1.0
87.04474	1.2
90.52929	0.8
91.03937	4.2
95.04965	1.2
97.02878	23.4
98.97560	4.5
99.04418	3.9
101.02428	0.9
104.73029	0.8
105.03374	4.1
107.04948	1.2
109.02233	0.9
109.02847	7.8
113.00739	0.9
116.98610	3.9
117.03343	0.9
123.04371	0.9
124.99148	1.2
127.03897	14.9
133.02834	7.8
134.99670	3.5
135.04396	1.2
135.33139	0.8
143.00159	4.4
145.04927	15.5
155.14777	0.9
161.01199	4.3
163.03943	5.9
163.06059	1.0
179.03488	1.0
185.01199	1.3
203.02278	1.8
209.01138	0.9
231.01595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59512	0.5
53.03939	1.9
55.01867	7.4
55.85815	0.4
57.03426	17.1
59.04988	5.8
61.02630	0.7
61.02915	12.6
66.57442	0.5
69.03419	23.7
71.01346	4.2
71.04984	3.5
73.02905	6.1
73.93247	0.5
74.44786	0.5
74.89886	0.5
81.03400	7.8
83.01324	1.1
85.02892	100.0
87.04449	6.4
89.02394	0.6
91.03920	4.4
92.08914	1.0
95.01301	0.5
97.02871	21.3
99.04435	3.7
101.02366	8.8
103.03936	2.2
109.02871	9.3
115.03916	12.7
127.03893	13.1
129.01823	3.9
135.98982	0.5
136.07561	3.9
143.03400	3.1
145.04939	16.4
147.02737	0.5
157.01289	13.0
157.21552	0.6
159.51665	0.5
161.04433	1.0
163.05995	3.5
171.02896	0.9
175.02330	0.6
188.10797	0.6
189.03922	9.2
203.05467	0.9
207.05026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1118
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
55.57037	0.7
57.03427	1.0
57.97633	0.8
67.05502	1.0
68.23724	0.7
71.04958	0.9
79.05479	1.1
81.07040	3.8
91.05466	10.6
93.07003	3.0
95.08593	2.7
97.06496	0.9
103.05429	1.6
105.07016	4.5
107.08584	1.6
109.10167	0.8
115.05432	9.1
116.06213	3.4
117.06997	4.2
119.08538	1.6
121.10104	1.3
128.06184	11.8
129.06973	51.5
130.07764	1.9
131.04935	6.1
131.08545	36.5
133.10069	2.9
137.05956	3.5
141.05867	1.3
141.06972	33.8
143.04858	1.3
143.08539	3.0
144.05699	6.3
145.06488	7.7
145.10100	1.3
146.07222	4.6
148.05292	0.9
149.02301	3.4
155.06052	1.3
157.06462	23.6
158.07243	23.8
159.04372	4.1
159.08040	19.0
159.11656	1.4
160.05101	6.3
161.05971	1.3
161.09587	3.2
163.07474	1.1
168.05788	1.0
169.06445	11.8
170.07195	7.2
173.05936	5.0
174.06729	85.4
175.07494	11.1
186.06725	17.2
187.07578	1.2
188.08247	1.8
189.09077	78.5
191.10686	4.4
193.04936	1.5
201.09090	33.4
219.10124	100.0
237.07613	0.9
237.15704	3.7
237.18495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01861	2.6
55.05505	80.9
57.03424	25.7
57.07118	2.1
59.04988	5.1
61.02916	3.1
67.05478	11.0
69.03418	66.3
69.07067	7.4
71.01313	3.4
71.04979	3.5
73.69450	2.2
75.04441	3.7
79.05471	16.3
81.03355	2.4
81.07041	21.9
83.04953	15.7
83.08115	3.8
83.08601	100.0
83.56712	2.3
85.02889	38.5
85.06493	3.9
87.04447	35.2
89.06004	2.5
91.05460	19.5
93.07009	19.5
95.04958	4.4
95.08567	26.9
97.02879	27.6
97.06494	10.8
97.10118	3.7
101.05981	3.9
101.09618	36.1
105.06985	15.2
107.08559	25.4
109.06487	5.8
109.10135	4.8
111.04404	19.7
111.08055	39.8
115.03913	27.4
119.08512	4.6
121.06488	2.7
121.10081	9.8
123.08023	12.3
125.09579	10.4
131.08498	4.3
133.04871	18.4
133.10078	10.3
137.09592	18.1
137.13255	2.7
141.09068	9.7
143.10551	2.9
144.05557	2.4
149.09586	5.3
151.11119	11.3
155.07025	18.2
158.07265	3.3
161.09608	3.9
167.10631	18.8
173.08086	14.0
179.10617	16.0
197.11758	10.0
215.12845	10.1
217.10622	19.3
233.13736	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1589
Annotation	Talaromycin D
Peak:m/z	Relative Intensity
50.64257	0.8
55.05498	12.9
56.75861	1.1
57.03416	5.4
57.60526	1.0
67.05487	9.3
69.03410	1.3
69.07047	17.7
71.04971	5.5
72.32899	1.0
72.76742	0.9
75.04446	1.1
75.73080	1.1
79.05460	15.4
80.78086	1.0
81.07032	24.8
81.07480	2.1
83.04966	5.2
83.08601	5.5
85.06525	100.0
91.05453	6.3
91.63855	1.1
92.09277	2.1
93.07017	49.4
95.04881	1.3
95.08582	31.2
97.06497	11.7
97.10118	2.0
99.08065	9.5
102.06416	1.0
105.06999	4.9
107.08569	19.8
109.10151	4.7
110.85108	1.0
111.08016	2.2
111.11720	1.6
119.08553	7.3
121.10114	70.0
123.11717	2.3
125.06017	1.2
129.05418	4.8
131.08543	1.9
133.10054	1.3
135.07941	1.2
137.09560	1.5
139.11133	23.0
149.13220	16.7
157.12224	8.1
159.11655	4.8
167.14255	4.5
171.49326	1.2
177.12735	10.1
193.33640	1.1
195.13799	14.5
213.12830	2.1
213.14798	21.3
231.08275	2.2
231.15794	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	231.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
56.05005	0.8
56.44791	0.3
57.03420	0.6
57.07061	0.4
67.05473	0.5
67.24903	0.3
69.03423	0.5
69.07057	0.8
74.02427	11.2
78.63422	0.4
78.92925	0.4
81.07035	0.7
85.02877	0.6
85.35607	0.4
86.09669	1.9
91.05479	0.4
91.89704	0.4
93.07019	0.7
95.04945	0.5
98.97551	0.4
102.05509	1.7
105.07071	0.4
107.08588	0.4
115.05447	0.5
117.05739	0.8
117.07011	0.7
118.06524	5.4
130.06500	19.7
131.08475	0.7
132.08101	0.4
135.11679	0.4
141.07018	0.6
142.06506	0.7
143.07291	20.2
143.08452	0.7
144.08073	7.7
146.05989	14.8
154.06505	8.9
154.07689	0.7
156.08018	3.3
157.08829	5.4
158.09627	100.0
159.09050	0.5
167.07216	2.0
168.08049	27.5
169.08789	1.8
170.05925	0.4
170.09613	2.4
172.07564	2.3
185.10689	0.8
187.12166	0.5
188.07039	16.0
196.07503	1.9
214.08618	14.0
231.08423	2.2
231.11244	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	231.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09322	43.9
70.56001	36.9
76.47632	44.4
77.41216	43.3
82.33405	42.6
85.36440	42.9
92.09009	100.0
106.71808	43.8
202.10223	53.3
230.30861	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	231.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67950	1.9
52.93063	2.0
61.06697	2.0
92.08833	4.8
92.09338	2.7
119.40522	2.1
201.44022	2.4
231.08327	100.0
231.10516	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	229.1797
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05499	28.5
57.03437	1.8
57.07059	6.0
59.04982	4.0
62.18331	1.0
67.05486	25.5
69.03411	2.7
69.07055	18.9
71.04973	18.3
79.05472	7.1
81.07037	26.8
81.56433	1.0
82.61240	1.2
83.04967	5.7
83.08600	28.5
83.96210	1.0
85.06530	9.3
85.10157	1.1
87.04448	1.7
91.05442	9.2
92.08996	7.2
93.07021	27.6
95.04946	23.3
95.08585	58.2
97.06512	7.9
97.10114	1.0
99.04422	16.1
99.08073	100.0
105.07000	7.5
107.08572	36.5
109.06483	4.7
109.10140	77.4
111.08054	8.5
111.11706	2.0
113.05964	2.1
113.09646	4.3
117.09107	1.1
119.08566	16.2
121.10132	7.0
123.08004	4.4
123.11697	5.1
125.09592	1.4
127.07565	1.4
127.11170	9.3
133.10115	15.1
135.11668	51.4
135.12675	2.2
137.09595	20.0
147.11656	2.3
149.13263	2.2
151.11195	1.4
151.14848	1.3
153.12709	18.8
155.10641	24.0
167.07143	2.0
171.13823	5.7
175.14812	15.9
193.15852	12.0
211.14922	1.4
211.16893	39.4
229.17941	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	230.2476
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
51.03752	0.5
54.50093	0.5
55.30993	0.4
57.07067	24.2
58.06578	3.7
60.65944	0.6
62.06074	12.3
71.08613	10.9
85.10155	2.8
101.43745	0.6
182.12390	0.6
184.53798	0.7
212.23700	7.3
230.24754	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	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.75610	0.3
55.01862	0.6
58.06593	8.2
59.07370	2.8
60.08155	9.3
61.48474	0.3
64.38968	0.3
68.05003	1.8
70.06581	62.7
72.08128	0.5
96.08129	2.6
98.06042	1.4
112.81467	0.3
113.15969	0.4
114.05511	7.0
114.08611	0.3
114.09158	4.1
116.07063	2.0
124.07586	5.5
126.04526	0.3
126.09119	1.4
127.55750	0.3
142.08624	49.9
143.43933	0.3
167.44328	0.3
170.08086	2.5
229.15446	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	229.1433
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03925	3.5
55.01847	8.8
55.05500	59.2
57.03426	33.7
57.07058	1.7
59.04984	2.1
67.05490	58.9
68.64313	1.5
69.03416	13.7
69.07045	16.9
71.04975	15.6
79.05466	44.1
81.03394	100.0
81.06596	2.7
81.07036	60.8
83.04959	50.5
83.08599	33.2
85.02882	59.1
85.06496	3.7
91.05453	43.2
93.07017	26.6
94.06143	1.6
95.04936	37.2
95.08578	25.2
97.02887	3.6
97.06474	7.7
97.10129	10.3
99.04444	3.4
99.08031	2.0
105.06997	42.7
107.04899	7.6
107.08562	22.0
109.06454	11.3
109.10121	16.5
111.08034	12.8
113.05943	2.5
115.05407	1.8
117.07022	2.9
119.08543	29.5
121.10120	14.3
123.08062	11.7
123.11627	1.8
127.77180	1.7
129.06995	16.1
129.99812	1.5
131.08534	14.4
133.06453	2.5
133.10103	9.7
137.05905	1.5
137.09601	1.9
142.07756	2.4
147.08014	3.2
147.11649	13.2
149.09569	7.8
151.11147	2.1
155.08521	2.3
157.10100	15.0
165.12717	6.5
170.15552	1.7
175.11133	18.1
186.92709	1.5
193.12209	50.9
211.13234	43.6
228.23367	1.9
229.14131	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	229.1433
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
52.39685	1.2
53.03936	2.8
53.51203	1.4
53.94913	1.2
55.01857	6.9
55.05504	51.6
56.96550	1.8
57.03427	15.3
57.07072	2.0
59.04980	1.7
60.81120	1.3
65.03944	1.3
67.05493	40.3
68.18367	1.6
69.03400	9.9
69.07050	17.4
71.04981	11.4
79.05474	42.8
81.03400	100.0
81.07034	45.8
83.04965	53.8
83.08604	38.7
85.02890	32.9
85.06525	6.6
87.04440	1.7
91.05460	48.9
93.07022	29.1
95.04944	36.1
95.08587	15.3
95.09102	1.8
97.02866	3.6
97.06496	7.1
97.10153	11.5
99.08010	2.1
105.07020	32.8
107.04935	8.0
107.08579	13.2
109.06482	10.4
109.10116	7.4
111.04417	1.6
111.08042	14.0
113.05991	2.5
115.05377	2.0
117.07011	2.5
119.08559	23.3
121.10117	12.1
123.08021	2.6
123.11684	2.5
125.09568	2.6
128.06158	1.9
129.06999	15.1
131.08521	12.8
133.10083	15.2
139.98038	1.8
142.07784	3.6
145.10049	1.7
146.91824	2.6
147.07988	1.6
147.11636	15.0
149.09583	7.1
157.10091	17.3
165.12692	1.8
175.11113	13.7
193.12219	67.3
211.13263	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
56.96545	0.5
60.43860	0.5
63.92895	0.4
67.05511	0.7
69.03419	0.7
69.07063	1.1
70.06577	9.0
77.72910	0.5
78.04688	5.4
79.05471	2.2
79.32433	0.5
80.13245	0.4
85.02898	0.9
86.09686	16.7
91.05458	3.4
93.07012	1.2
95.04944	0.9
98.97548	1.0
103.05456	2.2
105.07024	1.0
106.04148	2.3
107.04953	0.8
109.06443	0.6
109.10001	0.5
116.07072	21.5
121.06481	2.3
123.04402	9.6
124.05178	4.1
125.06033	0.8
125.46872	0.5
126.37213	0.5
132.95726	0.7
134.03630	0.6
136.15944	0.5
137.05925	0.7
149.05962	2.2
150.96895	2.1
151.03999	0.7
152.04666	2.1
153.90793	0.5
161.05849	0.7
163.97690	0.8
167.06995	100.0
181.08589	1.9
193.08632	1.9
200.34944	0.5
205.98738	0.9
228.23196	0.8
229.15431	2.9
229.23528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79352	0.2
53.03930	0.2
55.01861	0.3
55.05508	0.4
59.06591	0.2
60.02558	0.2
64.28639	0.2
67.05479	1.7
69.03413	0.5
69.07059	2.5
71.04979	0.9
76.22124	0.2
79.05489	3.0
81.07038	1.6
83.08645	0.3
83.69936	0.2
91.05460	1.4
93.07015	2.4
95.04967	1.2
95.08591	1.2
97.06512	100.0
103.05429	0.3
105.07003	1.9
107.08598	3.8
109.06508	6.4
109.10121	1.6
111.08038	1.7
114.06319	0.2
119.08561	1.1
121.06479	1.4
121.10094	2.4
123.08029	0.4
123.11695	0.3
131.08583	0.4
133.10118	2.3
135.08034	0.3
137.09604	0.5
140.04675	0.2
145.10028	0.3
147.11615	0.2
149.05914	0.3
149.09612	0.5
149.13272	1.2
151.11113	1.5
163.14865	0.2
165.44829	0.2
167.07053	0.4
167.10742	0.3
169.12201	2.3
173.13271	0.5
177.05441	1.0
181.08670	0.3
191.14297	1.2
209.15398	0.2
227.16454	0.9
249.51878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.7
53.03920	1.4
54.12120	0.7
55.01849	0.7
55.05514	6.9
56.02630	1.4
56.96556	1.2
58.07339	0.8
60.53862	0.7
64.33123	0.8
65.30428	0.7
67.05490	17.8
69.03396	0.9
69.07041	4.9
71.04975	100.0
72.91041	0.9
79.05474	9.4
80.28241	0.7
81.03400	3.7
81.06587	1.5
81.07040	25.0
82.03722	4.4
83.08598	1.6
85.06522	1.8
89.03576	0.8
91.05466	3.9
93.07017	13.9
95.04940	1.6
95.08595	13.8
97.06513	3.8
100.11229	2.0
105.07015	1.8
107.08571	4.6
109.10165	1.1
111.08041	1.1
113.05944	1.4
114.06317	5.2
117.06985	4.0
121.01633	4.5
131.08528	4.5
133.10120	4.9
135.11693	6.1
135.40300	0.8
136.01161	0.8
137.37444	0.8
139.02638	3.0
140.38400	0.8
142.05824	5.0
149.13268	3.5
159.11644	4.9
167.07036	1.1
169.14616	1.0
182.90694	0.8
209.15240	1.4
210.10480	1.3
216.23981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03938	1.5
55.05507	11.4
57.03423	8.9
57.07058	6.5
59.04984	6.3
60.71548	1.3
63.95334	1.2
67.05482	11.9
69.03423	2.9
69.07053	16.5
71.04981	23.9
75.04481	1.5
79.05469	15.2
81.07036	28.7
82.79941	1.7
83.04947	3.1
83.08612	7.2
85.06532	6.3
91.05470	13.8
93.07019	22.7
95.04946	100.0
95.08578	22.3
97.06505	35.8
99.04431	8.2
99.08070	34.5
105.07018	34.9
107.08582	32.8
109.06497	57.7
109.07215	1.8
109.10132	15.7
111.08059	5.8
112.67098	1.5
114.06388	1.5
115.07574	8.4
115.99678	1.8
117.07026	1.9
119.08530	16.4
121.10105	31.3
123.08035	5.7
123.11650	8.0
125.09603	8.6
127.07511	13.3
131.08545	13.0
133.10097	46.3
135.08029	9.4
135.11674	7.3
137.09627	2.0
139.11139	9.4
143.08565	2.0
145.10089	6.3
147.11703	18.5
147.71460	1.5
149.09598	2.0
149.13249	11.4
151.11153	3.3
153.09093	25.6
158.10883	3.0
163.14787	3.2
167.07007	11.1
171.10065	5.1
173.13219	17.8
189.33450	1.6
191.14241	15.2
209.15353	14.7
227.16356	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.00276	1.0
53.03920	2.0
55.01872	1.6
55.05503	14.3
56.96540	2.2
57.03421	2.0
57.07055	2.8
59.04982	2.0
65.03886	1.0
67.05478	7.2
69.03410	15.7
69.07055	26.6
71.04962	2.9
78.97453	1.0
79.05489	13.7
81.03403	1.4
81.06598	2.0
81.07036	39.2
81.50379	1.1
82.03729	1.6
83.04939	6.4
83.08601	4.3
85.06526	1.9
87.04424	8.5
91.05466	9.1
93.07016	59.1
95.04949	25.9
95.08582	18.5
97.06494	16.3
97.10193	1.4
98.97544	4.9
99.04430	1.6
99.08039	5.4
101.46130	1.2
103.05453	1.6
105.03371	30.8
105.04433	1.4
105.06351	1.4
105.07008	20.8
106.03667	2.2
107.04932	1.3
107.08578	16.6
109.06496	9.9
109.10120	5.7
111.08056	2.2
111.11702	6.1
112.99042	1.3
113.06007	2.1
116.98591	2.3
119.08561	10.8
121.06496	1.5
121.10121	100.0
123.04433	4.6
123.08002	6.9
123.11676	42.5
125.09610	17.6
129.37532	1.2
131.08499	2.0
133.07590	1.5
133.10107	10.8
135.08025	2.7
135.11528	1.2
137.09593	2.2
139.07550	2.2
139.11136	2.6
141.82243	1.1
142.05814	1.4
147.11646	6.9
149.01215	2.0
149.09592	42.7
149.13222	2.5
151.11163	22.4
153.09045	8.9
154.09846	1.2
164.65326	1.1
165.12723	2.8
167.07007	26.0
167.10637	74.4
168.98044	1.9
173.13184	2.3
177.05383	1.7
181.04893	2.7
186.99109	4.5
191.14249	6.6
205.00047	1.2
209.15340	14.3
215.71484	1.3
219.01637	1.7
227.16409	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.48762	2.2
53.03927	6.2
55.05500	13.7
56.96552	17.4
57.03434	3.0
57.07063	2.5
67.05481	14.0
69.03413	40.6
69.07046	14.6
71.04974	11.9
73.23868	2.2
79.05464	10.3
81.07032	23.6
83.04966	14.5
83.08594	15.3
85.06541	14.1
91.05469	11.5
92.08676	3.1
93.07046	28.4
95.04951	59.6
95.08578	13.7
97.06511	17.0
98.97567	17.2
99.04426	4.4
99.08079	12.5
105.03377	100.0
105.07005	15.5
106.03728	5.9
107.08572	36.6
109.06524	26.3
109.10127	5.9
111.08070	5.2
116.28670	3.1
119.08565	11.1
121.06474	3.2
121.10126	33.8
123.11698	4.2
125.09603	82.1
131.00139	3.2
131.08551	4.6
133.10075	23.1
135.08061	12.6
135.11674	3.4
139.07535	4.4
145.10173	3.5
147.11676	10.6
149.01208	5.6
149.09593	47.2
149.13232	3.2
151.11165	15.4
153.09062	19.2
154.09883	5.1
167.07008	11.8
168.98058	10.2
173.13147	7.2
186.99098	14.7
191.14282	15.4
209.15366	31.8
210.10471	3.4
219.01830	3.3
227.16389	14.8
243.01680	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	227.0913
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
51.02375	0.4
51.63811	0.4
53.03925	2.1
55.01854	0.7
55.05503	0.5
56.61339	0.3
56.96553	0.8
57.03431	0.5
59.04976	0.4
64.51373	0.3
69.03392	0.7
70.09644	0.3
71.04975	0.7
72.82629	0.4
73.02875	0.4
78.04696	4.5
79.05470	3.0
81.03392	3.3
81.07034	0.6
82.03712	0.9
84.54939	0.4
85.02880	0.8
85.06505	0.7
89.03889	1.5
91.05463	9.0
93.07026	4.5
94.04169	0.5
95.04946	4.9
97.02885	0.7
98.97545	1.0
103.05453	9.5
103.18108	0.4
105.03356	0.6
105.04531	0.6
106.04168	3.8
107.04949	3.1
109.02852	0.7
109.06548	0.4
113.05960	2.1
114.06326	1.7
117.03347	1.7
119.04888	1.9
121.06486	15.2
122.03607	0.9
123.04420	10.7
124.05215	4.8
131.04889	7.8
133.02844	1.6
134.03603	3.3
135.04387	1.9
137.05963	8.8
140.04704	3.1
141.05432	0.5
142.05823	1.0
145.02803	0.6
147.04385	1.5
148.05191	2.4
149.05965	12.5
151.03877	2.3
152.04660	2.2
155.07016	1.4
159.04401	3.1
163.01688	0.4
163.03897	0.9
165.05440	0.8
166.06166	0.5
167.07001	100.0
176.04648	0.8
177.03951	0.7
177.05447	19.5
179.06915	0.6
180.07803	0.6
181.08456	0.6
186.04367	0.4
191.06937	0.4
194.05739	0.6
209.08122	4.3
227.06874	0.5
227.09070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
51.20731	0.4
53.03924	2.2
55.01850	0.7
55.05499	0.8
55.41544	0.4
56.96564	4.0
57.03423	1.0
58.46232	0.4
59.04982	0.9
61.02911	0.5
67.05480	0.5
68.23244	0.4
69.03413	4.6
71.04964	1.1
71.49149	0.4
78.04684	4.3
79.05448	2.1
80.61563	0.5
81.03397	4.4
82.03730	2.1
84.04454	0.5
85.02888	3.2
86.03176	0.6
86.06885	0.6
87.04441	0.8
89.03884	1.2
91.05458	8.5
92.08962	0.5
93.07011	3.3
95.04949	3.6
97.02856	3.2
98.97544	3.3
103.05441	8.5
105.03431	0.5
105.04456	0.7
106.04134	2.6
107.04942	4.6
109.02847	2.0
110.03176	0.7
110.97600	0.6
113.05991	2.2
114.06303	2.5
115.00689	0.9
116.98617	0.9
117.03370	1.2
119.04916	2.3
121.06478	13.9
122.03576	1.9
123.04391	10.8
124.05135	3.9
131.04921	7.0
133.01756	0.9
133.02780	1.9
134.03618	3.0
135.04391	0.9
137.05968	10.4
139.07417	0.5
140.04633	3.9
141.05424	0.6
142.05807	1.8
145.02831	1.1
147.04352	0.6
148.05153	2.4
149.05974	12.0
149.07098	1.1
151.03864	2.1
152.04630	2.5
155.06964	0.6
156.03326	0.6
159.04382	3.2
163.03868	1.1
165.05444	0.7
166.06271	0.7
167.06998	100.0
168.07169	0.5
170.05310	0.8
174.04314	1.1
176.04723	0.6
177.05472	19.2
181.08461	0.6
186.04384	1.0
191.06967	1.0
192.05418	0.6
195.05382	0.8
204.05472	0.9
209.08040	4.7
222.01958	0.6
227.09056	0.6
237.02658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96386	0.8
53.03938	13.1
55.05509	7.3
57.03425	1.2
59.05000	1.7
61.02907	5.8
69.03416	2.4
71.04978	20.2
75.04465	2.4
78.48101	0.8
81.03404	100.0
82.06183	1.2
85.02898	5.0
85.06529	21.7
86.16921	1.0
95.04942	12.4
97.02888	1.1
98.03658	11.1
99.04428	9.0
109.02870	35.3
113.05996	75.7
113.77658	1.0
122.31467	0.9
127.03907	4.1
141.05443	49.7
155.07024	4.3
160.01456	1.0
173.07994	1.8
191.09175	1.5
205.65263	1.1
209.10176	16.3
225.02548	1.1
230.75327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.60371	1.7
53.03939	2.7
54.82048	1.7
55.01875	3.9
55.05511	17.3
56.96546	1.9
57.07065	18.9
57.09501	1.5
58.71427	1.7
59.04981	7.5
65.03915	2.0
67.05496	45.4
69.03417	100.0
69.07051	18.3
71.04974	2.4
71.08604	3.9
75.63503	1.7
79.05476	35.2
81.03403	13.3
81.07034	60.5
83.04948	6.9
83.08616	4.2
87.04445	2.7
91.05464	25.8
93.07033	32.6
95.04959	24.9
95.08599	34.7
97.06534	7.9
103.05439	3.3
105.07019	88.4
107.04940	7.5
107.08569	26.7
109.02782	1.9
109.06503	28.5
109.10131	21.0
111.08077	3.2
113.06009	2.8
117.03455	2.2
117.07027	3.0
119.01918	4.2
119.04921	2.5
119.08566	47.1
121.06476	11.5
121.10118	39.1
122.07251	6.7
123.04374	16.2
123.08053	23.6
123.11728	3.5
125.09620	3.5
129.06940	2.7
131.08586	2.6
133.06493	17.5
133.10100	63.3
135.08020	3.1
135.11644	3.3
137.05986	9.8
137.09607	54.5
139.11188	16.9
141.05542	2.0
143.08565	3.6
145.02824	4.1
145.10081	8.5
147.08072	7.1
147.11668	38.0
149.09602	13.7
151.07536	4.6
153.09158	2.1
156.09352	10.2
159.08081	4.3
159.11748	3.2
161.13210	14.7
163.11166	7.5
167.07040	2.2
170.97768	2.0
171.11688	8.7
174.10355	13.9
177.05418	9.5
177.12552	2.4
178.76472	1.9
189.12703	28.6
207.13759	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03935	5.5
55.01864	5.7
55.05500	28.5
57.03426	4.6
57.07067	17.0
58.92385	2.2
59.05000	2.3
67.05492	45.2
69.03416	51.3
69.07050	17.8
71.04977	23.0
71.08601	4.1
72.16942	2.2
79.05482	38.0
80.07705	2.3
81.03403	10.9
81.07044	47.1
83.04967	18.1
85.02866	8.3
91.05462	42.4
93.07019	62.9
95.04964	25.3
95.08577	33.0
97.06514	10.2
99.04444	10.4
103.05496	2.9
105.07018	99.3
107.04922	14.5
107.08590	48.3
109.06515	55.8
109.10168	28.3
111.08060	9.5
114.47400	2.2
117.07005	5.8
119.08557	79.5
121.06489	27.9
121.10126	94.1
122.07288	5.0
123.04424	10.6
123.08066	25.5
123.11672	11.3
131.08563	14.9
133.06491	6.1
133.10110	77.8
135.08047	36.5
137.05859	3.2
137.09595	73.8
139.11192	2.6
143.08563	4.7
145.10112	13.7
147.08044	30.1
147.11655	30.4
149.09608	100.0
151.07535	4.3
151.11105	2.6
153.09090	11.3
156.09349	20.3
159.08061	10.6
159.11713	4.2
161.09602	4.1
161.13229	35.2
163.11157	10.7
165.09114	2.7
165.12773	5.5
165.34116	2.5
171.11690	14.9
174.10411	13.5
177.34586	2.6
179.14232	11.8
189.12737	40.2
207.13741	31.1
225.14833	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03924	4.4
53.74305	0.8
55.01864	7.2
55.05503	19.5
57.03424	6.0
57.07056	6.1
59.04757	1.0
59.04992	18.3
65.03921	5.1
67.05497	37.4
68.99773	1.1
69.03401	8.9
69.07057	10.3
69.43765	0.9
71.04967	2.1
71.08607	1.4
78.04742	1.4
79.05050	1.6
79.05479	34.6
81.03391	5.1
81.06590	1.6
81.07039	25.6
83.04969	7.9
83.08627	1.6
85.02885	1.3
85.10126	1.1
91.05463	46.8
93.06481	1.6
93.07031	36.2
95.04370	1.9
95.04942	22.5
95.08589	28.0
97.06525	2.3
99.04427	1.4
103.05434	7.9
105.07015	83.6
106.21722	1.3
107.04939	14.4
107.08584	86.3
108.05737	7.9
109.06506	43.4
109.10138	25.3
111.04408	1.8
111.08073	2.0
115.05439	1.7
117.07000	6.0
119.04876	2.2
119.06067	2.4
119.08568	65.0
120.05735	1.1
121.06497	29.5
121.10110	11.6
122.07270	5.7
123.08048	100.0
125.05936	5.6
125.09615	5.2
128.06223	1.2
129.06985	2.3
131.08528	5.0
133.06465	14.5
133.07588	4.1
133.10129	16.3
134.07291	1.4
135.04433	1.6
135.08049	39.9
135.11670	30.3
136.05211	2.3
137.05951	2.0
137.09601	67.3
139.07535	4.5
143.08545	4.0
145.10097	4.5
147.04353	5.5
147.08029	6.1
147.11682	24.8
149.09593	8.3
150.06741	13.8
151.07520	61.4
152.08279	4.3
153.05450	12.0
153.09082	15.7
156.09338	4.7
159.11642	3.8
161.05980	4.0
161.13226	25.5
162.06764	14.2
163.11162	1.2
163.80156	1.1
165.09099	25.1
165.37250	1.1
167.07004	36.1
168.07785	13.0
171.11662	7.0
177.05354	2.3
177.12685	2.3
178.06250	1.2
183.10143	1.7
189.12694	10.7
192.07794	2.2
193.08537	15.9
207.10367	1.0
207.13776	1.6
210.08878	6.3
225.11183	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	225.1483
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03921	0.4
55.01853	0.6
55.05497	5.1
56.54579	0.2
57.06813	0.3
57.07070	5.0
59.04976	1.2
65.03911	1.2
66.98879	0.2
67.05491	29.0
69.03403	1.6
69.07046	2.0
71.04977	1.9
75.60635	0.2
79.05468	4.0
80.06265	0.3
81.03386	0.4
81.07040	5.4
83.04967	1.5
83.08585	0.2
85.06523	7.2
91.05457	5.4
93.07021	9.8
93.93056	0.2
95.04951	3.0
95.08581	100.0
97.06496	1.1
105.07011	7.0
107.04937	0.6
107.08570	7.9
109.06483	2.7
109.10159	2.1
111.08069	0.3
113.05998	3.6
115.05436	0.3
116.06168	0.3
119.04916	0.5
119.06040	0.4
119.07703	0.6
119.08550	13.4
119.09383	0.6
120.09410	0.5
121.06489	1.6
121.10114	5.2
123.08041	17.3
123.11668	3.4
131.08553	1.7
133.06483	0.4
133.10091	2.1
134.07275	0.3
135.08002	0.6
135.11668	6.2
137.09613	1.1
141.09120	1.3
147.04355	0.3
147.08018	1.1
147.11641	2.7
149.09590	11.3
150.06757	0.6
151.07497	3.2
151.14819	1.4
153.05484	1.1
156.09322	0.5
159.08022	0.4
160.08786	0.3
161.13214	4.1
162.06757	0.6
163.11151	0.6
165.09117	2.0
165.12711	3.2
167.06979	1.8
168.07787	1.0
173.88730	0.2
174.10394	1.0
179.14252	0.4
180.86148	0.3
189.12711	4.0
193.08588	1.1
207.13715	3.6
225.11243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.99002	0.8
55.01862	1.1
55.05490	1.1
55.77537	0.8
56.15151	0.7
57.07054	7.2
62.13861	0.7
65.03918	7.9
65.75409	0.7
67.05473	1.4
67.74235	0.7
69.03409	1.4
69.07020	1.2
71.04966	1.3
71.08605	5.6
71.42010	0.7
77.03897	1.5
79.05463	2.0
81.07040	2.1
82.57050	0.8
85.02882	1.6
85.10157	1.1
89.03899	1.7
91.05455	95.8
93.07019	1.9
95.04937	4.1
95.08567	3.9
103.05423	3.7
105.07044	3.0
107.04917	3.9
107.08575	1.6
108.05702	2.0
109.06480	1.0
113.97039	0.8
117.03375	1.0
118.04137	12.8
119.01889	1.8
119.04911	100.0
119.08540	4.5
121.02832	1.2
121.06474	1.3
121.10088	2.0
123.04388	1.3
123.08000	1.4
123.11666	1.1
132.02025	9.1
132.52841	0.9
133.02809	1.1
135.04372	2.1
136.05125	4.5
137.09628	1.2
145.02829	1.6
145.97346	0.9
146.03609	1.7
147.04382	71.1
149.02306	16.6
149.09598	1.2
150.03062	0.9
157.03947	8.6
159.11618	0.9
161.13231	1.2
163.03906	2.2
164.04610	11.4
174.03087	1.6
175.03860	84.7
177.01799	5.9
179.06967	10.0
183.06573	0.9
192.02780	0.8
192.04124	41.5
207.06490	96.4
207.13760	1.5
225.14719	1.2
234.69612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.2
59.01741	0.2
82.99832	0.8
92.09043	0.4
96.63272	0.2
98.97526	0.4
101.00861	18.2
116.98569	0.3
119.01901	100.0
120.01995	0.4
121.02370	0.3
124.02395	2.0
126.90300	0.2
134.99551	0.2
137.02934	34.6
142.03482	34.3
143.01830	0.3
143.03671	0.3
158.97269	0.3
160.04517	11.4
161.02924	10.3
165.05124	0.4
176.98277	0.9
177.00964	0.5
179.03976	24.4
179.49994	0.3
179.99884	0.3
184.04570	1.2
196.99609	0.2
199.50075	0.9
200.00169	0.4
202.05586	2.1
219.99709	0.2
238.95549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	27.2
59.04977	100.0
67.87535	18.2
73.06560	28.7
91.05465	21.9
98.91859	18.5
107.08543	87.7
109.10099	26.6
119.08592	36.6
121.67544	19.6
127.28877	20.6
131.08539	81.8
173.13222	49.2
175.14807	34.1
223.16905	48.5
236.56441	21.6
243.43611	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	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
51.99870	1.9
55.01865	4.8
55.05268	2.6
55.05505	33.0
56.96545	12.9
59.04976	15.2
59.24017	2.1
62.45519	1.9
67.05487	17.0
69.03421	20.4
69.07033	7.9
70.39407	2.3
71.04958	8.5
79.05475	18.2
79.18539	2.3
81.03395	2.2
81.07038	16.1
83.04956	40.7
83.08588	4.7
85.02889	3.0
91.05465	45.2
93.07021	31.6
95.04936	8.6
95.08589	40.2
97.02846	3.4
97.06495	2.1
98.97560	23.5
105.07009	41.8
107.04903	3.1
107.08571	52.8
109.06509	17.6
109.10130	2.3
110.05976	2.6
111.04379	2.4
115.05441	4.3
116.98580	10.4
117.06993	16.8
119.08556	100.0
120.09270	2.5
121.06479	12.7
121.10121	24.5
123.08025	20.6
125.09528	7.5
128.02303	2.9
129.06976	4.8
130.07739	5.2
131.06877	2.5
131.08548	15.1
133.10094	8.2
134.71692	2.3
134.99640	9.1
135.08058	36.8
135.11652	41.7
137.09579	21.8
143.08501	2.4
143.43120	2.4
143.71376	2.5
144.09315	14.2
144.17343	2.5
145.06479	3.6
145.10112	15.7
147.04327	2.8
147.08023	17.3
149.02272	5.3
149.05980	3.7
149.09538	3.0
149.13136	2.2
153.09081	2.8
158.99614	4.3
159.08014	3.0
159.11671	39.4
161.09546	3.4
163.11148	39.0
165.09053	22.4
172.08772	7.8
177.00676	4.3
177.05786	2.5
177.12654	23.1
177.13950	2.3
179.10640	3.1
187.11137	13.5
191.05692	13.9
191.38715	2.7
205.12164	10.4
223.13290	12.4
225.04355	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	223.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.6
55.01863	2.3
55.05490	7.7
56.96562	1.5
57.03427	46.3
59.04997	8.5
67.05505	1.5
69.03415	100.0
69.07095	1.0
70.06579	1.4
73.06532	11.1
75.04469	11.6
79.15060	1.1
83.08620	1.5
84.08141	1.9
85.02888	63.5
85.06538	1.7
87.04449	55.9
91.05385	1.3
91.28558	1.0
95.04945	1.3
97.02866	51.5
97.06480	1.1
98.97556	4.3
99.33247	1.0
101.05978	2.0
102.96867	1.3
107.31699	1.1
115.03908	35.9
115.07558	1.1
116.98598	4.8
133.04938	24.4
149.02318	5.3
163.01750	1.7
177.05409	1.6
181.02853	6.0
198.68077	1.4
207.98975	1.4
223.06325	4.4
225.04179	4.9
241.02307	1.1
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	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01857	2.4
55.05503	31.0
56.96551	12.1
57.03423	2.1
59.04990	17.9
65.03950	1.8
67.05501	18.4
69.03416	24.3
69.07056	4.6
69.85862	1.7
71.04976	7.7
73.02925	2.1
79.05475	20.8
81.07040	11.8
83.04967	41.1
83.08613	3.2
85.02893	4.5
91.05453	42.9
93.07030	25.0
95.04964	4.6
95.08584	42.9
97.02879	2.9
98.97559	31.5
99.04455	3.5
99.97881	2.0
103.05439	2.4
105.07007	37.5
107.04934	3.4
107.08570	52.1
109.06488	15.1
109.10134	2.7
115.05440	8.6
115.77097	1.8
116.98594	22.0
117.06988	17.5
119.04842	2.2
119.07705	3.8
119.08557	100.0
119.09391	4.1
120.97896	2.1
121.06496	16.8
121.10131	20.2
123.08048	26.7
125.06075	1.8
125.09625	2.6
128.02298	4.2
129.06967	9.9
130.07793	3.1
131.08560	13.7
132.88826	1.9
133.10115	7.6
134.99643	4.2
135.08043	40.6
135.11644	35.1
137.06018	2.9
137.09596	16.9
144.09294	14.2
145.06480	3.7
145.10095	15.4
147.04445	3.1
147.08052	15.6
149.02339	10.4
149.05923	3.0
149.09634	3.6
149.13185	5.9
153.09079	7.2
157.10052	1.9
158.99658	8.9
159.11658	35.1
161.09601	4.6
163.11137	35.0
165.09036	16.6
172.08804	10.5
177.00706	12.5
177.12656	18.7
181.02765	2.6
182.05252	2.0
187.11153	12.7
191.05832	13.5
193.07367	2.1
205.12083	12.9
223.13310	8.8
233.76361	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	223.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.0
53.03927	1.2
55.01868	1.2
55.05495	2.1
57.03429	47.8
57.07063	1.3
59.04985	7.3
61.02909	3.4
63.79437	0.8
67.05496	1.0
69.03416	100.0
71.04962	1.3
73.02907	1.7
73.06519	5.6
75.04456	8.4
81.03403	1.5
85.02888	69.4
85.06528	58.2
87.04453	51.1
93.87936	1.0
97.02873	54.1
97.06478	1.0
98.97542	1.9
109.02850	1.1
115.03144	1.7
115.03911	35.0
115.07539	0.9
119.08584	1.0
120.99586	1.1
127.03924	1.1
133.04948	22.9
145.04904	1.3
149.02286	3.2
163.01820	1.2
181.02866	1.6
194.57153	0.9
223.06259	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	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65648	0.6
56.87789	0.6
58.25136	0.6
59.98581	0.6
69.08024	0.6
69.88770	0.7
73.06247	0.7
74.99053	0.7
92.09180	1.1
102.53240	0.7
112.79102	0.7
119.01880	3.3
138.96393	3.7
156.97456	81.3
168.68097	0.7
174.98502	100.0
179.99063	1.7
198.00066	1.3
198.98528	11.7
199.00256	1.1
216.99557	32.9
217.01653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
54.56271	0.2
54.81618	0.2
55.80718	0.2
60.66742	0.2
66.04714	0.2
68.75900	0.2
71.09468	0.3
78.04694	4.2
79.05474	2.7
89.03905	0.5
89.78465	0.3
91.05467	1.0
95.04951	1.2
98.97569	0.3
100.22866	0.3
105.03371	1.7
106.04163	3.3
107.04944	24.8
117.03397	0.4
118.04159	0.5
119.04942	0.3
121.02801	0.3
123.04413	0.5
133.02817	0.6
134.03630	8.7
135.04399	8.2
137.02361	0.6
145.02919	0.3
145.03949	1.8
146.03650	0.3
149.02312	0.5
150.03105	0.4
152.04630	0.5
152.67719	0.3
154.10371	0.3
161.02336	1.5
162.03101	39.8
163.02533	0.4
163.03883	12.2
165.01828	1.0
167.07028	1.8
177.01840	0.3
178.02571	1.6
179.03375	11.5
179.06949	0.3
180.04152	3.2
190.02588	40.0
191.03380	1.3
193.01328	4.0
194.02075	3.4
195.06541	1.7
207.00874	0.5
207.02869	17.7
208.03650	21.8
212.75168	0.3
223.05991	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	221.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10681	0.2
56.96538	0.5
58.67019	0.2
82.22467	0.3
82.51586	0.3
82.99821	0.5
91.98194	0.3
98.15263	0.3
98.97566	4.8
100.02454	1.9
100.97183	0.3
101.00848	11.1
115.87157	0.3
116.77182	0.3
116.98598	5.2
118.03497	1.6
119.01893	100.0
120.02003	0.3
120.50804	0.3
122.28729	0.3
134.99629	3.7
137.02928	46.2
142.03467	2.0
143.01854	0.4
143.03671	0.4
153.00670	0.4
156.05446	0.3
160.04535	1.5
161.02928	13.0
161.04608	1.6
179.03967	32.4
197.99185	1.9
202.05559	0.4
203.03987	0.4
221.01718	0.7
221.05072	1.2
233.79527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.92710	0.4
56.13271	0.4
59.60999	0.4
61.28157	0.5
66.86263	0.5
67.90339	0.4
70.13142	0.4
72.03292	0.5
74.02419	0.6
74.98717	0.5
82.02901	2.4
83.77921	0.5
83.85176	0.5
94.06548	4.0
95.30612	0.5
103.05430	1.0
104.04969	0.5
115.05424	1.0
116.98540	0.5
130.06505	100.0
131.05998	0.6
132.04430	54.6
148.07541	2.3
157.07590	61.6
158.05989	81.6
175.08630	45.9
176.06952	0.8
185.07066	3.0
186.05455	0.9
203.08128	25.4
204.06567	1.2
221.09210	4.8
221.12801	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	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60880	14.0
76.70624	14.7
87.72375	19.1
97.94964	18.6
219.02667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03947	1.4
55.01853	5.7
55.05498	21.9
57.07059	4.9
59.04981	1.1
65.36750	0.9
67.05492	11.5
67.55025	0.8
69.03413	3.7
69.07050	31.1
70.67780	0.9
71.04968	7.4
72.93767	1.2
79.05480	11.6
81.06617	1.1
81.07030	31.2
83.08593	16.1
85.06521	6.7
88.07598	4.4
91.05448	2.3
92.08685	2.2
93.07016	28.4
95.08578	62.3
97.06496	1.1
97.10146	10.0
99.08060	30.8
101.36259	0.9
105.06979	7.3
107.08572	62.4
107.34783	0.9
109.10139	18.6
111.08060	17.4
111.11682	1.1
113.09627	4.3
114.37032	1.4
119.08535	1.0
121.10113	100.0
123.08078	1.1
123.11665	2.4
125.06015	1.1
125.09615	9.9
135.11653	18.4
137.13235	15.1
139.11177	2.0
148.97324	1.8
149.13223	6.5
159.32404	0.9
167.02885	1.4
177.16335	95.6
195.17398	14.3
213.16463	1.1
213.18405	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	213.1485
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03904	2.1
53.83394	1.6
55.01857	24.1
55.05505	100.0
61.78752	1.6
67.05494	39.9
69.03402	10.2
69.07055	22.0
70.06583	2.5
71.04977	68.5
79.05474	32.7
81.03382	2.0
81.07037	63.8
83.04957	3.8
83.08595	65.7
85.06524	33.5
87.04436	3.9
88.07608	21.6
91.05455	14.3
92.03389	1.9
93.07026	60.2
95.04963	4.0
95.08618	19.2
97.06512	91.3
97.09527	2.5
97.10150	63.8
98.97544	3.1
99.04462	3.0
99.08061	2.4
102.46635	1.9
105.07005	13.8
107.04916	4.6
107.08574	39.3
109.10149	11.8
111.08068	4.6
119.08537	2.4
121.10123	31.7
125.09613	36.5
131.08549	19.7
133.10091	3.7
135.08014	4.4
135.11693	4.7
143.08566	2.3
148.97343	8.0
149.09586	23.0
149.13226	10.6
157.10074	2.2
159.11736	3.8
167.14325	2.3
174.60280	2.4
177.12726	8.9
180.06021	2.1
188.11137	2.0
189.11156	9.2
195.13788	33.1
213.11288	16.9
213.14761	86.6
213.16577	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03917	1.2
55.01874	1.5
55.05502	27.7
57.03422	7.0
57.07059	2.2
60.06915	1.2
61.87783	1.0
67.05492	70.4
69.07055	25.4
71.04971	6.2
79.05471	43.8
79.05902	2.6
80.99041	1.3
81.07039	100.0
83.04983	5.4
83.08595	16.8
85.06521	5.0
88.07607	2.6
91.05464	27.6
92.08980	8.6
93.07023	53.1
95.04941	5.3
95.08593	25.9
97.06531	9.5
105.04498	1.2
105.07003	9.2
107.08573	25.9
109.10209	1.4
111.08080	6.8
114.37439	1.3
117.06981	10.1
119.08540	1.6
121.10125	12.6
123.11678	4.5
127.43210	1.1
131.08534	9.9
133.10095	12.4
135.11700	11.2
138.28569	1.1
149.13239	18.1
159.11635	9.6
177.12639	2.7
195.13780	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	212.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01880	2.1
55.05492	1.1
57.03428	10.2
61.02913	95.3
67.05488	2.0
67.44939	1.0
69.03411	17.0
71.01343	8.5
71.04968	7.4
73.02898	42.0
78.88331	1.4
81.03400	54.8
82.03736	5.8
85.02888	100.0
85.06519	2.6
86.06897	1.6
87.04465	5.1
91.03937	84.9
91.04517	3.0
94.06525	1.3
95.04954	1.7
96.04440	1.8
97.02872	38.1
98.97523	1.6
99.04453	5.4
104.82094	1.2
109.02856	35.3
113.06011	6.1
114.06349	1.8
115.03925	7.9
119.01862	1.7
122.06041	1.4
124.08696	2.2
127.03906	27.4
129.01811	5.2
130.41493	1.4
141.05457	2.8
145.04947	29.7
150.05455	5.5
157.01320	1.3
159.02888	2.4
159.06512	6.3
163.05981	40.5
165.03345	1.5
177.04001	1.6
179.81985	1.5
183.53987	1.2
188.03697	1.3
195.08578	2.8
212.16406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.47393	0.7
52.41523	0.8
53.03934	3.4
55.01866	1.1
55.05502	22.6
57.03432	7.8
57.07050	2.1
61.84681	0.9
62.83513	0.7
64.21459	0.8
65.03901	1.0
67.05489	71.3
69.03390	0.8
69.07056	24.2
71.04956	6.6
79.05475	39.2
81.03403	1.0
81.07034	100.0
83.04982	6.3
83.08598	15.3
83.77599	0.9
85.06536	2.1
88.07611	4.0
91.05459	23.6
93.07023	51.9
95.04937	5.8
95.08590	23.7
97.06500	10.3
105.07022	8.0
107.08576	22.7
109.06482	1.9
109.10137	1.6
111.08061	5.3
117.06974	8.0
119.08540	1.4
121.06509	1.0
121.10126	9.2
123.07983	1.1
123.11715	4.1
131.08562	8.8
133.10088	11.9
135.08057	1.1
135.11676	8.7
145.47791	1.2
149.13226	17.7
159.11638	10.4
177.12755	4.3
178.83279	0.9
195.13821	6.0
205.73123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
55.01868	4.3
55.98868	2.2
56.96561	16.4
57.03425	33.7
61.02912	58.5
69.03419	24.5
71.01352	2.5
71.04972	14.5
71.85842	3.0
73.02899	41.9
81.03399	100.0
82.03742	12.9
85.02890	83.3
85.03364	4.3
87.04446	15.2
91.03934	60.5
96.04519	4.1
97.02855	45.2
97.03417	3.2
97.76431	2.4
98.28989	2.6
98.97565	64.1
99.04439	13.9
102.93539	2.7
109.02861	84.5
110.01282	3.9
110.97575	27.5
111.02084	3.0
113.05988	12.0
114.06400	4.3
116.01405	2.8
116.98597	28.0
119.01800	13.9
123.59805	2.9
127.03911	34.1
128.02313	4.5
128.97667	3.9
128.98553	35.4
129.02719	3.4
131.01794	2.7
134.99677	3.5
141.05444	11.4
145.04926	26.5
146.99614	25.2
158.99606	4.4
159.06540	5.6
161.01282	4.2
161.02922	3.2
163.06030	25.5
164.49174	3.4
170.99617	10.8
177.00691	12.3
177.07545	3.5
189.00711	22.3
195.08632	14.7
201.00737	3.4
219.01779	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38887	1.6
53.03943	1.9
55.01886	1.9
55.05507	18.9
57.03429	2.5
57.07062	2.0
67.05486	35.4
69.03410	9.9
69.07040	12.5
71.04968	9.9
79.05447	6.9
80.37190	1.9
81.03416	4.2
81.07024	21.9
83.08575	3.6
85.06532	8.8
91.05459	97.5
93.07013	26.1
95.04949	100.0
95.08582	41.0
97.08115	1.9
99.04437	5.0
99.08073	95.5
105.07040	22.0
107.08579	29.8
109.06480	4.2
109.10152	50.7
111.08105	5.0
113.05901	2.4
113.09602	3.0
119.04961	2.2
119.08559	36.3
121.10078	3.5
123.11708	4.5
125.09618	7.7
131.08624	2.2
133.10110	96.1
135.11667	21.3
137.05957	59.0
137.09596	61.4
137.10583	3.9
147.04381	2.5
147.11719	2.0
155.10660	16.9
167.06987	9.5
175.14819	20.2
179.07001	2.3
193.08589	2.0
193.15945	18.1
195.00850	2.0
211.09691	3.6
211.13351	1.9
211.16891	18.6
221.68204	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03933	0.5
54.25336	0.4
55.01868	0.9
55.05504	21.0
56.96547	0.7
57.03430	1.2
57.07063	5.8
59.04979	2.7
65.03915	0.6
67.05492	35.1
68.62837	0.5
69.03411	11.6
69.07056	17.9
71.04973	7.0
71.08621	0.6
79.05476	8.7
80.10673	0.4
81.03403	7.2
81.07040	36.5
83.03853	0.5
83.04964	13.8
83.08609	10.6
85.06522	5.4
85.43298	0.5
91.05456	9.1
93.07024	18.0
95.04951	6.6
95.08582	43.0
97.06508	3.2
97.10139	3.1
99.08046	2.2
105.07014	9.7
107.04886	0.7
107.07983	0.5
107.08576	29.6
109.06506	15.0
109.10140	100.0
111.08070	4.6
113.09582	0.8
119.07712	0.9
119.08559	23.8
121.10104	10.8
123.08039	14.8
123.11680	11.3
125.09606	2.3
129.06995	0.7
131.08545	1.1
133.09366	0.6
133.10104	20.9
135.11671	63.2
137.05991	0.6
137.09566	12.5
138.10353	0.8
139.11133	0.9
147.11676	2.4
149.13237	5.7
151.11150	10.1
151.14790	10.1
153.12738	2.3
165.16341	2.4
167.07008	0.9
175.11256	0.7
175.14783	16.8
193.12224	3.0
193.15865	12.8
211.13231	1.2
211.16902	3.2
217.29517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03953	1.1
54.19418	1.0
55.05310	1.0
55.05501	15.7
55.88715	1.0
57.07056	5.0
61.84472	1.1
67.05486	30.5
69.03413	8.7
69.07051	17.4
70.93882	1.1
71.04976	1.8
71.08593	1.3
73.60159	1.1
79.05460	5.1
81.07037	32.5
83.04956	12.2
83.08594	7.8
85.06526	2.0
85.10902	1.1
91.05421	5.6
92.09053	2.4
93.07027	11.7
94.16103	1.2
95.04942	2.2
95.08575	36.8
99.08046	2.1
105.06995	6.2
107.08569	25.5
109.06482	13.8
109.10138	100.0
111.08061	4.5
119.08553	17.9
120.66872	1.2
121.10136	8.8
123.08031	16.3
123.11686	9.3
133.10089	15.1
135.11658	48.3
137.09634	10.9
137.44891	1.2
149.13225	5.0
151.11186	9.3
151.14740	8.7
153.12706	1.5
175.14746	12.5
193.15797	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94463	0.7
55.05503	21.4
57.07052	6.0
57.87142	0.7
59.04981	1.7
67.05141	1.4
67.05489	38.9
69.03410	10.5
69.06714	1.3
69.07055	25.8
71.04967	4.5
71.08569	0.6
76.56474	0.7
79.05456	8.0
81.07032	38.0
83.04961	18.3
83.08595	10.6
85.06511	3.9
91.05460	6.7
93.07015	18.0
95.04959	4.7
95.08578	52.9
97.06517	1.3
97.10132	3.6
99.08064	5.6
105.06995	12.8
107.08572	32.6
109.06498	13.6
109.10136	100.0
111.08051	5.2
113.09598	1.9
119.08553	27.6
121.10119	13.5
123.08044	19.4
123.11673	16.8
125.09596	0.9
133.10098	38.4
135.11662	54.9
136.06879	0.8
137.09589	19.1
139.11118	1.8
147.11687	1.3
149.13225	5.3
151.11121	9.6
151.14795	11.1
153.12689	1.7
165.16391	1.6
167.06960	1.3
175.14781	29.4
193.15840	18.0
211.16910	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03942	1.9
55.05503	20.1
57.03418	2.2
57.07056	5.1
59.04987	1.3
67.05492	38.7
69.03411	11.9
69.07052	25.2
70.06565	1.2
71.04974	6.1
79.05460	9.5
81.07032	37.8
83.04961	16.1
83.08614	8.7
85.06507	5.2
91.05453	11.6
92.08807	11.1
93.07016	22.2
95.04941	5.5
95.08001	2.4
95.08581	49.9
97.06522	1.8
97.10157	2.8
98.56446	1.2
99.08065	9.2
101.66158	1.2
105.07016	13.7
107.08569	33.5
109.06513	11.6
109.10136	100.0
111.08051	5.0
117.06973	1.3
119.06046	2.6
119.08557	32.9
121.06568	1.0
121.10120	15.7
122.09699	1.4
123.08038	20.7
123.11658	16.5
125.09597	1.9
133.10098	39.6
135.11665	48.8
137.05974	8.4
137.09573	23.0
137.13222	1.2
147.11647	2.1
147.62029	1.3
149.13231	6.0
151.11180	9.6
151.14790	9.4
153.12753	1.2
167.07022	5.3
175.14783	26.8
193.15808	16.2
211.16907	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.00275	1.6
53.03931	8.4
55.01864	9.2
55.05507	60.9
57.03419	12.7
60.75682	1.8
66.93703	2.0
67.05492	35.0
69.03418	10.1
69.07056	16.6
71.04972	7.9
79.05476	39.2
81.03402	100.0
81.07035	46.1
83.04964	83.0
83.08604	27.1
85.06503	3.4
91.05460	47.1
92.08782	5.5
92.09278	3.6
93.07030	20.6
95.04949	33.2
95.08566	19.9
97.06537	4.3
97.10160	3.9
105.07014	26.4
107.04943	11.4
107.08581	9.5
109.06523	8.4
111.08072	11.6
115.05529	2.3
119.08534	21.4
121.10116	8.5
123.08069	2.4
123.16533	1.9
129.07004	13.0
131.08522	16.3
133.10117	12.7
135.39085	2.0
142.07683	2.0
147.11649	10.3
149.09592	4.6
157.10165	14.0
165.12750	2.0
175.11145	17.3
181.43790	2.0
189.54489	2.0
193.12193	42.8
211.13235	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03940	7.1
55.01867	8.2
55.05503	60.0
56.96544	1.2
57.03426	12.7
57.07067	0.8
57.69577	0.7
59.04984	2.7
64.33813	0.6
65.03924	1.5
67.05488	37.9
68.22830	0.6
69.03413	12.3
69.07047	13.9
71.04969	7.9
73.06536	0.7
79.05467	41.2
81.03394	100.0
81.07030	44.0
83.04960	68.8
83.08596	28.9
85.02884	3.8
85.06522	3.8
87.04462	0.6
91.05457	41.9
93.07011	21.9
95.04939	33.9
95.08578	19.6
97.02879	4.1
97.06497	4.8
97.10141	8.1
99.04404	0.9
99.08074	1.0
102.31631	0.7
103.05450	1.0
105.03363	5.1
105.04437	0.9
105.07005	33.4
107.04932	7.2
107.08559	12.0
109.02872	2.7
109.06503	5.6
109.10126	4.6
109.93793	0.6
111.04431	2.6
111.08062	8.5
115.05447	2.8
117.06938	1.1
119.08553	24.0
120.71877	0.6
121.06491	2.6
121.10098	7.5
123.04338	0.8
123.08040	3.1
123.11710	1.7
125.09538	2.3
129.06963	11.8
131.08534	11.6
133.06458	4.8
133.10092	14.0
135.11633	2.7
137.05975	3.6
137.09604	3.2
142.07738	3.7
145.10063	0.8
147.08011	3.5
147.11652	13.4
149.05948	2.8
149.09564	7.0
157.10091	13.2
165.12766	2.8
167.07034	4.3
175.11105	14.7
175.14790	1.5
190.29031	0.7
193.12184	41.4
193.15771	1.1
211.09532	0.7
211.13219	24.1
211.15005	1.2
211.16573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
55.05500	0.6
57.03425	2.8
65.03918	0.7
67.05482	0.9
69.03413	0.3
69.07037	0.2
71.04961	0.2
75.04453	0.9
79.05473	0.3
81.07025	0.7
83.04948	0.1
85.02884	0.2
85.06528	0.2
91.05456	100.0
93.06999	0.7
95.04943	0.9
95.08582	0.7
99.08076	0.3
105.07005	0.6
107.08590	0.8
109.06477	0.3
109.10145	0.9
119.04958	0.2
119.08549	0.8
121.10065	0.3
123.08031	0.3
133.10106	0.8
135.11671	0.7
137.04927	0.1
137.05943	4.0
137.09602	0.2
147.11690	0.2
149.02335	0.6
155.10675	0.2
167.06990	0.8
175.14757	0.2
193.08559	3.3
193.15848	0.6
211.09583	0.3
211.16922	0.2
224.05257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.87653	0.5
52.87189	0.6
53.49430	0.5
55.01863	1.2
55.05507	6.7
57.00476	0.5
57.03423	3.0
57.07071	0.8
67.05494	12.8
69.03400	4.5
69.07061	6.1
71.04973	5.8
79.05476	20.3
81.03403	1.2
81.07036	14.1
83.04937	3.2
85.06519	3.1
91.05463	61.0
93.07024	23.1
95.04929	4.4
95.08588	14.2
97.06521	11.6
99.04422	0.8
103.05452	1.2
105.07012	42.5
107.08566	8.6
109.06491	3.3
109.10144	8.7
111.59821	0.7
113.05977	1.6
117.06993	9.2
119.08562	100.0
121.06483	1.6
121.10114	10.5
123.08057	5.0
123.11683	1.6
125.09636	0.8
129.06993	1.3
131.08517	1.2
133.10083	3.4
134.34659	0.7
135.07968	2.9
135.11664	4.3
137.05933	2.8
137.09608	13.8
142.07811	1.0
147.11667	34.8
151.11165	4.1
165.12721	13.0
167.06947	4.7
175.11151	26.0
175.14742	1.3
179.06993	0.9
183.55147	0.7
193.12215	19.1
193.15877	9.1
211.13271	4.8
220.28909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03933	1.2
53.49926	0.6
54.81655	0.7
55.01851	1.5
55.05484	2.8
56.96528	0.7
60.22620	0.5
65.03923	0.9
67.05481	3.9
68.03384	0.6
69.07040	1.1
71.05004	0.8
78.04685	4.1
79.05466	3.5
81.03387	1.1
81.07021	3.5
85.02859	0.9
91.05456	18.2
92.08619	1.3
92.09209	3.0
93.07013	15.5
93.25411	0.7
95.04931	12.0
95.08590	2.2
99.08031	0.9
103.05441	14.3
105.04520	1.2
105.07000	8.6
106.04125	4.7
107.04948	4.4
107.08575	1.5
107.16342	0.8
109.06500	4.2
109.10135	3.2
119.04900	3.8
119.08555	10.0
121.06481	21.9
121.10086	1.0
123.04393	14.3
123.08036	3.7
124.05196	4.5
125.05999	0.8
131.04901	0.7
131.06006	0.8
133.06447	4.4
133.10086	0.7
135.04338	0.8
136.05171	0.9
137.04987	1.1
137.05949	17.3
137.09561	6.1
147.04341	1.5
147.08020	5.7
149.05952	24.4
151.03880	5.2
151.07500	5.0
152.04665	3.8
153.05331	0.7
161.05951	4.0
165.05417	1.4
165.09035	1.2
166.06194	7.9
167.06993	100.0
179.07095	1.4
180.07814	3.2
181.08545	20.6
193.08568	3.3
201.96420	0.7
211.09587	13.0
211.16902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
51.25575	0.2
53.03936	0.4
54.72778	0.3
57.03397	0.3
60.70518	0.3
65.03921	0.4
79.05473	1.9
81.03408	0.4
81.07042	0.6
91.05457	4.2
92.08801	0.6
92.09338	0.5
93.07003	0.5
94.04169	1.4
95.04954	0.7
103.05483	0.3
105.07015	3.3
107.04902	0.4
109.06512	2.8
115.05464	0.5
118.18736	0.3
119.04926	4.3
121.06501	0.7
122.03632	5.6
123.08033	0.3
133.06456	1.6
135.86018	0.3
136.05159	0.4
137.05960	100.0
139.03763	0.4
147.04387	5.8
149.05855	0.3
151.07521	4.6
153.05435	3.2
154.06230	1.5
163.03894	1.8
165.70418	0.3
166.50267	0.3
168.07883	0.3
178.06207	0.7
179.06958	4.4
211.09637	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.39806	0.7
52.03995	0.8
53.03940	10.0
55.01862	1.1
55.05265	1.5
55.05506	26.9
56.69709	0.9
57.03418	5.1
57.07062	2.2
58.46913	0.7
59.04979	4.4
61.02908	2.4
62.90421	0.9
67.05488	11.6
69.03400	4.0
69.07050	5.1
71.04974	12.9
75.04479	1.1
79.05464	11.7
81.02931	2.1
81.03400	55.1
81.06596	1.4
81.07041	32.4
83.04963	14.8
83.08602	9.7
85.02877	4.2
85.06531	13.2
85.10160	1.0
91.05470	13.1
92.08889	4.3
93.07022	17.6
93.13879	1.1
95.04950	28.2
95.08588	14.2
95.53786	1.0
97.06511	27.6
97.10141	1.0
98.03630	2.2
99.04420	6.5
103.05490	1.2
105.07015	19.5
106.04127	3.8
107.08575	24.3
109.02868	12.3
109.06501	100.0
109.10151	15.0
111.08093	7.3
113.05988	20.7
117.06998	1.5
119.08556	5.9
121.06509	3.8
121.10124	17.5
123.08060	4.9
123.11685	2.3
125.07742	1.0
125.09599	4.6
131.08546	12.9
133.10103	49.0
135.08029	9.1
141.05443	15.5
143.08543	2.1
145.10080	5.4
147.11636	1.2
149.05930	3.8
149.09637	1.9
149.13255	4.8
151.11118	7.5
153.09058	12.6
158.10873	4.7
163.14848	1.5
167.14322	8.5
173.13213	16.6
191.14253	12.7
209.15324	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03929	5.8
55.01872	1.4
55.05504	100.0
57.07062	1.9
59.04979	5.6
61.02919	1.1
63.82254	1.0
64.60678	1.0
67.05498	13.6
68.58011	1.1
69.03411	9.4
69.07050	15.4
69.96670	1.1
71.04968	9.9
79.05466	7.4
81.03399	19.9
81.07037	17.8
83.04962	64.7
83.08599	44.6
85.02856	2.0
85.06527	8.3
91.05466	10.4
91.22212	1.2
92.08716	7.5
93.07021	25.7
95.04942	30.0
95.08586	7.0
97.06496	8.9
97.10152	9.1
98.03636	1.3
99.04449	5.4
99.08057	1.9
105.07008	7.9
106.04127	2.2
107.08575	30.3
109.02873	2.7
109.06519	13.0
109.10141	24.3
111.08059	10.1
113.05976	8.8
119.08601	1.8
121.06504	1.8
121.10121	50.3
123.11678	10.5
125.09600	10.2
133.10118	7.1
135.11687	1.4
141.05469	5.4
149.13249	5.9
151.11148	28.3
153.09061	6.0
163.14815	7.0
167.14265	48.1
168.33022	1.3
173.13185	2.1
191.14265	5.1
209.15321	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	9.9
55.01840	1.1
55.05499	7.3
57.03411	1.0
57.07056	1.9
57.84005	0.7
59.04964	1.5
61.02892	3.7
65.03915	1.4
67.05498	6.6
69.03418	16.9
69.07052	6.8
71.04975	9.6
75.04436	1.4
79.05463	4.6
81.03394	54.3
81.07034	10.2
83.04933	1.7
85.02871	2.1
85.06535	7.7
91.05467	7.7
92.08806	1.5
92.09290	1.1
93.07048	6.5
95.04936	18.0
95.08568	11.3
95.71967	0.7
97.06484	1.6
98.03635	1.9
98.94485	0.8
99.04409	4.1
99.08115	0.8
103.05454	1.5
105.07002	7.1
106.04144	7.7
107.08567	12.9
109.02853	8.5
109.06502	14.6
109.10100	3.7
113.05991	15.6
119.08553	8.8
121.06469	6.5
121.10122	17.2
123.08038	14.5
123.11661	9.6
135.08047	2.0
137.09584	5.1
137.13190	1.7
141.05437	11.1
147.11656	4.0
149.05933	5.4
149.09583	10.2
149.13197	4.1
149.26459	0.8
151.11142	7.1
163.14713	0.9
165.12712	100.0
189.78125	0.9
191.14310	1.4
194.00198	1.4
209.15315	44.6
224.16609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	0.7
55.05501	5.4
55.98083	0.4
57.07050	0.8
59.62133	0.5
65.03913	1.1
65.95627	0.5
67.05482	5.1
69.03406	7.3
69.07035	3.8
71.04973	0.9
79.05482	8.4
81.03391	1.3
81.07031	17.3
83.08598	0.5
89.51847	0.6
91.05450	17.7
92.09228	2.2
93.07000	4.4
95.04958	1.1
95.08587	3.5
105.07007	16.6
107.04937	2.1
107.08561	32.6
109.06494	14.4
109.10128	15.0
115.05430	6.8
117.07000	8.6
118.07667	0.5
119.06023	0.9
119.08541	6.5
121.06470	2.5
121.10102	15.7
122.07253	17.9
123.08004	1.1
123.11610	0.6
131.08546	3.0
133.10094	94.0
135.08014	21.7
135.11763	1.1
137.09583	100.0
143.08528	0.6
147.11624	1.2
149.13214	10.6
149.72972	0.6
151.11098	1.0
158.10895	1.1
163.14796	0.8
173.13211	4.1
191.14287	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.38964	0.7
53.03943	0.9
53.69828	0.6
55.05504	5.6
57.07063	1.7
62.89390	0.7
67.05503	5.7
69.03413	9.0
69.07049	6.1
70.73015	0.7
77.73069	0.8
78.47857	1.0
79.05480	9.5
81.03366	0.9
81.07038	23.0
83.04984	1.0
83.08614	0.8
88.66473	0.8
91.05460	19.6
92.08993	5.6
93.07027	4.4
95.04964	1.1
95.08602	1.6
105.07011	17.1
107.04924	1.7
107.08575	36.7
109.06488	16.2
109.07171	0.8
109.10133	13.5
115.05447	8.6
117.06990	9.0
119.06068	1.2
119.08549	6.5
121.06448	1.4
121.10123	24.3
122.07255	15.9
123.08057	3.9
131.08568	4.4
133.10101	100.0
134.10808	0.7
135.08029	30.3
135.11653	1.4
137.09592	94.3
147.11743	1.2
149.13246	15.0
151.11180	3.2
158.10866	1.6
173.13261	3.9
191.14310	5.3
202.36533	0.9
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	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	6.2
55.01866	4.0
55.05500	7.0
57.03429	4.6
57.07076	1.9
59.04992	2.6
61.02898	1.5
65.03931	0.9
67.05507	8.8
69.03423	1.7
69.07058	9.8
71.04977	10.8
79.05478	11.2
81.03397	34.2
81.07040	31.3
81.07516	1.2
83.04961	4.6
83.08624	2.3
85.02885	2.2
85.06520	10.1
91.05470	11.9
92.08559	0.9
93.03336	1.1
93.07014	19.2
95.04952	19.6
95.08595	6.6
97.06515	27.3
98.03662	2.2
99.04431	4.8
103.05429	1.3
105.07009	23.0
106.04144	3.8
107.08582	27.2
109.02844	5.6
109.06502	100.0
109.10125	13.3
111.08077	4.7
113.05993	16.3
117.07024	4.9
119.08561	9.2
121.06489	5.9
121.10121	19.4
123.08036	7.5
123.11732	1.8
125.04346	1.0
125.09595	1.6
129.88840	1.1
131.08540	17.3
133.10106	44.1
135.08047	12.0
135.08949	1.1
141.05464	8.2
143.08488	1.3
145.10121	5.0
147.08041	1.3
147.11670	21.7
149.06015	2.5
149.09653	6.2
149.13229	10.1
153.09084	10.4
158.10860	4.0
163.14865	1.7
173.13232	17.7
176.12009	1.6
191.12508	1.5
191.14284	46.1
193.64740	1.0
199.19482	1.1
209.15326	26.7
209.17123	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.37741	1.3
53.03935	21.7
55.01857	6.5
55.05505	20.3
56.70711	1.3
57.03418	9.5
57.07059	3.1
59.04991	6.8
61.02912	7.3
64.33231	1.4
67.05483	18.9
69.03422	12.5
69.07056	12.7
70.71740	1.5
71.04971	27.2
75.04487	2.1
79.05475	15.1
81.03400	100.0
81.07035	24.0
82.35166	1.6
82.41358	1.4
83.04963	10.5
83.08589	2.6
84.68756	1.4
85.02888	6.5
85.06528	23.4
86.78401	1.6
90.55306	1.4
91.05460	20.4
92.63857	1.5
93.07024	31.3
95.04938	22.0
95.08578	21.3
97.06514	12.9
98.03665	11.9
99.04436	12.1
99.08079	6.7
103.05419	2.1
105.07004	19.9
106.04153	3.1
107.04941	3.0
107.08579	48.1
109.02846	23.8
109.06512	16.4
109.10146	17.6
111.08065	7.2
113.05981	38.2
119.08578	9.4
121.06473	10.9
121.10130	29.2
123.04372	1.8
123.08027	13.5
125.05939	2.3
125.09603	6.7
131.08539	11.9
133.10094	23.4
135.08029	13.1
135.11639	2.2
137.09595	3.7
139.11174	2.2
141.05446	27.5
143.08583	1.8
145.10091	5.7
147.11642	6.4
149.05954	1.9
149.09598	39.5
149.13217	13.8
151.11153	23.8
153.09090	9.6
162.75400	1.6
163.14766	6.4
173.13255	13.3
177.05479	2.7
191.14235	18.6
209.15294	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03918	6.8
54.82167	3.9
55.05503	97.2
59.89437	4.2
63.40546	3.6
67.05496	30.7
69.03394	15.1
69.07052	20.3
71.04972	24.1
79.05493	8.5
81.03397	50.6
81.07049	30.0
83.04508	7.7
83.04964	100.0
83.08602	31.6
85.06529	17.5
85.58216	4.3
91.05443	7.8
92.09322	9.6
93.07045	27.3
95.04953	67.8
95.08573	40.5
97.06527	22.2
97.10168	7.7
99.04425	7.4
105.07043	20.2
107.08578	45.5
109.02851	5.9
109.06511	90.8
109.10136	25.0
111.08096	11.0
113.05992	10.7
113.91836	4.5
119.08568	5.0
121.10149	18.8
123.08049	5.1
123.11667	6.5
125.09624	26.7
131.08522	8.7
133.10109	35.1
135.08008	17.4
136.51309	4.3
141.05458	6.0
147.11649	4.6
149.09598	47.0
149.13254	10.5
151.11168	37.9
153.09094	23.2
161.90558	4.9
163.14761	7.7
167.14336	36.7
173.13336	18.9
191.14244	20.5
209.15396	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	3.1
55.05506	69.4
57.07072	1.4
58.51505	1.3
59.04977	3.3
59.94985	1.2
60.36840	1.4
62.18380	1.4
63.23256	1.4
67.05492	9.6
69.03415	6.2
69.07054	11.6
69.72017	1.4
70.14761	1.3
71.04978	9.5
78.51398	1.6
79.05482	11.6
81.03391	16.2
81.07041	11.3
83.04958	32.7
83.08604	26.5
85.02924	1.9
85.06532	3.0
91.05453	11.2
92.08931	7.8
92.27941	1.6
93.07024	45.3
93.07574	3.0
95.04950	76.9
95.08568	7.8
95.38312	1.5
97.06522	5.9
97.10188	3.3
99.04445	12.3
105.07022	6.8
107.08578	40.8
109.02850	1.8
109.06502	8.3
109.10145	17.6
111.04482	1.7
111.08068	9.0
113.05997	7.7
119.08574	2.1
121.10125	100.0
123.08116	1.7
123.11694	3.4
125.09596	3.4
133.10132	8.2
141.05452	3.6
149.13197	3.2
151.11169	18.1
153.09058	11.7
163.14786	15.5
167.14258	22.1
167.86293	1.9
173.13348	2.2
191.14241	3.5
209.15344	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	209.1535
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03922	10.2
53.44831	1.7
55.05501	100.0
55.52879	1.9
61.02906	2.7
67.05478	11.1
69.03411	4.1
69.07036	4.6
71.04958	7.8
75.04440	2.5
75.88911	2.0
76.72079	1.8
79.05470	4.1
80.13118	2.0
81.03397	32.9
81.07019	13.1
83.04957	49.8
83.08599	38.3
85.06530	8.5
91.05448	4.1
92.09078	8.0
93.07021	23.1
95.04945	19.3
95.08570	11.7
97.06499	7.1
97.10142	7.5
98.03626	3.0
99.04443	2.5
103.05441	3.6
105.07030	2.8
106.04168	4.2
106.50095	1.9
107.08572	24.4
109.02839	3.0
109.06483	11.0
109.10154	20.7
111.08049	4.8
113.05989	12.5
118.50800	1.9
121.06502	4.6
121.10124	28.9
123.11678	9.0
125.09609	11.5
127.66272	2.1
129.05058	1.9
129.42827	1.9
132.14268	1.9
133.10100	9.7
135.11684	2.3
141.05431	8.2
149.05907	3.5
149.13179	2.9
151.11162	25.5
153.09016	2.4
163.14777	3.4
167.14249	45.4
191.14325	2.4
209.15283	29.6
220.31389	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03930	6.3
55.01855	1.0
55.05507	10.2
57.03426	1.9
57.07058	2.0
59.04981	1.5
61.02921	2.7
67.05487	9.1
67.51508	1.1
69.03405	15.4
69.07047	17.5
71.04977	13.7
79.05460	6.3
81.03400	26.4
81.07038	17.8
83.04955	13.4
83.08596	6.2
85.02847	1.6
85.06505	5.2
91.05460	7.4
91.72439	1.3
93.07024	13.3
95.04944	7.8
95.08589	23.2
97.06506	5.2
98.03653	2.0
99.08062	1.8
105.07002	11.2
107.08560	36.3
109.02840	1.9
109.06506	9.4
109.10121	12.6
111.08101	2.5
113.05988	8.2
117.07034	1.3
117.88898	1.2
119.08553	6.4
121.06478	6.9
121.10117	42.0
123.08019	10.4
123.11690	2.7
125.09563	9.2
131.08534	5.5
133.10062	12.4
135.08002	11.3
135.11665	8.1
137.09583	5.3
139.11177	1.8
141.05446	2.2
143.08528	1.7
145.10083	4.5
147.11679	5.8
148.72684	1.2
149.09624	11.8
149.13240	16.6
151.11154	100.0
153.09018	1.5
158.10895	2.1
159.44145	1.3
163.14769	2.2
165.12712	11.5
173.13185	10.1
191.14293	28.5
209.15405	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	209.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42931	0.7
53.03943	17.6
55.05511	9.1
57.03434	3.3
59.04993	3.1
61.02917	7.8
63.84574	0.7
69.03410	3.3
71.04976	23.8
73.02898	0.9
75.04475	3.3
78.16012	0.6
80.16982	0.7
81.03401	100.0
83.04951	0.8
85.02889	5.4
85.06525	18.6
87.04442	1.4
95.04941	12.2
97.02877	1.7
98.03661	12.5
99.04443	8.2
108.66158	0.7
109.02864	19.0
113.05988	34.9
114.06773	2.7
121.89887	0.6
127.03913	1.1
141.05452	21.1
182.89990	0.7
219.19193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	18.5
53.75689	0.6
55.05498	7.6
57.03419	4.4
59.04985	3.6
61.02910	6.2
61.05395	0.7
69.03412	4.1
71.04977	23.2
73.85973	0.9
74.68031	0.7
75.04460	3.5
77.33076	0.7
81.03398	100.0
85.02911	5.3
85.06526	18.6
87.04440	1.0
92.09108	1.3
95.04951	17.7
97.02859	1.7
98.03666	12.1
99.04427	9.2
102.38590	0.8
109.02868	22.6
111.65607	0.8
113.05194	1.4
113.05984	40.8
114.06747	1.3
117.85883	0.7
127.03864	0.9
141.05446	26.4
155.07112	1.2
176.42654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03722	0.8
53.03940	16.3
54.34845	0.6
55.01864	0.8
55.05317	0.5
55.05506	8.3
55.51679	0.6
57.03424	3.9
59.04979	2.8
61.02911	7.8
69.03413	5.9
70.86841	0.6
71.04978	21.7
73.62138	0.6
75.04455	2.9
75.63435	0.7
77.32660	0.7
80.17149	0.7
81.03400	100.0
81.25466	0.7
83.04984	0.8
85.02897	5.9
85.06528	18.6
87.04444	0.9
88.20673	0.7
92.08858	1.0
95.04934	14.2
97.02859	3.6
98.03655	11.3
99.04440	11.0
109.02873	19.3
113.05991	38.4
114.06785	0.8
115.50433	0.6
120.55168	0.7
127.03850	1.1
141.04416	1.4
141.05449	29.6
141.06566	1.0
155.06989	1.5
184.63373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03937	23.1
55.01862	20.8
55.05501	9.1
57.03420	4.6
57.07042	1.2
59.04966	1.5
61.02908	8.6
65.03928	11.5
66.34978	0.9
67.05488	5.3
69.03403	5.4
71.04977	23.8
75.04462	8.7
77.03885	1.2
78.04692	15.3
79.05461	8.5
81.03395	100.0
81.07037	1.6
82.04181	1.7
83.04954	1.6
85.02885	11.5
85.06519	18.7
87.04455	1.4
89.03902	6.1
91.05456	50.4
93.03379	15.1
93.07024	13.4
94.15007	1.1
95.04950	36.1
96.05733	1.5
97.02880	4.3
97.06519	11.0
98.03646	12.3
99.04431	10.9
103.05437	22.9
105.03386	3.8
105.04498	4.2
105.07009	1.7
106.04156	83.6
107.04942	5.8
107.08617	1.9
109.02863	19.6
109.06499	6.2
110.03653	1.1
110.07276	1.1
111.04429	1.4
113.05981	46.8
113.06744	1.9
114.06741	1.0
117.03367	4.4
119.04945	5.2
120.05718	1.2
121.06478	61.5
122.03636	1.3
122.07241	1.3
123.04400	4.3
124.05198	4.4
125.05953	12.5
127.03912	1.7
131.04904	3.6
133.02829	1.4
134.03593	15.1
135.04436	4.3
137.05951	17.0
138.06763	4.6
139.07523	5.6
141.05444	31.3
145.02835	2.3
147.04399	1.5
148.05191	7.3
149.05949	54.5
151.03914	1.7
151.07574	1.5
152.08366	1.3
153.05450	4.6
153.09065	11.9
163.07545	5.4
165.05464	1.0
166.06204	2.4
177.05424	22.2
181.08548	10.4
191.07039	2.2
209.08083	10.4
209.09898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.36156	0.9
53.03940	1.7
55.01860	1.1
55.05512	13.5
57.03415	7.2
57.07065	5.9
58.39827	1.0
59.05004	1.2
67.05489	10.5
68.39813	1.3
69.03410	6.7
69.07052	18.1
71.04975	1.7
71.55569	1.1
75.84334	1.1
79.05476	13.1
81.07035	19.7
83.04963	6.1
83.08613	3.0
85.06530	6.4
91.05457	16.5
93.07021	41.3
95.04945	1.7
95.08587	40.0
97.06511	1.5
105.07009	35.2
107.08585	71.5
109.06514	5.8
109.10137	18.2
111.08093	1.6
115.96403	2.7
117.07011	2.1
119.01909	6.1
119.08556	59.4
120.01979	9.5
121.06457	2.0
121.10107	12.8
123.08024	9.1
123.11718	9.1
127.12564	1.3
130.35602	1.2
131.08574	6.8
133.10106	51.1
133.97478	2.4
135.11668	100.0
137.02969	2.4
137.09622	8.8
137.13281	1.6
138.03036	5.7
142.03477	2.2
143.03568	12.6
145.10080	2.9
146.10930	2.2
147.11665	39.0
149.09627	2.9
149.13261	8.1
151.07555	7.7
151.11131	14.0
155.74277	1.3
161.04701	6.9
161.09642	1.4
161.13231	7.9
163.11182	1.5
163.14790	12.4
165.09082	6.3
165.12709	2.0
189.12762	8.0
189.16347	69.9
203.10315	1.3
207.13840	16.9
207.17413	46.8
207.19363	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	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03922	3.0
55.01857	2.1
55.05495	12.4
57.03424	5.7
57.07053	3.6
58.29343	2.4
62.32453	2.8
62.46095	2.4
63.22849	2.1
67.05487	10.6
68.28570	2.5
69.03417	11.9
69.07044	15.1
69.07400	2.3
70.16383	2.7
70.67251	2.4
71.04966	3.1
79.05462	12.1
79.54264	2.7
81.07054	21.3
81.81873	2.5
83.04951	5.2
84.96024	3.3
85.02873	4.2
85.06538	4.9
91.05460	14.2
92.08944	6.2
93.07018	41.6
95.08584	47.4
105.07011	33.0
106.64541	2.9
107.08585	75.4
109.10127	12.3
115.96419	12.4
116.97202	3.9
119.01882	15.6
119.08565	46.8
120.01972	24.6
121.10123	11.7
123.08038	3.3
123.11687	5.1
131.08582	3.4
131.53677	3.3
133.10112	45.8
133.97455	4.8
135.11671	100.0
137.02921	5.3
137.09613	11.4
138.03024	13.6
140.52879	2.7
142.03497	11.1
143.03636	27.6
147.11656	44.3
149.13231	5.1
151.11147	12.3
157.06569	2.9
159.11661	2.8
160.04552	5.8
160.12451	3.1
161.04639	19.7
161.13179	4.9
163.14825	5.6
174.14169	2.5
189.16353	94.0
197.68924	2.8
207.13718	3.4
207.17444	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.11345	1.5
55.05503	8.8
57.03425	3.2
57.07061	2.9
58.67980	1.6
61.16793	1.4
67.05489	7.9
69.03412	2.0
69.07063	11.6
79.05474	10.3
81.07045	16.0
83.04958	3.1
83.08627	1.7
85.06548	3.6
91.05455	11.8
92.09354	3.2
93.07018	39.0
95.08582	40.1
105.07015	34.5
107.08583	68.2
107.09296	3.6
108.40540	1.6
109.06482	2.7
109.10149	13.2
119.08561	51.1
121.10105	12.2
123.08038	2.6
123.11682	7.7
123.67132	1.7
131.08553	1.9
133.10103	46.6
135.11668	100.0
137.09612	7.4
137.13271	2.0
145.10069	3.4
147.11659	31.9
149.13217	4.0
151.11148	15.2
155.81711	1.8
159.11714	2.1
160.12485	1.8
161.13213	7.1
163.14873	11.2
189.16347	85.7
207.17421	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	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.98684	1.0
53.03935	1.0
55.05496	7.3
57.03423	5.5
57.07055	1.5
59.04985	1.3
62.02207	1.0
67.05484	8.9
69.03423	1.8
69.07055	10.9
78.92128	1.0
79.05449	8.0
81.07045	17.9
83.04974	1.5
83.08609	2.4
85.06542	5.6
91.05461	12.5
93.07023	39.5
95.04958	1.8
95.08587	31.5
102.00935	1.3
105.07014	25.7
107.07859	2.2
107.08581	65.4
109.06497	2.4
109.10152	12.7
111.07990	1.6
111.27165	1.1
115.96417	1.3
117.07008	1.2
119.01875	2.3
119.08562	56.1
120.02007	5.6
120.22749	1.0
121.10118	12.8
123.08059	4.3
123.11700	8.8
131.08549	2.8
133.10115	45.2
135.11673	100.0
137.09598	5.2
138.03020	1.7
142.03452	1.7
143.03580	4.8
145.10094	5.2
146.10931	1.4
147.11673	31.9
149.13243	5.8
151.11188	11.7
161.04659	2.4
161.13249	6.6
163.14754	10.7
189.16360	79.0
192.14687	1.6
207.17412	46.4
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	beta-Irone
Peak:m/z	Relative Intensity
53.03936	1.1
55.05502	9.2
57.03418	6.1
57.07066	2.3
67.05499	10.5
69.03408	4.4
69.07056	11.4
71.04972	1.7
79.05474	11.9
81.07040	20.7
83.04979	4.4
83.08591	4.1
85.02934	1.1
85.06536	2.6
91.05476	15.3
93.07027	34.7
95.08584	28.8
105.06359	1.5
105.07010	26.5
107.08580	69.4
109.06494	6.4
109.10154	12.4
115.96394	1.7
117.06956	1.3
119.01883	2.4
119.08564	51.1
120.01970	6.3
121.10114	13.4
123.08018	5.2
123.11696	7.4
131.08546	4.5
133.10106	46.4
133.97443	1.2
135.11671	100.0
137.09576	6.8
138.03036	2.3
142.03496	1.2
143.03587	8.3
145.10110	2.2
147.11665	32.8
149.13234	5.0
151.11142	14.2
159.07808	1.1
160.12372	1.8
161.04671	2.6
161.13210	5.2
163.14755	12.8
189.16354	70.9
198.31955	1.3
199.84967	1.1
204.04367	1.0
207.17418	40.1
207.19341	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	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03936	1.0
53.17704	0.8
54.41054	0.7
55.05503	8.1
57.03419	5.1
57.07059	4.2
64.92107	0.9
67.05489	9.0
67.05788	1.0
68.06281	0.8
69.03387	1.0
69.07047	11.9
71.04974	1.2
72.12461	1.0
79.05484	8.8
81.07040	12.1
83.04955	1.8
83.08608	1.2
85.06527	5.3
91.05457	13.2
93.07024	32.6
95.08591	31.4
97.10200	1.0
105.07024	21.6
107.08579	62.0
109.06478	2.1
109.10141	13.4
109.29385	1.0
111.08087	1.1
115.96406	2.4
116.97171	1.5
117.07002	1.2
119.01888	4.8
119.08557	43.6
120.01965	7.4
121.10112	10.6
123.08062	2.0
123.11726	6.7
131.08595	2.1
133.10104	47.2
133.97450	2.3
135.11670	100.0
137.09586	5.1
138.03024	1.6
142.03532	1.2
143.03546	5.9
144.03194	1.2
145.10080	4.5
147.11679	31.7
149.13225	5.0
151.11162	12.9
159.11618	1.3
160.10349	1.2
160.12469	1.1
161.04688	4.6
161.13203	6.3
163.14813	10.2
165.12672	1.4
189.16351	71.5
204.71361	1.3
207.17424	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
53.03933	0.4
55.05494	2.6
57.03425	0.5
57.13600	0.5
67.05496	1.0
69.03405	4.8
69.07046	2.6
69.62412	0.5
71.04966	1.2
71.63849	0.5
77.92941	0.6
79.05453	1.3
81.07039	5.0
83.04955	0.8
91.05465	7.1
92.08597	1.3
93.07013	5.0
95.08566	5.5
96.37773	0.6
105.06425	0.7
105.07004	19.7
107.08574	5.8
115.96406	2.6
117.07038	0.9
119.01873	2.4
119.08557	33.8
120.02015	3.2
121.06441	0.9
121.10110	2.1
129.06937	0.7
131.08524	7.4
133.10121	6.6
133.97371	0.6
135.11635	1.4
138.03020	1.2
140.46960	0.7
143.03586	3.0
143.08525	3.9
145.10085	4.6
147.08009	0.9
147.10567	1.2
147.11656	15.6
148.50089	0.6
156.09314	4.3
159.11632	0.8
161.04613	1.0
161.13229	20.4
163.11153	0.8
165.12764	4.7
165.59872	0.7
171.11581	5.9
189.12701	92.7
207.13765	100.0
223.36807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.18577	0.9
53.03934	1.6
53.48843	0.9
55.05265	1.1
55.05507	20.9
57.03443	0.9
59.04983	1.8
67.05469	2.2
69.03064	1.6
69.03416	31.4
69.03792	1.1
79.05489	8.7
81.07012	1.3
81.36574	1.1
83.04942	1.8
91.05454	16.5
93.07020	10.4
94.00839	1.0
95.04929	7.2
95.08582	5.6
103.05443	2.2
104.06197	1.2
104.19444	1.1
105.06998	16.9
107.04922	5.4
107.08542	7.7
108.05726	1.5
109.06485	7.6
115.05445	4.5
117.07024	6.9
119.04931	1.7
119.08575	11.1
121.06479	100.0
121.10147	4.0
123.08044	19.7
129.03343	1.1
130.07748	4.0
131.04918	2.0
132.05681	2.1
133.06468	48.2
133.07484	1.7
133.10088	2.0
135.08028	15.6
135.11630	3.8
136.05103	1.3
137.09563	1.1
143.08635	1.0
145.06471	4.1
145.10098	1.7
146.07240	2.0
147.04396	1.8
147.08012	5.1
147.11684	2.0
148.08827	2.4
149.02322	4.7
149.05928	5.0
149.09581	2.1
151.07504	6.2
159.08015	1.2
161.04578	1.5
161.05945	46.9
161.13271	1.4
162.06783	1.1
163.03928	1.3
163.07477	1.5
163.11142	93.0
164.04660	3.8
165.12695	2.0
175.07527	6.2
176.08278	75.7
177.05423	8.8
177.09059	5.6
179.06992	1.7
189.12732	6.6
189.89459	1.1
192.07817	5.3
196.32281	0.9
207.06548	5.5
207.10161	23.1
207.13744	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.04255	3.3
53.03928	6.4
54.81807	3.9
55.05499	26.2
57.07061	4.8
67.05489	39.6
69.03416	52.8
69.07043	31.6
71.04963	4.6
76.56162	4.0
79.05481	44.2
81.03371	8.9
81.07042	30.9
83.04973	15.9
91.05445	66.5
92.09411	8.4
93.07005	41.9
95.04959	26.4
95.08581	38.7
99.04391	6.7
105.07021	81.2
107.08566	74.7
109.06493	76.4
109.10129	5.6
111.08051	6.5
117.06990	7.9
119.04900	6.4
119.08564	100.0
121.06441	6.8
121.10114	36.4
123.04437	23.9
123.08057	25.5
123.11736	4.6
131.08525	7.4
133.06432	10.5
133.10104	94.4
133.11035	6.4
135.08041	51.1
135.22566	4.7
137.09557	47.0
143.08566	5.3
145.10048	6.9
147.04391	9.2
147.08040	4.2
147.11667	30.2
149.02293	17.6
149.09630	38.3
151.07527	6.5
152.08340	7.2
156.09343	19.0
161.05933	18.2
161.09561	6.4
161.13211	60.5
163.11185	10.3
164.04678	8.6
165.12791	7.2
167.61284	4.9
171.11647	8.3
175.03848	6.1
176.08333	27.8
179.06996	5.1
189.12737	34.0
196.36935	4.4
207.06509	20.3
207.13718	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03930	1.8
55.01855	3.9
55.05508	10.5
57.03428	1.7
57.07061	0.8
59.04979	4.9
59.57587	0.7
65.03933	0.8
67.05141	1.1
67.05492	26.1
69.03413	7.2
69.07039	5.5
69.31095	0.8
71.04984	1.7
79.05486	12.4
81.03385	3.3
81.07032	17.3
83.04963	5.4
85.02908	1.2
91.05456	21.0
93.07023	14.5
95.04945	15.9
95.08584	15.1
97.06489	1.3
99.04437	1.0
104.97672	0.8
105.07013	32.2
107.04928	4.9
107.08592	21.8
108.05704	2.0
109.06505	40.2
109.10140	26.9
111.08048	3.4
111.21376	0.9
117.06977	5.1
119.04921	1.8
119.05941	1.0
119.08561	38.3
121.06468	7.2
121.10111	7.8
122.07262	9.7
123.08040	23.7
123.11638	1.2
125.09618	1.4
131.08540	1.9
133.06483	4.1
133.10088	9.5
135.08029	11.3
135.11674	4.0
137.09596	100.0
143.08548	1.7
145.10075	3.8
147.04344	1.2
147.08032	4.8
147.11679	15.2
149.09604	12.6
151.07501	3.9
153.09061	3.7
156.09279	4.5
159.07970	0.9
159.11678	2.1
161.09590	1.1
161.13254	13.5
163.11006	0.9
165.09082	1.2
171.11687	4.2
174.10315	1.1
175.03818	1.7
177.12718	1.2
189.12694	9.5
197.53101	0.8
207.13754	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03955	0.5
55.01853	0.4
55.05506	7.4
57.07072	4.4
59.04985	0.6
64.43272	0.4
65.03922	0.7
67.05493	29.9
69.03407	2.7
69.07047	2.0
71.04946	1.2
78.31047	0.4
79.05476	4.3
81.07043	4.2
83.04960	2.7
85.06533	6.9
91.05462	7.7
93.07023	13.4
95.04950	3.0
95.08583	100.0
97.06499	0.5
103.05436	0.7
103.40319	0.4
105.07009	10.8
107.04876	0.4
107.08572	12.2
109.06499	5.3
109.10147	1.0
111.08054	0.8
113.05990	3.3
117.06995	0.8
119.08560	15.8
120.09368	0.6
121.06499	2.5
121.10123	9.5
123.08044	27.7
123.11679	3.2
129.06972	0.7
131.08537	2.9
133.06516	0.8
133.10092	3.9
135.08049	0.7
135.11665	3.7
137.09581	2.3
137.13272	0.6
143.08545	0.5
145.10144	0.6
146.77271	0.5
147.08026	2.2
147.11673	6.1
149.09599	39.6
151.07581	0.4
151.14792	0.9
156.09326	2.2
158.61101	0.4
159.08060	0.8
159.11679	0.5
161.09564	0.7
161.13231	6.9
163.11128	0.5
165.09123	0.6
165.12680	5.3
171.11684	2.7
174.10355	2.1
187.31348	0.4
189.12721	9.5
189.56244	0.4
207.13768	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	0.6
55.01859	1.1
55.05502	5.3
57.03413	0.3
57.07064	5.2
59.04980	1.1
64.33104	0.2
65.03919	1.2
66.79246	0.2
67.05489	30.5
69.03407	2.6
69.07047	1.7
71.04970	1.5
79.05470	4.2
81.03408	0.4
81.07033	3.8
83.04950	2.5
83.08575	0.3
85.02909	0.3
85.06523	6.9
85.07005	0.4
91.05453	7.1
93.07018	12.7
95.04957	3.5
95.08581	100.0
97.06507	0.5
103.05471	0.4
105.07008	12.4
107.04926	0.3
107.08569	13.4
109.06495	4.2
109.10150	2.2
111.08083	0.9
112.54603	0.3
113.05985	3.2
115.05472	0.3
115.26707	0.2
116.06195	0.6
117.07007	1.3
119.04899	1.1
119.08556	17.6
120.09332	0.3
121.06470	2.5
121.10115	10.7
123.08038	25.8
123.11650	2.9
125.09607	0.5
127.07595	0.3
129.06981	0.5
130.07736	0.3
131.08549	4.2
133.06471	1.3
133.07439	0.2
133.10101	3.7
135.08008	1.6
135.11667	4.0
137.09605	3.1
137.13217	0.9
143.08572	0.9
145.06458	0.3
145.10121	1.3
146.10910	0.3
147.04401	0.9
147.08026	2.7
147.11655	5.9
149.09592	40.8
151.07494	1.1
151.14804	1.1
153.09074	0.3
156.09325	2.1
159.08011	1.2
159.11632	0.3
160.08820	0.5
161.09560	1.0
161.13200	7.2
163.11153	1.2
165.09073	1.1
165.12720	6.4
171.11635	2.6
174.10333	2.3
175.26271	0.2
179.14272	1.2
189.12700	10.2
207.13756	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	206.1023
Annotation	N-Acetyl-L-rhamnosamine
Peak:m/z	Relative Intensity
52.21095	0.8
55.05508	22.7
56.04762	1.3
56.05029	32.4
57.03419	4.8
59.04984	1.6
60.04510	26.9
60.85473	0.8
63.78008	0.8
67.05492	10.6
70.06573	0.8
71.04966	1.3
72.04498	1.7
72.85944	0.8
73.06541	1.9
77.63985	0.8
80.19936	0.9
80.80550	0.9
82.06563	13.5
83.04964	45.3
84.49131	0.8
85.02896	2.2
100.07597	46.9
101.06001	55.3
111.04425	1.8
128.07059	1.0
129.05441	7.2
130.85292	0.9
142.07678	1.4
142.08611	50.0
146.08104	100.0
164.09164	1.2
170.08069	1.1
188.09148	28.9
206.13892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
61.56567	0.2
79.05460	0.5
85.02907	0.4
91.05460	3.6
95.04959	0.4
96.27711	0.3
103.05441	2.1
103.42836	0.3
103.84651	0.3
104.06217	0.4
105.03359	0.3
105.07005	4.4
107.04949	0.6
109.06480	0.3
115.05439	4.0
117.07020	2.2
118.04152	0.6
119.04926	0.4
119.08543	0.4
121.06492	4.5
121.65313	0.3
123.31381	0.3
129.03320	2.6
130.04085	0.6
131.04919	4.3
132.05685	3.8
133.06476	17.3
134.07227	0.4
136.05130	0.3
138.06752	0.7
139.07497	0.6
143.06076	0.5
145.06468	3.6
146.07266	2.9
147.04413	0.5
147.08026	4.9
149.05957	5.6
151.07507	5.3
160.05171	1.8
161.05951	62.9
162.06718	1.3
163.03862	0.4
163.07521	4.8
164.08301	1.7
174.06728	1.2
175.07532	7.9
176.08298	100.0
177.05443	9.1
177.09050	5.5
179.10616	0.7
187.02829	0.3
191.06979	1.2
192.07799	8.7
207.10136	33.7
216.03186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
54.11942	0.2
54.82039	0.3
55.05503	18.2
56.37600	0.3
56.52739	0.2
57.03425	0.4
57.07061	1.9
59.04983	1.3
65.03924	0.4
67.05490	41.7
69.03426	0.3
69.07056	3.3
71.04974	1.1
73.06541	0.5
79.05469	3.8
81.07037	100.0
83.08609	2.7
85.06527	1.9
91.05465	0.3
92.09232	0.8
93.07040	0.3
95.08591	3.3
97.10157	2.6
105.07015	0.4
109.10160	0.4
115.05456	1.4
117.06995	0.4
119.08585	1.8
121.02884	0.3
121.10192	0.3
123.11682	40.1
141.12714	11.9
145.06531	1.1
149.02307	1.9
152.46130	0.3
159.13753	2.3
170.80240	0.3
177.33667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	N-Acetyl-L-fucosamine
Peak:m/z	Relative Intensity
53.03943	0.9
55.01870	0.9
55.05504	24.4
56.00152	0.9
56.05028	34.8
57.03429	6.7
58.06575	4.3
59.04985	3.4
60.04512	35.6
60.08149	0.9
60.15582	0.7
60.82271	0.9
64.63687	1.0
64.89879	0.8
65.03916	1.6
67.05490	12.2
68.05000	1.3
69.03413	2.1
71.04973	4.5
72.04500	4.3
72.08128	1.6
73.02890	1.3
73.06532	5.6
74.06062	0.8
76.07627	1.1
77.17144	0.7
80.04990	3.6
82.06555	14.1
83.04965	51.3
84.04486	8.5
85.02898	9.0
86.73824	0.9
90.05529	1.7
92.08907	0.8
93.03364	1.1
96.08115	12.4
98.06013	1.5
99.04446	1.0
100.05178	1.0
100.07595	52.2
101.05996	58.8
110.06034	5.0
111.04401	1.8
114.05502	3.5
116.01651	11.3
119.01853	1.0
122.06028	1.8
124.07578	7.6
128.07065	3.6
129.05476	10.0
142.07477	1.1
142.08614	56.4
146.08101	100.0
152.07030	1.6
160.04242	5.0
160.09662	4.9
164.09126	1.5
170.08078	7.7
177.00288	0.9
188.09149	31.4
206.10193	14.0
206.14034	1.1
206.66109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71701	0.3
53.03942	0.3
53.52699	0.3
55.05507	18.5
57.03413	0.3
57.07067	2.3
57.13299	0.3
59.04988	1.6
61.53638	0.3
64.94894	0.3
65.03912	0.7
67.05495	44.1
69.07049	2.0
69.45753	0.3
71.04966	1.4
71.08604	0.4
73.06548	0.6
76.55804	0.3
78.68224	0.3
79.05478	3.4
81.07043	100.0
83.08620	2.4
85.06525	2.1
95.08596	3.5
97.10154	2.1
109.10161	0.4
115.05461	0.4
119.08577	2.1
123.11686	41.7
140.25903	0.4
141.12727	10.0
141.13741	0.6
145.06425	1.3
149.02321	1.5
159.13771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
50.55744	0.3
53.89705	0.3
56.96552	0.6
65.37563	0.4
68.49136	0.4
69.03426	0.4
69.39635	0.4
71.45772	0.3
74.02418	2.6
78.95251	0.6
81.42469	0.4
91.05455	1.9
92.09328	0.4
97.02850	0.4
97.87921	0.4
115.05396	3.8
117.05729	1.6
117.06979	4.1
117.85257	0.4
118.06517	55.8
119.97803	0.4
121.00777	0.6
121.02849	0.4
122.94202	0.4
124.40668	0.3
124.96931	0.4
130.06487	4.1
132.08060	14.8
139.01785	2.4
142.06497	6.4
143.07288	8.9
144.06912	0.8
144.08064	23.9
146.05986	100.0
149.02327	3.3
158.96304	0.6
159.09140	8.4
160.07559	2.1
163.01762	5.8
170.05974	9.5
181.02831	10.3
181.97784	0.5
184.20679	0.4
188.07024	64.0
205.09761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1343
Annotation	N(6)-glycyl-L-lysine
Peak:m/z	Relative Intensity
50.51055	1.1
52.03831	1.2
54.81768	1.4
57.03418	2.8
57.04547	14.6
57.49982	1.1
59.92198	1.1
60.02398	1.4
60.04498	1.7
60.08143	3.2
62.19995	1.1
70.06576	9.4
71.04975	67.1
71.05745	1.9
71.06094	40.2
80.39305	1.2
84.08115	1.6
84.25384	1.2
85.02889	68.4
88.07618	3.3
88.08772	9.8
89.16293	1.4
96.04471	1.5
97.02845	2.8
99.04430	5.8
102.96861	1.8
117.05499	5.0
120.97876	2.1
121.96633	1.9
134.08102	17.4
138.05556	2.3
142.08678	1.6
145.04984	1.6
158.12860	68.2
186.07553	1.8
204.06970	3.6
204.13438	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	204.0866
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
53.03924	0.6
53.16886	0.5
53.33414	0.7
55.01841	1.3
56.05026	9.6
56.96543	0.8
57.03164	1.1
57.03421	14.9
58.03755	1.5
59.04987	0.9
59.27573	0.6
60.04230	1.3
60.04509	18.6
60.08143	7.9
61.02922	6.6
65.89806	0.8
68.05017	7.9
69.03409	6.7
70.06575	46.4
71.04971	8.5
71.06087	4.0
72.04484	0.8
73.02909	5.9
73.03237	0.7
74.64491	0.7
81.03390	3.1
82.06566	1.0
83.01332	0.8
83.04957	0.8
83.76746	0.7
84.04492	16.8
84.08112	1.1
84.34732	0.7
85.02888	100.0
86.06055	9.4
86.09676	6.9
87.04433	0.8
87.10010	0.7
88.02666	1.3
88.08731	0.7
94.02653	0.9
94.90170	0.8
96.04466	17.2
97.02866	23.1
98.06039	6.0
99.04420	1.8
100.07604	1.3
101.00833	0.9
102.05515	3.2
103.03916	27.8
109.02884	1.2
110.06017	2.9
111.02884	0.8
112.07593	1.7
114.05506	45.5
115.03883	1.5
116.07053	0.9
117.05510	0.8
119.01888	4.2
121.01686	1.1
121.96597	1.8
126.05502	13.5
127.03889	3.0
131.01889	4.1
134.08090	1.1
138.05481	23.1
138.98923	0.8
140.07063	1.7
143.01979	0.8
144.03290	0.8
144.06541	11.1
144.10136	1.7
145.03490	2.7
145.04898	6.1
155.01926	1.4
156.06519	1.1
158.08093	34.8
158.11708	1.3
158.12834	6.2
161.02901	5.3
168.06573	1.7
172.03120	0.9
173.02921	5.2
175.02600	0.8
181.03685	0.8
185.02965	3.4
186.07620	4.5
203.04025	0.8
204.08650	49.8
204.12192	9.8
204.13618	5.4
205.58336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05500	16.9
57.07051	4.4
58.50008	2.5
61.92823	2.6
67.05502	30.9
69.07058	27.5
77.05475	3.0
79.05464	14.6
81.07045	37.9
83.08607	3.2
91.05474	19.2
93.07047	29.7
95.08591	63.9
96.94167	2.4
102.96848	12.3
105.07022	74.7
106.43313	2.6
107.08569	53.9
109.10149	46.7
117.65862	2.8
119.08558	59.6
120.96495	36.7
120.97889	11.0
121.10132	16.3
123.11671	10.9
124.69819	2.7
131.08559	3.4
133.10104	57.1
135.11664	3.7
135.98779	3.8
138.98888	5.5
147.11659	53.9
156.32147	2.8
156.96211	6.3
161.13216	19.6
175.14784	5.9
179.97876	14.4
203.14423	4.6
203.17928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
54.19587	2.5
54.24451	2.8
55.05495	13.1
57.07072	32.5
59.42377	2.6
67.05496	13.4
68.58118	3.1
69.07033	11.4
70.86412	2.6
72.12479	2.9
79.05484	3.7
81.07037	17.5
83.08587	4.0
91.05453	19.5
93.07057	5.8
95.08584	35.3
102.96848	12.2
105.07003	61.7
107.08571	19.1
107.98148	2.6
109.10130	28.0
110.20712	3.0
119.08562	84.2
120.96499	33.5
120.97884	12.6
121.10125	16.4
131.08603	2.9
133.10101	74.1
133.38200	3.5
135.11655	3.5
138.98918	12.4
145.10098	12.0
147.11652	100.0
147.12741	4.9
156.96245	15.2
156.99982	3.5
159.11678	5.8
161.13228	47.5
175.14830	4.7
179.97806	16.3
203.17934	85.1
215.62689	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	203.1795
Annotation	Curcumene
Peak:m/z	Relative Intensity
55.05499	10.9
57.07073	30.0
67.05485	15.5
67.92355	2.3
69.07050	11.9
69.85155	2.2
73.38591	2.3
77.14697	2.7
79.05499	3.8
81.06563	2.3
81.07034	13.7
83.08617	3.3
91.05476	15.1
93.07015	10.3
95.08587	26.6
105.07021	60.9
107.08568	15.4
108.61001	2.7
109.10162	24.3
119.08559	63.4
120.96474	13.0
121.10111	12.8
131.08540	5.4
133.10117	59.3
135.98795	3.2
145.10124	11.7
147.11674	100.0
157.13533	3.1
159.11617	3.7
160.12411	2.9
161.13242	47.3
179.97821	4.3
203.17940	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Curcumene
Peak:m/z	Relative Intensity
54.81692	1.5
55.05503	7.2
55.64104	1.2
56.67603	1.1
57.07066	1.7
57.72203	1.2
57.91144	1.5
60.32561	1.3
60.95834	3.2
65.55559	1.4
67.05491	11.3
67.28254	1.2
69.07047	20.1
70.11027	1.2
79.05487	10.8
79.93850	1.5
81.07036	52.4
83.08633	2.2
91.05445	19.7
93.07014	11.5
95.08590	12.1
96.04477	1.8
99.02226	1.5
102.96837	11.7
105.07014	100.0
107.08585	9.7
109.10143	12.0
117.07018	8.9
119.08555	92.9
120.96505	21.7
120.97841	14.1
121.10136	8.6
131.08539	2.8
133.10092	23.1
133.10851	1.3
135.98813	1.5
138.98906	11.2
145.10132	7.7
147.11655	43.7
156.96243	3.0
157.00000	1.8
160.12424	8.0
161.13184	13.3
174.97256	1.9
179.97832	7.4
180.01518	1.7
203.17905	43.7
203.19687	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	Ile Ala
Peak:m/z	Relative Intensity
55.01860	1.0
56.96556	0.6
57.03426	2.0
57.65179	0.2
59.04982	1.3
60.04511	0.4
62.87050	0.2
62.92978	0.5
67.00260	0.3
67.05500	0.5
69.03411	0.7
69.07057	4.5
71.04971	0.4
73.02892	0.3
83.04984	0.4
84.08148	1.5
85.02908	0.5
86.06087	0.3
86.09695	100.0
87.04490	0.5
90.05544	0.4
92.09109	1.0
97.02863	1.1
97.06462	0.3
97.93705	0.3
98.97599	0.6
119.01913	1.4
120.02023	0.4
120.96507	1.5
120.97885	0.5
121.96626	1.7
130.06535	1.5
133.60277	0.3
138.03081	0.6
143.03462	1.0
157.07669	2.4
161.02986	0.4
171.02826	0.5
179.97864	0.6
180.04272	0.4
203.05403	0.3
203.08418	0.3
203.13828	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	203.1279
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01862	7.2
55.05508	28.7
56.96550	2.6
57.03436	9.8
57.07062	2.5
60.52068	1.0
64.08670	1.0
67.05492	39.6
69.03418	23.5
69.06712	1.9
69.07056	40.7
70.37433	1.0
71.04976	37.2
79.05479	67.3
81.03383	1.6
81.07037	29.4
83.04970	14.6
83.08596	2.1
85.02919	4.1
85.06490	1.4
87.04454	32.3
91.05444	8.8
93.07029	91.7
95.04953	2.7
95.08588	100.0
97.02850	1.8
97.06511	20.4
97.10153	1.2
98.97559	9.2
101.06004	2.5
102.96854	1.6
105.07012	5.8
107.04943	8.5
107.08585	13.3
109.06543	1.4
109.10143	2.5
111.04449	1.3
111.08069	4.5
111.11714	2.3
113.05981	7.8
113.09607	7.7
115.03915	12.2
116.98611	6.2
119.01869	1.3
119.08526	1.1
120.01979	1.1
120.96500	1.9
120.97865	2.0
121.06499	4.2
121.10126	87.5
123.08043	1.3
125.05988	5.3
125.09590	7.7
129.05466	1.2
131.08548	5.5
134.99626	1.5
135.08034	1.8
137.02878	1.5
139.11157	50.6
143.00165	1.4
149.09595	9.6
153.09178	1.4
157.12218	28.3
158.99686	1.7
167.10645	6.9
185.11742	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	203.1278
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.00316	1.1
55.01862	5.6
55.05268	1.3
55.05507	27.9
55.27554	1.2
56.71679	1.1
56.96558	2.4
57.03431	9.7
57.07042	1.5
57.09140	1.0
59.04980	2.4
60.04508	1.6
65.03931	1.5
67.05493	42.2
69.03416	29.3
69.07055	37.2
71.04977	41.9
73.02896	1.7
79.05478	64.7
81.07040	33.7
82.56118	1.4
82.64749	1.4
83.04964	16.9
83.08601	2.4
85.02911	1.5
85.06510	2.2
87.04452	30.6
87.34579	1.2
91.05453	9.2
93.07024	100.0
95.04942	2.7
95.08586	98.9
95.94816	1.2
97.02881	2.1
97.06502	22.6
98.97563	2.9
100.02467	2.4
101.00864	1.4
101.06010	3.2
102.96861	5.8
105.07008	5.8
107.04936	2.1
107.08583	8.1
109.10156	1.6
111.04442	1.8
111.08093	2.3
113.09641	7.0
115.03916	9.2
116.98570	2.0
119.01885	11.8
119.08567	1.4
120.02013	7.4
120.96478	11.3
120.97854	2.9
121.10119	84.5
121.96647	7.2
123.08096	1.5
125.09604	1.6
131.08514	1.9
137.02951	2.3
138.03069	6.6
138.98915	9.9
139.11151	45.4
149.09653	5.1
156.96169	1.9
157.12228	31.0
161.02988	5.5
161.06282	1.4
163.01720	2.2
163.03925	1.7
167.10574	1.6
178.93547	1.5
179.97800	2.5
180.04298	2.9
181.02850	2.6
185.11626	5.5
201.20186	1.4
203.05408	1.5
203.12694	1.6
211.73032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66307	0.5
53.03933	1.2
54.81936	0.6
55.01855	4.4
55.05507	8.4
56.96546	0.8
57.03217	0.5
57.03430	7.6
57.07068	6.2
61.02915	6.6
61.82842	0.5
67.05518	0.8
67.27831	0.7
69.03419	15.8
69.07055	8.8
71.04980	1.5
71.08590	0.8
72.04491	0.9
73.02893	5.6
79.05446	0.9
81.03403	4.6
81.07026	1.4
83.04957	1.5
83.08601	7.9
85.02892	62.8
86.06032	1.3
87.04467	0.9
89.23183	0.7
91.03937	4.8
93.07003	0.7
95.06079	2.8
95.08596	1.0
96.08118	0.8
97.02868	16.1
97.06507	0.6
97.10150	3.1
99.04391	5.0
100.07610	2.9
101.02345	2.9
107.08558	0.8
108.04444	1.3
109.02869	3.5
110.09653	0.8
115.03922	1.6
120.56991	0.7
121.10094	0.6
125.09602	0.8
127.03886	20.5
145.04944	15.8
145.06064	0.9
145.57086	0.6
151.04288	0.7
152.07042	3.9
155.05756	0.7
163.06006	6.9
170.08127	4.4
180.02936	1.0
180.06534	0.8
180.08574	1.2
181.02582	6.5
198.07640	6.9
198.18504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.72946	0.4
53.03941	0.5
55.05500	0.6
67.05495	1.9
69.03405	0.8
69.53113	0.5
70.95848	2.8
72.93763	0.9
76.56649	0.5
79.05488	3.9
79.08924	0.5
81.07046	2.2
83.04964	0.5
91.05461	13.8
92.08663	2.1
93.07030	9.2
95.04952	2.0
95.08576	1.1
95.96439	0.5
103.05383	0.6
105.03371	0.6
105.07016	23.3
107.04893	0.6
107.08582	100.0
109.06503	5.7
109.10150	4.0
111.98462	1.1
117.07080	0.6
118.07814	0.6
119.04945	1.2
119.06051	1.2
119.08556	5.9
121.06477	2.9
121.10155	0.6
123.11716	0.9
131.08559	2.7
132.95816	2.8
133.10112	68.5
135.11665	11.7
137.05949	3.1
137.09572	2.5
139.07582	0.6
143.08556	1.1
146.07233	3.2
150.96873	5.6
151.11163	3.3
155.97395	0.7
161.09601	16.7
165.05452	0.6
173.98457	2.5
175.56416	0.5
179.09207	0.9
179.10652	16.4
197.11703	44.4
218.80865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03927	4.1
55.01858	0.7
55.05490	1.8
57.03418	1.2
59.04985	0.9
67.05489	0.9
70.95837	4.8
71.53466	0.7
72.93766	1.5
75.39913	0.7
79.05484	8.1
81.07040	5.0
91.05459	12.5
93.07025	12.3
95.04944	14.2
95.08581	0.9
97.59409	0.7
105.03366	100.0
105.07002	16.3
107.08564	31.3
109.06492	5.8
109.10147	1.7
111.98435	1.6
114.16433	0.7
119.04896	0.9
119.08553	3.6
121.06470	1.4
123.04364	4.5
123.11671	1.1
125.05962	1.8
131.08502	1.1
132.95821	7.5
133.10098	34.2
135.11659	19.2
137.05945	7.3
137.09621	1.2
147.04402	4.0
150.96854	12.3
151.03876	1.1
151.11113	0.9
155.97386	1.6
161.09567	11.6
165.05464	1.0
173.98453	6.4
179.07051	3.3
179.10622	33.9
188.74109	0.8
197.11674	24.9
197.13318	1.2
198.18527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03933	4.6
54.22187	0.4
55.01857	0.6
55.05506	1.0
57.03418	0.6
58.63949	0.4
59.04980	0.9
59.98140	0.4
62.92554	0.4
67.05482	2.0
69.07010	0.5
70.95842	1.9
71.92564	0.5
76.17826	0.5
78.04639	0.5
79.05474	6.0
81.03397	0.5
81.07025	3.9
91.05453	9.2
93.07024	7.8
95.04951	14.5
95.08583	0.7
97.13053	0.4
105.03374	100.0
105.04524	2.8
105.07006	12.2
107.04942	0.7
107.08575	21.8
109.06496	4.1
109.10134	2.7
111.98468	0.9
119.04945	0.7
119.08561	2.2
121.06452	0.9
123.04388	3.0
123.11649	1.0
125.05981	1.0
132.95804	3.5
133.10112	26.1
135.07996	0.6
135.11662	12.1
137.05968	3.4
137.09631	0.7
147.04372	4.1
150.96855	5.4
151.07529	0.8
151.11159	1.0
155.97375	0.6
161.09584	9.1
168.99989	0.6
173.98473	2.9
179.07033	2.7
179.10625	23.2
197.11694	19.5
206.61647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.05490	4.1
59.04976	2.6
67.05486	6.5
69.03411	2.0
69.07060	1.3
69.89253	0.9
70.95856	7.8
72.93764	1.4
73.02886	1.0
77.67100	0.9
78.77000	0.9
79.05479	10.2
81.07043	12.5
83.04948	1.2
91.05458	26.8
93.07022	31.7
94.04131	1.1
95.04964	11.8
95.08582	4.0
105.07015	41.7
106.35796	1.0
107.08581	87.7
109.06512	12.1
109.10146	10.3
111.98441	2.5
115.50849	1.2
119.04957	4.4
119.08562	10.9
120.09325	1.3
121.06492	7.7
123.04416	5.2
123.11678	5.0
129.99446	1.2
131.08549	4.3
132.95839	10.8
133.10107	94.0
135.08040	2.5
135.11673	54.0
137.05983	7.6
137.09601	6.8
143.08560	1.5
146.07231	4.9
150.96863	18.3
151.11179	6.2
155.97385	3.9
161.09589	41.5
163.55542	1.3
165.05447	1.4
168.52910	1.0
173.98433	7.9
179.10645	100.0
197.11699	87.3
197.13548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
54.22187	0.4
55.01857	0.6
55.05506	1.0
57.03418	0.6
58.63949	0.4
59.04980	0.9
59.98140	0.4
62.92554	0.4
67.05482	2.0
69.07010	0.5
70.95842	1.9
71.92564	0.5
76.17826	0.5
78.04639	0.5
79.05474	6.0
81.03397	0.5
81.07025	3.9
91.05453	9.2
93.07024	7.8
95.04951	14.5
95.08583	0.7
97.13053	0.4
105.03374	100.0
105.04524	2.8
105.07006	12.2
107.04942	0.7
107.08575	21.8
109.06496	4.1
109.10134	2.7
111.98468	0.9
119.04945	0.7
119.08561	2.2
121.06452	0.9
123.04388	3.0
123.11649	1.0
125.05981	1.0
132.95804	3.5
133.10112	26.1
135.07996	0.6
135.11662	12.1
137.05968	3.4
137.09631	0.7
147.04372	4.1
150.96855	5.4
151.07529	0.8
151.11159	1.0
155.97375	0.6
161.09584	9.1
168.99989	0.6
173.98473	2.9
179.07033	2.7
179.10625	23.2
197.11694	19.5
206.61647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.04895	0.3
51.02369	0.5
53.03937	3.8
55.05502	2.0
57.03425	2.4
59.05008	0.6
62.66262	0.4
64.92072	0.4
67.05491	2.2
69.03416	0.8
70.95851	2.8
72.93756	0.7
74.43257	0.4
76.01024	0.4
76.46578	0.4
77.03920	0.9
79.05470	7.5
81.07031	3.5
91.05448	9.5
92.09103	0.8
93.07018	9.4
95.04337	0.5
95.04945	13.8
95.08570	0.7
105.03372	100.0
105.04517	3.5
105.07012	16.0
107.08569	25.9
109.06473	3.7
109.10164	2.2
111.08049	0.5
111.98453	1.1
113.36356	0.4
117.06920	0.5
119.04943	1.2
119.06013	0.6
119.08567	2.8
121.06454	2.0
123.04399	3.4
123.08067	0.6
123.11613	0.7
125.05949	2.1
127.03910	0.7
131.08537	1.0
132.95798	2.8
133.10107	27.4
135.08040	0.6
135.11665	13.2
137.05945	4.0
137.09615	2.2
137.33128	0.5
143.08530	0.5
146.07242	0.7
147.04407	1.8
150.96843	5.7
151.11160	2.7
155.97408	0.8
161.09595	11.7
173.98462	2.7
179.06993	2.7
179.10637	30.5
197.11688	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.47269	0.2
53.03938	0.3
55.01869	2.1
57.03086	0.2
57.03420	0.2
65.03922	1.7
67.05490	2.2
70.95852	3.3
72.93768	1.4
73.02896	15.1
79.05492	0.4
81.07005	0.3
88.96873	0.3
90.47695	0.2
91.05444	2.6
92.08704	0.6
92.09248	0.5
93.03380	1.2
95.04963	1.9
95.05471	0.3
95.08551	0.3
105.03387	0.4
108.02073	1.3
109.02846	0.4
109.06512	0.5
110.03651	2.8
111.04414	2.0
111.98428	2.0
113.96404	0.3
119.04926	1.6
119.90643	0.3
125.05967	9.3
125.64130	0.3
129.99490	1.1
132.95815	4.7
137.05951	1.8
141.05460	4.2
149.04964	0.4
149.05940	3.0
150.96867	9.3
151.03882	100.0
151.04994	10.5
151.07407	3.3
155.97383	1.3
173.98460	3.5
179.07005	11.6
197.08055	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	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02366	0.4
53.03939	3.8
53.13567	0.2
55.01849	0.3
57.03422	3.4
59.07602	0.2
70.95846	2.7
72.93777	1.6
77.03909	1.0
78.75401	0.3
79.05471	10.9
81.03407	0.2
81.07035	1.0
88.74164	0.2
88.96897	0.3
89.06951	0.2
90.94791	0.3
91.05430	0.4
92.09331	0.2
95.04942	11.4
105.03370	100.0
105.04521	3.0
106.03720	0.2
107.08562	0.4
109.06510	1.9
111.97707	0.3
111.98441	2.3
113.46814	0.3
119.04965	0.3
123.04397	6.1
129.99501	1.1
132.95799	5.0
137.05959	2.1
150.96863	10.1
155.97398	1.6
165.05479	0.3
168.97911	0.3
173.98439	4.1
178.91170	0.2
179.07004	4.9
184.11935	0.2
197.08112	0.3
214.71527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	3.9
55.01869	2.6
55.05506	27.0
57.03421	2.8
65.03879	1.9
65.19087	1.8
65.94407	2.0
67.05493	75.8
69.07056	18.9
71.01314	2.1
71.04980	4.1
79.05475	47.1
81.03402	10.5
81.07043	100.0
83.04986	5.3
83.08596	14.4
85.06528	4.5
91.05470	36.6
92.08960	14.3
93.07033	47.7
95.04959	11.8
95.08585	34.1
97.06545	10.8
100.48871	2.3
105.07022	15.6
107.08571	26.3
111.08075	2.6
117.03378	5.6
117.07003	5.8
119.08523	2.3
121.10129	10.3
123.11696	5.4
131.08571	10.6
133.10120	18.4
135.04469	3.8
135.11688	20.3
145.02817	5.1
149.13237	15.1
159.11668	5.3
163.03871	52.1
177.05424	8.9
177.12767	2.8
195.13837	14.9
208.52214	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	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02357	1.0
51.70737	0.9
53.03931	5.1
55.01851	2.2
55.05499	24.7
57.03423	4.4
57.07065	1.1
64.33776	1.2
65.03925	1.8
67.05489	69.3
67.79703	1.0
69.07047	17.6
71.01318	1.6
71.04975	4.8
77.98142	1.1
79.05473	43.1
81.03396	8.8
81.07034	100.0
83.04954	8.8
83.08603	13.3
85.06526	2.2
91.05458	37.6
93.07017	54.2
94.92823	1.2
95.04951	9.4
95.08582	23.8
97.06532	9.4
105.07008	14.1
107.04973	1.3
107.08567	25.4
109.10148	1.9
111.08060	2.0
117.06977	10.3
121.06491	4.8
121.10107	5.4
123.11656	1.4
128.13196	1.2
131.08527	7.4
133.02898	1.6
133.06476	5.7
133.10107	16.1
135.04440	1.9
135.08087	2.1
135.11670	16.0
140.93149	1.0
145.02756	1.8
149.13206	13.2
149.97144	1.4
151.11174	1.6
159.11685	8.1
163.03845	17.2
177.12723	7.8
192.18858	1.0
195.13759	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	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03921	2.9
55.01865	3.0
55.05502	2.8
57.32045	0.7
64.79928	0.6
65.03919	1.6
67.05480	3.6
68.08158	0.6
69.03416	0.8
69.07032	3.6
70.92513	0.7
77.39729	0.7
77.79958	0.7
78.04708	1.6
79.05480	18.2
81.03390	5.0
81.07046	6.5
83.08595	0.9
89.03898	24.9
91.05461	13.2
93.03352	0.9
93.07022	7.0
95.04959	9.0
95.08585	5.9
98.97576	1.0
103.05451	12.5
105.03377	1.2
105.04533	1.2
105.07021	17.4
106.04159	3.6
107.04944	100.0
107.08593	6.6
109.02862	1.3
109.06498	1.5
109.10138	3.9
109.77768	0.9
111.04443	1.6
115.05434	10.2
117.03365	53.2
117.06995	1.3
119.04916	1.2
119.08572	0.9
120.05697	3.8
121.06468	4.4
121.10098	5.0
123.04388	3.0
124.05172	1.5
125.05974	13.8
130.96233	0.8
133.02739	0.7
133.10071	0.9
134.03595	9.9
135.04388	8.1
135.08025	21.4
137.05972	1.3
138.47112	0.7
139.03859	1.6
145.02835	69.0
145.07599	1.0
147.04388	3.7
148.97302	0.8
149.05972	23.8
149.09666	1.9
149.13205	1.8
152.04645	1.3
154.06226	4.6
162.03160	1.4
163.03886	10.9
163.07510	20.3
165.05521	1.4
167.07008	27.0
167.14311	1.0
175.90695	0.8
177.05440	56.0
177.16321	2.9
180.07802	6.7
195.10141	28.6
195.13680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
63.02345	0.5
64.33176	0.6
66.52518	0.6
67.05497	0.5
75.55582	0.6
78.04701	0.9
79.05466	2.3
81.03390	0.6
81.07014	0.9
89.03896	33.9
91.05452	6.0
92.05827	0.6
92.08878	1.1
93.07016	1.2
94.74921	0.6
95.04936	1.2
103.05444	2.4
106.04140	2.8
107.04948	3.5
111.78798	0.5
116.98582	0.7
117.03358	78.1
121.06459	3.5
125.05983	0.7
134.03595	12.0
135.04387	10.7
135.08145	0.6
145.02827	91.4
149.05956	33.9
153.05476	0.7
160.79863	0.5
162.03076	3.3
163.03885	10.4
165.97774	0.5
177.05429	100.0
178.05827	0.7
195.06424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.21151	0.3
52.96874	0.4
53.03947	0.5
57.03424	0.6
59.49112	0.4
59.67071	0.3
63.27589	0.4
65.53659	0.4
78.04704	0.6
79.05491	1.8
81.03403	2.5
81.07042	0.6
81.39893	0.5
82.22945	0.4
83.04957	0.4
89.03898	36.7
91.05457	3.7
93.03380	0.7
93.07027	1.0
95.04971	1.0
98.97585	0.8
99.04379	0.5
103.05459	2.2
106.04159	2.4
107.04955	2.1
107.08588	0.5
109.02887	0.7
116.98560	0.7
117.03358	76.7
119.04953	0.6
121.06453	3.4
121.10029	0.6
124.05200	0.7
125.05979	1.7
130.96327	0.6
134.03615	11.7
135.04398	12.3
135.08069	0.7
140.40559	0.4
145.02829	100.0
147.04443	0.5
148.97336	0.8
149.05954	31.5
162.03041	3.7
163.03870	10.7
167.06946	0.6
177.05431	90.5
195.06482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.54634	0.5
52.59293	0.4
52.67675	0.5
54.97295	0.4
67.05492	0.8
71.02669	0.5
78.04681	1.1
79.05485	2.8
79.76651	0.5
81.07043	1.0
89.03894	32.0
91.05460	5.4
93.03380	0.8
93.07018	3.0
95.04971	2.8
103.05451	2.5
105.06980	0.6
105.87302	0.5
106.04156	3.5
107.04934	2.7
107.08587	1.2
111.04427	1.2
117.03355	73.8
121.06481	3.3
121.10115	2.0
133.87729	0.7
134.03619	11.2
135.04393	14.1
137.09602	0.9
145.02821	100.0
147.51787	0.5
148.97365	0.9
149.05952	31.0
153.05318	0.6
162.03093	3.2
163.03870	15.5
163.05157	0.8
177.05424	91.0
186.05475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01871	0.7
56.96544	0.6
58.28724	0.6
65.03922	3.8
65.19744	0.6
65.42507	0.6
69.07039	1.0
70.12923	0.6
76.19013	0.6
78.04668	1.1
79.05468	1.1
81.03378	1.4
89.03900	33.6
91.05470	6.5
93.03378	7.6
93.07012	1.5
95.04909	0.7
98.97589	0.7
103.05463	1.1
105.07014	0.8
105.71690	0.7
106.04141	4.2
107.04927	2.5
107.08555	1.0
107.22028	0.6
109.02857	0.8
111.04427	13.5
117.03358	81.3
119.04941	1.0
121.06474	2.6
124.05138	0.8
125.05958	10.2
125.10046	0.7
134.03615	12.0
135.04399	10.1
145.02824	100.0
148.97324	1.0
149.05959	35.7
153.05446	16.6
153.97873	0.7
162.03087	4.1
163.03880	11.4
171.08563	0.7
177.05431	94.4
195.06448	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.87114	3.0
54.81939	3.6
55.05502	20.2
57.07050	4.8
67.05481	23.9
69.07053	17.5
79.05478	5.2
81.07027	36.5
81.99709	4.0
83.04968	9.5
83.08619	7.3
91.05444	6.3
93.07036	30.7
95.08594	47.0
100.25898	4.8
105.07009	25.0
107.08569	61.8
109.06524	17.0
109.10134	75.2
111.08073	7.5
119.08566	60.8
121.10144	32.1
123.08034	33.0
123.11706	15.6
125.55000	3.8
133.10094	40.5
135.11670	100.0
137.09592	22.4
149.13208	8.8
151.11237	4.9
175.14775	37.2
187.63257	3.8
193.15826	57.3
207.63268	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	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
54.43579	1.7
55.05490	1.8
63.16190	1.7
69.07068	8.4
79.05490	4.8
81.07034	3.4
91.05466	2.5
93.07035	16.2
95.04980	2.2
95.08613	4.1
105.07021	18.3
107.08604	10.6
109.10146	4.7
119.08568	25.0
121.10126	100.0
123.08012	2.3
133.10109	44.5
135.11688	3.2
137.09685	3.1
137.19913	2.1
147.11615	6.7
149.13232	5.0
175.14799	57.9
189.64949	2.0
193.15846	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	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05502	11.7
57.07060	6.3
57.89045	1.0
59.04982	1.7
64.33303	1.2
65.03927	1.2
67.05487	23.1
69.03419	1.3
69.07050	15.2
79.05474	7.8
81.07027	18.0
83.04948	1.7
83.08589	4.5
85.06525	2.8
86.24167	1.2
91.05460	15.9
93.07024	17.7
94.04158	1.8
95.04939	2.5
95.08582	44.9
103.05444	5.1
105.03361	1.3
105.07011	51.6
107.08567	19.1
109.06523	2.7
109.10136	50.5
115.05403	4.9
117.06996	4.5
118.04156	2.6
119.08554	93.6
121.10126	8.6
122.03602	1.8
123.08024	2.8
123.11708	1.6
129.00214	2.0
131.08553	5.1
133.02834	8.0
133.06458	14.6
133.10101	97.8
134.10876	1.5
135.11671	26.7
137.09586	16.3
145.10097	7.7
147.11674	27.7
149.13281	9.5
150.03120	4.7
151.14793	7.0
159.11690	1.3
159.51669	1.6
160.12460	7.1
161.05965	9.4
175.14781	100.0
178.02551	34.5
193.04906	31.8
193.08647	2.7
193.15843	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.89680	1.3
51.55910	1.6
53.03935	2.5
54.25584	1.3
54.81842	1.5
55.01846	2.0
55.05490	8.1
55.07900	1.2
57.07056	8.5
59.25040	1.3
65.03914	2.8
67.05479	7.9
69.07033	11.6
71.04959	8.0
77.44426	1.3
79.05466	27.6
81.07031	28.0
83.04963	3.1
83.08583	2.0
85.06513	6.2
91.05452	29.4
92.08984	11.6
92.50277	1.6
93.07020	49.0
93.78075	1.5
95.04926	6.3
95.08571	32.2
97.06511	2.5
99.08086	2.1
103.04433	1.5
103.05448	9.0
105.07008	87.5
107.07874	2.4
107.08575	67.5
109.06494	2.3
109.10125	12.6
115.05447	13.7
117.06976	3.3
118.04105	10.5
119.08559	71.7
121.10114	10.1
122.03614	3.8
123.07992	2.4
123.11681	12.3
131.08516	2.1
133.02832	30.1
133.06470	32.1
133.10100	100.0
135.11661	90.9
137.05920	7.0
137.09576	8.8
143.05980	2.9
145.10048	1.9
147.11647	9.1
149.02299	8.5
149.03418	1.8
149.13216	2.9
150.03085	14.6
151.11169	2.4
156.82948	1.8
160.12453	1.5
161.05937	26.7
175.14767	63.4
178.02562	56.4
193.04918	80.6
193.08525	6.5
193.15822	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.26831	0.5
53.03922	0.6
55.01857	2.9
55.05500	2.8
57.03414	0.6
57.81403	0.5
59.04996	0.6
64.33567	0.5
67.05489	5.6
69.03407	1.2
69.07044	4.5
71.04964	0.8
72.56593	0.5
79.05471	27.6
81.03373	0.7
81.07030	6.1
83.04961	0.9
85.06488	0.6
90.04639	0.7
91.05458	65.4
92.09309	2.4
93.07016	6.4
95.04935	3.4
95.08578	4.6
99.08066	0.7
102.09856	0.5
103.05452	11.8
104.06282	0.8
105.07012	86.6
107.08567	3.9
109.06500	1.3
109.10132	2.5
113.64130	0.6
115.05425	15.1
117.07005	7.1
118.04149	7.8
118.22304	0.6
119.08559	100.0
121.10129	3.2
123.08044	0.8
123.11679	0.8
131.04903	2.2
131.08521	0.9
132.05695	0.8
133.02794	3.1
133.06467	43.5
133.10095	2.6
135.08067	0.9
135.11685	3.4
137.09619	2.8
143.04970	0.8
143.05954	4.2
145.10103	0.8
147.08046	2.5
147.11664	30.1
149.09627	0.8
157.10065	0.8
161.05948	39.4
165.12711	2.8
175.11159	19.8
175.14680	1.1
178.02562	2.4
185.07909	0.7
193.04950	6.4
193.08542	5.3
193.12196	16.9
193.15855	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	193.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.6
53.03933	1.0
55.01860	2.8
55.05502	27.2
56.96551	0.9
57.03425	5.1
57.03664	0.5
59.04982	3.8
61.02907	1.1
65.03924	8.7
67.05488	21.7
68.99774	12.6
69.03412	47.3
69.07043	1.1
70.06563	1.1
71.04966	13.8
73.06528	6.9
75.04453	4.5
79.05479	5.8
81.03406	0.8
82.04183	3.0
83.04960	81.0
84.01224	0.6
85.02903	5.5
85.06514	1.2
86.09634	0.8
87.00803	3.6
87.04453	1.3
91.05442	1.0
93.03374	8.8
93.07017	1.2
95.04938	13.6
97.02841	3.1
97.06502	49.8
98.97585	0.9
99.04423	14.3
101.05975	8.0
105.06985	4.7
111.00792	7.4
111.04417	100.0
113.06001	1.2
115.03897	0.8
115.07534	0.8
116.98573	0.9
121.02872	0.7
125.05971	22.1
128.48961	0.6
129.01801	16.7
129.05450	8.7
133.06471	2.6
139.00247	9.2
139.03859	1.2
140.07051	2.6
143.07001	46.6
147.02896	0.8
147.04396	0.7
147.06483	1.2
151.93835	0.7
157.01279	6.4
157.04933	0.8
161.05940	1.4
175.09721	0.8
178.00833	0.8
180.61357	0.7
182.53908	0.6
184.65295	0.6
191.95416	0.6
193.04903	1.0
193.10808	1.1
194.39223	0.7
195.68245	0.6
209.29773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Scopoletin
Peak:m/z	Relative Intensity
55.01849	0.5
55.05488	0.8
65.03919	1.2
67.05482	1.0
69.07030	0.5
77.03909	0.6
79.05459	3.9
80.45583	0.4
81.07028	2.2
87.28972	0.6
89.03883	0.8
91.02895	0.5
91.05445	3.4
92.08639	1.0
93.07009	3.8
94.04144	0.8
95.04922	0.9
95.08571	1.0
103.05423	2.0
105.03357	2.2
105.06345	1.0
105.07005	16.2
106.50565	0.6
107.04964	0.6
107.08578	4.6
109.10118	2.2
113.06021	0.6
114.34276	0.5
115.05422	3.6
117.03371	0.6
118.04136	1.3
119.08543	3.1
121.10103	0.9
122.03614	8.0
123.07996	0.7
133.02826	56.6
133.06470	7.9
133.10086	3.7
135.04398	0.5
135.11621	2.1
137.05946	19.0
147.07858	0.6
149.02310	2.7
149.03432	1.1
149.05940	3.6
150.03064	6.2
161.05968	7.4
165.05423	5.1
175.14711	2.4
178.01187	0.7
178.02559	32.7
193.04924	100.0
193.15822	2.7
203.89516	0.6
214.71536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.29857	0.6
53.00298	0.9
55.05502	14.0
57.07051	1.7
57.61831	0.7
61.24537	0.7
67.05488	8.6
68.49502	0.8
69.07051	29.4
79.05477	10.3
81.03387	1.2
81.07038	9.3
83.08596	11.1
88.09606	0.7
91.05446	3.7
93.07021	38.0
95.04951	1.2
95.08583	59.1
95.09196	2.0
97.10139	4.4
105.06975	3.6
107.08577	43.5
109.10131	24.5
110.04337	0.8
111.11700	1.4
119.80236	0.8
121.10118	56.7
123.11665	3.9
135.11667	40.0
149.13234	9.7
163.14745	1.0
189.46123	0.8
191.17905	100.0
203.97731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0342
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.01870	1.0
55.05496	0.5
57.03419	0.3
60.04523	0.3
61.02911	3.0
62.06076	0.4
63.89943	0.2
65.03927	0.4
65.07460	0.3
67.05492	1.1
68.99773	68.7
69.03415	3.6
71.04977	0.6
73.02856	0.3
73.77258	0.2
77.63352	0.3
81.03392	1.2
82.03733	0.5
83.04964	4.6
85.02905	1.4
87.00806	15.7
87.04456	0.3
88.69032	0.2
93.03393	0.4
95.04939	3.6
97.02875	0.5
105.07045	0.5
105.08901	0.3
111.00781	41.1
111.04410	4.1
115.00267	7.0
121.02858	0.4
129.01810	100.0
129.05440	2.9
133.06433	0.4
134.70018	0.3
139.00233	47.6
139.03876	1.1
147.01768	0.4
147.02849	4.4
147.06479	0.6
157.01291	26.8
157.04895	0.5
161.05898	0.4
175.02386	1.3
192.12283	0.3
193.04982	0.4
208.94301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.19884	0.9
53.03941	1.4
55.05505	18.9
57.07066	2.5
67.05492	14.3
69.07056	44.5
79.05467	12.2
81.03384	2.0
81.07040	17.0
83.08608	11.7
91.05454	7.7
92.09312	1.0
93.07024	49.9
95.04945	1.8
95.08585	69.2
95.09200	2.3
97.10151	6.5
97.47688	1.0
105.07024	7.2
107.08578	57.0
109.10144	34.6
111.11736	1.1
119.08569	2.2
121.10125	71.1
123.11675	6.0
131.08527	1.2
133.10066	4.2
135.11673	45.9
149.01213	1.1
149.13222	11.5
191.14255	4.2
191.17917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20627	0.7
52.97491	0.8
53.03923	1.3
55.05503	17.7
56.12904	0.9
57.07053	5.4
59.71356	1.2
64.33179	0.9
67.05486	17.5
68.37536	0.8
69.07050	52.9
70.52057	0.9
71.04945	1.3
76.93233	0.9
79.05474	14.1
81.03391	1.6
81.04716	0.9
81.07034	17.8
83.08610	16.2
86.61806	1.0
91.05456	6.6
92.15021	0.9
93.07014	54.9
95.04946	1.1
95.08579	71.4
97.10144	7.6
105.07020	7.2
107.08572	60.5
109.10135	42.9
111.11712	1.0
119.08566	1.7
121.10110	75.6
123.11665	7.0
133.10098	1.7
135.10637	1.9
135.11662	50.6
147.11661	2.0
149.13225	12.4
163.14767	2.2
182.76891	1.0
190.15831	1.1
191.17896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05488	14.6
63.05305	2.0
67.05475	5.4
69.07045	37.2
70.84489	1.8
71.60472	1.9
78.20142	1.9
79.05473	11.6
81.07009	11.9
83.08592	10.1
92.08597	2.5
93.07018	47.6
95.04900	2.2
95.08583	58.5
97.10114	3.0
103.22601	2.3
107.08572	47.2
108.48534	2.4
109.10143	24.6
121.10116	57.1
135.11661	44.6
149.13208	3.4
154.41420	2.4
178.35535	2.3
191.14172	2.6
191.17896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
54.81032	2.0
55.05502	23.8
56.96513	1.7
57.07048	4.4
58.14972	1.8
60.07455	1.6
67.05491	17.6
69.07047	63.4
71.04954	2.4
73.62010	1.7
78.60511	1.7
79.05473	14.0
81.03406	2.6
81.07029	18.9
83.08619	17.2
91.05448	8.1
93.07013	60.2
95.08579	87.1
97.10141	8.5
105.06975	11.7
107.07854	3.5
107.08567	66.7
109.10128	46.4
119.08531	7.9
121.10109	94.8
123.11686	8.5
135.11662	51.1
149.01213	2.3
149.13214	12.8
191.14261	4.0
191.17882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.81319	0.4
55.01877	0.4
55.05508	4.3
56.00188	0.4
57.07066	0.7
60.07710	0.4
67.05489	4.2
69.03068	0.5
69.03418	7.2
69.07046	2.5
79.05488	5.7
81.07048	5.2
83.04974	0.7
83.08591	0.7
87.41660	0.4
91.05464	6.9
92.08835	2.1
92.63593	0.6
93.07033	4.3
95.08586	2.1
97.66591	0.5
99.66915	0.4
105.07013	13.6
107.04940	1.0
107.08587	19.5
108.37525	0.4
109.06541	1.0
109.10138	5.6
115.05458	1.6
117.07007	1.0
118.07825	0.6
119.08571	4.2
121.10130	12.3
122.07254	6.5
123.08046	0.6
131.08572	4.0
133.10114	100.0
135.08072	4.4
137.09604	18.9
143.08537	1.9
145.10101	0.8
147.11729	0.6
149.13254	7.0
158.10905	1.8
163.14832	0.5
173.13272	6.1
191.14261	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	1.1
53.34436	0.7
55.01860	1.5
55.05503	10.4
57.07056	3.9
59.05008	0.6
62.14735	0.6
63.81476	0.6
64.44257	0.8
67.05482	4.8
69.03416	21.3
69.06766	0.8
69.07056	12.8
71.04958	1.7
79.05473	7.9
81.03403	1.0
81.07030	5.3
83.04964	22.6
83.08587	4.4
91.05457	10.8
91.05968	1.3
92.08720	1.5
92.09276	1.5
93.07018	12.8
95.04924	1.6
95.08598	5.9
97.06500	1.4
105.07014	15.6
107.04894	1.5
107.08575	55.5
109.06491	6.0
109.10147	1.7
117.07043	3.0
119.08562	12.8
121.06461	9.1
121.10117	19.4
123.08057	1.7
129.06992	1.9
131.08540	17.9
133.10101	15.5
134.10907	1.0
135.08047	19.8
135.11649	1.6
136.08812	3.7
137.09599	1.1
143.08556	8.2
144.09378	0.9
145.10115	7.5
147.07990	1.0
147.11609	6.6
148.08836	1.0
149.09584	7.0
149.13269	7.1
158.10870	14.6
161.09575	14.5
173.13217	19.8
176.11867	7.2
191.14273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.04028	1.3
55.05502	4.3
57.07046	2.3
59.04976	2.1
64.33488	1.5
67.05490	2.2
69.03411	3.2
69.07052	13.6
71.04976	7.2
79.05476	8.0
81.03393	7.3
81.07037	8.0
84.51192	1.9
86.70970	1.8
91.05460	16.9
93.07028	16.2
95.04949	3.4
95.08597	10.6
97.06488	4.4
103.05439	3.2
105.07015	44.4
107.08585	24.5
109.06542	3.6
109.10135	3.4
117.06978	9.3
119.08564	16.2
121.06499	3.7
121.10134	11.9
123.08078	3.9
129.06982	2.7
131.08545	33.3
133.10104	100.0
135.08035	11.8
135.11620	2.6
143.08560	9.7
144.09302	2.1
145.10129	13.9
147.11652	19.2
149.09607	9.7
149.13260	10.4
158.10889	10.1
173.13222	30.2
191.14275	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.18018	0.4
55.05496	3.5
56.99899	0.5
57.03421	0.8
57.07072	0.9
59.62454	0.5
67.05486	2.7
69.03409	5.6
69.07052	3.6
79.05470	6.3
79.68003	0.5
81.07053	4.6
83.04953	1.2
91.05444	8.3
92.09346	1.3
93.07020	5.8
95.04948	1.2
95.08566	1.4
105.07012	9.2
107.08578	15.9
109.06501	1.1
109.10173	5.9
117.07047	0.7
119.08595	4.6
119.09311	0.8
121.10126	12.0
122.07278	3.4
123.08074	0.8
131.08554	3.3
133.10104	100.0
135.08003	1.5
137.09596	14.4
140.04532	0.6
143.08539	1.4
145.10146	1.0
149.13252	8.1
158.10936	1.3
173.13217	4.9
191.14276	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05492	5.5
57.03414	0.7
58.57688	0.8
59.82786	0.8
63.71922	0.7
67.05481	3.8
69.03405	3.9
69.07037	4.1
71.04964	2.2
79.05464	5.9
81.07030	4.8
83.04952	1.9
91.05457	15.5
93.07043	8.6
95.04937	3.7
95.08579	5.4
97.06477	3.5
103.05424	1.0
105.07017	41.9
107.08574	14.0
108.06488	1.1
109.06457	1.6
109.10154	2.1
117.06968	4.5
119.08567	24.8
121.06517	1.2
121.10109	9.4
123.08040	7.1
129.06972	1.8
130.07802	1.3
131.08545	30.0
132.27229	1.1
133.10103	100.0
135.08038	9.1
143.08546	6.6
144.09331	1.4
145.10115	11.8
147.11652	21.4
149.09605	5.7
149.13229	6.6
158.10864	10.4
163.14868	0.9
173.13216	27.5
179.35304	1.1
191.14282	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05499	11.3
56.96556	4.3
57.07074	2.5
58.17519	1.7
58.91597	2.0
59.04958	2.2
62.10704	1.9
67.05483	17.6
69.03407	11.5
69.07036	13.1
71.04983	5.4
77.03929	2.8
79.05478	28.9
81.03400	2.9
81.07029	14.7
83.04985	2.8
83.08580	3.2
85.06503	3.3
86.59418	2.1
89.98299	2.0
90.94763	2.5
91.05457	77.7
91.11528	2.3
92.08987	10.2
93.07026	27.3
95.04957	8.9
95.08598	12.5
97.06510	3.4
103.05453	11.1
105.07008	100.0
107.08567	44.7
109.06490	20.9
109.10141	12.4
111.08081	2.6
115.05443	8.7
116.06226	8.8
117.06989	27.5
119.06103	2.3
119.08561	85.8
121.06444	2.2
121.10121	43.0
123.08038	8.1
123.11695	4.3
128.06229	4.1
129.06990	26.6
130.07739	13.4
131.04860	2.5
131.08537	67.5
133.10100	87.7
134.10809	2.2
135.08031	26.5
135.11671	2.5
143.08537	59.5
144.09325	14.0
145.10097	37.4
147.11642	27.5
149.09598	10.8
149.13249	14.0
150.96843	3.7
156.09326	3.4
158.10870	31.8
161.09596	3.1
173.13208	43.5
191.14290	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	191.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10056	0.4
53.03720	0.7
53.03942	9.3
54.07226	0.5
54.34286	0.4
55.05499	0.6
56.96552	2.9
57.03428	5.2
57.07056	0.5
59.04991	5.1
60.04510	0.7
61.02916	1.0
62.06070	1.0
67.05480	1.3
69.03423	4.6
71.04980	54.1
73.02896	2.3
74.03662	0.9
74.06037	0.6
75.04456	1.4
81.03402	100.0
83.01311	0.6
84.04490	3.3
84.08129	0.6
85.02895	6.5
85.06528	9.7
87.04458	4.7
89.06004	0.6
90.01506	0.6
95.04952	10.6
97.02874	2.9
98.03679	4.5
98.97565	5.2
99.04434	10.5
102.09133	0.8
109.02860	17.0
110.97575	0.8
111.43803	0.6
113.05997	5.9
114.05503	1.0
114.06765	6.1
115.03841	0.6
116.98588	2.5
127.03897	1.4
127.07504	0.7
128.07091	1.3
128.09126	0.6
128.98581	1.0
131.00160	0.7
134.99663	0.8
138.95879	0.6
141.05449	3.6
151.04326	0.8
192.23149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05498	2.8
56.46769	0.5
57.03415	3.0
57.85827	0.6
67.05489	1.5
67.36227	0.5
69.07053	100.0
71.04972	0.8
73.06540	7.8
73.71265	0.6
74.98739	0.6
75.04477	0.6
79.05446	0.9
81.07031	0.8
93.07002	0.6
95.04929	0.6
97.06510	39.3
97.08555	0.7
99.04411	0.8
103.86352	0.5
105.06966	2.2
107.08559	0.6
115.07546	61.3
119.08534	0.6
147.11624	0.9
154.44051	0.7
156.09312	0.9
161.13242	0.8
189.09044	0.7
189.12602	1.4
189.16306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1258
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99058	1.2
53.00299	0.6
56.65701	0.6
56.96555	0.9
57.07067	37.2
59.99090	4.5
68.90087	0.7
70.23131	0.6
71.43563	0.7
78.00135	52.7
86.09701	8.6
87.63470	0.8
87.63983	0.7
87.67549	0.8
88.02195	0.8
92.01712	0.8
111.03806	0.9
114.23842	0.8
124.04646	0.7
134.06322	48.2
148.07890	1.7
149.01120	0.8
149.02271	1.5
190.12573	100.0
194.82050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0393
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01631	4.1
55.01870	88.6
55.05495	6.3
55.31307	2.0
55.76951	2.4
56.05027	5.5
57.03429	100.0
59.04976	11.5
60.08151	4.1
61.02903	3.7
67.05484	2.9
70.06541	3.0
71.01340	47.1
71.04977	2.9
71.23521	2.7
72.08140	38.3
73.02892	34.1
83.01336	17.9
83.04959	6.4
84.04481	5.7
84.08128	12.3
84.99226	2.3
85.02883	5.3
86.09683	12.0
87.00827	2.9
87.04449	62.4
87.45290	2.6
89.02370	5.2
95.01292	2.9
100.07602	14.0
101.02359	98.7
101.06007	4.4
102.06348	2.9
103.03906	4.5
111.00771	6.0
113.02334	3.3
114.05489	3.3
115.03149	4.4
115.03914	90.9
115.05834	5.5
118.08649	4.8
129.01788	22.5
141.01865	3.1
142.04990	2.8
142.08633	5.4
143.03386	5.0
143.05244	5.1
143.08952	3.4
144.13794	10.6
145.05968	3.0
146.08052	6.1
147.08466	3.9
157.01295	78.3
175.02385	4.4
188.12779	2.9
189.03944	11.1
194.97522	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	188.0917
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
51.25564	1.9
55.05510	37.5
56.04763	3.5
56.05028	81.2
57.03420	13.8
58.06617	2.0
59.72246	2.0
60.04514	35.1
60.08149	10.7
66.03463	3.9
67.05492	28.1
70.06578	4.2
77.67124	2.2
82.06567	22.4
83.04967	54.8
84.04510	24.0
84.08124	4.2
87.00792	5.0
92.09111	3.5
93.03368	3.6
96.08134	16.7
96.30235	2.2
98.06062	3.3
100.03930	3.2
100.07597	72.0
101.05989	50.6
102.05499	13.8
110.06022	4.0
111.04443	3.5
114.05509	81.2
114.09155	4.1
124.03916	4.4
124.07564	8.6
128.06996	2.7
128.62869	2.2
129.05464	3.7
142.04967	83.1
142.08603	69.3
144.13820	17.6
146.08101	100.0
152.03346	2.5
170.02757	4.9
170.04475	20.8
170.08127	12.3
179.83244	2.3
188.03714	38.7
188.09120	17.6
188.12794	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74371	0.2
53.03931	1.0
54.20244	0.2
55.05487	1.0
56.96546	0.4
57.03427	0.2
57.98783	0.3
58.57399	0.2
59.73022	0.2
65.03922	0.9
67.05494	0.2
69.03425	0.3
69.07040	0.3
70.99552	0.3
80.04982	0.4
81.07019	0.3
83.04969	0.3
85.01112	4.1
85.02891	0.3
86.09675	0.2
87.02627	0.2
92.09039	0.5
93.57603	0.2
103.02126	1.1
104.90728	0.3
112.02177	4.5
124.11231	0.2
139.01759	0.5
140.01613	3.6
146.91818	0.3
147.54488	0.2
157.01878	1.9
157.87689	0.2
158.02687	3.1
170.02664	16.6
188.03726	100.0
189.04099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.81547	0.8
55.05495	0.8
55.41107	0.7
56.96564	1.4
57.03409	0.7
58.74624	0.6
59.06073	0.7
60.64292	0.6
64.91016	0.6
65.21714	0.7
69.03415	0.9
81.07088	0.9
91.05462	5.6
92.08749	1.2
98.97556	1.0
103.05417	1.1
104.06084	0.8
115.05459	7.9
117.05688	1.0
117.07006	6.8
118.06521	100.0
139.01791	0.8
142.06514	10.2
143.07292	16.4
144.08073	27.0
146.05997	97.4
160.07614	1.2
168.62773	0.8
170.05940	10.9
183.03297	0.9
188.07047	22.1
188.10706	1.4
198.53050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
51.33686	0.8
55.01867	2.2
55.05500	12.9
55.11076	0.8
57.03418	5.5
57.07066	8.3
59.49598	1.1
65.03932	0.9
67.05493	72.9
69.03412	2.5
69.06743	1.0
69.07056	12.5
71.04976	77.1
71.05376	2.4
79.05478	23.0
81.07040	62.1
83.04961	7.3
83.08604	4.5
85.06529	100.0
88.02202	2.0
91.05460	42.7
93.07034	14.9
95.04929	4.2
95.08594	8.2
97.06509	2.5
105.07014	53.6
107.08572	40.4
109.06500	6.9
109.09379	2.2
109.10139	65.1
113.05958	1.2
119.08569	1.2
123.08066	1.8
123.11693	11.8
123.52552	0.9
126.03089	1.3
127.03889	6.4
127.07568	1.4
130.07767	1.2
131.08582	2.6
133.10107	74.7
141.05432	6.3
145.10083	4.2
151.11160	36.6
155.03374	2.0
159.11626	1.2
169.04953	1.6
169.12221	12.2
187.07541	1.2
187.13188	2.2
187.14761	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13655	0.1
54.82045	0.1
65.22523	0.1
65.77934	0.1
74.25571	0.2
82.99831	1.0
92.09013	0.2
101.00858	21.9
102.00958	0.3
108.77151	0.2
111.46115	0.1
111.48123	0.1
119.01893	100.0
120.01947	1.3
121.02355	0.3
124.02434	1.1
128.49721	0.2
137.02928	31.1
138.03069	0.3
142.03473	14.0
143.03572	0.7
160.04527	4.8
161.02908	4.1
161.04333	0.2
161.04695	0.1
164.20824	0.2
179.03961	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	184.0605
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
50.20145	0.2
50.62996	0.2
53.31843	0.2
55.05495	0.5
56.96547	0.5
57.03416	0.5
57.44204	0.2
61.02904	0.3
64.33763	0.3
65.03919	1.8
69.03417	2.4
69.50720	0.2
70.03728	0.6
72.08124	0.4
73.02938	0.3
81.04516	0.4
82.06580	0.4
83.04942	0.3
83.19817	0.2
84.05309	0.3
84.96061	0.3
85.02900	2.0
86.09700	0.5
92.04977	2.3
93.03374	0.3
98.97552	0.4
101.00862	4.4
104.04948	0.3
110.06021	1.6
110.07146	0.4
119.01896	31.3
120.02043	0.5
120.04446	2.0
122.07156	0.3
124.03873	0.4
132.91821	0.3
136.79906	0.3
137.02933	13.7
138.05481	6.5
142.03488	4.0
143.03564	0.3
144.04749	0.5
145.23474	0.3
148.03912	100.0
156.07611	0.3
160.04520	2.0
161.02924	1.6
166.04962	84.2
179.02664	0.3
179.03978	2.7
184.04822	0.6
184.06033	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	185.1324
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.05505	2.6
60.95821	0.4
79.05475	0.5
79.85589	0.4
91.05456	0.8
92.09242	2.0
93.07011	1.5
95.04904	0.5
102.96861	4.6
105.07017	10.2
107.08530	0.4
110.77013	0.4
115.05422	1.4
115.35609	0.3
119.08549	0.3
120.01936	0.5
120.97884	4.6
121.00761	0.4
121.01616	0.5
128.06192	22.3
129.06978	11.0
131.08530	0.8
138.98904	3.6
139.01784	1.4
139.74255	0.3
141.06998	3.4
142.07756	16.1
143.08542	100.0
145.06453	1.9
155.06013	1.3
155.08545	1.7
156.09331	4.7
157.10101	31.0
159.08069	0.5
163.01837	0.8
170.10875	2.1
181.02850	1.5
185.13214	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	183.065
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
53.03940	11.7
55.01863	5.0
55.05499	2.4
56.76147	0.4
57.03421	2.6
61.02906	2.1
63.65352	0.4
65.03935	4.2
67.05499	9.2
69.03416	13.9
69.07047	0.6
71.04980	0.6
72.06664	0.4
77.03915	2.0
81.03409	2.3
81.07037	0.8
83.04960	5.0
83.05343	0.4
85.02895	3.9
87.04477	0.6
89.86458	0.5
92.09026	1.9
93.03391	0.5
95.04948	100.0
99.04430	2.1
105.04488	6.8
105.05104	0.6
111.04440	2.9
119.02014	0.5
121.03961	1.0
123.04407	58.4
125.02325	5.9
129.05484	2.7
140.04665	31.6
147.17020	0.5
155.06999	14.5
160.47035	0.5
183.06544	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.16781	1.8
54.81298	2.7
55.05498	13.4
65.31463	2.3
67.05482	11.1
69.07053	39.3
79.05482	24.5
81.07037	87.8
83.08583	5.0
88.02209	3.9
91.05470	3.3
93.07014	39.7
94.24488	2.0
94.89995	2.2
95.08585	43.6
97.10168	4.6
105.07015	3.9
107.08581	100.0
109.10141	13.2
119.08542	7.9
121.10119	76.9
133.10023	2.5
135.11681	8.8
137.09535	2.8
145.02943	2.4
149.13217	3.7
153.93591	2.5
157.24455	2.1
177.12720	10.8
177.16327	70.3
194.99126	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81291	0.4
60.27863	0.4
60.91747	0.4
71.43530	0.4
92.63448	0.5
97.13863	0.5
98.97551	1.7
100.85472	0.4
101.00861	17.5
116.98592	0.6
119.01896	100.0
122.07633	0.4
133.03450	3.2
137.02933	38.6
142.03470	0.6
151.04462	0.9
156.05031	1.0
161.02913	10.9
179.03978	25.9
179.42754	0.6
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
55.01860	2.2
55.05505	2.6
55.18889	1.1
56.96555	3.3
57.07071	43.5
59.05000	3.3
59.50808	1.2
67.05492	2.3
69.07059	7.1
74.26952	1.2
79.05489	17.3
81.03403	9.1
81.07038	7.1
83.04966	98.2
91.05480	2.3
93.07024	6.6
95.04937	26.8
95.08569	1.7
97.06512	56.8
97.07127	2.8
98.97561	17.8
105.06985	2.7
105.56593	1.6
106.20542	1.5
107.08582	8.4
116.97192	1.6
116.98592	14.7
117.06966	2.4
119.08586	1.9
121.06474	2.3
121.10147	10.8
124.84997	1.3
125.05969	100.0
130.07863	1.4
134.99651	17.3
135.11668	3.2
139.90704	1.3
142.58255	1.5
145.10126	8.9
163.11148	69.1
181.12193	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	177.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.9
53.03750	0.6
53.03946	9.8
55.05509	1.4
55.67503	0.7
56.96573	0.9
57.03431	10.0
58.16129	0.6
58.41740	0.7
59.04987	2.0
60.07064	0.6
61.02913	1.5
69.03423	20.6
71.01344	6.6
71.04987	14.6
73.02885	4.8
75.04455	4.7
75.23174	0.7
81.03407	100.0
83.04984	1.7
85.02895	38.1
85.06545	1.1
87.04462	3.4
89.03874	1.4
95.01314	14.3
95.04930	1.4
97.02883	1.9
99.04440	9.3
109.02870	23.4
111.00797	1.1
113.05989	5.0
115.03947	3.0
117.03373	3.9
127.03876	1.0
127.39525	0.7
129.01823	1.2
132.04828	0.9
134.99654	0.9
136.61049	0.8
141.01819	1.7
141.05441	1.0
145.02818	3.4
177.07564	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03921	1.3
55.05501	15.7
57.07065	1.2
61.16135	0.9
61.84010	0.9
62.98032	0.9
65.94913	0.8
67.05495	11.6
69.07051	37.9
79.05007	1.2
79.05471	38.3
81.07036	78.7
83.08598	11.1
84.83194	1.2
91.05444	6.7
93.07023	39.1
95.04955	1.4
95.08585	51.0
97.10136	6.1
105.06992	6.8
107.08576	100.0
109.06492	1.6
109.10132	12.2
110.18552	1.0
119.08578	1.1
120.07850	1.2
121.10121	72.8
131.30510	1.1
135.11641	11.7
149.13239	2.4
156.90302	1.2
177.16348	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.12651	0.6
61.95135	0.8
63.02339	1.4
67.47720	0.7
68.59264	0.8
78.04675	4.0
89.03897	56.7
91.05461	3.3
92.09319	1.6
95.04914	1.1
103.05443	1.9
106.04141	5.3
114.37492	0.8
117.03358	100.0
133.71089	0.8
134.03613	11.8
135.04309	4.0
135.45828	0.7
145.02831	88.4
149.05946	29.2
177.05424	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	177.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.4
55.01859	1.2
55.05488	1.5
56.96560	10.2
57.03426	11.3
59.04977	2.2
61.02918	2.1
63.89082	0.9
67.05477	1.0
69.03419	22.2
71.01351	1.0
71.04974	11.6
71.06879	0.9
73.02888	4.1
75.04464	2.0
81.03400	100.0
83.04972	1.7
85.02888	36.8
85.06527	2.2
87.04453	5.3
89.03890	1.7
95.01304	3.5
95.04953	1.5
95.08579	1.4
97.02862	1.4
98.97545	8.0
99.04421	10.5
109.02847	23.5
111.02079	2.1
113.02323	1.6
113.05965	4.1
113.07948	1.1
115.03902	2.1
116.98585	7.3
117.03391	3.8
117.07439	1.0
122.52870	1.0
127.03898	1.8
128.02339	0.9
131.10080	1.0
134.43143	1.0
134.99637	5.7
136.73520	0.9
141.56166	0.9
141.96872	1.0
145.02831	5.9
145.55812	1.0
149.02269	1.1
154.56293	1.0
177.10667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03929	0.5
57.82998	0.6
59.93831	0.6
63.02336	1.1
78.04693	4.3
78.64402	0.6
79.05438	0.8
81.03411	1.2
89.03897	55.3
91.05428	4.9
92.08665	2.4
93.07018	1.5
95.04956	1.4
98.97550	6.2
103.05421	1.2
105.07027	1.1
106.04135	4.4
107.08578	1.1
116.98607	5.4
117.03356	100.0
119.08554	2.6
121.06496	1.1
121.10082	0.8
124.05176	1.4
134.03612	13.5
134.99643	4.5
135.04396	6.4
135.11743	1.4
145.02827	91.1
149.05960	28.3
162.03123	1.3
163.03886	1.0
177.05428	32.3
177.12741	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
54.12250	1.0
55.05507	1.3
56.96540	1.7
57.03425	3.3
57.07065	97.8
57.89917	1.2
67.05482	7.7
71.04970	3.0
78.04678	2.2
79.05458	1.4
81.03395	1.6
81.07037	18.5
85.06523	32.8
89.03894	64.4
90.00536	1.2
91.05442	7.1
92.08639	2.5
93.07010	1.8
95.04887	1.4
98.97553	20.9
103.05492	2.2
103.07544	5.8
106.04152	6.0
116.98586	14.5
117.03355	100.0
121.06432	1.5
131.08583	1.8
134.03580	18.2
134.11234	1.4
134.99593	9.4
135.04376	8.8
145.02817	96.6
149.05949	34.8
159.10109	7.8
162.03130	5.5
177.05431	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05510	9.6
57.07063	0.9
67.05489	1.6
69.06721	0.8
69.07060	19.8
79.05464	1.9
81.07042	6.5
83.08598	4.1
88.19053	0.8
91.05462	11.9
93.07018	4.5
94.45092	0.7
95.08580	6.0
105.07015	27.5
107.08569	5.8
117.07007	5.3
119.08566	80.7
121.10146	3.4
124.32909	0.8
131.08533	4.7
133.10112	100.0
135.11649	0.8
145.10091	8.2
146.10960	1.0
147.11674	10.3
152.04248	0.8
159.11668	1.3
160.12410	3.7
173.13261	1.2
175.14793	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.8
61.35764	0.8
66.91567	0.8
67.05504	3.9
69.07050	27.3
70.44110	0.8
78.49406	0.9
79.05450	2.0
80.72433	0.8
81.07034	8.6
83.04952	0.9
83.08588	6.4
91.05469	15.1
92.08900	1.8
93.06999	4.2
95.04987	1.1
95.08586	7.1
98.97553	1.0
103.53902	0.9
104.06071	1.0
105.06360	1.6
105.07011	32.4
107.08571	7.1
116.97213	1.3
116.98532	1.4
117.07000	2.1
119.08558	100.0
121.10136	2.0
127.24430	1.0
131.08536	4.9
133.10106	74.8
134.21999	1.0
145.10130	7.4
146.10895	1.4
147.11647	12.8
147.27654	1.0
154.88324	1.0
157.04288	1.1
160.12483	1.9
173.13171	2.2
175.14777	93.9
179.27670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	0.7
55.05502	11.1
57.07051	0.9
57.34990	0.6
65.03934	0.7
67.05476	3.4
69.07053	28.6
79.05451	5.2
81.07024	8.9
83.08611	4.8
91.05462	14.0
92.09292	1.0
93.06991	5.4
95.08588	7.5
98.97566	2.7
103.05429	0.7
105.07009	34.3
107.08575	6.7
116.98596	1.4
117.06985	3.5
119.08555	100.0
121.10101	4.0
131.08519	6.9
133.10101	76.5
145.10095	12.6
146.10904	0.8
147.08029	1.4
147.11676	12.2
160.12413	4.1
173.13206	1.2
175.07753	0.9
175.14780	86.9
190.91234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
50.94259	0.8
51.58476	1.0
55.05484	6.4
67.05171	1.5
67.05491	16.0
69.07085	1.0
79.05473	25.4
79.29620	1.0
81.07039	61.0
83.08586	2.0
91.05463	45.4
93.07020	58.6
95.04940	2.6
95.08585	54.1
97.10091	1.3
105.07014	48.1
107.08592	15.1
109.10140	8.2
116.06179	1.2
117.06968	1.8
119.08558	57.3
120.38870	1.1
121.10105	1.4
128.06160	2.1
129.06995	4.1
133.10104	43.4
144.83492	1.2
145.10075	1.4
147.11659	30.1
152.39317	1.0
175.07507	1.9
175.14781	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03933	1.2
55.05272	0.6
55.05507	12.0
57.07047	0.6
67.05482	3.6
69.07058	28.0
79.05473	4.6
81.07040	7.4
83.08605	4.8
84.57592	0.6
85.55161	0.6
91.05469	12.3
92.08636	1.5
93.07007	5.2
95.08585	5.6
104.27846	0.7
105.07019	32.7
107.08581	7.2
113.11778	0.6
117.07003	5.7
119.08563	100.0
121.10099	2.4
131.08540	5.5
132.09363	0.9
133.10112	77.6
145.10121	10.0
145.75125	0.6
146.10939	1.2
147.11662	9.7
158.10838	1.0
160.12425	4.0
162.84908	0.7
168.44258	0.6
173.13239	3.4
175.14795	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05504	9.9
56.18384	0.7
67.05491	1.5
67.69804	0.8
69.06715	1.1
69.07056	23.4
76.39243	0.7
79.05473	4.0
81.07031	13.2
81.16377	0.9
83.08625	6.4
91.05459	12.2
92.09300	1.8
93.07018	5.1
95.08591	8.4
98.47592	0.8
103.05403	1.4
105.07009	33.8
105.74303	0.9
107.08586	7.4
114.37857	0.9
117.06988	5.2
119.08555	87.0
120.09312	1.0
121.10117	1.1
131.08517	5.5
133.10103	100.0
135.89334	1.1
145.10098	9.2
147.11659	10.9
160.12439	3.3
173.13193	1.2
175.14786	81.7
194.42128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14716	1.4
53.00298	1.2
55.05507	14.9
57.03436	1.5
60.04502	2.4
67.05472	2.6
69.03410	2.3
69.07052	29.5
79.05475	2.5
81.07034	9.8
83.08595	8.2
84.04488	2.4
85.04829	3.0
88.02186	3.1
91.05453	16.8
92.08636	5.1
93.07019	6.6
95.04925	1.6
95.08575	8.9
97.02867	6.7
97.04773	2.0
98.03206	10.8
98.97561	3.1
104.23084	1.7
105.07001	37.9
107.08566	6.7
114.05544	1.7
115.05405	1.5
116.98593	2.4
117.06968	3.5
119.07705	3.2
119.08554	95.0
131.08536	7.2
133.10104	100.0
134.99611	2.1
145.10110	8.0
147.11684	13.4
157.04274	2.7
160.12456	2.0
161.43488	1.5
163.05441	1.4
175.07837	16.2
175.11110	3.3
175.14784	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.2
57.74269	0.9
59.63704	1.2
67.05494	12.4
69.07038	3.3
69.17752	1.0
79.05473	20.4
81.07039	51.4
83.08594	1.6
91.05463	41.2
92.09266	2.2
92.43799	1.0
92.64055	1.0
93.07023	46.1
95.04933	1.6
95.08004	1.7
95.08582	35.5
95.80436	1.0
100.94882	1.1
105.07012	43.6
107.08562	9.2
109.10119	6.4
115.05433	2.4
116.97277	1.2
117.07007	2.2
119.08556	52.7
121.10109	1.4
121.59589	0.9
128.06200	7.2
129.06978	16.5
131.08569	1.9
133.10103	37.5
147.11664	25.2
175.07562	6.7
175.14786	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05496	3.4
67.05496	17.4
68.97234	1.5
69.07033	2.8
79.05472	23.7
81.07038	66.9
82.05690	1.3
90.47356	1.6
91.05453	53.1
93.07021	53.1
95.04918	2.4
95.08018	2.2
95.08585	45.7
98.97526	2.6
103.05434	2.2
105.07014	51.4
107.08546	11.8
109.10124	3.3
115.05427	1.9
117.06946	2.0
117.68091	1.4
119.08558	59.9
121.10000	1.4
128.06177	7.5
129.06987	15.9
129.21985	1.5
131.08543	2.6
133.10101	49.7
147.11668	24.6
175.07587	8.9
175.14780	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	174.076
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03934	1.0
56.05011	3.7
56.29677	0.8
57.03430	9.0
59.00795	0.9
60.04512	36.1
61.02907	1.6
68.05004	5.3
69.03417	19.3
69.07035	0.8
70.95850	1.8
72.93774	3.4
77.15672	1.0
83.04937	0.9
83.73132	1.1
84.04018	1.6
84.04491	32.4
85.02890	15.8
86.06054	2.1
86.09668	4.3
96.04468	13.1
97.02869	100.0
102.05514	7.5
114.05508	32.5
115.03876	5.8
132.06554	3.8
132.08000	3.1
132.08908	1.6
132.95795	3.9
138.05432	1.3
150.96814	6.6
174.07571	77.7
174.12726	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	175.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02848	0.5
54.81925	0.8
54.94501	0.5
55.93506	1.2
57.31572	0.5
58.99844	2.5
59.35237	0.5
72.93783	0.7
76.56635	0.6
79.53736	0.6
85.01395	5.9
86.84251	0.6
92.09269	0.8
98.97589	4.5
101.00859	12.6
103.02420	33.9
103.03113	1.2
111.39999	0.5
115.02401	6.7
116.98615	3.1
119.01896	69.0
121.03461	20.9
131.01877	3.7
133.03441	63.8
134.99608	2.5
137.02931	28.6
137.49948	2.6
137.83502	0.6
138.49789	0.8
142.03488	1.2
145.03450	15.6
146.96138	0.9
149.02795	0.7
150.00763	0.6
151.03271	1.3
151.04492	33.3
156.04977	0.8
157.03435	1.2
163.04512	9.0
175.04485	100.0
193.05547	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	174.0759
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.96758	0.7
55.06889	0.6
56.05022	1.2
56.05818	0.8
57.03424	9.6
60.04511	34.6
61.02901	0.9
68.04997	5.2
69.03410	16.4
70.95850	10.7
72.04477	0.9
72.93764	8.5
73.93803	0.9
84.04488	34.5
85.02888	14.6
86.06043	2.8
86.09683	1.5
88.96871	1.8
90.94804	6.1
92.09039	3.1
96.04472	12.9
97.02869	100.0
102.05533	6.8
108.95825	0.9
111.98473	7.1
113.96349	0.8
114.05512	35.7
115.03911	5.5
118.06514	1.0
129.99492	2.8
131.08534	1.0
131.97404	1.1
132.06557	3.3
132.08020	1.6
132.95819	16.4
143.08519	0.9
144.08940	1.0
149.96034	1.0
150.96867	33.4
155.97369	3.8
156.06433	1.0
159.10323	0.7
168.98022	0.9
173.13261	0.9
173.98451	6.2
174.07578	71.6
174.12721	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0759
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
55.88395	0.7
56.05014	1.7
57.03424	9.6
60.04510	39.3
61.02895	1.0
65.31289	0.9
68.05004	3.4
69.03411	18.7
70.14378	0.7
72.04482	0.9
74.71030	0.9
74.72554	0.8
78.81499	0.7
84.04485	36.3
85.02423	1.0
85.02885	15.5
85.14239	0.7
86.06036	3.3
92.08994	9.2
96.04456	16.1
97.02866	100.0
100.67738	0.8
102.05522	9.1
112.08706	0.9
114.05506	34.5
115.03870	5.4
127.11925	0.8
132.06526	1.8
132.95827	1.2
138.05452	0.9
141.28233	0.8
150.96774	0.9
174.07571	76.2
174.12689	1.0
189.49782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.076
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
50.20716	0.5
53.03914	1.0
54.58744	0.9
55.05492	1.6
55.52275	0.5
56.05025	5.3
56.96557	7.0
57.03428	8.8
58.03771	0.9
59.04984	1.2
60.04513	45.8
61.02915	1.0
63.97269	0.5
67.05485	5.4
68.05012	14.2
69.03072	1.2
69.03417	23.9
70.06586	1.0
70.95841	4.0
72.93767	4.5
73.93801	0.8
81.03410	0.8
81.48912	0.7
82.06538	0.7
82.39946	0.6
83.05007	1.2
83.08623	0.8
84.04485	28.5
84.08125	1.4
85.02885	15.6
86.06039	3.2
86.09694	1.1
87.04449	8.0
88.89332	0.7
90.94832	1.1
91.05470	0.8
91.72132	0.7
93.07024	3.5
96.04488	10.6
97.02869	100.0
98.97550	4.9
102.05527	6.3
110.08928	1.5
110.09659	33.5
110.10419	1.2
111.98462	1.8
114.05515	39.3
115.03923	7.8
116.98580	0.9
118.06447	0.8
126.03652	1.1
128.10692	9.1
132.06544	1.7
132.08054	1.0
132.95811	7.9
138.05434	1.2
143.00114	1.0
150.96838	12.9
155.97380	1.4
156.06549	2.5
156.10132	6.7
157.05612	2.8
163.80273	0.7
173.98483	3.4
174.07571	74.0
174.11197	9.3
174.12616	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	174.076
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.00304	0.9
53.03934	1.9
56.05023	1.5
56.55024	0.7
57.03428	7.9
58.02947	0.8
60.04514	41.1
66.77549	0.9
67.05454	0.9
68.05001	5.2
68.88607	0.7
69.03416	17.8
79.47026	0.9
83.05015	0.9
84.04488	29.5
85.02890	16.0
86.06044	5.0
86.09666	0.9
87.04453	0.9
93.15388	1.1
96.04473	12.8
97.02868	100.0
101.50445	0.9
102.05503	7.0
102.06224	1.0
111.22065	1.1
114.05508	34.3
115.03893	5.9
118.06526	1.9
132.06534	4.0
132.08061	4.0
132.95836	1.2
138.05392	1.0
150.96855	4.5
173.98470	1.0
174.07573	75.6
174.12674	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.70452	0.6
53.03933	1.9
53.86612	0.6
54.29921	0.6
55.05511	8.4
57.07064	1.1
59.04972	1.0
60.40570	0.7
65.03932	1.4
66.16962	0.7
67.05492	4.7
68.53024	0.7
72.93760	8.5
79.05467	11.8
79.73533	0.8
81.03383	4.4
81.07027	4.5
83.04958	4.9
86.09696	5.6
87.04446	0.7
90.94798	4.6
91.05454	41.7
93.07053	2.9
95.04941	1.9
95.08528	1.0
97.02837	1.7
101.05964	3.1
102.38229	0.9
103.05433	1.9
105.07009	34.5
108.95873	1.1
109.10125	1.0
111.04396	1.8
113.05994	1.4
114.70473	0.9
115.05442	9.7
116.06211	12.8
117.06994	17.4
119.08553	29.0
128.06183	19.3
129.06976	43.1
130.07764	11.0
131.08542	47.5
133.10101	11.3
141.06914	3.9
142.07733	5.7
143.08537	100.0
144.09312	13.8
145.10107	23.8
149.96059	1.3
155.06984	3.5
156.09305	3.6
157.10078	5.3
158.09570	1.9
158.10876	54.3
167.97084	1.5
171.11601	1.2
173.08116	6.4
173.13220	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05504	36.9
57.03423	1.5
58.16377	0.9
59.04979	9.0
61.02892	2.4
62.51614	1.0
65.98871	1.2
67.05488	100.0
69.07053	1.8
71.04957	2.8
72.93771	6.6
79.05492	1.2
81.03402	10.1
81.07034	11.8
83.04973	22.2
83.08585	9.5
85.06513	5.7
90.90415	1.3
90.94814	4.2
91.05459	4.5
95.04950	2.3
95.08551	1.7
95.46863	1.1
98.03654	2.0
101.06002	13.1
107.08549	1.5
109.10136	50.7
109.10852	2.2
111.04426	18.5
111.08054	1.1
113.05993	4.5
119.08543	1.8
127.07580	2.8
129.05461	9.0
131.08543	4.8
145.10094	1.2
149.97316	1.4
150.96828	1.4
155.07007	15.5
155.10672	1.3
173.08032	24.8
173.11685	4.5
173.13199	4.5
194.44272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
53.03941	4.7
55.05504	36.9
57.03423	1.5
58.16377	0.9
59.04979	9.0
61.02892	2.4
62.51614	1.0
65.98871	1.2
67.05488	100.0
69.07053	1.8
71.04957	2.8
72.93771	6.6
79.05492	1.2
81.03402	10.1
81.07034	11.8
83.04973	22.2
83.08585	9.5
85.06513	5.7
90.90415	1.3
90.94814	4.2
91.05459	4.5
95.04950	2.3
95.08551	1.7
95.46863	1.1
98.03654	2.0
101.06002	13.1
107.08549	1.5
109.10136	50.7
109.10852	2.2
111.04426	18.5
111.08054	1.1
113.05993	4.5
119.08543	1.8
127.07580	2.8
129.05461	9.0
131.08543	4.8
145.10094	1.2
149.97316	1.4
150.96828	1.4
155.07007	15.5
155.10672	1.3
173.08032	24.8
173.11685	4.5
173.13199	4.5
194.44272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03939	36.4
55.01863	3.0
55.05504	21.4
56.05033	0.4
56.96541	0.6
57.03417	3.4
59.04993	6.3
60.84399	0.4
61.02916	31.8
61.14986	0.4
65.03912	1.3
67.01858	0.6
67.05489	3.2
69.03409	2.9
70.04191	0.9
70.06230	0.5
70.06588	2.0
71.04977	39.9
71.92572	0.5
72.08158	1.7
73.02911	0.7
74.02394	0.5
74.39466	0.5
75.04457	3.6
76.73952	0.5
81.03400	100.0
83.04967	2.8
85.02898	6.0
85.06527	33.5
86.06029	0.6
87.04445	3.5
90.06618	0.5
92.08672	0.8
95.04949	24.7
97.02869	14.8
97.06490	0.6
98.03651	33.2
99.04439	8.9
100.05212	2.4
101.05964	0.9
109.02853	11.1
111.04444	2.4
112.05209	1.0
113.05193	1.2
113.05982	29.3
114.05514	3.0
114.06769	4.9
123.04437	1.1
127.07525	1.1
139.48642	0.6
141.05438	18.2
151.98897	0.5
155.07037	1.2
173.08038	0.9
177.18207	0.5
184.09077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.1
55.05506	2.1
56.96550	0.6
57.07066	100.0
59.99099	31.1
59.99413	0.9
72.04499	2.8
72.93752	0.5
73.04826	0.6
89.07162	0.8
116.05291	17.1
116.06036	0.8
148.55928	0.6
155.07005	0.7
172.11589	0.6
172.15240	2.1
173.08127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0808
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
50.90099	0.8
51.83738	0.6
53.00286	0.8
53.03940	37.9
55.01853	2.0
55.05269	1.0
55.05508	20.1
56.96542	3.5
57.03416	3.6
59.04972	4.7
61.02911	32.7
65.03916	1.8
67.05475	1.9
69.03407	1.6
70.06557	3.9
71.04611	1.5
71.04977	35.6
73.02879	0.8
75.04443	1.9
81.03397	100.0
81.07003	0.8
83.04955	2.1
84.08087	0.8
85.02874	5.2
85.06062	1.4
85.06525	25.3
87.04436	3.8
91.79698	0.8
92.64268	0.9
95.04945	27.7
97.02849	11.0
98.03655	31.1
98.98473	2.6
99.04431	7.9
100.05219	1.3
102.80822	1.0
109.02861	10.9
111.04408	3.4
113.05989	27.0
114.05508	3.4
114.06765	3.9
116.07024	0.9
123.04410	1.8
127.07530	1.4
141.05434	16.2
155.07002	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.00310	1.0
53.03927	1.8
55.01630	1.2
55.01867	24.0
55.05505	44.9
57.03427	11.2
57.07049	3.5
63.98198	0.7
65.03925	7.8
67.05493	66.0
69.03408	9.1
69.07053	9.7
71.04976	24.0
72.04499	16.7
73.02898	3.6
74.46729	0.8
79.05475	100.0
81.03387	4.8
81.07037	26.2
83.01336	1.2
83.04969	23.5
83.08595	7.7
85.06523	37.2
87.04432	6.0
89.07133	14.3
91.05463	24.7
93.03418	6.8
93.07024	29.3
95.04939	4.4
95.08572	5.4
97.02872	10.4
97.06496	5.0
97.10152	3.6
99.04432	25.4
105.06995	10.8
107.04939	45.0
107.08576	81.7
109.06490	9.7
109.10121	9.4
111.04423	15.8
111.08081	7.1
115.05415	7.0
117.06995	37.9
117.08249	0.9
119.06034	1.6
125.09622	15.5
135.08029	48.3
153.09087	25.7
153.12666	2.2
156.09258	1.3
171.10060	1.4
171.14896	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	169.0494
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
60.17222	0.2
63.47625	0.3
66.93529	0.3
68.99773	2.8
81.03379	0.3
83.01274	0.3
92.09105	2.4
92.44644	0.3
97.02864	0.7
98.03653	3.3
99.04464	0.4
109.02864	1.4
111.00788	29.0
126.03110	39.1
129.83452	0.4
141.05444	100.0
169.04922	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
56.71568	0.4
68.99778	3.5
69.63959	0.4
70.04183	0.4
85.02368	0.4
85.02886	0.5
92.08755	0.8
92.09257	0.4
97.02837	0.6
98.03658	4.9
109.02863	1.0
111.00785	30.7
119.31369	0.4
126.02135	0.7
126.03106	39.0
141.05441	100.0
169.04922	45.6
183.37294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0654
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
53.03927	1.0
54.83408	0.2
56.96546	0.8
59.07837	0.2
65.03913	0.4
66.45782	0.2
67.05146	0.2
67.05486	5.2
79.05463	0.8
91.79415	0.2
94.06537	18.0
95.04936	0.2
98.97573	0.3
106.06525	6.7
109.05185	0.2
122.05997	12.8
138.37057	0.2
150.05470	100.0
168.06505	6.6
168.10167	0.4
174.99298	0.2
185.66357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
51.72013	1.7
53.03931	2.0
55.05491	2.2
67.05483	2.3
69.07017	2.5
71.04980	1.8
78.04689	7.2
79.05463	19.9
79.92260	1.7
81.07021	4.0
82.30488	1.6
84.96003	4.3
91.05460	2.1
92.08878	9.6
93.07037	7.2
95.04948	3.3
95.08582	2.9
106.04152	1.9
107.04948	17.0
107.08604	12.5
109.06559	1.8
110.03661	12.8
111.04365	2.0
114.40328	1.8
121.01638	16.9
121.06500	3.6
121.10109	8.7
123.04410	7.7
124.05173	2.4
125.05981	20.7
135.04381	6.8
139.02711	4.0
144.03236	2.5
149.05888	2.0
151.03888	2.3
165.07060	1.8
167.07004	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	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03927	0.6
54.81863	0.4
55.05508	0.4
59.40247	0.4
65.03918	0.5
67.05476	0.5
76.56506	0.5
78.04688	18.9
79.05473	2.6
90.24579	0.5
92.09029	2.4
93.40120	0.4
94.04182	0.5
95.04921	3.1
96.05727	0.8
105.03368	0.8
106.04150	7.7
107.04922	1.0
109.02849	1.8
115.76624	0.5
116.19116	0.6
120.01970	0.5
121.01624	3.2
122.03648	1.8
123.04398	34.1
124.05177	8.5
133.02696	0.5
134.03581	1.7
135.04369	0.8
137.05920	0.6
138.03113	0.7
139.02707	2.6
144.03238	2.4
151.03860	6.8
152.04654	5.6
162.04199	0.7
167.06996	100.0
168.04187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
56.20943	0.1
56.44556	0.1
64.37773	0.1
65.08134	0.1
67.28262	0.1
70.30618	0.1
79.05490	1.6
91.05459	1.1
92.08954	0.2
93.07017	2.8
95.04955	0.2
103.05441	11.3
107.04931	2.3
118.06528	0.3
120.08074	100.0
131.04897	1.8
149.05946	0.8
166.08604	1.7
175.81363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03940	3.8
53.37872	2.5
54.82275	2.9
55.05494	18.3
56.96557	2.7
57.03424	15.6
57.07066	4.4
59.04985	5.2
65.03910	4.0
67.05489	40.1
67.43536	3.0
69.03420	39.0
69.07054	6.5
71.04977	4.4
74.57458	2.6
79.05472	26.1
81.03400	5.2
81.07041	44.7
83.04956	12.9
83.08652	2.7
85.02891	5.1
91.05464	49.2
93.07037	11.7
95.04950	49.8
95.08597	41.4
98.90934	3.1
101.00867	12.3
105.03401	6.5
105.07011	54.6
107.04893	4.9
107.08578	62.3
108.99329	2.8
109.06512	33.7
109.10147	3.9
117.06985	4.4
119.01906	93.0
119.04909	44.0
119.08555	54.2
121.10107	15.1
123.08038	40.2
123.11694	34.2
134.15822	3.4
137.02942	32.8
137.09573	6.4
137.13234	5.4
142.03500	43.1
147.04408	74.9
147.08040	23.3
147.11661	30.8
155.85321	3.3
160.04520	28.9
165.09032	6.1
165.12715	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	165.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28228	0.5
53.00297	1.5
55.01861	3.7
55.05496	4.0
56.96549	4.8
57.03426	12.9
59.04991	37.5
61.02912	1.3
64.92796	2.8
67.05492	13.7
69.03413	7.8
69.07054	58.0
71.04976	34.8
73.02896	3.1
73.06540	20.1
75.04457	2.9
79.05470	8.8
81.03417	0.9
83.04966	3.3
85.02896	4.0
85.06528	11.4
87.04464	1.5
87.08105	0.7
89.06020	9.3
91.05457	2.7
95.04958	2.5
97.06509	78.3
97.96716	0.8
99.04428	1.1
99.08068	5.8
101.00864	15.9
101.06012	1.0
103.95056	0.7
109.02869	0.8
111.08092	0.9
115.07562	4.5
119.01899	100.0
119.04937	3.5
120.01982	0.8
123.04448	1.3
123.96424	6.0
124.02420	1.2
129.09093	11.4
137.02933	37.2
142.03474	49.3
143.03642	0.8
147.04396	4.1
151.04338	1.2
159.73279	0.7
160.04530	22.2
165.05199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.95481	0.2
58.49209	0.3
58.81657	0.2
61.04982	0.2
65.03923	2.1
69.03413	0.5
71.04940	0.2
76.56754	0.2
82.79217	0.3
85.02902	0.4
86.26687	0.3
91.05462	35.0
95.04929	2.2
101.00865	1.7
105.03367	0.6
119.01910	10.4
119.04921	67.5
123.04432	2.5
124.02423	0.3
127.46992	0.3
134.30869	0.2
137.02919	3.7
140.97998	0.3
142.03474	5.9
147.04391	100.0
152.16095	0.3
157.78621	0.3
160.04469	2.1
163.49373	0.3
165.05458	1.6
165.09048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18472	0.2
58.19996	0.2
58.69539	0.2
63.52420	0.2
63.69701	0.2
73.53278	0.2
76.55600	0.3
82.99834	1.2
91.42406	0.3
100.02454	1.1
101.00853	25.9
110.95184	0.2
116.44450	0.2
118.03530	0.3
119.01891	100.0
120.02031	0.3
121.02345	0.4
124.02399	2.5
131.11058	0.2
137.01840	0.4
137.02925	26.1
142.03471	48.3
160.04509	14.6
160.05850	0.5
165.05020	0.3
175.79659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95481	0.2
58.49209	0.3
58.81657	0.2
61.04982	0.2
65.03923	2.1
69.03413	0.5
71.04940	0.2
76.56754	0.2
82.79217	0.3
85.02902	0.4
86.26687	0.3
91.05462	35.0
95.04929	2.2
101.00865	1.7
105.03367	0.6
119.01910	10.4
119.04921	67.5
123.04432	2.5
124.02423	0.3
127.46992	0.3
134.30869	0.2
137.02919	3.7
140.97998	0.3
142.03474	5.9
147.04391	100.0
152.16095	0.3
157.78621	0.3
160.04469	2.1
163.49373	0.3
165.05458	1.6
165.09048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	(+)-Isoclavukerin A
Peak:m/z	Relative Intensity
50.52369	1.5
52.95186	1.7
53.00288	1.9
55.05505	17.8
55.10497	1.4
57.07061	10.5
57.85720	1.9
59.52158	1.7
69.07059	37.2
73.27528	1.7
76.90001	1.7
79.05482	12.9
81.07045	1.8
83.08614	15.4
91.05451	12.7
93.07027	30.3
95.04925	2.6
95.08584	3.1
99.04385	1.9
103.05398	7.0
105.07031	18.5
107.08582	79.5
107.71816	1.5
108.09355	3.7
109.06474	2.0
119.08556	7.9
121.09247	4.2
121.10123	100.0
123.08038	3.8
123.67808	1.8
128.16389	1.6
131.04953	2.7
134.10948	2.3
135.11687	23.3
163.03877	3.5
163.14771	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	163.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87950	0.7
53.03946	1.3
54.81936	1.1
55.05509	14.4
57.03423	4.1
57.07060	11.6
61.02916	1.8
62.92974	5.2
69.03415	14.5
69.07055	100.0
69.66863	0.8
71.04993	1.3
73.02892	2.0
73.06538	80.0
77.03860	0.7
79.05476	12.9
81.03411	3.4
81.07043	53.0
83.08613	4.0
85.02901	12.7
85.06532	41.7
88.03408	0.9
89.03887	1.9
89.06034	2.0
92.08953	5.9
97.02878	1.4
97.06508	26.2
99.04452	1.7
99.08086	6.1
103.05430	0.9
107.04970	1.0
109.06504	15.1
115.07548	74.7
117.03362	4.8
120.97969	0.9
121.00757	3.2
121.96613	10.6
127.03933	1.6
127.07536	23.5
135.04399	6.2
139.01793	7.3
145.02827	1.6
163.01830	5.1
163.03870	6.8
163.07433	1.0
178.96942	0.9
181.02815	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	163.0598
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
51.35541	0.8
53.03922	5.1
55.01624	1.4
55.01866	25.7
55.05488	4.5
57.03182	1.3
57.03432	32.6
57.07063	6.2
59.04969	1.0
61.02914	39.0
67.01804	0.8
69.03414	81.5
71.01328	2.5
71.04962	4.6
73.02897	26.0
73.21560	0.8
75.04500	1.2
81.03400	11.7
83.01315	1.8
83.04965	1.0
85.02888	100.0
87.04436	2.4
89.03910	1.6
89.06006	2.3
91.03937	7.5
97.02873	22.1
99.04424	14.7
101.02351	16.0
102.07580	1.0
107.04993	1.0
109.02866	4.7
109.15307	0.9
115.03901	1.9
117.05463	5.3
127.03881	17.5
127.27015	1.1
135.04393	4.8
145.02792	1.0
145.04967	1.6
163.03882	2.2
166.37206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0599
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03933	5.1
53.25468	0.6
55.01595	0.9
55.01863	24.6
55.05499	4.1
56.59150	0.6
56.96549	1.5
57.03428	31.4
57.07060	2.8
59.04982	1.5
61.02913	29.6
69.03416	89.2
69.07056	7.7
71.01332	4.3
71.04965	6.7
73.02901	23.7
73.06532	8.4
75.04453	0.9
75.82446	0.7
79.05465	3.7
81.03397	12.0
81.07020	3.6
83.01325	3.1
83.04967	0.9
85.02889	100.0
85.06538	2.9
85.08436	0.7
87.04427	3.2
89.03893	18.7
91.03940	3.3
92.08646	1.0
92.09180	1.5
95.04955	0.9
97.02873	25.4
97.06493	1.1
97.96764	1.0
99.04430	15.3
101.02363	16.6
103.03949	1.5
103.05464	2.9
103.09522	0.9
107.04951	1.1
109.02875	5.2
115.03920	3.9
115.07545	5.9
117.03357	11.9
117.05477	4.3
127.03908	17.0
130.06432	1.2
131.00102	0.8
131.04938	1.1
135.04391	20.9
142.03824	1.3
145.02838	8.1
145.04900	1.7
151.04349	1.2
163.03882	16.9
163.08694	0.9
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
57.07063	1.0
57.86613	0.7
59.40969	0.7
63.02353	1.4
67.23483	0.8
79.05475	8.2
85.02866	0.7
89.03899	65.4
92.09080	1.0
95.04946	1.3
95.43537	0.8
105.04511	0.7
107.04940	10.3
117.03358	48.7
122.03626	1.0
123.45027	0.7
132.02058	3.8
135.04393	72.9
145.02831	31.2
145.03847	0.9
163.03876	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03938	2.0
55.01851	6.7
55.05489	0.8
57.16135	1.0
66.04709	1.4
69.07056	2.3
75.34268	0.9
79.05479	17.9
87.04462	1.1
89.03878	1.9
90.04666	6.2
91.05445	2.5
92.27711	1.1
95.04932	6.5
96.75711	1.1
98.21471	1.1
103.05457	29.8
105.07019	100.0
115.05441	28.8
116.14637	1.1
118.04144	23.7
119.01907	4.3
119.08602	1.3
131.04916	2.4
133.06470	50.1
133.08000	1.3
137.02959	1.2
143.06000	4.0
160.81067	1.0
161.05992	13.7
161.13225	1.1
172.40381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.63887	1.2
53.03922	1.5
55.05504	16.3
55.53844	1.3
57.65096	1.4
61.83737	1.5
66.39291	1.1
67.05487	9.0
69.07050	10.3
79.05459	12.2
81.07040	19.9
91.05460	35.0
92.08694	2.8
92.09211	6.2
93.07027	20.4
95.04935	2.4
95.08577	1.7
103.05432	1.8
105.07011	88.1
107.08564	8.8
115.05434	2.3
117.06970	9.0
119.08562	100.0
131.08510	8.9
133.06419	1.3
133.10103	44.3
143.28658	1.7
146.10892	2.1
159.11661	2.8
161.09561	3.1
161.13214	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57386	0.3
52.94416	0.3
67.32342	0.4
72.53706	0.3
82.99811	1.0
88.72109	0.5
92.08904	1.6
98.97567	1.5
101.00857	20.4
101.01516	0.9
102.00932	0.7
103.02435	0.4
111.04395	0.4
116.98604	1.5
119.01892	100.0
120.01960	4.5
122.46462	0.4
134.99658	0.5
137.02925	41.1
137.49976	0.9
137.99973	0.7
138.03018	1.7
142.03459	2.1
143.03604	3.3
149.00786	0.6
160.04549	0.6
161.02893	3.3
161.04691	2.1
179.04010	7.8
179.05577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80315	0.5
55.01850	0.5
55.05503	28.0
56.05021	3.0
56.96560	5.0
57.03415	1.2
59.04980	0.6
60.08152	1.3
68.05009	0.6
69.07053	15.5
70.06577	9.5
71.04951	1.3
72.08129	0.8
72.22501	0.6
73.02891	0.9
74.02401	0.9
75.04441	0.6
79.05464	1.2
81.03400	0.8
81.82049	0.5
82.03744	0.6
82.06533	0.8
86.06059	0.8
86.09676	1.0
87.04446	0.8
92.08924	0.6
95.04992	0.6
96.08106	100.0
97.02316	0.8
97.06494	2.8
97.07053	0.6
97.96770	1.2
98.97575	1.3
100.07601	2.7
100.55528	0.6
101.02344	1.0
101.06007	3.1
114.05485	3.9
114.09148	34.5
114.09946	1.4
115.97784	0.8
116.98606	1.0
117.02054	0.7
119.01888	1.2
121.30653	0.6
126.28851	0.5
129.01817	2.3
137.02928	0.9
142.03583	0.6
142.08618	23.9
147.02812	0.6
149.01151	0.8
151.04358	2.8
157.05623	0.5
160.04388	0.7
160.09654	53.3
160.13264	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	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01859	0.6
55.05505	12.1
56.96562	0.8
57.03426	1.0
59.04984	1.7
66.91088	0.4
67.05492	22.9
69.07055	17.8
70.84748	0.5
71.04978	1.0
73.06532	2.0
79.05479	3.0
81.07042	26.0
81.07533	0.9
83.04983	5.2
83.08607	7.0
85.02884	0.6
85.10176	0.6
92.08711	0.6
93.07027	6.5
95.04960	0.5
95.08587	100.0
97.06520	9.6
97.10127	0.5
98.97572	4.1
99.08073	28.0
105.07027	0.8
111.08041	1.0
113.09624	10.8
115.07561	4.5
116.98606	3.2
117.99005	0.5
123.08045	30.4
129.09109	2.9
134.99609	1.0
141.09087	25.9
151.03722	0.5
159.10139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0967
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
54.80315	0.5
55.01850	0.5
55.05503	28.0
56.05021	3.0
56.96560	5.0
57.03415	1.2
59.04980	0.6
60.08152	1.3
68.05009	0.6
69.07053	15.5
70.06577	9.5
71.04951	1.3
72.08129	0.8
72.22501	0.6
73.02891	0.9
74.02401	0.9
75.04441	0.6
79.05464	1.2
81.03400	0.8
81.82049	0.5
82.03744	0.6
82.06533	0.8
86.06059	0.8
86.09676	1.0
87.04446	0.8
92.08924	0.6
95.04992	0.6
96.08106	100.0
97.02316	0.8
97.06494	2.8
97.07053	0.6
97.96770	1.2
98.97575	1.3
100.07601	2.7
100.55528	0.6
101.02344	1.0
101.06007	3.1
114.05485	3.9
114.09148	34.5
114.09946	1.4
115.97784	0.8
116.98606	1.0
117.02054	0.7
119.01888	1.2
121.30653	0.6
126.28851	0.5
129.01817	2.3
137.02928	0.9
142.03583	0.6
142.08618	23.9
147.02812	0.6
149.01151	0.8
151.04358	2.8
157.05623	0.5
160.04388	0.7
160.09654	53.3
160.13264	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	159.1015
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
55.05505	69.0
56.96552	2.4
57.03437	13.1
57.07052	1.4
59.91318	0.8
67.05489	24.0
69.03380	1.2
69.07054	63.5
70.92924	1.0
71.04949	3.6
77.88692	0.9
79.05473	1.3
81.07050	11.0
81.07452	1.0
83.04964	43.9
83.08576	2.3
85.06505	1.1
92.08672	1.5
92.09160	1.8
93.07014	5.7
95.08582	100.0
97.06494	18.8
97.10152	6.2
98.97575	11.7
99.04485	1.1
99.08067	2.4
113.09628	20.3
116.98617	11.4
123.08052	12.7
131.08534	1.9
131.11758	1.1
131.46411	1.1
134.99605	9.0
135.99959	1.2
141.09079	32.9
144.21469	1.2
153.00681	1.9
159.10089	2.1
159.11577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01870	1.5
55.05262	1.2
55.05503	21.6
56.96552	4.1
57.03424	3.4
67.05491	25.4
69.07054	47.9
70.05735	0.7
71.04984	7.3
72.54000	0.6
73.06535	3.2
73.53874	0.6
79.05477	4.8
81.07041	43.3
81.07528	1.6
83.04966	18.0
83.08603	23.2
85.02903	0.9
85.06514	1.0
87.08092	1.8
93.07050	5.5
95.08586	100.0
96.08950	0.8
97.06507	17.5
98.97569	10.3
99.08070	20.9
99.97884	1.4
105.07030	1.7
111.08067	6.0
113.09638	3.9
113.52859	0.7
115.07540	8.8
116.98603	8.8
123.08054	22.1
129.09131	8.8
134.99646	4.0
141.09081	25.8
141.12703	1.2
142.00002	0.8
159.10144	3.8
161.04735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.5
56.96561	12.9
59.04999	5.4
64.33248	0.5
67.05501	6.7
69.07054	100.0
71.04966	0.7
71.95226	0.6
73.06537	15.5
79.05445	1.3
81.07041	10.3
84.06151	0.6
89.22401	0.7
92.09050	3.2
94.12742	0.7
95.08005	1.1
95.08585	19.1
97.06509	44.3
97.77707	0.6
98.97559	38.5
99.08099	4.7
99.97903	3.3
103.18118	0.6
105.06992	0.8
115.07550	38.8
116.98600	30.9
117.18721	0.6
117.98967	1.5
118.96738	2.6
119.01920	0.6
123.08047	6.3
134.99643	22.7
136.00008	1.0
141.09076	3.0
153.00664	3.4
160.89986	0.7
166.76122	0.6
171.21773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1015
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
53.03933	0.5
55.05507	5.8
56.96548	0.5
57.03429	0.7
59.04982	3.0
59.12799	0.4
59.86390	0.4
67.05496	22.0
69.07059	29.4
70.87294	0.4
71.04955	0.5
73.06548	3.4
79.05472	2.6
81.07039	20.0
83.04958	1.8
83.08578	0.6
85.06492	0.6
85.10202	0.6
93.07036	6.0
95.08586	100.0
97.06511	16.6
97.10157	0.5
98.97567	3.3
99.08076	28.8
105.07021	0.7
111.08021	0.6
113.09629	11.3
115.07549	10.7
115.23828	0.6
116.98597	1.1
123.08044	33.5
129.91232	0.4
134.99625	0.5
141.09093	25.7
142.30441	0.5
149.89420	0.5
159.10168	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	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
69.05129	1.9
74.09698	12.1
82.11358	1.4
92.09338	1.6
96.96881	1.7
110.07169	3.4
130.06305	16.2
156.04205	100.0
163.76884	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	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	15.5
71.95242	1.5
86.88326	0.2
88.59363	0.2
98.97559	100.0
116.98595	71.0
121.50961	0.2
121.57915	0.2
134.99631	31.0
137.00078	0.2
140.00179	0.9
141.96951	1.5
153.00679	4.7
158.01207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03944	1.3
55.01862	2.3
55.05502	8.4
57.07064	8.9
59.04974	6.7
62.02216	1.1
65.03915	2.9
67.05492	50.8
69.03417	61.7
69.07050	11.0
70.95850	8.8
71.01340	10.1
71.04974	61.8
71.08607	1.5
72.93773	22.8
79.05470	2.1
81.03410	1.4
81.07034	20.1
83.04966	3.2
85.02891	5.7
85.06522	13.0
87.04465	1.2
90.94809	3.3
91.05456	7.3
93.07024	11.6
95.04948	34.4
95.08583	32.6
97.06510	11.1
99.04442	20.1
99.08072	2.3
105.02351	1.5
107.04924	1.9
107.08546	2.2
109.06525	10.7
109.10141	74.2
111.04417	2.1
111.08059	20.7
111.98461	1.4
113.05987	26.9
113.09653	2.6
113.96378	8.3
119.08572	5.4
122.07249	20.8
123.04440	2.8
127.07487	1.8
131.36542	1.6
131.96178	3.3
131.97417	7.8
132.95787	9.8
137.09590	100.0
149.97176	7.3
150.96873	20.1
155.05968	1.5
155.06995	9.9
155.10657	37.1
155.14279	2.5
173.10881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
59.04980	0.9
65.03923	6.1
67.05492	8.6
69.03436	0.6
69.07043	0.8
71.04966	3.5
75.04461	1.6
79.05486	1.5
80.02587	0.6
81.03381	5.8
82.04177	0.9
83.04974	0.9
95.04947	100.0
96.05766	6.5
97.02865	1.3
97.06509	9.0
99.01498	0.7
108.02111	0.9
111.04420	4.2
112.05218	4.5
116.21000	0.7
123.04396	6.4
125.05936	1.5
126.06790	0.8
127.07529	11.8
140.04654	2.8
144.03397	0.8
155.07007	23.2
155.08266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0498
Annotation	(5R)-Carbapen-2-em-3-carboxylate
Peak:m/z	Relative Intensity
50.25890	0.2
51.41628	0.2
56.96573	2.3
57.03424	0.4
59.46188	0.3
59.65089	0.3
70.02934	5.5
74.80119	0.3
81.03381	0.3
83.03288	0.3
83.03697	2.5
84.04490	0.6
89.56102	0.3
97.96809	0.3
111.03166	51.6
112.04775	0.3
114.37006	0.4
118.68211	0.3
123.07838	0.3
126.05492	100.0
127.05853	0.5
130.96283	0.5
131.96107	0.4
133.05840	0.4
136.07614	0.6
139.02591	1.4
148.97316	1.5
149.01213	0.3
149.97131	1.6
154.04965	67.2
163.26514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0702
Annotation	Musacin D
Peak:m/z	Relative Intensity
50.69825	0.8
52.31739	0.8
53.03940	2.1
53.29635	0.8
56.96543	1.1
59.04987	2.0
65.03916	6.3
67.05489	9.5
71.04953	4.1
71.31545	1.0
75.04448	2.0
79.05463	2.1
81.03400	5.2
81.07025	1.4
83.04948	1.0
83.64765	0.9
92.09013	1.7
92.24513	1.0
95.04948	100.0
96.05727	6.5
97.06516	8.1
100.14970	1.1
108.02033	1.1
109.79952	1.1
111.04443	4.5
112.05211	2.5
123.04396	7.0
125.05904	1.1
126.06830	1.2
127.07536	10.3
131.96198	1.1
139.77225	1.0
140.04634	2.3
149.97313	1.3
155.07005	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00288	3.1
53.03926	1.9
54.37365	1.2
54.81943	1.2
55.01847	1.3
55.05302	1.4
55.05508	20.4
55.10422	1.2
56.74759	1.2
56.96548	1.7
56.98639	1.3
57.03431	3.0
59.04982	9.9
65.03916	3.6
67.05487	10.1
67.26698	1.3
69.03412	1.7
69.07048	15.0
70.94246	1.8
71.04973	45.4
71.67042	1.4
73.06528	21.0
79.05476	26.0
81.07036	100.0
83.04957	10.8
83.08606	2.1
89.00289	1.8
91.05455	9.8
92.08615	2.6
92.64653	1.9
93.07020	45.0
95.04952	3.5
95.08594	11.0
97.06505	9.7
98.00749	2.0
105.07028	3.4
107.08566	36.9
109.06500	8.1
109.10117	12.4
110.03647	2.5
111.04427	7.2
111.08061	7.9
112.23280	1.5
121.02840	3.0
125.05916	2.3
135.04382	1.6
135.08015	1.7
135.11647	35.1
138.03058	2.5
148.97340	1.6
153.05394	15.2
153.09074	2.8
153.12714	24.3
162.42413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00302	2.4
53.03939	2.3
55.01865	2.2
55.05502	19.8
55.30412	1.1
55.75020	1.1
56.73306	1.0
56.96576	1.4
57.03417	1.5
57.07083	1.1
59.04980	7.1
65.03920	1.8
66.12898	1.1
67.05492	18.6
69.07050	12.2
71.04975	51.9
73.06535	22.0
79.05470	30.6
81.07036	100.0
83.04929	1.8
83.08619	1.3
85.06516	2.5
89.00237	1.2
91.05454	13.3
93.07020	43.8
95.04943	73.2
95.08599	6.3
97.06490	5.1
98.00742	2.7
105.07003	2.9
107.04936	2.4
107.08573	44.1
109.06499	4.9
109.10149	9.3
110.03629	8.0
111.04401	4.7
111.08056	7.4
117.06992	1.7
119.08573	1.6
125.09607	1.9
135.08060	5.5
135.11671	30.6
138.03070	10.7
148.97319	2.1
153.05460	23.7
153.09096	5.2
153.12706	18.8
159.49391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00293	5.1
53.03938	2.2
55.05505	21.6
57.07048	1.5
59.04987	7.5
65.03904	2.4
67.05478	7.2
69.03402	5.3
69.07054	12.8
69.98451	1.1
71.04977	48.5
73.06540	23.8
79.05477	27.4
81.07040	100.0
83.04971	12.6
91.05453	9.3
92.08668	1.3
92.09180	6.1
93.03315	1.9
93.07019	42.2
95.08566	11.1
97.06508	7.2
98.00755	2.7
98.67155	1.2
105.07007	1.5
107.07870	1.6
107.08578	40.4
109.06486	1.7
109.10146	10.5
110.03670	1.9
111.04430	5.9
111.08047	2.0
121.02827	4.6
125.05965	2.0
135.04399	7.8
135.11658	30.3
138.03146	1.9
146.02510	1.2
148.97383	1.5
153.05417	9.3
153.09099	2.0
153.12708	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	153.0547
Annotation	2-Hydroxyphenylacetic acid
Peak:m/z	Relative Intensity
53.03932	0.5
62.60911	0.3
66.94112	0.3
67.69472	0.3
76.10136	0.3
76.56306	0.3
79.05489	1.5
92.08998	2.7
95.04958	0.6
98.00746	0.4
107.04944	27.4
107.08627	0.4
111.04439	3.5
135.04399	39.9
153.05452	100.0
154.05736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.90981	0.3
53.10156	0.3
54.06496	0.4
57.17247	0.3
65.03928	60.8
65.61686	0.3
66.79878	0.3
69.03425	0.4
79.05462	0.5
81.07072	0.4
84.72076	0.3
90.83461	0.3
93.03387	37.0
93.07048	0.6
95.04967	0.4
95.08618	0.5
97.06486	0.5
107.08569	1.7
110.03639	9.5
111.04428	100.0
112.04803	0.4
121.02863	1.4
125.05971	46.2
135.08070	0.5
145.39317	0.3
153.02011	0.5
153.05452	23.7
153.09044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0549
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
50.12424	0.6
53.03938	5.7
54.21656	0.6
65.03915	3.9
67.05493	25.5
67.93552	6.7
69.03382	0.7
72.93774	1.3
79.05457	4.7
81.03385	1.0
92.08636	0.9
93.05766	1.1
94.06546	61.8
95.04916	1.7
105.06995	8.5
106.06559	15.3
122.06000	34.3
126.59425	1.4
148.03850	1.2
150.05479	100.0
168.06529	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	151.1118
Annotation	Carvone
Peak:m/z	Relative Intensity
55.05491	0.7
57.07055	0.8
67.05488	4.4
69.03403	0.8
69.07047	1.7
79.05471	3.9
80.78475	0.7
81.07028	11.0
83.87386	0.8
91.05457	4.9
93.07021	5.0
95.04932	3.6
95.08567	2.9
95.33887	0.7
100.97074	0.8
105.07023	7.5
107.08575	4.6
109.06512	10.0
109.10123	7.9
121.10101	1.2
123.08038	4.5
123.11687	3.2
126.70171	0.8
133.10118	3.0
136.08820	1.3
151.11165	100.0
160.50433	0.8
160.51738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.48401	1.8
54.81635	1.7
55.05494	7.5
57.83414	1.6
64.44352	2.2
65.03906	4.6
67.05179	2.3
67.05494	28.6
69.07042	12.6
79.05470	31.0
81.06593	3.7
81.07035	69.4
91.05419	13.4
93.07017	59.5
95.04951	3.1
95.08573	11.0
105.07014	3.0
107.04910	13.3
107.08579	56.8
111.04408	2.3
121.02851	13.9
121.03773	1.6
121.06488	2.6
121.10099	16.8
149.02335	37.0
149.09586	10.7
149.13237	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	149.1324
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
55.05497	3.2
56.79470	0.5
57.07064	2.4
65.03919	0.8
69.07054	2.8
70.90095	0.6
79.05472	8.0
82.40276	0.6
83.05435	0.6
91.05444	8.2
93.07022	11.6
95.08569	0.7
103.05467	2.8
105.07014	24.3
106.07832	0.8
107.08578	28.6
109.06448	2.1
119.08570	8.5
120.09342	1.0
121.10122	100.0
123.08044	4.4
133.07608	1.3
133.10080	1.3
133.20494	0.6
134.10884	0.8
149.02344	1.3
149.05928	0.7
149.09557	3.0
149.13232	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
54.00321	0.7
55.05491	2.9
57.07062	1.7
65.03914	1.7
67.05478	0.7
69.07038	2.6
72.41097	0.7
79.05481	6.5
83.02570	0.6
84.36848	0.6
89.58604	0.6
90.32410	0.9
91.05457	6.9
93.07018	9.2
95.04939	0.9
103.05437	0.8
105.07015	22.4
107.08578	27.9
109.06517	1.1
110.65981	0.6
119.08579	7.9
120.09361	1.7
121.02874	1.7
121.10123	100.0
123.07271	0.8
123.08035	5.7
133.07593	1.3
133.10112	1.5
134.10890	1.0
142.73331	0.7
149.02322	6.9
149.05911	0.8
149.09573	3.1
149.13242	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
55.05482	1.4
56.13567	0.8
56.73333	0.9
65.03914	5.0
65.46728	0.9
79.05465	9.9
81.07016	1.3
91.05467	9.4
91.52909	0.9
93.07022	26.4
95.04938	1.3
103.05445	1.5
105.07006	15.9
106.07785	1.7
107.08566	4.0
107.25225	1.0
111.04411	1.0
119.08569	1.5
121.02836	6.5
121.03977	1.1
121.06442	2.2
121.10119	18.8
131.55829	0.9
133.07593	1.1
146.17793	1.0
149.02325	20.6
149.09598	100.0
149.13248	4.9
156.54622	1.0
159.10722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.28321	0.5
54.85279	0.6
55.01855	0.5
55.05499	0.5
59.89687	0.6
65.03920	0.9
68.18899	0.7
69.03404	2.9
77.03912	0.8
79.05476	8.5
81.07027	1.1
89.03892	3.5
91.05462	28.1
92.09396	1.8
93.07024	15.5
95.04945	3.0
103.05446	4.4
105.07014	22.2
106.07819	1.3
107.04959	0.9
107.08566	3.2
109.06483	1.3
115.05428	3.0
116.06222	11.8
119.08504	3.7
121.02851	1.0
121.06486	11.5
121.10124	27.1
123.08032	2.9
129.06955	4.8
131.08543	16.0
133.06485	0.7
133.07553	1.4
134.07271	1.5
142.13362	0.8
147.08040	2.7
149.02362	4.8
149.05966	4.1
149.09599	100.0
150.09938	0.8
151.21231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
56.05030	5.5
56.24194	0.2
56.96560	0.2
57.03406	0.2
60.04506	0.5
63.02021	0.2
64.33786	0.2
67.05499	0.2
74.02421	1.3
82.38304	0.2
84.04491	100.0
84.08127	1.9
85.02889	2.3
85.04826	1.4
85.06512	1.5
88.03969	1.1
88.07589	0.2
92.08782	0.5
92.09283	0.2
99.75510	0.2
102.05524	23.6
102.09153	0.4
102.85512	0.2
130.04982	15.0
131.03424	0.3
131.05339	0.9
138.21629	0.2
138.61542	0.2
141.28329	0.2
144.29350	0.2
148.06023	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	149.0808
Annotation	(S)-Mevalonate
Peak:m/z	Relative Intensity
53.41436	0.6
55.01859	1.5
55.05496	0.7
56.54623	0.6
56.58911	0.6
56.96570	1.3
57.03428	1.2
57.07071	5.4
58.06599	0.7
59.04989	58.9
59.07392	0.7
61.02909	1.1
61.71742	0.6
65.03929	3.9
66.29443	0.7
67.05137	1.2
67.05490	25.9
69.03426	0.9
69.07059	4.3
71.04977	100.0
73.02901	0.8
85.02888	1.5
85.06530	24.8
89.72260	0.7
92.08685	1.5
92.63372	0.7
95.04944	14.9
101.02346	1.0
101.05993	15.8
103.01049	0.7
103.03899	1.2
113.05987	63.6
121.02840	1.7
123.07937	2.7
131.06985	1.2
149.02327	7.4
149.05930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.26394	1.1
55.05505	11.3
59.18643	1.2
65.03915	1.7
67.05478	1.9
69.03426	2.7
69.07059	22.1
71.19855	1.2
73.03414	1.0
75.42717	1.1
79.05496	3.6
79.76854	1.0
91.05464	52.0
92.09293	1.6
105.07014	66.5
113.84953	1.1
117.06982	4.7
119.04138	2.3
119.04923	41.7
119.08564	66.3
131.08490	1.2
132.09329	1.6
145.10072	4.9
147.04391	31.1
147.05470	2.0
147.11667	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	3.2
57.18840	0.5
57.81667	0.6
64.34057	0.6
65.03924	5.9
69.03413	1.1
69.07055	12.0
71.04979	0.6
81.37071	0.7
85.02872	0.7
86.39597	0.5
86.77814	0.6
91.05454	79.9
105.07015	5.6
114.38249	0.6
119.04914	100.0
119.08534	7.9
147.04384	61.6
147.07953	0.7
147.11658	9.5
147.48369	0.6
152.42532	0.6
154.94359	0.6
165.43187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.42411	0.4
55.05508	3.8
58.31854	0.5
60.00932	0.4
65.03925	6.5
69.03398	2.1
69.07045	16.1
91.05457	87.6
92.08781	0.7
98.71925	0.5
105.06998	4.7
107.08581	0.5
111.11686	0.7
119.04914	100.0
119.08573	5.4
120.17496	0.5
147.04384	71.9
147.11667	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.02344	0.6
55.05509	10.7
60.01057	0.6
66.97417	0.6
67.05476	1.5
67.95898	0.8
69.07048	11.6
78.78444	0.6
79.05461	3.3
79.57005	0.7
81.07024	1.2
91.05460	33.8
93.06979	1.4
103.78324	0.8
105.07011	71.9
107.08612	1.3
111.60270	0.7
117.07001	4.1
119.04919	18.1
119.08556	69.1
132.09366	1.2
145.10062	5.9
147.04378	13.6
147.11664	100.0
161.18057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.54959	0.4
55.05502	11.0
65.27932	0.6
67.05475	1.2
69.03419	0.6
69.07053	5.0
79.05463	3.0
81.07013	1.0
85.02901	0.7
91.05455	30.1
93.07011	2.4
103.05442	1.4
105.07008	85.0
107.08591	1.1
117.06990	5.3
119.04949	5.9
119.08554	76.4
127.07414	0.6
131.08559	0.7
132.09335	1.4
136.42749	0.6
138.87212	0.6
145.10149	4.1
147.04376	3.9
147.11662	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.45255	1.3
54.71838	1.6
64.92781	7.7
65.03934	5.8
65.50900	1.6
68.35940	1.4
69.03400	7.1
79.83005	1.4
81.22821	1.5
84.04476	2.0
91.05455	73.3
92.01832	2.3
93.21803	1.8
105.07005	2.1
119.04919	100.0
119.08530	2.5
123.96438	18.3
141.01175	1.7
147.04387	62.6
147.05435	2.7
147.11615	2.0
155.23357	1.6
165.77943	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.21194	0.5
54.81890	0.4
55.05502	1.2
55.42951	0.5
64.33626	0.5
65.03940	6.3
69.03420	1.0
83.08574	0.5
85.02914	0.6
91.05464	80.8
95.04948	0.6
105.07022	2.9
117.90921	0.6
119.04925	100.0
119.08551	3.6
122.58976	0.5
130.70560	0.5
144.24814	0.5
147.04396	70.3
147.11668	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	146.0923
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
51.29228	0.6
54.81499	0.9
55.05496	4.5
56.05032	5.5
57.03419	3.3
59.04988	1.5
60.05345	0.9
60.05637	23.3
67.05490	0.8
68.02621	0.8
68.05019	0.8
68.99770	4.2
69.03420	8.6
71.04970	4.5
78.52897	0.8
81.03413	5.6
83.04939	5.5
83.06075	3.5
84.04496	1.0
84.08093	1.5
85.02880	3.0
86.03227	0.8
86.06050	69.3
87.00810	1.2
87.04449	92.1
87.53490	0.9
91.05418	0.9
91.13717	0.8
95.03409	0.8
99.53429	1.5
100.02456	4.9
100.05241	1.1
100.07581	4.0
101.05981	6.0
102.02239	1.2
104.07091	18.0
109.02866	1.0
111.05547	9.7
118.01101	1.6
118.03535	4.0
119.01910	1.4
121.04122	0.8
128.07152	1.6
128.08160	12.1
129.01801	3.0
129.06587	4.5
131.01910	0.9
133.03391	1.6
141.02686	3.1
146.08174	5.1
146.09218	100.0
146.11713	3.9
147.04388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05500	1.3
57.03418	1.1
57.07066	100.0
60.07894	0.6
67.87633	0.6
68.78270	0.6
69.03384	0.8
69.06701	1.2
69.07056	17.2
71.04984	1.8
73.06540	0.9
79.05487	10.9
81.03387	1.3
81.07038	40.9
83.08611	3.5
85.02871	4.0
85.06526	38.9
97.06518	7.2
99.04406	3.4
99.08056	1.1
104.60211	0.7
109.06511	19.6
115.07539	9.0
121.96638	1.7
127.07529	23.5
145.04973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0859
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
51.07663	0.5
55.05500	1.0
57.03427	1.0
57.07064	100.0
69.03446	0.7
69.07047	1.5
70.38157	0.6
71.04980	1.6
75.38745	0.6
79.05470	12.2
81.03394	0.7
81.07032	38.4
83.08601	3.2
85.02866	2.3
85.06522	38.7
94.14364	0.6
94.15027	0.7
96.02882	0.6
97.06501	0.7
99.04425	1.1
99.08063	1.1
109.06496	18.1
115.07558	0.9
121.57855	0.7
121.96630	0.8
127.07519	25.4
139.69250	0.7
145.08540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60704	3.2
55.05511	7.4
57.03442	5.5
57.07065	32.3
59.04992	82.2
60.84337	4.1
65.03963	4.3
65.24545	3.7
67.05485	100.0
67.05836	4.4
69.03433	27.6
70.73968	3.8
71.04973	73.9
73.06564	6.5
78.59399	3.8
85.06524	71.5
87.04469	9.9
90.02028	5.0
91.73085	4.2
95.04943	30.3
99.04418	7.0
105.07067	4.6
113.06001	49.5
145.10167	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	145.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52810	1.2
55.05494	2.7
57.03422	5.4
57.07061	5.4
58.86773	1.2
59.04990	100.0
60.95832	2.6
65.03906	1.7
67.05147	1.7
67.05491	44.5
69.03415	61.7
71.04972	16.9
73.02851	1.4
73.06533	6.2
77.03114	1.3
78.90390	1.3
82.88296	1.2
83.04974	2.0
83.08573	1.7
85.02874	1.9
85.06518	9.3
87.04446	31.6
90.02012	6.7
92.08665	7.1
95.04394	2.5
95.04947	39.6
99.04379	1.7
101.05978	1.8
109.06532	2.0
113.06006	16.0
121.96597	2.5
126.39708	1.6
127.03930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.5
57.03406	3.6
59.04715	5.8
59.04988	100.0
64.33352	3.4
64.62344	2.6
65.03910	3.1
67.05489	41.7
69.03070	3.7
69.03416	77.0
71.04967	21.0
73.06530	5.7
80.60126	2.7
83.08584	12.9
85.06511	5.5
87.04445	33.3
90.01989	4.7
90.02822	3.1
95.04946	36.7
99.04424	4.7
104.78224	3.0
113.05982	6.3
121.96603	6.3
123.27081	3.0
127.07510	3.4
146.68172	2.9
148.45683	3.1
160.92876	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	145.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.6
57.03422	9.4
57.07052	13.6
57.87909	1.9
59.04992	100.0
60.95810	2.6
65.03927	2.0
67.05493	51.0
69.03412	16.3
70.75777	1.9
71.04976	40.0
72.60165	2.1
73.06536	3.1
83.08616	4.0
85.06540	35.6
87.04455	24.7
90.01994	5.3
95.04948	34.8
102.46996	2.4
112.68185	2.5
113.05994	33.1
121.96587	3.5
139.76576	2.3
145.10117	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	145.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23233	1.1
55.05499	2.0
55.78983	1.2
56.33932	1.3
57.03431	6.2
57.07069	2.5
59.04989	100.0
60.95837	1.8
65.03938	1.4
67.05495	39.1
69.03419	8.3
71.04971	18.4
73.06538	2.9
73.90630	1.3
81.01484	2.4
83.08609	7.3
85.02895	2.0
85.06518	12.7
86.06656	1.4
87.04446	20.7
90.02006	5.2
92.08611	3.7
95.04940	27.5
99.04432	2.9
101.06014	2.3
113.05985	16.1
121.96622	5.8
145.10141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03927	7.4
55.01862	14.9
55.05507	9.2
56.96556	9.6
57.03432	19.4
59.04983	2.5
61.02909	17.1
62.92969	5.6
69.03072	2.1
69.03416	43.3
69.07042	3.0
70.06597	1.2
71.04977	20.9
72.04491	2.3
73.02893	2.5
73.06535	1.4
73.95921	1.0
80.25452	1.0
81.03400	17.7
81.07042	1.7
83.01340	2.0
83.08600	15.4
84.08115	1.5
85.02887	100.0
85.06509	2.7
86.06016	1.8
86.09652	1.8
87.04426	1.2
87.50681	1.3
95.58743	1.1
97.02868	26.0
99.04436	38.0
100.05098	1.5
101.25547	1.2
109.02856	10.4
115.07558	1.8
121.01575	2.0
121.96629	13.7
127.03879	17.0
128.10722	1.4
144.98203	1.3
145.04950	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82143	0.1
54.81392	0.1
59.36608	0.1
60.95840	1.2
60.99619	0.3
61.95206	0.2
62.00386	0.1
70.06581	1.1
71.02992	0.1
78.99757	0.3
84.04500	0.2
84.31192	0.1
84.96029	0.9
84.99585	0.6
97.00780	1.3
98.06048	1.8
99.04442	0.2
100.02446	0.5
101.00820	0.2
102.00928	0.5
102.02193	1.0
102.96830	2.6
103.00611	10.9
103.01229	0.5
103.02422	0.5
118.03477	0.3
119.01894	3.2
120.01974	5.7
120.03168	1.1
120.97900	2.5
121.01638	100.0
123.02080	0.5
126.02138	1.1
135.03250	0.2
137.02914	1.8
138.03012	3.1
138.04266	0.5
138.98958	3.6
139.01854	4.2
139.02673	59.1
141.03069	0.2
142.03436	0.9
144.03201	35.0
145.03439	0.2
156.99931	0.6
160.04469	0.3
162.04250	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41169	0.4
75.68549	0.5
76.81474	0.4
82.99844	0.6
88.51702	0.5
97.52164	0.5
100.02422	0.8
101.00856	21.4
118.03462	0.5
119.01888	100.0
120.01927	0.7
124.02397	1.8
133.98109	0.5
137.02927	33.6
137.49950	2.8
142.03468	32.9
149.00774	0.9
160.04495	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	143.0704
Annotation	Dihydrosarkomycin
Peak:m/z	Relative Intensity
52.90582	1.1
53.03940	7.6
53.96489	0.9
55.01869	2.1
55.05504	2.5
56.96560	1.2
57.03446	1.1
65.02683	1.1
67.05489	1.6
69.03422	7.0
69.07062	20.7
71.04984	1.3
73.06539	1.3
73.86871	1.1
77.11784	1.3
79.05479	100.0
81.07043	41.3
83.04977	3.1
86.35793	1.2
89.80520	1.3
92.64316	1.4
95.04970	12.8
97.02898	1.3
97.06512	54.8
105.04479	2.0
107.04937	14.0
113.94051	1.3
118.45837	1.3
119.01945	2.3
120.02053	7.1
125.02345	2.0
125.05979	60.9
129.13138	1.2
138.03015	1.9
139.01813	1.4
143.03471	8.3
143.07013	42.9
154.44615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.091
Annotation	2-Propyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
53.03944	3.9
55.01880	0.4
55.05264	0.7
55.05507	12.9
56.96569	0.6
57.03424	2.8
57.07067	0.5
58.91807	0.3
60.59458	0.4
65.03920	1.9
67.05496	39.0
69.07050	2.4
69.88535	0.3
71.04983	4.4
74.96282	0.4
79.05470	7.1
81.03400	5.4
81.07040	49.6
83.04962	1.0
85.02908	2.2
85.06543	1.9
93.07018	8.5
95.04908	3.5
95.08588	100.0
96.08932	0.4
97.06512	3.9
98.03639	1.6
98.97569	0.4
99.04410	0.8
99.08078	30.6
99.97879	0.7
100.02456	0.5
105.07026	2.0
109.02849	0.9
111.04346	0.5
113.06010	0.7
115.92909	0.4
116.98594	1.0
117.98966	1.0
119.01913	0.6
123.08039	14.2
134.99622	0.6
137.02869	0.7
141.05435	3.7
141.09090	6.1
154.20770	0.4
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-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03943	49.2
55.05497	11.9
62.05223	1.7
65.03942	2.9
66.39174	1.8
69.51511	1.8
71.04983	12.4
81.02927	4.4
81.03400	100.0
85.06524	14.5
92.09334	2.9
95.04945	45.3
97.02866	14.3
98.03654	27.6
109.02865	13.0
113.05981	21.7
114.74384	2.0
141.05453	54.4
144.33153	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.091
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
53.03937	4.2
54.48139	0.4
55.01866	0.7
55.05264	0.7
55.05505	11.4
56.96566	1.1
57.03423	4.0
57.07051	0.6
59.31553	0.4
62.26082	0.4
62.44962	0.4
65.03930	1.2
67.05492	38.1
69.03421	0.5
69.07056	3.9
71.04972	4.9
71.62689	0.5
73.66633	0.5
75.59108	0.5
79.05477	7.3
81.03392	8.8
81.07040	43.6
83.04964	6.1
85.02886	1.2
85.06529	2.1
91.05492	0.6
92.09155	2.8
93.07018	7.6
95.04964	4.0
95.08588	100.0
97.06524	4.5
98.03655	2.5
98.97562	2.0
99.04440	0.9
99.08074	30.1
99.97898	1.1
100.02502	1.9
105.07027	2.5
109.02880	1.0
113.06012	2.6
116.98612	1.1
117.98932	1.2
119.01884	2.1
123.08048	14.2
134.99696	0.7
135.99989	0.9
137.02820	0.5
141.05472	5.2
141.09082	5.7
141.12807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47971	0.3
56.96558	27.9
67.56081	0.3
69.09657	0.4
71.95245	4.5
76.06989	0.3
77.24860	0.4
81.22900	0.4
83.04951	0.4
91.88538	0.4
98.97562	100.0
100.02399	0.4
103.02378	1.1
111.04444	2.1
116.05776	0.7
116.98600	83.7
121.03407	0.6
134.99635	46.2
153.00676	7.3
158.01236	0.8
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-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03940	48.5
55.05497	11.3
60.99565	2.5
66.93848	2.3
67.05508	3.0
68.72564	2.7
71.04314	2.3
71.04971	12.9
81.03395	100.0
84.08260	2.3
85.06523	11.6
92.64565	2.5
95.04943	41.6
95.60789	2.3
97.02882	6.0
98.03636	28.5
109.02856	16.0
113.05971	22.2
141.05431	69.1
149.37157	2.8
155.10555	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	141.0545
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03938	46.0
55.01862	2.6
55.05497	7.1
58.04484	1.5
65.03935	2.5
71.04970	10.1
74.74487	1.6
78.71234	1.5
80.89658	1.5
81.03400	100.0
83.19669	1.5
85.02831	1.6
85.06513	13.9
85.07746	2.1
87.36968	1.4
92.08874	3.3
95.04946	38.0
97.02864	9.1
98.03654	28.2
99.04443	2.1
109.02841	15.2
111.04427	1.7
112.05224	2.4
113.05997	16.8
126.08961	1.5
136.51421	1.5
141.05431	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03942	1.0
55.01873	1.5
55.05510	14.3
56.96561	33.1
57.03425	1.5
57.93551	0.8
65.03925	1.2
67.05496	18.6
69.03405	1.3
69.07054	39.3
71.04980	18.6
71.95260	1.2
79.05471	20.8
81.07040	16.6
83.04979	5.4
83.06100	0.9
83.08605	1.1
91.05457	5.4
92.08881	1.0
93.03338	0.8
93.04483	0.8
93.07025	40.4
93.87375	0.7
95.04944	3.8
95.08591	42.2
97.06518	17.5
97.10143	1.4
98.97569	23.3
109.10187	1.0
111.04430	1.6
111.08054	1.3
116.97233	2.9
116.98601	27.2
121.02898	2.7
121.04050	0.7
121.06521	3.4
121.10123	30.9
124.09986	1.0
133.98549	0.7
134.99641	27.1
139.03938	1.2
139.05020	1.0
139.06482	0.9
139.07549	2.9
139.11180	100.0
139.12286	11.9
144.83743	0.7
153.00723	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26391	0.4
53.03930	0.4
55.05505	0.5
61.85819	0.5
67.05495	12.3
69.03383	0.6
74.97994	0.4
77.20515	0.5
79.05485	1.8
80.52400	0.4
81.07047	3.3
91.05471	4.4
93.07025	1.0
95.04944	0.8
95.08582	3.2
105.53253	0.6
107.04951	6.7
109.10149	20.5
117.06947	0.5
119.08571	8.4
121.06508	4.0
122.03650	0.7
122.07269	53.2
135.07996	2.5
136.66986	0.4
137.05991	1.8
137.09599	100.0
153.51381	0.7
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	Salicylic acid
Peak:m/z	Relative Intensity
54.05690	0.2
55.01877	0.2
56.80160	0.2
56.96559	2.4
60.32616	0.2
65.03926	7.2
67.05502	0.2
67.17976	0.2
68.57920	0.2
77.91720	0.2
79.15455	0.2
79.91659	0.2
83.93480	0.2
92.09244	0.3
93.03377	4.0
95.04928	0.9
98.97572	1.8
111.03671	0.3
111.04424	7.5
116.98569	1.7
121.02843	100.0
122.03182	0.4
134.99640	0.5
137.71446	0.3
139.03880	7.6
153.00691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03933	0.4
55.05495	0.5
58.50512	0.3
64.33965	0.3
67.05489	10.6
69.03406	0.4
69.07077	0.3
76.56855	0.4
79.05479	1.2
79.26782	0.4
80.67590	0.3
81.07032	3.1
91.05459	4.4
93.07008	1.4
95.04947	1.5
95.08580	3.2
103.05480	0.4
104.06243	0.3
107.04936	7.6
107.08598	0.4
109.10139	19.1
111.91022	0.3
117.06995	0.6
119.08549	8.4
121.06474	4.6
122.07262	48.9
135.08054	2.5
137.05981	1.5
137.09593	100.0
150.23926	0.3
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	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01859	1.8
55.05489	5.7
65.03915	1.0
67.05141	1.7
67.05490	41.3
67.09216	0.9
69.03406	1.6
69.07044	1.0
69.72232	0.7
79.05461	4.6
79.75844	0.9
81.03391	1.7
81.07034	18.6
83.04964	1.6
91.05453	19.4
93.07021	6.8
94.04185	7.6
94.07811	1.0
95.04955	14.7
95.07535	0.7
95.08570	10.2
104.61036	0.7
107.04932	10.8
107.08565	4.6
108.05732	3.0
109.06499	40.9
109.10139	46.1
112.09651	0.8
115.20316	0.8
117.06975	1.6
119.06024	1.4
119.08552	13.3
121.06448	3.1
122.03629	14.0
122.06374	1.7
122.07262	40.6
135.08063	0.8
137.05949	81.0
137.09586	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03924	1.2
55.01854	1.5
55.05497	5.7
59.85085	0.7
62.25165	0.7
65.03914	1.9
67.05492	41.4
69.03414	1.9
69.07056	1.8
76.64840	0.7
77.69173	0.7
79.05460	4.4
81.03411	1.8
81.07041	15.6
83.04960	1.4
91.05465	18.0
92.09033	5.2
93.07031	5.6
93.63200	0.8
94.04161	1.2
95.04939	11.3
95.08583	7.8
107.04948	8.5
107.08585	4.1
108.05734	1.5
109.06504	40.3
109.10141	39.1
109.10854	1.8
113.98799	0.8
117.07005	1.2
119.06022	1.4
119.08564	10.9
121.06482	4.8
122.03663	1.1
122.07267	36.6
123.71716	0.8
131.02710	0.8
135.08002	1.4
135.67557	1.0
137.05940	6.6
137.09595	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
58.01432	0.7
66.24881	0.9
69.44935	0.9
81.07028	1.1
94.04134	6.2
95.04938	1.7
109.06574	0.9
110.02251	0.8
122.03633	8.1
137.05959	100.0
138.06343	0.9
149.45305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.70239	0.8
56.68439	0.9
56.96007	1.1
94.07757	1.1
102.93731	1.1
116.15457	1.1
137.05956	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03940	0.4
55.18097	0.3
55.26433	0.3
60.03252	0.3
60.42329	0.3
64.24709	0.4
66.04720	0.9
71.52425	0.4
77.03925	0.4
79.05480	3.0
81.07049	0.7
91.05451	2.1
94.04167	19.5
95.04945	0.8
107.04948	0.9
122.03625	42.1
137.05956	100.0
138.06305	0.6
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
53.03930	0.5
57.07072	0.5
66.04710	1.5
67.05495	3.4
69.07053	0.5
73.39075	0.4
79.05459	2.6
81.07037	4.8
87.09011	0.3
91.05477	2.8
92.08614	0.7
93.07036	0.7
94.04166	16.4
95.04932	1.8
95.08582	5.3
99.37361	0.3
107.04934	1.7
109.10133	1.8
110.61247	0.3
122.03628	34.7
122.07268	2.2
137.05960	100.0
137.09558	6.0
137.13222	0.6
138.06352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31108	0.2
51.92200	0.2
57.60321	0.2
63.81291	0.2
71.04966	0.4
75.47389	0.2
91.05459	0.2
92.02451	0.2
94.04032	1.6
100.00111	0.2
100.02446	0.5
103.13119	0.2
118.01059	0.5
119.01922	0.4
119.03518	5.5
136.06165	100.0
137.04555	4.3
141.02675	0.5
152.31499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
50.34208	0.1
64.33440	0.1
67.02956	0.2
74.24071	0.1
74.57393	0.1
85.37243	0.1
92.02460	0.2
92.08922	0.5
94.04031	2.2
109.05092	0.2
112.05063	0.1
119.02666	0.2
119.03528	6.5
120.82619	0.1
136.06163	100.0
137.04572	4.4
150.55956	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40958	0.4
54.81614	0.6
67.57928	0.4
77.00539	0.4
92.63807	0.5
94.04057	0.8
104.22774	0.4
119.03513	5.6
136.02139	2.9
136.06160	100.0
137.04538	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03923	1.6
55.05499	7.4
56.99988	1.6
67.05502	1.6
79.05492	14.7
79.05840	1.5
81.07040	1.9
90.22120	1.7
91.05451	38.8
93.07025	53.7
95.04932	4.4
98.53545	1.8
102.85785	1.8
105.06998	18.5
107.08574	100.0
107.09295	3.2
109.06475	2.7
111.11856	1.9
117.06992	3.0
119.06062	2.8
119.08549	23.2
120.09340	7.6
135.08008	10.5
135.11673	74.8
136.02147	2.4
143.51308	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.2
55.05504	7.4
55.42162	1.5
66.99969	1.4
67.05495	2.3
69.07057	2.0
77.57684	1.5
79.05488	14.0
85.30972	1.6
91.05456	36.0
93.06427	1.8
93.07027	50.6
95.04932	2.5
97.90025	1.4
99.09249	1.5
105.04486	1.5
105.07021	16.1
107.04912	1.4
107.08582	100.0
109.06511	6.9
119.06046	1.7
119.08537	14.8
120.09322	8.0
135.04427	2.7
135.08028	2.1
135.10658	2.5
135.11679	75.6
136.02118	7.0
136.06161	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	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96279	0.7
56.96560	22.3
57.03428	0.6
57.95571	0.3
63.17372	0.3
64.06594	0.4
66.20230	0.4
68.36420	0.3
71.95242	2.4
79.34588	0.3
83.38138	0.4
89.51524	1.0
98.97564	100.0
100.02441	0.7
101.02516	0.4
116.98599	90.7
119.01894	0.4
120.01945	0.9
121.01592	2.0
126.99026	0.7
134.99635	63.4
138.49831	0.9
140.00230	0.6
143.03586	0.5
153.00685	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94627	1.2
53.03925	3.0
55.01870	1.4
55.05501	7.9
58.93571	1.1
69.07061	1.4
79.05482	18.4
86.20449	1.1
90.62835	1.1
91.05471	36.7
93.07025	52.9
95.04943	10.2
97.30363	1.3
99.69934	1.3
103.52917	1.3
105.07018	22.1
107.08579	100.0
109.06519	8.6
119.06044	2.6
119.08578	10.4
120.09306	5.0
135.08032	8.3
135.11661	53.6
136.02213	1.6
154.28552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.94627	1.2
53.03925	3.0
55.01870	1.4
55.05501	7.9
58.93571	1.1
69.07061	1.4
79.05482	18.4
86.20449	1.1
90.62835	1.1
91.05471	36.7
93.07025	52.9
95.04943	10.2
97.30363	1.3
99.69934	1.3
103.52917	1.3
105.07018	22.1
107.08579	100.0
109.06519	8.6
119.06044	2.6
119.08578	10.4
120.09306	5.0
135.08032	8.3
135.11661	53.6
136.02213	1.6
154.28552	1.3
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
51.61292	0.3
55.05500	0.6
67.11628	0.4
79.05465	3.2
82.12051	0.4
84.41158	0.3
90.10117	0.3
91.05461	9.6
93.07011	2.2
95.04967	0.4
98.45930	0.4
103.05453	1.5
105.07017	26.3
108.76373	0.4
108.84346	0.3
114.44923	0.4
115.05429	2.7
116.06161	0.4
117.07005	3.5
118.07795	4.6
131.08540	3.8
133.10110	100.0
134.10413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.06
Annotation	Indolin-2-one
Peak:m/z	Relative Intensity
56.96549	0.6
65.03917	3.3
79.05463	2.0
89.03896	0.8
91.05457	77.9
92.05791	0.7
93.06138	0.4
98.97532	0.6
106.04152	1.8
106.06532	39.1
107.04930	3.9
109.06498	20.8
114.36302	0.5
116.04949	0.8
119.06036	8.9
124.05176	2.8
134.05984	100.0
134.99623	0.4
135.04358	1.0
135.06332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23671	3.2
53.03939	3.6
54.81665	4.0
55.05502	3.9
57.03431	96.8
59.04983	9.2
60.20776	3.4
66.86941	3.9
69.03413	100.0
69.07045	23.1
70.72606	3.6
72.61746	3.3
73.06560	3.4
74.92525	3.2
75.04449	19.7
83.68900	3.2
85.02895	65.2
87.04453	17.8
88.02188	34.9
89.00216	9.3
91.05470	6.2
97.02876	8.9
98.00723	9.1
99.00559	3.8
103.59069	4.5
105.06999	57.9
133.06465	26.2
133.07484	4.6
133.10117	33.2
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
53.03924	0.3
55.05490	1.2
64.33601	0.3
65.64040	0.2
66.65565	0.3
70.99274	0.2
74.54720	0.2
79.05485	2.6
91.05457	8.8
92.64156	0.3
93.07014	2.3
95.04938	0.4
98.53831	0.3
100.13589	0.3
103.05461	1.5
105.07011	27.4
107.08569	0.5
110.47012	0.2
115.05427	2.8
116.06181	0.3
117.07004	2.3
118.07794	3.7
131.08543	3.7
133.10103	100.0
134.10440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34446	13.4
57.03419	53.2
63.30468	12.4
69.03407	69.4
75.38190	11.5
79.05506	13.3
84.68452	11.0
85.02895	18.8
87.10615	13.6
88.02181	13.9
90.19308	11.5
105.07006	100.0
133.06468	21.6
133.10110	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	133.049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23671	3.2
53.03939	3.6
54.81665	4.0
55.05502	3.9
57.03431	96.8
59.04983	9.2
60.20776	3.4
66.86941	3.9
69.03413	100.0
69.07045	23.1
70.72606	3.6
72.61746	3.3
73.06560	3.4
74.92525	3.2
75.04449	19.7
83.68900	3.2
85.02895	65.2
87.04453	17.8
88.02188	34.9
89.00216	9.3
91.05470	6.2
97.02876	8.9
98.00723	9.1
99.00559	3.8
103.59069	4.5
105.06999	57.9
133.06465	26.2
133.07484	4.6
133.10117	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
51.84081	0.4
52.98699	0.4
53.03944	5.2
54.81809	0.5
54.82169	0.5
55.01863	1.0
55.05502	1.3
57.07067	17.4
59.53144	0.5
65.03952	1.2
65.26998	0.6
66.04707	1.0
67.05492	0.6
67.93548	1.4
69.03420	3.9
71.04980	3.4
75.27083	0.5
78.52563	0.6
79.05479	40.4
81.03412	3.7
81.07043	100.0
82.07407	0.6
83.02216	0.6
83.14768	0.5
84.08151	1.3
85.06532	56.5
92.08839	2.6
95.04937	0.7
99.04452	0.6
99.08073	1.2
106.85156	0.6
109.02866	3.9
109.06510	20.0
110.84914	0.6
127.03925	6.8
127.04793	0.8
127.07540	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	129.0547
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
55.01851	4.6
55.05304	2.3
55.05507	38.2
55.93514	2.9
56.96549	2.6
57.03428	100.0
57.77740	2.1
59.04963	3.4
68.99796	2.3
69.03423	13.6
69.07049	5.9
70.23846	2.3
71.04967	4.6
72.08132	3.4
77.11517	2.5
83.04961	49.3
83.08585	2.9
84.04459	9.6
84.08137	4.3
85.02882	3.9
101.05980	33.4
111.04426	26.9
112.07597	6.9
112.11228	4.7
129.05447	96.7
130.06526	3.3
146.96121	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	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
50.48324	0.4
53.00321	0.4
57.07069	31.4
61.61138	0.4
69.03428	0.6
70.07391	0.4
70.18549	0.4
72.09742	0.4
74.09701	22.7
81.59921	0.4
84.04497	5.7
84.08123	0.9
87.00449	1.0
112.07607	2.1
113.96362	0.7
115.11819	0.5
130.06506	1.9
130.08630	1.9
130.15898	100.0
131.16196	0.7
135.19150	0.5
149.64735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.70853	0.1
54.81730	0.1
57.05791	0.1
58.06588	0.4
60.18278	0.1
65.65556	0.1
69.07053	13.1
70.39629	0.1
73.06519	0.2
74.31251	0.1
75.58828	0.1
75.61586	0.2
76.56230	0.1
81.04516	0.2
82.39986	0.1
82.73015	0.2
86.09689	100.0
87.10029	0.2
92.08752	0.2
92.09234	0.2
97.98289	0.1
112.02187	0.4
113.02990	0.2
114.05522	0.2
123.07915	0.9
132.10196	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	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15215	1.8
54.16270	2.1
55.05520	16.8
55.05735	2.0
59.91024	2.2
60.95845	16.6
66.11747	2.2
69.03431	3.0
69.07062	3.8
78.51237	3.6
79.05466	24.1
80.04475	2.2
81.01485	3.9
81.07076	19.5
83.04969	58.5
83.08612	11.1
84.98019	2.1
88.19578	2.0
90.02009	10.6
91.05480	19.5
97.13487	2.7
105.06998	13.1
107.07864	3.7
107.08591	100.0
109.06497	11.0
125.07098	5.2
125.09618	58.2
138.03056	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	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00311	1.6
53.03939	31.2
55.01861	13.3
57.03431	4.0
58.06586	5.7
64.72196	1.0
67.01878	1.4
69.03413	85.7
70.90971	1.0
71.01338	1.2
71.04971	9.0
79.05460	1.6
81.03399	87.2
81.04494	16.0
81.07030	6.5
83.01313	1.9
84.08125	39.4
85.02908	4.6
85.06513	1.9
92.09094	2.3
95.01279	1.4
95.04957	7.1
97.02851	8.0
98.03654	1.4
99.04431	13.0
109.02861	100.0
109.06462	1.2
127.03894	39.3
127.05000	4.6
127.07568	4.1
127.12287	1.3
143.96371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00280	0.7
53.03939	26.9
54.62275	0.5
54.82043	0.6
55.01653	0.5
55.01866	7.9
55.05498	1.0
57.03421	6.0
58.06581	4.2
59.04984	4.9
63.83509	0.6
65.03910	3.3
66.50784	0.6
67.05491	6.3
67.63728	0.6
69.03416	37.7
71.01346	2.9
71.04977	11.6
79.05474	0.7
80.11370	0.6
81.03398	100.0
81.07034	3.1
82.04194	1.1
83.01344	0.7
83.04973	1.3
84.08128	25.2
85.02885	7.3
86.06080	0.7
95.01312	2.6
95.04325	0.8
95.04947	30.6
97.02876	9.8
97.06503	4.8
99.04428	11.9
109.02862	50.2
109.06499	1.0
109.07639	3.4
112.05231	1.2
122.57304	0.7
127.03896	32.3
127.04878	1.1
127.07574	12.6
127.08510	1.1
127.12286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.00294	1.1
54.27024	1.0
55.05511	14.0
60.95826	1.9
67.05485	1.7
69.03413	6.3
69.07053	1.9
71.04987	1.3
78.51230	1.3
79.05482	25.7
81.01469	2.0
81.07048	17.7
83.04974	52.8
83.08607	7.2
90.02000	5.4
91.05471	20.2
95.02112	1.1
97.06510	2.2
105.07043	9.0
107.08585	100.0
109.06488	7.3
119.06040	2.1
125.07099	2.7
125.09613	52.0
125.10542	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66140	0.4
74.91830	0.4
78.42790	0.5
80.69247	0.4
82.99808	0.8
83.01479	0.5
83.62232	0.4
92.08998	1.0
92.63865	0.4
100.02464	1.0
101.00863	19.9
101.01517	1.0
101.02525	5.3
102.58465	0.4
118.03489	0.6
118.88384	0.4
119.01898	100.0
119.03600	3.5
119.66283	0.5
120.02016	0.6
137.02933	41.8
142.03490	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.63805	0.9
53.03936	2.8
54.81481	1.1
67.47086	1.0
79.05472	17.3
79.09518	1.2
91.05445	8.4
92.08661	6.5
93.07027	16.6
95.04951	5.6
103.05450	10.7
105.07017	75.7
106.07810	5.6
107.04957	10.5
107.07321	5.1
119.08540	12.2
121.06498	18.8
121.10127	100.0
122.07275	5.3
122.09658	6.6
123.08069	14.0
133.07613	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29477	1.5
56.52415	1.5
56.96553	7.8
57.03437	2.0
58.99855	2.4
62.85759	2.0
62.96771	1.6
63.66415	1.5
74.59798	1.5
79.01836	2.3
81.03408	1.7
82.01440	19.4
84.17418	1.8
88.02370	9.6
100.02459	100.0
118.03495	64.4
119.01896	9.1
137.03000	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	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02370	0.3
51.37117	0.2
51.67339	0.2
53.03716	0.3
53.03942	5.1
55.01872	0.3
56.96560	25.3
58.50527	1.8
65.03934	0.3
67.05489	2.4
67.51054	5.5
70.01311	1.3
74.97542	0.2
76.51573	6.7
77.03921	1.2
79.01835	22.2
79.05477	0.8
79.52000	1.3
80.05011	0.8
81.03408	0.4
81.07041	1.5
85.52087	0.4
88.02359	39.8
88.52557	2.1
89.02592	0.2
90.52630	0.4
95.04951	100.0
95.08585	0.4
96.04494	0.2
96.05276	0.3
97.02878	3.8
97.53028	0.3
99.53157	1.1
100.02456	1.9
102.53236	0.2
105.04500	3.9
106.07347	0.9
107.07320	0.3
108.07669	1.3
116.74207	0.2
118.03522	1.4
122.09647	0.4
123.04415	34.5
123.05508	4.2
123.08021	0.9
123.09988	3.1
123.11607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03937	1.1
53.20193	0.8
61.70687	0.9
61.90268	0.9
65.03934	0.9
67.36848	0.8
79.05457	3.9
91.04887	1.9
91.05460	58.1
93.07005	1.7
95.04985	1.1
96.63810	1.1
103.05450	5.9
104.06226	6.0
109.06504	1.4
112.72188	0.9
115.05432	2.2
117.06997	29.2
119.06033	4.5
119.08558	100.0
131.82126	1.2
133.88698	1.0
134.80728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
61.56869	0.6
73.89676	0.6
75.03233	0.6
79.05478	0.8
81.91476	0.6
85.29333	0.7
86.91065	0.6
91.05446	3.2
92.08920	2.8
93.07016	10.1
94.06529	0.9
95.04903	0.8
103.05445	42.4
111.27827	0.7
120.08073	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	121.065
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
51.02369	0.4
51.81262	0.3
53.03938	6.1
54.81462	0.5
55.01862	1.8
56.96548	1.0
61.86501	0.4
62.92975	0.7
65.03925	3.4
66.38428	0.4
69.92960	0.4
79.05476	0.7
80.70983	0.4
81.03391	0.6
91.05460	28.3
93.03386	0.5
93.07022	36.3
95.04945	16.9
98.97586	0.5
102.04711	0.6
102.96828	0.4
103.05450	34.5
105.04492	3.0
105.07021	2.4
111.04416	0.5
120.97893	0.6
121.02886	6.1
121.03982	2.3
121.06484	100.0
121.10134	1.9
121.96596	0.7
122.09608	0.6
138.98940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88277	1.1
57.54315	1.0
59.99938	1.8
63.00274	1.1
64.66499	1.0
68.95258	1.5
87.53489	1.1
92.08647	1.2
92.09168	2.0
95.37869	1.1
100.02460	2.0
101.00867	15.1
101.02537	9.6
103.34722	1.1
118.03476	1.1
119.01897	100.0
119.03619	9.5
133.16182	1.3
137.02937	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03925	1.1
55.61787	0.5
60.04506	0.9
65.03922	1.3
65.34093	0.5
67.62680	0.6
79.05466	3.7
82.77821	0.6
87.17065	0.7
91.05456	50.0
92.64127	0.8
93.07011	2.6
93.31310	0.6
95.04919	2.2
96.05315	0.8
103.05440	5.4
104.06210	5.2
115.05409	2.5
117.06981	12.2
119.04864	0.8
119.06060	3.6
119.08552	100.0
120.08861	0.7
135.99742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1184.6723
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04969	2.5
83.08615	0.4
85.02857	0.7
85.06528	21.0
87.04453	3.9
91.05461	5.9
93.07025	5.2
95.04944	32.3
95.08580	3.8
97.06491	0.4
97.10153	0.3
99.08065	0.4
101.06003	1.9
102.52622	0.2
103.05455	0.2
105.07014	7.0
107.04956	0.9
107.08574	6.7
109.02826	0.3
109.06519	1.3
109.10148	2.1
111.04420	0.3
111.08059	0.2
113.05988	100.0
114.06332	0.3
115.05447	0.3
117.06986	3.1
119.08565	4.9
121.06448	1.7
121.10107	2.5
123.04388	1.1
123.08030	0.8
125.05973	1.2
127.07514	1.0
128.06184	1.7
128.33224	0.2
129.06975	3.4
130.07768	0.4
131.08534	6.1
133.06485	0.8
133.10109	4.2
135.04446	0.3
135.08035	0.9
135.11644	1.8
137.05956	1.0
137.09558	0.4
139.07526	0.7
141.05444	0.7
141.06975	2.4
142.07756	1.3
143.08542	6.8
145.06526	0.9
145.08585	18.7
145.10101	5.7
147.08023	1.4
147.11659	3.5
149.05948	0.4
149.09587	0.3
149.13231	0.8
151.07497	0.3
151.11197	0.2
153.05457	0.9
153.06964	0.7
154.07756	0.7
155.08522	4.5
156.09296	0.8
157.06470	0.5
157.10094	5.2
159.08025	1.9
159.11658	6.2
161.09593	1.2
161.13200	2.8
163.07520	0.8
163.11133	0.4
165.05711	0.2
165.06972	1.2
166.07724	0.7
167.08524	2.5
168.09315	0.8
169.06380	0.2
169.10078	4.9
170.10919	0.2
171.08018	1.6
171.11649	3.1
173.05937	0.3
173.09631	1.3
173.13217	1.9
175.07494	3.0
175.11188	0.4
175.14787	0.8
177.09105	0.4
178.07748	0.2
179.08505	2.2
180.09332	0.5
181.10056	4.4
182.10854	0.8
183.08038	0.8
183.11661	4.3
184.08826	0.2
184.33664	0.2
185.09608	1.1
185.13208	2.9
187.07526	0.9
187.11176	1.2
187.14827	1.4
189.09082	2.0
191.08704	0.3
191.10605	0.4
192.09320	0.3
193.10091	2.5
194.10844	0.8
195.08008	0.8
195.11668	3.2
197.09575	2.5
197.11450	0.4
197.13182	3.4
199.07521	0.3
199.11192	1.2
199.14792	2.4
201.09074	1.2
201.12730	0.8
201.16367	1.2
203.10687	1.1
203.14301	0.3
205.10074	0.8
205.11975	0.2
206.10963	0.4
207.08055	0.3
207.11717	2.1
208.12347	0.2
209.09671	1.7
209.13202	2.3
211.11171	2.1
211.14807	2.1
213.09181	1.1
213.12761	1.1
213.16389	1.1
215.10619	2.0
215.14261	0.4
215.17929	1.0
217.10155	0.4
217.12251	1.2
217.15825	0.3
218.10828	0.3
219.11662	1.3
219.13716	0.4
220.12386	0.3
221.09653	0.8
221.13255	2.2
223.11136	1.1
223.14787	1.4
225.09152	2.4
225.12653	1.5
225.16359	0.9
227.10632	3.6
227.14264	0.7
229.12170	3.7
229.15842	0.6
231.11610	0.7
231.13800	1.3
232.12357	0.3
233.13347	1.5
235.11096	0.8
235.14809	2.0
237.09053	0.2
237.12711	0.9
237.16382	0.4
239.10658	1.1
239.14261	0.8
241.08609	0.3
241.12148	2.5
243.10075	1.2
243.13756	4.5
245.13232	0.9
245.15450	0.3
246.16333	0.3
247.14827	0.8
249.12650	0.4
249.16431	1.5
251.10675	0.4
251.14236	0.3
251.17950	0.4
253.12151	0.4
253.15900	0.4
253.19476	0.8
255.13791	1.7
257.15399	0.5
258.14163	0.2
259.11179	0.2
261.14862	1.1
263.10568	0.2
263.14136	0.6
263.17905	1.1
265.12106	0.4
265.15860	0.7
265.19397	0.3
267.13708	0.4
267.17343	0.9
269.15311	0.4
271.16925	0.9
273.16357	0.7
275.14285	0.3
277.12357	0.3
277.16147	0.4
277.19437	1.8
279.13760	0.2
279.17471	0.3
281.15320	1.4
281.18692	0.4
285.18582	0.4
287.17853	1.5
289.19330	0.4
291.14206	0.3
291.17398	1.7
291.21033	2.4
293.15335	0.8
293.19070	0.2
293.22311	0.2
295.16934	0.7
295.20383	0.4
299.16550	0.2
305.15533	0.3
305.18915	4.0
307.16907	0.9
307.20502	1.0
309.15121	0.4
309.18411	2.7
309.22073	1.0
315.17441	1.3
319.20447	1.9
321.18759	0.3
323.19986	4.4
325.21600	0.3
327.19638	0.3
327.23087	0.3
333.18384	8.3
337.21552	18.0
341.21005	0.8
351.19482	22.1
352.19540	0.3
355.22610	26.4
369.20532	31.5
370.20938	0.9
373.23645	28.1
374.24088	0.4
387.21573	20.4
388.22293	0.3
393.20462	0.4
411.21622	3.3
415.24911	1.1
421.66367	0.2
422.20178	0.2
429.22614	8.7
429.28366	0.3
433.25812	5.4
447.23682	33.4
448.24133	0.4
499.30438	8.7
513.28766	0.4
517.31506	31.8
518.31573	0.3
577.33606	3.3
581.92249	0.2
840.87451	0.2
993.74347	0.2
1034.80652	0.2
1139.79126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
55.05506	10.8
56.05027	0.2
57.03450	0.2
57.05803	0.3
58.06589	10.1
58.21077	0.2
59.07371	16.7
72.08138	66.5
73.08463	0.2
76.07636	0.2
79.01852	0.2
87.04438	0.3
88.02353	0.5
96.22140	0.2
97.73228	0.2
118.08634	100.0
119.08987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04967	0.2
85.02892	5.9
87.04445	0.2
91.03917	0.1
92.08799	0.2
92.09353	0.1
95.04897	0.1
97.02883	0.9
99.04423	0.2
103.03922	0.0
103.05404	0.0
105.03354	0.1
107.04925	0.2
109.02866	0.4
111.00787	0.5
111.04427	0.2
118.00095	0.0
121.02840	1.5
127.03889	0.6
128.06197	0.1
129.05466	0.9
129.07008	0.1
133.02785	0.3
133.06453	0.0
135.04382	0.1
137.02328	0.4
141.06955	0.1
145.04962	0.3
145.06487	0.1
147.04393	0.4
147.06523	0.2
151.03857	0.1
153.01814	2.4
157.06511	0.3
160.80847	0.0
161.05923	0.1
165.00488	0.1
165.01810	1.2
167.07057	0.0
171.02960	0.1
171.04385	0.2
173.05878	0.0
177.05476	0.1
183.02850	0.6
185.05977	0.3
189.05518	0.1
189.08995	0.0
197.05940	0.1
199.03893	0.1
203.06958	0.1
213.05438	0.8
225.39932	0.0
231.06500	0.6
241.04886	0.7
242.05551	0.0
243.06549	0.1
249.11160	0.9
258.05179	0.9
259.05997	0.4
263.40137	0.0
269.04324	0.2
287.05457	100.0
288.05801	1.4
299.05707	0.0
329.06470	0.1
433.11270	0.1
449.10709	3.5
595.16400	0.1
1121.91077	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	1175.651
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07052	0.1
85.06522	0.6
86.06873	0.1
87.04449	0.1
91.05492	0.1
92.09215	0.3
93.07028	0.1
94.07430	0.1
95.04941	1.0
95.08609	0.1
96.05286	0.3
98.97568	0.1
105.07018	0.3
106.07365	0.1
107.08598	0.1
109.10169	0.1
113.05985	3.3
114.06319	0.9
115.06480	0.1
116.98601	0.1
117.06973	0.1
119.08550	0.1
120.97944	0.1
124.06499	0.1
131.08572	0.2
133.10132	0.1
134.99664	0.1
139.98126	0.1
143.08569	0.1
145.08612	0.7
145.10185	0.1
146.08894	0.1
149.09677	0.1
155.08563	0.1
159.11684	0.1
161.13297	0.1
167.06792	0.3
183.11557	0.1
185.13138	0.1
186.13574	0.1
208.10338	0.1
230.72655	0.1
256.14212	0.1
291.21176	0.1
337.21341	0.5
338.21915	0.7
339.22241	0.4
340.22784	0.1
355.22601	0.6
356.22986	0.6
357.23050	0.4
358.23752	0.1
373.23758	0.8
374.23984	0.9
375.24414	0.8
376.24567	0.3
433.25867	0.3
434.26282	0.6
435.26538	0.4
436.26764	0.1
437.26840	0.1
455.23843	1.5
473.25168	0.1
496.27151	0.1
539.29852	0.7
596.80988	0.1
597.81537	0.1
599.31775	100.0
600.32098	3.0
601.32361	0.3
885.48676	0.1
886.47595	0.1
1049.54285	0.1
1050.51941	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	1164.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03391	0.3
81.07038	9.7
83.04965	5.1
83.08604	4.1
85.02879	3.7
85.06532	2.5
87.04442	1.0
87.08098	0.5
91.05440	2.6
93.07016	7.0
95.04945	1.2
95.08582	23.6
97.02869	2.3
97.06503	0.5
97.10132	1.4
99.08059	2.4
102.39665	0.3
105.07012	5.5
107.08578	16.9
109.02827	0.3
109.06499	6.5
109.10142	84.1
110.10471	0.3
111.08070	2.8
113.05997	0.2
113.09641	1.9
115.03916	1.2
117.07008	0.5
119.08559	32.5
120.08826	0.3
121.06407	0.3
121.10123	11.3
123.08047	10.4
123.11684	7.3
125.09624	1.2
127.03897	0.5
127.11157	0.9
129.07005	0.2
131.08527	1.3
133.04929	1.2
133.10107	22.5
134.10446	0.9
135.11670	95.2
136.12033	0.9
137.06078	0.3
137.09598	16.9
138.09944	0.4
139.11121	1.9
141.09064	0.3
143.08560	0.5
145.04980	0.3
145.10083	1.5
147.11691	1.2
147.57063	0.2
149.13223	6.6
151.11168	6.8
151.14790	12.8
151.16032	0.5
153.12729	3.2
155.10608	0.3
157.10138	1.6
159.11633	1.4
160.12424	0.2
161.13258	0.3
165.16376	3.0
169.10114	0.5
171.11624	0.4
173.13223	1.2
174.13559	0.3
174.15065	0.2
175.14786	44.7
176.15149	0.4
177.05513	0.4
177.12584	0.3
183.11682	0.8
185.13197	0.3
191.14299	2.0
192.14662	0.4
193.15849	61.3
194.16151	0.4
195.11662	0.5
197.13232	0.5
201.16373	1.1
209.13414	0.5
209.15329	1.7
210.15724	0.5
211.16901	100.0
212.17236	1.0
221.13278	0.3
225.16364	0.5
237.16373	0.4
251.17891	0.4
252.18532	0.3
253.19482	1.1
277.19540	0.4
295.10092	0.3
295.20517	11.8
313.21533	7.7
326.61124	0.3
331.22577	2.2
349.23611	0.9
373.22134	66.5
374.22418	0.9
416.57571	0.2
475.26648	0.4
493.27637	0.5
505.26306	1.1
607.31750	0.3
625.31940	0.3
725.20715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	3.9
53.03935	0.8
55.01867	6.1
55.05503	14.3
56.96549	4.5
57.03423	10.1
57.07069	1.0
58.68217	0.6
59.04978	3.5
67.05478	1.4
69.03412	76.0
69.07050	100.0
70.06557	0.9
71.01326	5.0
71.02969	13.4
71.53008	1.4
72.02837	2.9
73.02879	1.3
73.06535	62.0
74.93801	0.8
76.56718	0.9
80.03476	10.2
81.03349	1.2
82.53755	1.9
83.01319	3.4
83.03820	1.0
85.02886	48.6
87.04456	3.7
91.48146	1.1
91.54321	0.7
97.02868	59.1
97.06508	14.0
115.03896	20.3
115.07532	9.9
115.09485	1.5
115.12312	1.1
116.94210	0.8
118.03491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0756
Annotation	delta-Hexalactone
Peak:m/z	Relative Intensity
51.10498	0.1
53.00305	0.6
55.01859	0.8
55.05503	4.4
56.96551	0.3
67.05492	0.9
68.71924	0.2
69.03419	0.9
69.07052	100.0
69.69832	0.1
70.07383	0.3
71.02972	2.1
71.53063	0.2
73.06535	18.8
79.05509	0.2
80.03491	1.4
80.53561	0.2
81.03354	0.3
82.53774	0.2
85.02872	0.2
97.02890	0.7
97.06505	25.8
110.38456	0.1
110.41076	0.1
115.07542	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	1164.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07039	10.0
83.04967	5.7
83.08601	4.4
85.02896	3.3
85.06524	2.6
87.04434	1.2
87.08084	0.3
91.05462	2.6
92.08826	2.7
92.09448	0.5
93.07020	6.4
95.04943	1.3
95.08583	23.6
97.02861	2.3
97.06512	0.4
97.10138	1.2
99.07471	0.2
99.08074	2.3
105.07021	5.4
107.04868	0.3
107.08583	17.2
109.02887	0.3
109.06516	6.3
109.10145	82.1
110.10479	0.4
110.11724	0.2
111.08061	2.4
113.09633	1.2
115.03905	1.6
117.07020	0.3
119.08563	32.9
121.10125	11.4
123.08047	10.9
123.11684	7.6
124.62182	0.3
125.09594	1.1
127.03893	0.5
127.11139	0.6
131.08534	1.2
133.04955	1.1
133.10106	25.0
133.51480	0.2
134.10440	1.2
135.11674	96.3
136.11972	1.0
137.09599	18.3
137.13190	0.2
138.09889	0.3
139.11151	2.1
140.10080	0.3
143.08527	0.3
145.04935	0.2
145.10097	1.4
147.11668	1.4
149.13235	6.8
151.11171	7.7
151.13635	0.5
151.14803	12.0
153.12724	3.4
153.90544	0.3
157.10117	1.3
159.11664	1.1
160.12477	0.3
161.13237	0.4
165.09044	0.3
165.12724	0.3
165.16376	3.5
171.11597	0.5
173.13264	1.1
175.14793	45.5
176.15160	0.6
181.10262	0.3
183.11761	0.5
183.91772	0.3
191.14262	1.9
192.14539	0.4
193.15854	63.1
194.16255	0.6
195.11638	0.4
201.16338	1.2
209.13419	0.3
209.15363	1.3
210.13931	0.3
210.15739	0.3
211.16904	100.0
212.17247	1.2
221.61873	0.3
225.16307	0.5
233.92690	0.2
235.14766	0.4
236.71417	0.3
237.16284	1.0
251.17851	0.3
253.19487	0.5
295.20532	12.7
313.21539	6.4
331.22614	2.5
373.22141	64.6
374.22433	1.2
475.26620	1.2
493.27765	0.5
505.25928	1.3
597.74640	0.3
625.32019	0.3
706.69629	0.3
847.31281	0.3
1141.79431	0.3
1200.17200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00307	3.7
53.03944	1.6
55.01865	5.8
55.05494	0.9
56.96558	2.3
57.03432	13.4
59.04992	5.1
69.03415	100.0
69.07052	13.7
70.06595	1.1
71.01347	7.0
71.02965	5.0
71.52982	1.2
73.02904	3.7
73.06523	3.9
74.93800	0.9
78.95465	0.9
80.03474	3.6
83.01325	2.3
84.57964	0.9
85.02888	71.0
87.04451	5.9
97.02867	57.7
97.06502	7.3
108.11877	0.9
115.03905	26.4
115.07541	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	1142.6611
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	1.9
81.03390	0.5
81.07036	1.8
81.11098	0.3
82.48392	0.3
83.04953	2.6
83.08596	0.3
85.02878	0.3
85.06529	11.9
87.04448	7.5
91.05459	2.2
93.07040	2.6
95.04946	47.2
95.08562	2.5
97.06489	0.5
99.08045	0.5
101.05975	2.6
105.07017	3.1
107.08572	1.9
109.06489	2.6
109.10151	0.7
111.08058	0.3
113.05988	100.0
114.06370	0.6
117.07007	0.7
119.04939	0.4
119.08554	2.5
121.06474	1.4
121.10136	0.7
123.04396	0.3
125.05949	0.5
127.07530	6.9
128.06241	0.4
129.06993	2.0
131.08530	2.7
133.06435	0.4
133.10114	1.4
135.08037	0.5
141.06969	0.6
142.07692	0.6
143.08560	3.8
145.02850	0.6
145.08578	45.7
145.10057	3.0
147.08015	0.7
147.11682	1.8
149.05899	0.7
149.09557	0.4
154.07840	0.5
155.08548	1.7
156.09369	0.3
157.10101	2.7
159.07968	0.7
159.11671	2.5
161.09526	0.3
161.13289	0.6
163.11183	0.6
166.07730	0.3
167.08533	0.4
168.09389	0.5
169.10060	2.5
171.08012	0.6
171.11636	1.9
173.09569	0.5
173.13254	0.7
175.11124	0.4
177.05450	1.7
179.08466	0.7
180.09332	0.5
181.10106	2.5
182.10994	0.3
183.07994	0.4
183.11647	2.1
185.09688	0.6
185.13257	1.7
187.07584	0.6
187.11201	0.7
189.06158	0.4
193.10123	2.0
195.11674	1.9
197.09576	2.8
197.13211	0.7
199.11093	1.3
199.14709	0.5
201.09172	0.4
205.10103	0.6
207.11685	1.5
209.09622	0.6
209.13202	1.5
211.11186	1.3
211.14857	0.7
212.54832	0.4
213.09174	0.6
215.10661	0.7
215.17928	0.7
219.11667	0.6
221.13272	1.3
225.09157	1.6
227.10660	1.6
227.14328	0.5
229.12219	0.4
229.19452	0.5
231.11626	0.6
233.13129	0.6
235.14862	1.4
237.12718	0.5
239.10629	0.6
239.24716	0.3
243.10144	1.4
245.15454	0.4
247.14780	0.5
247.17050	0.3
249.16400	1.2
251.10619	0.5
258.13715	0.4
263.18182	0.3
267.17328	0.4
271.16962	0.5
272.15445	0.4
273.16196	0.3
277.12430	0.4
277.15863	0.4
277.19199	0.4
279.13925	0.5
281.15219	1.3
281.18869	0.4
287.17953	1.5
291.13882	0.5
291.17252	1.1
295.20541	0.5
305.15833	0.4
305.18802	2.8
307.16962	1.2
307.20428	1.2
309.18463	2.2
309.21854	0.6
315.17471	1.3
323.19901	2.8
333.18381	6.1
337.21655	2.5
341.21204	0.4
351.19455	16.1
352.19913	0.4
353.20920	0.7
355.22586	7.9
369.20529	22.5
371.22107	5.7
373.23691	9.0
387.21582	16.3
389.23386	0.5
391.24887	0.5
411.21509	3.1
429.22629	6.4
447.23688	28.4
448.24121	0.7
488.26233	0.3
499.30270	1.7
502.36707	0.4
517.31525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1132.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
78.88739	0.2
79.05468	3.7
81.03397	1.4
81.07040	3.8
83.04971	0.5
83.08602	0.3
85.02886	2.9
91.05453	3.2
93.07022	2.0
95.04947	1.1
95.08581	0.7
97.02872	1.5
97.06508	0.2
99.04431	0.2
103.05444	0.6
105.07008	3.3
107.04942	5.8
107.08574	12.6
109.02892	0.3
109.06501	5.0
109.10133	4.3
111.08028	0.2
115.03936	0.3
115.05419	2.3
116.06284	0.1
117.06995	3.8
119.04840	0.1
119.06091	0.2
119.08556	1.7
121.06460	1.1
121.09246	0.3
121.10121	8.9
122.07262	2.2
123.04381	1.9
123.08028	1.3
123.11694	0.2
124.05177	1.3
125.05946	0.3
127.03922	0.6
128.06184	0.9
129.07002	1.1
131.04932	0.3
131.08534	3.2
133.10103	100.0
134.10390	1.0
135.08028	12.6
135.11629	1.2
137.09590	56.3
138.10016	0.3
139.07483	0.2
141.06969	0.8
143.08528	0.9
144.05678	0.9
145.04839	0.3
145.06467	5.9
145.10063	0.9
147.04359	0.6
147.11673	1.7
149.05975	0.2
149.09587	0.6
149.13231	12.8
151.03868	0.2
151.11194	0.6
152.04662	0.6
153.06975	0.2
155.05981	0.7
155.07042	0.7
156.05661	2.6
157.06491	1.1
158.07187	0.3
158.10915	1.0
159.08009	2.8
160.05180	0.2
161.05923	0.9
163.03889	0.2
163.14771	2.1
165.06972	0.2
166.06201	0.2
167.06995	28.9
168.07314	0.3
169.06363	0.3
169.07632	0.2
170.07228	1.3
171.08018	1.2
172.05156	0.3
173.05940	8.3
173.13214	6.2
174.06711	0.2
175.04021	0.2
177.05455	0.6
179.06941	1.0
181.04951	0.5
181.08543	2.6
184.05185	0.8
186.06686	0.6
187.07481	3.1
188.08325	0.2
189.09102	0.2
190.06210	4.6
190.07811	0.3
191.06979	0.6
191.14268	36.7
192.14607	0.5
193.08609	1.1
198.06650	0.5
199.07497	1.8
201.09050	0.3
202.06201	1.4
202.07846	0.2
203.03415	0.2
203.06975	0.9
203.08676	0.2
203.10594	0.3
204.07806	0.3
205.06549	0.4
205.08553	9.4
207.06409	0.5
208.05176	0.2
208.08781	0.2
209.15326	39.4
210.06754	0.2
210.15610	0.3
211.07480	0.2
215.06941	1.1
216.07771	0.3
217.08560	14.8
218.07143	0.3
218.09039	0.2
219.07974	1.2
219.10097	1.4
220.08823	0.2
221.05945	0.3
221.07896	0.5
229.08559	1.2
230.07256	0.2
231.08018	0.9
231.10104	7.2
232.08916	0.2
233.09512	1.0
234.06598	0.1
235.07494	0.3
235.09532	1.8
236.08249	0.6
245.09628	0.2
246.06729	0.2
247.07416	1.6
247.09631	4.1
248.08325	1.2
249.05409	0.2
249.08902	0.3
249.11177	0.9
250.06198	0.2
250.09727	0.2
251.10739	0.2
253.08543	0.2
254.05634	0.2
258.06787	0.2
259.07507	0.3
260.08249	0.3
261.05405	0.2
261.09125	0.9
262.09714	0.6
263.06940	0.6
263.10477	1.2
264.07706	1.4
265.08398	0.5
265.10678	5.8
269.08093	1.1
271.09586	0.9
272.07715	0.1
275.06937	0.8
276.07697	0.8
277.08514	0.7
278.05579	0.3
278.09131	0.3
279.06802	0.3
279.10089	1.3
280.10867	0.2
281.08032	0.2
282.08762	0.3
289.08606	0.2
290.09396	0.6
291.10068	1.6
292.07120	0.3
292.10797	0.2
293.07996	1.5
293.11606	0.8
295.05820	0.2
295.09790	0.4
296.10339	0.2
297.61658	0.2
299.08978	0.7
305.08072	0.3
306.08688	0.2
307.06348	0.2
307.09570	1.6
308.10379	0.8
309.07605	0.1
309.11136	0.3
310.08307	0.2
311.09152	0.2
311.12378	0.4
315.08560	3.6
316.09448	0.2
318.08698	0.2
319.09521	1.0
320.10300	0.2
321.07440	0.5
321.11203	0.5
322.08328	0.4
322.11685	0.5
323.09290	0.2
323.12640	1.1
324.09885	0.2
325.10739	0.5
325.14267	0.2
330.10849	3.8
331.11835	1.0
335.09000	0.2
336.09787	0.7
337.10635	1.0
338.07809	0.5
339.08420	1.5
339.12253	1.1
340.13190	0.2
343.11584	0.7
351.12161	1.4
352.12866	0.2
353.10040	1.4
353.13797	0.5
353.19455	0.6
356.12540	0.2
367.07785	0.3
368.12451	1.7
369.13150	0.8
371.15067	0.7
371.20551	12.0
383.14810	10.9
385.16367	17.0
386.16577	0.5
401.15860	15.0
402.16092	0.3
403.17319	0.3
563.21240	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	113.0599
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00282	1.1
53.03934	1.6
53.06530	0.6
54.81769	0.6
55.01868	2.8
55.05516	6.9
57.03427	15.7
57.06843	0.7
57.07072	10.6
65.03654	0.7
65.03930	13.7
67.05492	100.0
69.03416	36.0
69.03704	0.6
69.03799	0.7
69.09004	0.7
70.02941	0.7
71.04977	33.0
77.82964	0.6
78.51165	0.7
81.03411	0.8
83.04971	14.6
85.06520	9.2
90.00084	0.7
92.08669	1.3
95.04947	30.0
97.46149	0.7
99.00638	1.2
112.96183	0.7
113.03493	1.1
113.05992	15.3
119.75634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.97954	0.5
53.00295	1.0
53.03926	1.5
55.01854	2.6
55.05512	4.4
57.03430	14.5
57.07066	11.2
65.03927	14.4
65.29229	0.6
67.05492	100.0
69.03068	1.1
69.03416	25.7
71.04975	37.3
83.04968	11.7
85.06529	13.1
90.00085	0.6
92.08640	1.8
92.81007	0.6
95.04947	35.7
113.05988	17.7
114.09132	0.7
121.03786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	Parasorbic acid
Peak:m/z	Relative Intensity
50.33639	2.3
53.03940	100.0
54.81974	1.9
55.01860	2.7
55.05506	74.5
58.31811	2.1
59.04962	2.0
60.95753	2.1
65.03914	2.8
66.30146	2.3
67.05482	12.6
69.03403	2.8
70.02934	22.5
70.04208	2.7
71.04974	32.1
81.03398	44.4
85.06010	2.8
85.06528	78.1
95.04974	4.5
96.00812	10.2
110.20872	2.5
113.02335	5.5
113.03471	39.3
113.05995	37.3
130.37163	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	113.06
Annotation	Parasorbic acid
Peak:m/z	Relative Intensity
53.03941	100.0
55.01852	3.1
55.05506	78.3
56.96531	1.6
57.03414	3.9
67.05495	2.7
70.02936	3.1
70.04181	3.7
71.04973	25.9
81.03400	47.5
85.06527	74.5
95.04890	1.9
96.00834	2.1
102.79265	1.7
112.99978	2.5
113.02345	6.6
113.03471	9.8
113.05982	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89859	0.3
53.00293	0.7
53.03935	0.6
53.19910	0.4
54.81713	0.3
55.01864	4.7
55.05505	4.5
57.03430	14.1
57.07070	9.7
61.56571	0.4
63.15372	0.3
65.03931	16.3
67.05495	100.0
69.03416	31.2
69.03802	0.7
71.04977	28.7
75.33090	0.5
83.04968	12.4
84.03057	0.3
85.06528	8.7
92.08535	0.8
95.04947	30.1
113.05985	15.5
113.06741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.4
53.03940	1.5
53.52405	0.2
55.01869	3.7
55.05507	4.9
57.03429	13.8
57.07066	10.1
59.62233	0.3
65.03927	14.2
67.05492	100.0
69.03414	39.0
70.02937	0.5
71.01337	0.3
71.04975	18.0
78.51134	0.3
81.03414	0.5
82.40347	0.3
83.04968	12.4
85.06530	6.3
95.04947	27.2
98.50830	0.4
99.00580	0.4
113.02363	1.2
113.03471	1.9
113.05193	0.6
113.05989	17.4
119.95673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.6
55.01857	6.3
55.05493	8.3
57.03429	20.7
57.07069	11.5
65.03927	16.7
67.05490	100.0
69.03413	33.3
70.02910	1.4
71.04975	29.7
72.93739	1.2
77.65220	1.2
83.04971	14.7
85.06522	12.7
86.28011	1.4
89.00176	1.2
90.00121	5.6
92.08679	2.0
95.04396	2.1
95.04944	33.0
98.50781	1.9
99.00617	6.9
113.02352	1.5
113.03464	5.0
113.05994	18.3
113.10757	1.4
119.95676	1.4
123.49293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0598
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.00786	0.4
53.00299	1.1
53.03939	2.3
54.22972	0.5
55.01867	3.8
55.05496	5.7
57.03428	16.7
57.07064	10.1
59.42796	0.5
60.95839	0.5
65.03928	15.5
67.05492	100.0
68.05836	0.6
69.03414	29.8
71.04975	29.5
71.05376	0.8
77.15850	0.5
81.03388	0.8
83.04966	13.4
85.06530	9.8
87.39690	0.5
87.97392	0.4
90.00100	0.9
92.09301	2.6
94.02822	0.5
95.04945	30.2
99.00618	1.2
108.01157	0.8
113.03489	1.3
113.05987	17.3
114.09127	0.6
119.95754	0.6
120.96481	0.6
129.86502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0598
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
52.79474	0.4
53.00299	1.0
53.03933	1.9
53.19239	0.3
55.01864	3.6
55.05503	4.4
57.03424	13.9
57.07061	10.9
61.57435	0.4
62.93762	0.5
64.33511	0.5
65.03925	14.3
65.04268	0.5
67.05489	100.0
69.03415	35.3
69.03800	0.7
71.04974	24.8
83.04958	12.9
85.06518	5.8
92.08740	1.7
92.09328	0.9
95.04940	28.9
99.00630	1.0
106.24396	0.5
113.02351	0.8
113.03487	0.9
113.05984	13.3
114.09156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
51.31812	0.4
53.00297	0.6
53.03937	0.4
54.81770	0.5
55.01864	3.4
55.05275	0.5
55.05502	5.4
57.03429	17.2
57.07069	9.9
64.33403	0.5
65.03930	14.4
66.08950	0.4
67.05493	100.0
69.03415	32.7
71.04979	26.5
71.05379	1.1
73.78998	0.4
73.89765	0.4
78.13209	0.5
83.04964	14.0
85.06533	5.4
92.09300	1.8
95.04945	25.4
108.09532	0.5
113.05991	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00294	0.9
53.03934	0.7
55.01873	4.1
55.05505	5.0
57.03146	0.5
57.03429	13.3
57.07067	9.1
60.15164	0.4
65.03931	13.5
67.05494	100.0
69.03417	32.2
69.03803	0.7
71.04978	29.5
76.01436	0.5
78.99433	0.4
81.13855	0.5
83.04964	15.2
85.06532	8.2
95.04949	31.1
113.05996	17.2
113.06750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
52.00444	0.4
53.00304	0.6
53.03943	1.2
54.47948	0.4
55.01870	4.1
55.05510	5.1
57.03431	15.3
57.06815	0.8
57.07068	12.9
64.80886	0.5
65.03927	14.2
65.04266	0.6
67.05492	100.0
69.03416	33.2
71.04978	37.1
71.05373	1.1
83.04963	14.0
85.06522	11.4
95.04947	27.4
98.24883	0.6
99.07108	0.5
113.03477	0.8
113.05988	15.0
128.11971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0598
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00262	0.7
53.03933	1.8
55.01855	3.3
55.05495	3.6
57.03429	16.0
57.07070	10.8
65.03925	12.5
67.05491	100.0
67.93935	0.7
69.03063	1.2
69.03416	28.1
71.04610	1.5
71.04976	34.8
71.62668	0.7
74.02290	0.7
83.04964	10.3
85.06530	13.2
92.08672	1.1
95.04943	35.3
113.05989	20.2
134.07849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0592
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.17104	6.5
53.03930	17.4
54.71444	5.8
55.05491	13.3
57.03421	9.9
62.46551	5.8
66.11217	6.8
67.05495	100.0
68.88939	6.7
69.03410	16.2
70.02911	6.4
71.04967	44.1
83.04932	12.8
85.06515	9.0
90.01912	7.2
95.04927	12.7
99.00625	11.9
113.05952	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45919	0.5
53.00301	1.0
53.03939	1.3
55.01863	3.2
55.05503	5.5
57.03430	15.8
57.06848	0.6
57.07072	9.8
65.03933	14.2
67.05492	100.0
67.18510	0.6
69.03415	30.4
71.04975	33.5
77.38297	0.6
78.17327	0.6
83.04969	14.6
85.06529	6.3
85.65298	0.6
88.30572	0.6
90.00101	1.0
92.08650	2.6
95.04323	1.2
95.04944	30.6
99.00627	0.8
113.05994	13.5
114.38599	0.7
114.73238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00308	0.8
53.03951	0.9
55.01870	5.3
55.05508	3.5
57.03428	14.9
57.07067	8.9
63.50019	0.4
65.03931	15.9
67.05492	100.0
69.03416	43.4
69.65704	0.4
71.01308	0.4
71.04974	14.9
83.04966	11.8
85.06529	5.5
95.04945	28.4
99.00614	0.7
113.05981	15.0
130.63197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33569	0.4
53.00301	2.0
53.03930	0.7
53.14748	0.4
55.01861	3.6
55.05504	4.3
55.27552	0.4
57.03426	13.9
57.07064	10.0
65.03925	14.5
67.05489	100.0
67.66618	0.4
69.03414	28.9
71.04973	35.4
81.01535	0.4
81.03410	0.4
83.04961	13.2
84.79353	0.4
85.06525	11.0
92.08847	2.1
94.65061	0.5
95.04945	34.4
113.02341	0.5
113.03485	0.8
113.05985	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	1128.6819
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	3.9
81.07038	5.7
83.04975	0.9
85.02904	1.0
85.06532	18.4
85.07012	1.1
87.04457	5.6
88.67057	0.5
91.05463	4.1
92.42709	0.5
93.07011	6.1
95.04950	35.6
95.08573	3.2
101.05998	1.2
103.05364	0.5
105.07017	5.7
107.08569	6.8
109.06525	1.1
109.10152	1.1
113.05991	100.0
113.82553	0.6
114.06347	0.9
117.07010	3.7
119.08549	3.9
121.10117	3.9
125.05971	6.9
127.07533	0.6
129.06953	0.8
131.08539	5.4
133.10088	4.7
135.08049	0.9
135.11684	1.3
140.89078	0.6
141.06972	1.0
143.08574	3.6
145.08592	28.7
145.10095	4.7
147.08044	0.9
147.11690	4.4
149.05933	0.5
149.13264	0.8
153.05461	5.6
153.06863	0.8
155.07024	2.8
155.08545	2.4
157.08974	0.5
157.10074	4.6
159.08051	0.5
159.11673	5.8
161.09576	0.7
161.13263	2.1
163.07545	3.4
167.08556	0.7
169.10114	2.1
171.11681	2.5
173.13243	1.2
175.07513	1.3
175.14818	0.9
177.08980	0.7
181.10013	0.7
183.11682	3.2
185.13263	2.3
187.14799	0.7
189.09058	0.8
191.10641	0.9
195.11697	1.3
197.13240	2.6
199.11079	0.8
199.14827	2.7
201.09149	0.9
201.16327	3.8
203.10623	0.8
207.11858	0.7
209.13333	2.0
211.14868	2.2
213.16293	0.8
215.10802	1.1
215.17990	1.0
217.12238	0.8
225.16586	0.6
227.10594	0.7
229.12239	1.3
235.14828	1.1
237.16348	0.6
243.13794	3.6
245.15752	0.5
251.17851	0.8
261.14774	1.2
271.16891	1.0
277.19406	1.0
281.15619	0.6
291.21042	2.8
293.22733	0.6
305.44211	0.8
309.22348	1.0
319.20554	3.5
337.21524	19.4
355.22617	34.8
355.26993	1.2
356.22589	1.3
369.20435	0.7
371.21967	1.1
373.23682	31.4
387.21707	0.6
391.24597	3.4
433.25577	3.9
499.30243	6.2
517.31512	36.6
518.31628	1.3
535.32489	2.2
577.33539	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	1115.6267
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06444	0.5
95.04820	1.5
95.05342	0.2
113.05993	4.4
114.06194	0.5
119.01765	1.5
119.02519	0.3
124.06624	0.2
133.09991	0.3
137.02814	1.0
145.08507	0.4
167.06769	0.3
182.75432	0.2
187.04395	1.2
213.05884	0.3
245.08572	1.5
355.22479	0.5
356.23145	0.4
373.23566	1.3
374.24036	0.6
375.24155	0.5
395.21722	0.4
420.30215	0.3
455.23770	0.3
539.29694	100.0
540.29871	2.2
580.32263	1.8
599.31775	92.4
600.32104	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	1115.6267
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06444	0.5
95.04820	1.5
95.05342	0.2
113.05993	4.4
114.06194	0.5
119.01765	1.5
119.02519	0.3
124.06624	0.2
133.09991	0.3
137.02814	1.0
145.08507	0.4
167.06769	0.3
182.75432	0.2
187.04395	1.2
213.05884	0.3
245.08572	1.5
355.22479	0.5
356.23145	0.4
373.23566	1.3
374.24036	0.6
375.24155	0.5
395.21722	0.4
420.30215	0.3
455.23770	0.3
539.29694	100.0
540.29871	2.2
580.32263	1.8
599.31775	92.4
600.32104	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	1116.6671
Annotation	Unknow
Peak:m/z	Relative Intensity
78.65250	3.3
79.05475	80.6
80.46799	3.9
80.79950	4.5
81.03397	4.8
81.07042	100.0
85.02896	74.2
91.03944	54.9
91.05458	54.2
93.07021	73.0
95.04938	7.4
95.08578	87.9
97.02879	42.7
105.07012	44.9
107.08594	45.5
109.06524	3.8
109.10139	34.0
117.06969	14.8
119.08536	32.7
121.10133	30.2
123.11700	5.7
127.03893	19.3
131.08537	21.9
133.10106	31.0
135.11647	30.1
145.04991	28.0
145.10117	20.3
147.11684	17.5
149.13307	7.5
159.11766	10.3
161.13229	13.0
163.06012	44.5
173.13223	15.1
187.14836	4.0
187.29314	4.2
259.20560	8.5
261.22186	23.4
279.23190	4.0
310.75424	3.5
333.24225	15.2
335.25681	99.8
337.27310	17.5
595.47144	31.2
613.47925	58.6
1012.42480	4.4
1029.27551	5.2
1109.73547	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	1110.671
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	1.8
81.07049	1.6
83.04977	2.8
85.02874	2.2
85.06007	0.3
85.06528	15.1
87.04440	6.2
91.05477	2.4
93.07024	2.7
95.04947	43.5
95.08588	1.6
97.06519	0.3
99.08054	0.4
101.05992	2.4
105.07006	3.5
107.08576	3.1
109.06493	0.6
109.10136	0.7
111.04427	5.3
112.48620	0.3
113.05992	100.0
114.06335	0.6
117.06978	1.6
119.08582	2.7
121.06486	0.4
121.10152	2.2
125.05962	0.3
127.07518	3.9
129.06998	0.7
131.08519	2.3
133.10156	2.4
135.11688	1.3
143.08556	3.2
143.59126	0.3
145.08583	31.0
145.10075	3.6
147.07990	0.4
147.11678	3.3
149.13222	0.7
155.08556	1.6
157.10103	1.9
159.08141	0.4
159.11668	3.3
161.01225	0.4
161.13252	1.9
162.11258	0.6
167.08394	0.4
169.10078	0.8
171.11676	1.4
173.09584	1.2
173.13255	1.1
175.07535	1.7
175.14725	0.7
181.10135	0.5
183.11639	2.2
185.09602	0.4
185.13246	1.5
187.02751	0.6
187.14857	0.7
195.11768	0.7
197.13229	0.7
199.14786	0.8
201.16382	0.5
203.10623	0.4
209.13213	0.6
211.11322	0.4
211.14825	0.5
213.16443	0.4
215.17982	0.6
223.14862	0.5
227.10680	2.3
229.12231	3.4
231.17293	0.3
241.12207	1.2
251.17792	0.4
253.19386	1.2
255.13715	1.3
269.15305	0.3
277.19492	0.7
291.20987	0.7
309.22275	0.5
319.20532	2.1
337.21542	15.8
355.22601	16.2
356.23065	0.5
373.23669	82.1
374.24072	2.3
433.25732	12.8
499.30240	1.7
517.31506	17.8
518.31604	0.4
577.33691	3.0
1018.09320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.6705
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	2.7
81.07042	3.0
83.04987	1.9
83.08572	0.3
85.02892	0.3
85.06528	27.8
87.04469	1.7
91.05463	2.8
93.07018	3.7
95.04947	25.8
95.08580	3.0
97.06490	0.4
99.08069	0.4
101.05984	1.1
105.07017	4.7
107.08570	3.7
109.06492	1.6
109.10149	2.0
113.05988	100.0
114.06345	0.9
117.07037	2.1
119.08549	4.0
121.06503	0.4
121.10123	2.3
123.04420	0.3
125.05974	2.6
127.07568	0.5
129.06995	2.1
131.08528	3.1
133.10120	3.8
135.11687	1.8
135.76855	0.2
137.13719	0.3
141.05304	0.3
141.06995	0.5
142.07817	0.5
143.08540	2.8
145.08578	30.4
145.10075	3.8
146.08914	0.3
147.08008	1.0
147.11665	3.8
149.09641	0.4
149.13274	1.1
153.05466	2.6
153.06689	0.3
155.06987	1.4
155.08424	1.6
157.10107	3.1
159.08105	0.3
159.11668	4.4
161.05983	0.3
161.09560	0.4
161.13222	3.2
162.11252	1.1
163.07463	0.4
163.11218	0.3
167.07123	0.3
167.08545	0.4
168.09282	0.4
169.10098	1.6
171.07980	0.3
171.11688	2.0
173.05962	0.2
173.13210	1.2
175.07532	2.3
175.14803	1.7
177.09117	0.4
181.08742	0.3
181.10132	1.4
183.11668	2.9
185.09650	0.5
185.13173	2.6
187.07448	0.4
187.11176	0.2
187.14777	1.5
189.09090	1.2
189.16379	1.1
193.08546	0.3
193.10165	0.2
195.11673	1.4
197.13162	1.6
199.11185	0.3
199.14807	1.9
201.09100	0.3
201.12645	0.4
201.16374	1.7
203.10588	1.0
203.14293	0.2
207.10057	0.4
207.11794	0.3
209.09575	0.8
209.13194	1.6
211.11205	1.1
211.14835	1.2
213.09206	0.3
213.16400	0.9
215.10669	0.9
215.14468	0.2
215.18001	2.1
217.12250	0.9
221.13239	0.5
223.14738	0.8
225.12805	0.3
225.16379	0.5
227.10628	2.8
227.14320	0.3
229.12199	3.8
231.17380	0.3
235.14838	1.0
237.12659	0.4
237.16389	0.4
241.12224	1.6
243.13857	0.9
247.13191	0.5
249.16341	0.5
251.17888	1.2
253.19458	1.3
255.13731	2.0
257.15378	0.3
263.17728	0.3
267.13672	0.3
269.15332	0.4
277.19522	1.9
281.15277	0.9
291.20963	3.0
293.22531	0.5
295.16968	1.0
301.19458	0.4
309.22021	3.1
311.23822	0.4
319.20532	4.1
337.21552	30.0
338.21814	1.0
355.22607	31.7
356.23019	1.1
373.23657	69.3
374.24005	2.1
415.24622	2.0
433.25739	21.6
434.25830	0.4
499.30624	4.6
517.31549	11.2
577.33618	3.3
748.11572	0.3
985.96967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.6704
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	1.5
81.07018	1.7
83.04956	1.5
85.02870	1.4
85.06513	11.3
87.04449	7.2
91.05465	3.2
93.07008	3.9
95.04949	47.9
95.08560	1.4
105.07036	6.0
107.08598	5.9
109.10131	1.1
111.04432	1.4
113.05987	100.0
117.07002	1.3
119.08549	4.5
120.56590	0.7
121.10078	2.9
122.26707	0.7
125.06060	0.9
127.07513	5.0
127.28510	0.7
127.97375	0.6
129.06984	1.1
131.08546	4.5
133.10083	5.6
135.11653	1.2
141.06952	0.7
143.00069	0.9
143.08542	1.3
145.08585	33.0
145.09967	2.3
147.11681	5.2
148.32246	0.7
155.08562	1.2
157.10146	1.6
159.11681	5.2
161.01216	0.8
161.13257	3.7
169.10033	1.0
171.11676	1.5
173.09610	0.8
175.07527	4.2
175.14813	0.9
183.11644	3.0
185.13292	1.0
187.14859	0.9
197.13135	2.5
199.14841	1.1
201.16302	0.8
209.13228	1.1
211.14880	1.5
213.16287	1.3
215.17937	1.3
227.10600	3.0
229.12155	4.2
241.12221	1.1
243.13698	1.0
253.19478	1.6
255.13757	1.2
255.20897	0.7
291.21002	3.5
295.16702	0.9
309.21854	1.1
311.55536	0.7
319.20541	1.3
337.21548	28.5
337.25595	1.2
355.22610	26.3
373.23660	85.3
374.24152	1.7
415.24786	0.9
416.24435	0.8
433.20309	1.1
433.25781	25.1
499.29724	1.0
517.31470	7.7
577.33313	3.4
591.28564	0.9
922.47601	0.8
1104.26160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.6411
Annotation	Unknow
Peak:m/z	Relative Intensity
76.72466	0.5
79.05479	6.3
81.07027	9.6
83.04959	3.3
83.08592	2.1
85.02867	0.7
85.06523	22.6
87.04439	6.6
91.05454	10.8
93.07017	10.3
95.04944	47.4
95.08575	7.5
95.79709	0.6
97.06494	2.3
105.07017	12.5
107.04932	0.8
107.08585	11.6
109.06505	2.5
109.10157	4.8
113.05985	100.0
115.05415	1.1
116.06190	0.5
117.07004	7.8
119.08543	9.0
121.06484	3.2
121.10112	4.6
123.08028	0.9
123.66778	0.5
125.05966	5.7
128.06186	1.1
129.06976	6.1
131.08543	11.8
133.06450	0.8
133.10120	8.2
135.08070	1.8
135.11671	3.3
137.06021	0.8
141.05466	0.7
141.06979	2.4
142.07790	1.0
143.08553	8.7
145.06564	0.7
145.08582	18.8
145.10088	9.8
147.07979	2.4
147.11665	7.9
149.06033	0.7
149.13200	1.3
151.11188	0.6
153.05432	3.5
153.06944	2.3
154.07668	0.6
155.08522	6.1
156.09303	0.7
157.06473	0.9
157.10101	9.9
159.08072	2.2
159.11658	12.7
161.09604	0.8
161.13213	8.5
161.71324	0.6
163.07535	2.9
163.11176	0.8
165.06961	1.2
166.07768	0.6
167.08517	2.7
168.09329	0.8
169.10104	6.8
170.10849	0.8
171.08012	2.0
171.11621	5.8
173.09564	2.1
173.13225	5.3
175.07515	7.3
175.11159	0.6
175.14771	2.4
177.08998	0.7
179.08519	0.8
180.09377	0.6
181.10081	5.7
182.10698	0.7
183.11647	8.4
185.09587	2.3
185.13208	7.3
187.07495	1.0
187.14789	1.9
189.09050	3.2
189.16423	0.7
193.10141	2.0
195.11601	4.8
197.09596	2.3
197.13190	6.3
199.11110	2.9
199.14778	4.7
201.09088	2.4
201.12665	0.9
201.16379	1.2
203.10657	2.6
207.11740	2.1
209.09612	2.4
209.13220	5.3
211.11131	3.2
211.14803	2.8
213.09108	1.2
213.12666	0.9
213.16344	2.1
215.10660	2.2
215.17888	2.5
217.12263	0.8
217.15852	0.7
219.11681	0.7
221.13237	2.1
223.11227	1.0
223.14799	3.8
225.12650	1.2
225.16367	1.2
227.10564	9.1
227.14178	0.7
227.17848	0.7
229.12183	8.5
231.17418	0.9
233.13263	0.6
235.14780	4.1
237.16428	1.2
241.12154	5.5
243.13783	3.2
249.16306	2.9
251.17929	2.2
253.19415	3.2
255.13693	5.0
263.14478	0.5
263.17816	1.0
265.19418	0.9
269.15283	1.1
275.17914	1.2
277.19501	1.0
279.13574	0.7
281.15338	1.2
283.16809	1.3
289.19397	2.6
291.20956	3.3
293.18982	1.1
293.22424	1.0
295.16861	2.4
307.20313	4.4
309.18817	1.1
309.21896	3.9
311.16443	0.6
311.19946	2.0
317.18884	2.1
319.20615	4.7
325.21548	3.4
335.19989	13.3
337.21542	50.3
338.21637	0.8
353.21011	24.6
355.17911	0.6
355.22577	59.7
371.22083	25.9
373.23648	74.3
374.23758	0.9
389.23126	31.1
397.23715	0.7
415.24246	1.8
433.25757	21.9
499.30441	12.1
517.31201	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	1100.489
Annotation	Unknow
Peak:m/z	Relative Intensity
77.71913	0.2
79.05485	2.5
81.03400	0.3
81.07038	3.8
83.04973	0.4
83.08599	0.2
85.02888	1.2
87.04451	0.2
91.05464	2.5
92.08794	0.8
93.07025	1.1
95.04977	0.3
95.08595	0.9
97.02887	0.8
103.05427	0.2
105.07026	3.6
107.04963	1.2
107.08584	13.3
109.06507	5.2
109.10146	4.1
112.97675	0.2
115.03909	0.2
115.05448	0.8
117.06993	1.6
119.06082	0.2
119.08546	1.5
121.06472	0.8
121.10128	8.0
122.07275	2.7
123.08052	1.2
125.09672	0.2
127.03904	0.2
129.06952	0.2
131.08551	2.1
133.10112	100.0
134.10480	0.8
135.08034	11.0
135.11655	1.5
137.09599	72.9
138.09906	0.3
143.08536	0.4
145.02829	0.3
145.06497	0.4
145.10126	0.7
147.11676	1.6
149.09608	0.3
149.13243	11.6
151.11197	0.3
156.05676	0.2
158.10884	0.8
159.08075	0.3
163.14780	2.3
167.07004	1.1
169.65756	0.2
173.05956	1.0
173.13223	6.1
177.05441	0.8
183.34660	0.2
187.07564	0.2
190.06239	0.7
191.14281	45.0
192.14552	0.3
194.24437	0.2
195.17738	0.2
204.07738	0.2
205.08588	1.1
209.15343	38.1
217.08574	0.7
219.09984	0.2
242.48558	0.2
247.09358	0.2
249.11194	3.9
265.10699	0.7
267.12219	0.7
297.02771	0.2
303.04803	0.4
353.19290	0.8
371.20609	9.8
401.16003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6459
Annotation	Unknow
Peak:m/z	Relative Intensity
77.06017	0.3
79.05465	3.2
81.07043	5.5
83.04948	2.4
83.08615	0.5
85.02866	0.5
85.06526	31.2
87.04449	1.6
91.05452	6.4
93.07021	6.0
95.04942	28.5
95.08040	0.4
95.08584	3.7
96.05289	0.3
97.06495	1.5
98.41388	0.2
99.08066	0.6
101.05993	0.6
103.02524	0.2
103.05488	0.4
104.38163	0.2
105.04473	0.3
105.07016	8.1
107.04910	0.4
107.08578	5.3
109.02890	0.3
109.06498	1.6
109.10146	3.3
113.05984	100.0
114.06332	1.1
115.05458	0.3
117.06998	3.3
119.08553	6.6
121.06480	1.1
121.10147	3.3
125.05933	2.1
127.07512	0.4
129.07002	3.3
131.08545	6.4
133.06461	0.5
133.10109	5.3
135.08044	0.4
135.11699	2.5
139.07481	0.4
141.06999	1.3
142.07764	1.2
143.08543	4.5
143.10323	0.3
145.08578	30.5
145.10083	5.6
147.08014	1.4
147.11655	4.7
149.09639	0.3
149.13242	2.1
153.05429	1.9
153.06952	0.3
155.07106	0.5
155.08531	2.5
156.09329	0.6
157.06387	0.3
157.10083	5.3
159.08044	0.4
159.11644	7.5
161.09607	1.1
161.13234	5.0
163.07513	1.2
163.11182	0.4
165.06982	0.5
166.07652	0.3
167.08571	1.1
168.09259	0.4
169.10051	3.4
171.07980	0.5
171.11676	3.0
173.09619	0.4
173.13170	1.9
175.07503	4.4
175.14789	1.8
177.09056	1.5
181.10110	2.8
182.10904	0.5
183.10167	0.4
183.11655	5.0
185.09583	0.5
185.13190	2.7
187.07497	0.7
187.11159	0.5
187.14796	1.4
189.09062	2.3
189.16357	1.0
193.10094	0.5
195.11726	2.6
197.09645	0.6
197.13248	2.8
199.11238	1.1
199.14764	2.6
201.09079	1.1
201.12720	0.4
201.16347	1.8
203.10652	1.1
206.10896	0.3
207.11652	1.2
209.09601	1.3
209.13225	3.1
211.11182	1.8
211.14784	1.7
213.09077	1.6
213.12643	0.5
213.16377	1.5
215.10738	0.4
215.17834	2.1
217.12251	0.5
219.11870	0.3
220.12430	0.3
221.13214	1.2
223.11121	0.5
223.14806	1.0
225.12889	0.5
225.16283	1.1
227.10626	5.9
227.14212	1.0
229.12221	6.1
231.13821	0.3
231.17320	0.5
235.14844	1.8
237.12668	0.5
237.16431	0.5
239.17928	0.4
241.12143	2.3
243.13667	1.3
249.16318	1.1
251.17900	1.4
253.12038	0.3
253.19415	2.1
255.13722	3.4
263.17941	0.6
267.13644	0.4
269.15198	0.5
277.19434	1.8
281.15283	1.3
281.22556	0.5
291.18002	0.5
291.20908	3.7
295.16879	0.7
309.22052	3.9
319.20511	3.7
331.32349	0.3
337.21539	38.8
338.22061	1.2
355.22595	44.3
356.22955	1.2
369.00137	0.3
373.23642	73.4
374.24020	2.3
383.09131	0.3
397.23383	0.4
415.24753	4.6
433.25732	18.4
434.25726	0.6
499.30432	14.8
517.31427	9.1
539.29395	0.4
553.61664	0.4
559.32251	0.5
577.33557	1.3
615.28229	0.5
654.28345	0.3
704.99225	0.3
760.54517	0.3
814.94501	0.4
1014.07672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03939	1.9
55.05503	8.8
59.47018	0.4
64.33296	0.4
65.03934	1.9
65.97359	0.3
66.92995	0.4
67.05491	100.0
69.07051	4.8
69.95795	0.4
79.05479	6.7
80.06263	0.5
81.03413	4.4
81.07038	31.1
84.34938	0.4
86.00694	0.9
86.50607	1.9
87.00446	5.3
91.75308	0.3
92.08739	2.9
92.09379	1.3
94.07796	1.0
95.51107	0.5
96.00961	0.8
102.54040	0.4
107.08574	4.6
109.06525	6.0
109.10141	94.5
110.10420	0.4
113.96418	1.0
129.97896	0.5
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	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.03941	34.8
55.01878	0.4
56.96570	0.5
57.25337	0.2
62.99060	0.6
64.68407	0.2
74.83965	0.2
79.05479	0.3
81.03400	100.0
82.03725	0.4
86.50601	1.5
89.80556	0.3
92.09132	0.4
95.51122	0.3
103.02217	0.3
109.02859	10.4
109.07633	0.6
112.96707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02367	1.1
53.03942	35.0
54.81715	0.2
58.64294	0.2
60.34959	0.2
62.99054	0.5
65.00644	0.3
75.80758	0.2
79.38735	0.3
81.03402	100.0
82.03743	0.3
82.48875	0.3
84.41762	0.2
86.50613	1.1
88.00465	0.3
89.00252	0.3
93.44475	0.2
97.00997	0.4
98.00735	0.3
101.91277	0.2
109.02850	9.3
109.07644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.7388
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	1.0
81.07031	3.2
83.04964	1.7
83.08609	0.8
85.06541	0.2
91.05469	1.5
93.06422	0.1
93.07016	3.2
95.04932	1.1
95.08578	5.9
97.06507	0.8
97.10179	0.2
101.67898	0.1
105.06284	0.1
105.06480	0.1
105.07008	5.3
107.08576	6.5
109.06521	0.7
109.10138	3.3
111.08073	0.6
117.06992	0.3
119.08554	7.6
121.06486	0.2
121.10124	3.8
123.08057	0.6
123.11681	2.0
125.09612	0.3
126.98773	0.1
129.06998	0.5
131.08517	1.4
133.10107	4.6
135.08058	0.5
135.11658	5.6
137.09570	0.3
137.13248	1.1
139.07539	0.2
139.11162	0.5
141.06952	0.5
143.08569	1.3
145.06473	0.2
145.10104	2.0
146.55167	0.1
147.08058	0.7
147.11650	2.9
149.09653	0.9
149.13248	1.2
151.11151	0.4
152.04053	0.1
153.09100	0.5
153.12767	0.1
155.08537	1.0
157.10095	2.0
159.08002	0.2
159.11647	1.7
161.09586	2.2
161.13226	2.2
163.11157	0.3
163.14767	1.0
165.09042	0.1
167.10693	0.2
169.10117	0.6
171.11638	1.7
173.09546	0.2
173.13222	2.6
175.11182	1.0
175.14783	7.4
177.12788	0.2
177.16318	1.8
179.10663	0.2
179.14320	0.2
182.10977	0.1
183.08748	0.1
183.11665	1.2
185.13182	1.0
187.11139	0.5
187.14774	2.3
189.12794	0.9
189.16341	13.4
191.14366	0.2
191.17897	1.8
193.15860	0.3
197.13220	2.2
199.14792	2.9
199.16478	0.2
201.12791	0.2
201.16377	1.2
203.14294	0.3
203.17964	0.2
207.17433	1.1
211.14780	0.9
213.16324	1.3
215.14285	1.9
215.17958	0.8
217.15840	7.0
221.15379	0.2
225.16382	0.4
227.17888	1.3
229.15889	0.8
229.19550	0.6
231.13789	0.2
231.17447	0.7
233.19084	0.2
235.16884	7.0
239.18005	0.2
241.19463	0.5
243.17355	0.2
243.21016	0.7
244.73442	0.1
245.15401	0.2
245.19002	0.7
253.19466	2.4
253.21785	0.2
255.21033	0.5
257.18921	0.9
261.14832	0.5
263.16290	0.2
265.19321	0.1
267.21133	0.7
271.17581	0.2
271.20499	4.9
271.50464	0.1
273.18515	0.5
273.22110	0.1
275.16525	0.1
283.20468	0.2
285.22168	0.9
291.19547	0.2
299.20059	0.3
301.21567	0.1
313.21521	0.2
317.21112	1.9
364.34595	0.1
380.38922	0.1
389.31958	0.7
407.33008	2.7
425.34058	12.3
426.34390	0.2
435.32513	1.0
453.33658	0.7
471.34607	100.0
472.34985	2.0
714.07147	0.2
835.78986	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	1087.5957
Annotation	Unknow
Peak:m/z	Relative Intensity
78.69765	0.2
79.05499	0.2
81.07041	0.2
85.02912	0.8
95.04984	0.3
95.08598	0.2
97.02866	0.2
105.07031	0.2
105.31046	0.2
107.08617	0.4
113.06001	1.0
121.10130	0.3
167.06783	0.2
175.14780	0.2
176.62471	0.2
208.95062	0.2
390.23520	0.3
411.21341	15.8
555.29205	100.0
556.29388	2.5
583.46820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1086.671
Annotation	Unknow
Peak:m/z	Relative Intensity
77.36617	0.3
79.05476	8.6
81.07045	3.9
83.04958	1.3
85.06531	6.9
87.04443	2.8
91.05453	5.2
93.07004	4.4
95.04946	21.1
95.08573	4.1
97.06486	0.7
101.06033	0.5
105.07010	12.0
107.04904	0.5
107.08577	39.8
109.06506	1.8
109.10122	1.6
111.08076	0.3
113.05988	42.0
115.05475	0.4
115.44291	0.3
117.06983	3.6
119.08556	6.0
121.06460	0.5
121.10101	2.9
129.06950	1.5
130.07758	0.5
131.08542	16.6
133.06445	0.5
133.10097	6.6
135.08051	0.6
135.11678	2.1
141.06972	1.3
142.07799	0.5
143.08557	6.1
145.06494	0.4
145.08589	7.0
145.10106	24.6
147.07983	0.7
147.11668	10.5
149.05914	0.5
149.09589	3.6
149.13234	1.3
155.08528	1.6
157.10088	5.0
158.07216	0.5
159.08040	1.9
159.11658	9.5
161.09576	4.5
161.13242	1.8
163.11165	1.7
165.12712	2.9
169.10092	2.3
171.11678	3.5
173.09581	22.2
173.13138	2.0
175.11156	6.4
177.09061	0.5
177.12794	3.3
177.67970	0.3
178.01071	0.3
179.10660	0.6
181.10110	0.5
183.11722	2.1
185.09564	0.6
185.13197	2.0
187.11137	3.7
187.14772	0.4
189.09068	0.6
189.12788	2.0
191.10638	13.0
191.12457	0.5
191.14212	3.9
193.12103	0.4
195.11684	1.2
197.13220	1.8
199.11118	0.7
199.14684	1.0
201.12712	1.3
203.10629	1.5
205.12192	0.4
209.13301	0.6
209.15331	1.4
211.11214	0.4
211.14783	1.1
215.10622	2.1
215.14212	0.4
223.14642	0.7
229.12193	1.2
243.13826	1.3
253.19482	15.4
261.14819	0.3
263.14453	0.3
263.17831	0.4
271.20499	14.1
277.19482	1.8
289.21518	3.0
291.21042	2.1
293.22717	0.5
295.17383	0.4
295.20575	1.6
301.19507	1.2
309.22000	3.0
311.23566	1.1
319.20523	8.5
327.23077	1.3
337.21545	29.0
338.21976	0.7
355.22614	31.6
356.23108	0.6
373.23648	42.6
374.24033	0.6
391.24704	100.0
392.24860	2.4
409.25787	14.3
552.35150	5.7
773.62854	0.3
876.12500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.6553
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05458	4.6
81.07027	7.3
83.04952	2.5
83.08601	2.2
85.02869	1.1
85.06525	18.9
87.04434	5.7
91.05444	5.9
93.07014	6.0
95.04942	38.8
95.08577	8.0
97.06519	1.0
98.97546	0.5
101.05997	1.7
104.84949	0.4
105.07002	8.1
105.34953	0.5
107.04967	0.8
107.08559	5.0
109.06492	5.1
109.10109	3.6
111.04362	0.5
111.08077	0.8
113.05984	100.0
114.06335	0.7
115.05415	0.6
116.98576	0.5
117.06993	1.0
119.08549	5.2
121.06477	2.2
121.09376	0.4
121.10114	4.0
123.04424	0.6
123.08064	1.8
123.11699	0.6
125.05954	6.5
127.03852	0.5
127.07504	0.8
128.06174	0.5
129.06981	3.8
129.42218	0.5
131.08534	7.3
133.06465	0.8
133.10117	4.5
135.08043	2.4
135.10799	0.4
135.11647	4.2
137.05957	0.7
137.09631	0.8
141.06966	1.0
142.07713	0.4
143.08566	6.4
145.06499	1.0
145.08583	19.5
145.10089	6.9
147.08017	1.1
147.11658	2.0
149.13257	1.0
151.07503	1.1
153.05484	4.4
153.06575	0.5
155.08562	2.7
157.10100	5.6
159.08052	2.5
159.11636	4.2
161.05849	0.5
161.09596	2.4
161.13187	3.6
162.11209	0.5
163.07501	2.0
163.11084	0.7
165.09094	0.5
167.08374	0.5
169.10127	3.2
171.08069	1.0
171.11620	3.3
173.09596	2.0
173.13266	2.7
175.07506	4.4
175.11150	1.8
175.14804	1.8
177.09059	2.2
177.16367	2.0
179.07004	6.1
181.10074	3.7
183.08015	0.6
183.11633	3.8
185.09630	1.6
185.13254	3.8
187.07539	0.5
187.11104	0.6
187.14696	1.1
189.09027	3.2
191.10738	0.7
195.11635	3.3
197.09578	1.1
197.13167	3.1
199.11113	3.4
199.14821	2.4
201.09105	1.1
201.12727	0.9
201.16269	0.5
203.10754	0.5
203.14259	0.5
203.18147	0.6
207.11655	0.9
209.09607	1.8
209.13226	2.9
211.11130	1.1
211.14795	1.7
213.09163	0.6
213.12709	1.0
213.16345	1.1
215.10724	0.7
217.15793	1.1
219.11751	0.9
221.13087	0.7
223.11198	0.7
223.14818	1.8
225.09036	0.7
225.12720	0.8
227.10553	3.9
227.14297	0.6
229.12111	1.0
231.13641	0.7
233.13391	0.8
235.14734	1.1
237.12761	0.5
237.16229	0.6
241.12228	2.6
243.10152	0.6
243.13881	0.5
245.11568	0.9
247.14786	0.7
249.16579	1.5
251.17909	1.1
253.12241	2.1
255.13695	1.8
263.17886	0.9
265.15707	0.5
265.19467	1.7
269.18903	0.6
273.14874	0.8
275.17920	1.8
279.13956	0.8
279.20938	1.0
281.15201	0.6
283.16742	0.6
289.19370	2.5
291.21188	0.8
293.15631	0.7
293.18927	1.8
295.17029	0.7
307.20447	6.1
309.18637	0.6
309.22043	0.8
311.19986	2.9
317.18890	4.1
325.21552	4.4
327.23334	0.6
335.19949	19.5
337.21527	5.3
343.22638	2.0
353.21011	35.7
354.21216	0.9
355.22589	8.8
371.22086	52.1
372.22296	1.7
373.23639	53.7
374.23987	2.3
376.31033	0.5
389.23135	90.2
390.23434	3.1
407.24188	28.3
408.24493	1.0
499.30402	1.8
515.30005	0.6
533.30927	3.8
536.28088	0.5
551.31921	1.0
584.30963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.655
Annotation	Unknow
Peak:m/z	Relative Intensity
77.06009	0.5
79.05478	4.1
81.07033	6.7
83.04969	5.6
83.08583	0.6
85.02891	31.4
85.06529	10.4
86.03203	0.4
87.04449	100.0
88.04776	0.6
91.05455	3.3
92.08637	0.7
93.03384	0.5
93.07021	7.8
95.04946	2.3
95.08591	6.0
99.04436	2.9
105.07012	7.2
107.08572	7.8
108.03063	0.4
109.06506	0.6
109.10165	3.3
111.04429	8.8
111.08082	0.4
113.05991	2.1
115.07581	1.8
117.05446	0.4
117.06998	2.9
119.04916	0.6
119.08569	4.5
121.06508	0.7
121.10120	6.8
123.04437	0.4
123.11706	0.4
125.05962	7.0
129.05449	7.4
129.06978	1.2
131.08546	5.5
133.06483	0.5
133.10088	7.1
135.08072	0.5
135.11676	9.6
141.06972	0.4
143.07010	4.0
143.08507	2.9
144.09329	0.5
145.10114	8.0
147.07967	0.4
147.11671	6.6
149.13234	1.5
151.07567	1.4
151.11165	1.6
153.05466	5.5
155.07011	2.2
155.08551	1.6
157.10086	3.3
159.08075	0.5
159.11678	7.4
161.09564	0.4
161.13234	4.7
163.07576	0.6
163.11166	0.6
165.09151	1.4
167.07033	0.6
169.10077	2.1
171.11670	2.2
173.13260	1.9
175.03984	0.4
175.11230	0.5
175.14798	3.6
175.30049	0.4
177.09093	0.8
179.75542	0.4
181.10114	0.6
183.11656	2.3
185.13213	5.3
187.11154	0.7
187.14795	3.0
189.09152	0.8
189.12665	0.5
189.16286	1.2
195.11670	0.8
197.13206	2.7
199.14795	3.3
201.12744	0.4
201.16325	4.0
203.17981	0.6
205.12160	0.7
207.06592	0.5
207.11737	0.6
207.13835	0.5
209.13162	1.6
211.11200	0.6
211.14812	2.2
213.12711	0.8
213.16405	2.0
215.17929	1.8
217.12222	0.4
223.14792	1.4
225.12720	0.4
225.16316	1.4
227.17862	0.5
229.12209	1.9
231.13776	4.3
235.14917	0.6
237.16335	1.3
239.14240	0.6
241.12273	0.5
243.13745	1.8
245.15411	0.6
249.16461	0.6
251.17879	0.8
253.19519	0.6
257.15369	2.6
277.19543	0.8
279.17773	0.4
279.20999	2.1
281.22510	0.4
283.16782	0.5
291.21021	1.3
293.22565	6.6
295.20395	0.5
309.22134	0.5
311.23685	1.4
319.20462	0.5
321.22131	4.9
327.23001	0.4
330.12039	0.4
337.21542	6.3
339.23132	41.7
340.23587	1.8
353.20810	0.4
355.22610	11.0
356.22980	0.8
357.24179	32.1
358.24667	0.8
367.98227	0.4
373.19894	0.4
373.23676	25.0
374.24033	3.7
375.25232	46.9
376.25729	1.2
389.23438	0.7
499.30286	2.4
517.31561	6.9
533.30957	7.8
534.31323	1.8
535.32587	11.6
979.19916	0.4
985.64984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	0.4
81.07059	0.4
83.04963	0.3
85.02882	1.0
85.06518	2.7
87.04462	1.3
91.05477	1.3
93.07036	1.0
94.02180	0.3
95.04944	6.1
95.08598	0.6
96.05286	0.5
97.02908	0.2
101.07231	0.2
105.07018	1.0
107.08596	1.5
109.06508	0.3
109.10152	0.3
113.05986	13.8
114.06309	2.0
119.08559	0.6
129.06990	0.2
131.08577	1.3
133.10126	0.4
135.11711	0.3
137.09636	0.3
145.08588	2.9
145.10112	1.5
147.11731	0.5
157.10109	0.5
159.11714	0.5
165.09103	1.5
173.13190	0.3
181.10121	0.4
183.11569	0.3
185.13142	0.3
189.09106	0.3
207.06538	0.4
260.86884	0.3
325.38748	0.3
335.19885	0.4
337.21582	0.6
340.63104	0.3
353.21262	0.4
355.22513	1.3
371.22162	0.5
373.23834	2.3
374.24063	0.4
385.12701	0.3
387.21603	6.3
388.21823	4.1
389.22662	2.7
390.23074	0.8
391.24423	1.1
409.19870	1.2
420.59781	0.3
431.58969	0.2
480.24139	0.3
553.27631	100.0
554.27710	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	1082.6398
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	2.5
81.03404	0.8
81.07034	7.6
83.04986	2.2
83.08616	2.6
83.24194	0.5
85.02890	5.5
85.06522	16.3
85.07007	0.8
87.04433	4.5
87.07369	0.5
91.05457	4.7
93.07006	3.9
93.48098	0.5
95.04321	1.2
95.04942	37.6
95.08585	3.9
97.02882	1.2
101.06022	0.6
101.61311	0.5
105.06994	6.0
107.08582	6.1
109.02878	0.7
109.06494	0.9
109.10150	3.2
113.05989	100.0
115.05403	0.7
117.07025	1.3
119.04901	1.3
119.08546	5.2
121.10102	3.5
123.11696	0.6
125.06030	0.7
127.03913	1.2
128.06134	0.8
129.06992	2.5
131.04951	0.6
131.08551	4.9
133.10138	4.0
135.11671	2.7
137.05949	2.1
141.07004	1.3
143.08537	4.0
145.04973	3.3
145.06641	0.8
145.08575	20.9
145.10124	3.3
147.08047	0.5
147.11671	4.4
149.13235	1.3
155.08524	2.4
157.10118	2.7
159.07964	0.7
159.11662	5.4
161.13245	3.0
163.03876	2.3
163.07524	0.8
165.09073	0.8
167.08521	1.3
169.10054	1.2
171.11639	2.6
173.05920	1.3
173.13182	1.4
175.07550	1.3
175.14786	5.7
177.05415	0.9
177.09097	0.7
179.08549	0.7
180.09413	0.6
181.10092	2.6
183.11667	1.3
185.13174	0.9
187.07587	0.7
187.11105	0.7
187.14784	0.7
189.09081	3.8
191.06927	0.5
195.11711	1.2
197.13289	2.2
198.21494	0.6
199.14845	0.9
201.09076	2.3
201.16376	0.7
209.13203	1.0
211.11195	0.8
211.14856	0.6
213.09163	2.1
215.10722	3.4
225.09105	2.3
226.92987	0.6
227.10623	2.6
229.12173	0.7
233.13394	0.7
237.69185	0.6
239.10818	1.1
241.12204	1.0
253.12173	5.3
253.97208	0.6
255.13530	0.6
267.13727	1.3
275.17892	1.1
279.13779	0.8
279.21075	1.0
289.19434	2.7
307.20462	1.3
317.19052	2.3
323.19922	3.1
325.11197	1.3
325.21738	2.3
335.19998	21.9
336.20282	0.8
341.21106	5.4
353.21027	23.1
370.06024	0.6
371.22101	63.0
372.22440	1.0
373.23810	0.7
387.21796	0.7
389.23145	68.5
424.22556	0.6
489.53195	0.6
515.29889	1.3
533.30756	3.5
610.82465	0.7
846.07910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.6399
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04465	0.2
77.06019	0.4
79.05469	3.5
81.03407	0.1
81.07030	5.6
83.04958	5.4
83.08608	0.6
85.02884	23.6
85.06522	8.4
86.03247	0.2
87.04444	73.8
88.04777	0.6
91.05451	3.9
92.05791	0.1
93.03362	0.2
93.07015	6.2
95.04937	1.2
95.08579	4.5
97.06509	1.2
99.04429	3.2
101.06001	0.4
105.07008	6.7
107.04922	0.7
107.08572	5.6
109.06498	1.9
109.10135	1.7
111.04418	11.4
111.08091	0.4
112.04789	0.1
113.05974	0.8
115.05418	0.2
115.07540	1.8
115.08272	0.1
117.05514	0.8
117.06986	1.7
119.04929	0.2
119.07698	0.2
119.08551	5.4
121.06477	0.6
121.09251	0.1
121.10118	3.6
123.08034	0.5
123.11673	0.1
125.05962	8.6
125.09612	0.3
128.06152	0.2
128.07021	0.1
129.05452	8.1
129.06886	1.4
130.07797	0.1
131.08530	4.2
133.06441	0.3
133.10097	4.8
135.04413	0.1
135.08002	0.7
135.11668	1.9
137.05954	0.5
137.09636	0.4
139.03891	0.4
139.07452	0.2
141.06972	0.5
142.07729	0.2
142.68929	0.1
143.07024	3.8
143.08540	2.8
144.09340	0.2
145.06462	0.2
145.10098	5.4
147.04327	0.1
147.07996	0.5
147.11662	4.6
148.11996	0.1
149.05914	0.1
149.09622	0.4
149.13203	0.9
151.07491	0.2
151.11171	0.2
153.05438	9.1
154.05780	0.2
154.07596	0.1
155.07019	5.7
155.08510	1.3
157.10104	2.7
159.08022	0.6
159.11653	5.7
160.09682	0.2
161.08096	0.6
161.09601	0.7
161.13196	2.0
163.07535	0.5
163.11153	0.2
163.14714	0.1
165.06934	0.2
165.09108	0.5
167.06993	0.5
167.08566	0.5
169.10066	1.5
171.11624	2.0
173.09589	1.0
173.13211	1.7
175.03784	0.2
175.07552	0.4
175.11411	0.4
175.14777	13.7
176.15140	0.2
177.09018	1.2
177.12901	0.1
178.10693	1.2
179.07011	0.2
179.08438	0.2
179.10719	0.1
181.08559	0.6
181.10107	1.3
182.10738	0.1
183.08083	0.1
183.11659	2.1
185.09587	0.2
185.13210	2.6
186.13748	0.1
187.07579	0.1
187.11211	0.6
187.14767	1.8
189.07646	0.1
189.09116	1.1
189.12831	0.1
189.16330	1.9
191.10657	0.4
191.14236	0.1
193.08549	0.1
193.10117	0.4
194.10921	0.1
195.11659	1.3
197.09610	0.4
197.13235	1.6
199.11198	0.6
199.14777	2.5
201.09116	0.4
201.12729	0.5
201.16338	6.7
202.16780	0.1
203.10681	0.5
203.14339	0.2
203.17957	0.7
205.12125	0.2
207.06482	0.4
207.10081	0.3
207.11736	0.4
208.12430	0.1
209.09563	0.2
209.13232	1.2
211.11134	0.5
211.14778	1.1
213.09113	0.1
213.12720	0.5
213.16350	1.1
215.10760	0.6
215.14311	0.5
215.17882	1.5
217.12170	0.7
217.15768	0.1
219.13744	0.2
221.13301	1.0
223.11131	0.2
223.14751	0.9
225.16353	0.8
227.10645	0.7
227.14313	0.2
227.17941	0.5
229.12102	0.9
229.15828	0.1
231.13744	0.2
231.17258	0.1
235.14876	1.4
236.15866	0.1
237.12663	0.4
237.16351	0.6
239.14337	0.3
239.17953	0.1
241.12167	0.6
241.15810	0.1
243.13855	0.7
245.15378	0.1
247.13153	0.1
249.16280	0.8
251.14351	0.1
251.17897	0.7
253.15973	0.1
253.19499	0.8
255.13754	1.1
257.15350	0.6
259.13226	0.4
263.14355	0.1
263.17923	0.2
267.13794	0.1
267.17175	0.1
269.15332	0.4
273.14697	0.6
275.18124	0.1
276.18607	0.2
277.19461	1.6
281.15216	1.2
281.22519	0.1
287.16452	0.1
291.17706	0.2
291.20981	2.4
293.22604	0.4
295.16888	0.4
295.20541	0.7
301.19489	0.6
307.20380	0.1
309.18427	0.4
309.22107	1.8
311.23721	0.2
313.21518	0.2
319.20496	2.2
327.23166	0.6
329.24719	0.1
335.20032	0.2
337.21536	13.7
338.21863	0.5
355.22589	36.0
356.22974	1.4
371.22018	0.2
373.23639	100.0
374.24008	5.6
375.24600	0.1
387.30194	0.1
389.23087	0.5
390.26193	0.9
391.24805	0.6
414.26221	0.6
483.27264	0.1
501.28387	0.5
515.29803	0.2
533.30975	21.1
534.31305	1.4
550.33405	1.4
551.33490	0.2
574.33502	0.4
745.45996	0.1
909.98468	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	1080.521
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05470	3.0
81.03401	9.3
81.07044	2.3
83.01321	0.5
83.04976	2.7
83.08619	0.2
85.02889	100.0
85.06524	3.3
86.03233	0.6
87.04456	4.2
91.03930	7.3
91.05462	1.8
92.08698	0.4
92.47849	0.1
93.07014	1.7
95.04945	40.7
95.08571	1.8
97.02869	31.8
97.06507	8.4
98.03209	0.1
99.04431	5.9
101.02351	0.8
101.05989	0.5
103.03920	1.3
103.05434	0.2
105.07004	2.6
107.04942	0.6
107.08598	1.7
109.02866	10.8
109.06510	1.7
109.10137	1.0
111.03712	0.2
111.04427	2.2
113.05988	92.4
114.06318	0.8
115.03903	1.5
115.05466	0.1
115.07531	0.2
117.03335	0.1
117.05508	0.2
117.07007	0.8
119.04923	0.2
119.08574	1.6
121.06470	1.0
121.10116	1.2
123.04372	0.9
123.08039	0.5
123.11626	0.1
125.02313	0.3
125.05949	0.2
127.03890	28.3
127.07538	1.3
128.04248	0.1
128.06143	0.2
129.05441	1.4
129.06969	0.7
131.08560	1.8
133.06488	0.6
133.10100	1.4
135.04391	0.7
135.11700	1.0
137.05952	1.7
137.09572	0.6
139.07472	0.2
141.06975	0.2
143.08553	1.4
145.04942	37.4
145.08575	5.1
145.10069	1.6
147.04482	0.2
147.08023	0.6
147.11685	2.1
149.05981	1.1
149.13245	0.6
151.03806	0.2
151.07555	0.3
153.05431	0.7
155.07066	0.3
155.08546	0.7
157.06567	0.2
157.10083	1.2
159.08041	0.2
159.11673	2.0
161.05949	0.5
161.13226	1.9
163.03816	0.5
163.05986	13.4
163.07462	0.7
165.05432	0.2
165.09090	0.6
167.07002	0.9
167.08447	0.2
168.09384	0.2
169.10078	0.7
171.11620	1.0
171.22960	0.2
173.13217	0.7
175.07509	1.6
175.14816	0.6
177.05424	0.6
177.09061	0.3
179.06958	0.8
181.06982	0.2
181.08531	0.2
181.10068	0.3
183.11673	1.4
185.08131	0.2
185.13211	0.5
187.07529	0.3
187.14743	0.3
189.07539	9.2
189.09042	0.7
191.06934	0.2
193.08549	0.3
195.06496	0.3
195.11636	0.5
197.13237	0.6
199.11176	0.2
199.14900	0.5
201.09047	0.2
201.16368	0.5
203.10626	0.5
207.10078	0.2
209.07874	0.2
209.09605	0.6
209.13228	0.6
211.11168	0.5
211.14792	0.6
213.07568	0.6
213.12961	0.1
213.16425	0.5
215.17937	0.7
217.12286	0.5
221.08151	0.4
221.13219	0.3
223.11185	0.2
223.14734	0.2
225.12801	0.1
225.16420	0.2
227.10667	1.5
227.14207	0.2
229.07260	0.1
229.12262	1.5
231.08673	0.5
231.71643	0.1
235.14839	0.5
237.16220	0.2
239.09018	2.4
241.07036	0.2
241.12114	0.9
243.13808	0.6
244.68340	0.1
249.11137	0.3
249.16315	0.3
251.17885	0.3
253.07066	0.3
253.19418	1.1
255.13681	1.1
257.10153	6.3
263.17847	0.2
269.15076	0.3
271.08093	1.0
271.20523	0.2
275.11191	5.0
277.19373	0.6
281.22766	0.1
289.09125	2.6
291.20895	1.2
295.16949	0.2
301.19391	0.2
307.10025	0.2
307.13840	0.2
309.22018	0.8
319.20401	1.3
325.11234	22.2
326.11624	0.2
337.21555	13.1
338.21896	0.5
355.22598	12.7
356.22821	0.6
373.23657	20.7
374.23746	0.6
379.29590	0.2
397.23987	0.1
415.24597	1.0
433.25760	15.4
434.25864	0.3
437.16190	1.1
487.16153	0.2
499.30142	0.1
517.31219	0.6
577.33344	0.3
645.58624	0.1
787.12744	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	1080.521
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56194	0.2
77.92909	0.2
79.05472	3.5
81.03400	8.2
81.07035	2.5
83.01330	0.8
83.04968	3.1
83.08607	0.3
85.02885	100.0
85.06517	4.2
86.03248	0.3
87.04448	4.7
91.03925	6.3
91.05461	2.1
93.07024	2.2
95.04942	45.2
95.08594	1.5
97.02863	29.2
97.06503	8.4
97.07410	0.2
99.04428	4.5
99.08048	0.2
100.93308	0.2
101.02347	0.9
103.03911	0.8
105.07005	3.3
107.04916	0.9
107.08575	2.5
109.02861	8.6
109.06494	1.5
109.10151	1.9
111.04430	1.7
113.05983	77.3
114.06320	0.4
115.03905	1.4
117.03331	0.2
117.07005	1.1
119.04898	0.3
119.08555	2.0
121.06487	1.2
121.10083	1.5
123.04366	0.3
123.08031	0.3
125.02366	0.3
125.05956	0.3
127.03888	26.6
127.07511	1.1
128.06209	0.3
128.89900	0.2
129.05450	1.0
129.06984	1.1
131.08553	2.0
131.29385	0.2
133.10089	1.6
135.04407	0.7
135.08049	0.3
135.11658	1.6
137.05978	1.7
139.07541	0.3
141.07001	0.4
143.08549	1.5
145.04932	40.1
145.08572	6.4
145.10045	2.1
147.08002	0.8
147.11670	3.1
149.05951	0.8
149.13211	0.9
151.03880	0.2
153.05455	0.3
155.08510	0.7
157.10107	2.0
159.08069	0.3
159.11665	3.4
161.05977	0.2
161.13222	2.2
163.05980	13.8
163.07466	0.8
165.09099	0.3
167.06993	1.0
167.08310	0.2
169.10074	1.0
171.11644	0.8
173.09634	0.2
173.13199	0.9
175.07527	2.6
175.14798	0.4
177.05537	1.3
177.09012	0.3
179.07033	0.8
181.07094	0.3
181.10057	0.9
183.11642	1.6
185.09604	0.4
185.13205	1.1
187.14705	0.2
189.07530	6.1
189.09125	0.7
191.06984	0.2
193.08580	0.4
193.12192	0.2
195.11653	0.9
197.13243	1.1
199.11098	0.2
199.14815	0.9
201.09085	0.3
201.12569	0.2
201.16368	0.4
203.10675	0.4
209.13214	0.8
211.11153	0.4
211.14809	0.9
213.07404	0.3
213.16310	0.8
215.10638	0.4
215.17935	1.3
217.12175	0.2
221.07982	0.4
223.10919	0.2
223.14859	0.2
227.10614	1.6
227.14145	0.3
229.12199	2.4
231.08543	0.9
231.17439	0.3
235.14752	0.3
239.09039	2.3
241.12225	1.1
243.13708	0.7
247.13202	0.3
249.16199	0.3
251.17816	0.2
253.19429	1.3
255.13776	0.4
257.10172	4.4
271.07990	1.0
275.11185	3.6
277.19336	0.8
279.16977	0.2
281.15192	0.4
289.09122	2.9
291.20944	1.2
301.19464	0.3
307.13745	0.3
309.22043	1.1
319.20477	1.8
325.11218	37.5
326.11447	0.3
327.23093	0.2
337.21539	15.6
355.22589	13.5
356.23032	0.2
373.23651	19.8
374.24054	0.3
375.12830	0.2
397.23392	0.3
415.24606	0.7
433.25757	14.3
434.26056	0.2
437.16302	0.3
487.16382	0.3
517.31403	0.8
590.23871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.6089
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04479	0.1
79.05485	1.2
81.07045	2.0
83.04970	1.3
85.06525	7.4
87.04450	2.1
91.05453	2.1
93.07025	2.2
95.04946	20.2
95.08588	1.5
101.05991	0.5
105.07012	3.3
107.04943	0.2
107.08582	1.7
109.06509	0.5
109.10145	0.7
111.08081	0.2
113.05988	52.5
114.06329	0.6
115.05430	0.2
117.07001	1.8
119.04898	0.2
119.08556	2.3
121.06478	0.6
121.10078	1.0
123.04417	0.1
123.08080	0.2
125.09646	0.2
127.07528	0.2
128.06200	0.1
129.06963	1.2
131.08549	3.9
133.06439	0.2
133.10101	1.5
135.08022	0.5
135.11661	0.9
141.06985	0.4
142.07768	0.2
143.08534	1.4
145.06544	0.6
145.08586	8.0
145.10109	3.0
147.07986	0.9
147.11671	2.1
149.05984	0.3
149.09590	0.2
149.13231	0.2
151.07526	0.2
155.08530	1.0
155.63737	0.1
157.06496	0.5
157.10095	1.8
159.08060	0.9
159.11665	4.5
161.09602	0.7
161.13229	1.6
162.11223	0.8
163.07506	1.1
163.11157	0.2
163.14793	0.6
167.08521	0.2
169.10068	1.2
171.08008	0.6
171.11673	1.1
173.09662	0.4
173.13210	3.7
174.13980	0.1
175.07518	1.7
175.11192	0.5
177.09100	0.5
179.07027	2.4
179.08498	0.2
181.10080	0.8
183.08051	0.1
183.11658	0.6
185.09607	0.6
185.13213	0.2
187.07559	0.7
187.11229	0.1
189.08971	1.3
189.12730	0.2
191.06969	0.5
193.10126	0.3
195.11624	0.8
197.09644	0.5
197.13226	0.5
199.07584	0.2
199.11143	0.4
199.14813	0.2
201.09079	0.2
201.12776	0.2
203.07045	0.7
203.10689	0.2
205.08586	0.7
207.06497	0.1
207.11668	0.5
209.13208	0.2
211.11142	0.2
213.09094	1.6
213.12727	0.2
215.10643	0.8
215.14273	0.1
219.11665	0.5
219.13693	0.1
221.13240	0.6
223.11230	0.1
223.14743	0.2
225.09120	0.5
225.12697	0.2
227.10605	0.9
227.14168	0.1
229.12216	0.2
231.10036	1.8
233.13364	0.2
235.14688	0.4
237.09175	0.2
239.10625	0.5
239.14351	0.2
241.12045	0.2
243.10045	0.2
245.13519	0.1
249.12927	0.2
249.16368	0.5
251.10712	0.2
251.17778	0.1
253.12155	0.2
255.10265	0.2
259.13068	0.2
263.10614	0.2
263.14459	0.1
263.17932	0.5
265.12146	0.2
265.15756	0.2
267.13739	0.1
273.16562	0.2
277.12210	0.6
277.19336	0.4
279.13696	0.1
281.15479	0.2
287.17932	0.5
291.13770	0.2
291.17340	0.2
293.15305	0.2
295.13403	0.2
295.16663	0.1
305.19031	0.8
307.16891	0.6
309.18497	0.4
323.16623	0.2
323.20050	1.8
333.18430	2.2
351.19446	3.2
356.83313	0.1
369.20474	2.4
371.22086	0.5
387.21579	100.0
388.21869	3.1
428.24225	0.5
499.26932	0.2
548.32251	0.2
586.11700	0.1
622.32129	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	1078.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	33.3
81.03403	22.1
81.07042	32.1
83.08598	2.4
91.05463	27.6
93.07027	40.2
95.04932	12.7
95.08588	26.1
103.05449	2.6
105.07008	22.5
107.04954	2.7
107.08568	15.2
109.10129	8.5
117.07003	7.1
119.08563	16.3
121.10125	21.5
123.04374	2.3
123.11726	1.9
129.06995	3.0
131.08531	11.5
133.10100	8.2
135.04382	2.7
135.84476	1.6
145.02831	2.3
145.06436	1.7
145.10115	7.0
147.04401	3.4
147.11626	8.3
149.09616	8.9
155.08450	2.0
157.06500	3.4
157.10117	2.3
159.04384	16.1
161.02295	6.8
163.03873	37.3
169.06519	1.9
173.02290	22.8
173.05974	7.6
175.03870	3.4
185.05975	8.1
187.03860	27.9
189.05345	2.1
197.05957	1.9
199.03918	13.1
199.07538	2.1
201.05446	6.5
207.23155	1.7
211.07494	2.6
213.05463	24.6
215.06989	3.6
223.10997	1.9
241.12321	1.9
267.13763	16.5
283.13254	9.6
285.14612	2.6
293.11679	3.2
311.12668	6.8
311.16263	2.5
313.14258	3.2
327.15750	2.6
333.24228	1.9
335.25665	8.1
337.14294	2.2
355.15329	18.3
357.16940	2.3
373.16437	2.5
381.67538	1.8
429.19019	48.7
447.19843	2.7
457.35678	1.6
587.36993	2.1
597.36035	2.8
615.36450	6.8
633.37421	8.8
679.42126	16.6
689.40375	44.6
707.41449	100.0
711.71808	2.1
881.45923	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	1055.6055
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06538	0.2
86.06882	0.1
93.07021	0.2
95.04940	1.0
95.08575	0.1
96.05267	0.2
103.22060	0.1
105.07005	0.3
111.04393	0.1
113.05998	2.5
114.06325	0.6
116.78300	0.1
119.92030	0.1
145.08548	0.2
167.06790	0.6
187.02551	0.1
206.36073	0.1
213.87466	0.1
225.52148	0.1
355.22906	0.2
373.23764	1.0
374.24063	1.2
375.24261	0.7
376.24570	0.4
400.14059	0.1
537.29480	0.1
539.29730	100.0
540.30127	3.2
540.56238	0.1
580.32269	1.7
730.51556	0.1
986.47363	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.26174	0.4
52.97367	0.4
53.03947	0.6
53.34882	0.4
56.96560	2.2
63.45711	0.4
65.03630	0.5
65.03931	7.0
67.05479	2.4
67.05834	0.5
67.38947	0.4
67.77616	0.4
70.96274	0.6
74.14033	0.5
78.89132	0.5
79.05476	17.8
83.18516	0.5
84.01549	2.3
89.45231	0.5
91.05461	91.5
92.06229	1.8
93.02057	2.9
95.04957	1.1
105.07014	38.2
106.04192	0.6
107.04949	6.4
107.08577	100.0
108.08923	0.9
109.06500	28.6
115.33357	0.5
119.06045	12.3
119.15250	0.5
120.27847	0.5
124.05202	1.2
124.87106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
75.64400	0.1
81.07038	0.2
85.02890	0.1
92.08752	0.9
92.09388	0.4
95.04932	0.2
113.05990	0.9
114.06246	0.1
167.06821	0.5
373.23846	0.3
374.24152	0.2
395.21921	1.0
527.09424	0.1
537.28119	0.2
538.28589	0.2
539.29688	100.0
540.30078	2.4
574.17035	0.1
832.70062	0.2
877.24457	0.2
903.40918	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	1055.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02525	0.1
81.07039	0.1
83.04964	0.1
85.06541	0.6
86.06875	0.1
87.26536	0.1
91.05470	0.1
93.07017	0.1
95.04945	1.3
95.08597	0.1
95.19617	0.1
96.05291	0.3
96.63186	0.1
105.07037	0.1
107.08562	0.2
113.05989	3.1
113.06744	0.1
114.06316	0.9
115.06454	0.1
116.06692	0.1
118.26250	0.1
121.10178	0.1
125.06007	0.1
126.06315	0.1
133.10127	0.1
145.08586	0.5
145.10117	0.1
146.08910	0.2
146.10478	0.1
147.09190	0.1
153.05443	0.2
156.07414	0.1
159.11655	0.2
167.06804	0.4
167.56871	0.1
183.11888	0.1
266.10715	0.1
337.21677	0.3
338.21927	0.2
339.22180	0.1
355.22519	0.3
356.23038	0.3
357.23297	0.3
373.23853	0.8
374.24026	1.4
375.24384	1.1
376.24631	0.5
395.21628	0.5
413.23038	0.1
519.32574	0.1
539.29694	100.0
540.30060	3.9
541.30255	0.1
557.31146	0.1
580.32355	1.8
581.32867	0.1
683.37433	0.1
796.44574	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	1055.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
75.65884	0.1
81.07029	0.1
85.06516	0.2
89.45485	0.1
95.04938	0.6
96.05273	0.1
103.61702	0.1
103.91022	0.1
107.08536	0.1
112.48167	0.1
113.05993	1.2
114.06324	0.3
123.94563	0.1
127.47349	0.1
133.10159	0.1
145.08583	0.3
167.06789	0.6
185.07816	0.1
237.94341	0.1
257.33749	0.1
339.22943	0.1
340.04947	0.1
355.22748	0.1
373.23636	0.3
374.24023	0.4
375.24591	0.4
376.25165	0.3
395.22018	0.6
537.28351	0.5
538.28076	0.6
539.29681	100.0
540.30023	3.4
541.30334	0.3
557.30920	0.3
580.32440	1.3
800.80804	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	1055.6075
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	0.1
79.59903	0.1
81.07025	0.1
85.06522	0.3
91.05469	0.1
93.07017	0.1
95.04944	1.2
95.08580	0.1
96.05239	0.2
105.06991	0.1
107.08538	0.1
113.05982	3.0
113.06749	0.1
114.06319	0.9
115.06431	0.1
125.05963	0.1
133.10114	0.1
145.08571	0.5
145.10184	0.1
146.08923	0.2
153.05501	0.1
167.06747	0.2
175.14809	0.1
337.21463	0.1
338.21976	0.1
339.22150	0.1
341.24875	0.1
355.22665	0.1
356.23047	0.2
357.23380	0.1
359.25845	0.2
373.23569	0.7
374.23975	0.9
375.24207	0.7
376.24747	0.4
377.24832	0.1
390.32202	0.1
395.21878	0.8
413.22906	0.1
476.48212	0.1
486.79510	0.1
539.29675	100.0
540.30054	3.2
541.29901	0.1
550.29688	0.1
557.30377	0.1
578.89569	0.1
580.23828	0.1
580.32312	1.7
672.91333	0.1
795.94678	0.1
797.43536	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	1055.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06535	0.3
95.04951	0.5
103.38030	0.1
105.07034	0.1
111.04455	0.1
113.05993	1.6
114.06316	0.3
129.01181	0.1
145.08606	0.4
152.80023	0.1
167.06740	1.0
266.36533	0.1
373.23557	0.5
374.24057	0.3
375.24011	0.1
395.21838	0.4
462.01273	0.1
517.31311	0.1
518.31616	0.1
519.31189	0.1
539.29700	100.0
540.30029	3.7
541.30591	0.4
541.39331	0.1
557.30817	0.4
565.21075	0.1
580.32373	1.7
675.42017	0.1
785.11725	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	1055.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	0.1
81.07026	0.2
85.06527	0.5
86.22776	0.1
87.04446	0.1
91.04018	0.1
93.07001	0.1
95.04954	0.8
96.05299	0.1
105.07018	0.1
107.08589	0.1
113.05983	2.7
114.06287	0.7
124.24245	0.1
131.08533	0.1
133.10039	0.1
135.11664	0.1
145.08571	0.6
146.08980	0.1
161.13266	0.1
167.06740	0.8
185.07912	0.1
185.13118	0.1
202.58612	0.1
205.67918	0.1
215.56654	0.1
218.88382	0.1
339.23026	0.2
340.23734	0.1
355.22644	0.1
357.23685	0.1
358.24268	0.1
373.23654	0.4
374.23959	0.5
375.24847	0.5
376.25436	0.4
377.25494	0.1
395.21835	0.7
405.89410	0.1
537.28125	0.3
538.28650	0.1
539.29694	100.0
540.30042	3.3
541.29932	0.2
557.30750	0.1
580.32208	1.4
581.32288	0.1
1069.03809	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	1054.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04450	0.3
75.31349	0.1
79.05453	0.3
81.03399	0.1
85.02890	1.8
87.04444	1.0
88.26853	0.1
89.03886	0.1
91.05452	1.4
92.95654	0.1
93.07016	0.3
95.04940	0.6
95.08604	0.1
96.07775	0.1
97.02865	1.4
99.04435	0.1
102.04637	0.1
103.05472	0.5
104.06213	0.1
104.54119	0.1
104.83611	0.1
105.07004	1.2
106.04185	0.1
107.04926	0.5
107.08598	0.1
109.02904	0.1
109.06489	0.4
113.06011	0.7
115.03921	1.1
115.05441	1.4
116.06241	0.1
117.06999	1.1
118.03398	0.1
118.04139	0.5
119.04899	0.4
119.08549	0.5
121.06474	1.8
121.10094	0.3
123.04452	0.2
123.08038	3.5
125.05960	0.1
127.03844	0.3
129.03325	0.6
129.07077	0.1
129.34441	0.1
130.04074	0.2
131.04900	1.0
131.08563	0.1
132.05690	0.9
133.02841	0.1
133.04994	1.2
133.06462	6.2
133.10083	0.1
134.07167	0.1
135.07994	0.1
136.05177	0.4
137.05940	0.4
137.09560	0.2
138.06679	0.6
139.07529	0.4
143.08585	0.1
144.05637	0.1
145.02844	0.1
145.04964	0.3
145.06462	1.7
146.07280	1.2
147.04404	0.3
147.08029	3.1
148.05176	0.1
148.08797	0.2
149.05965	1.6
149.09569	0.6
150.06546	0.1
150.07611	1.4
151.03935	0.1
151.07523	4.1
151.11113	0.1
160.05159	0.9
161.05949	26.5
162.06746	1.0
163.03835	0.2
163.06172	0.1
163.07500	2.7
164.08304	1.2
165.05466	0.1
165.09135	0.1
167.07063	0.1
172.19594	0.1
174.06754	0.5
175.07515	6.6
176.08295	93.8
177.05440	4.3
177.09055	5.9
178.06139	0.1
178.09821	0.5
179.07042	0.4
179.10652	1.5
181.08664	0.5
181.12170	0.2
189.09096	0.2
191.07001	0.5
192.07780	6.2
197.35188	0.1
204.07863	0.1
205.08444	0.1
207.10136	100.0
208.10457	0.9
209.11697	0.5
219.10109	0.4
221.11710	0.1
225.11330	0.1
225.14812	1.2
227.10553	0.1
251.12555	0.1
335.19873	0.1
353.20978	0.1
357.18991	0.1
371.22354	0.5
389.23141	0.7
418.69772	0.1
519.24200	0.1
536.23260	0.2
662.21777	0.1
739.53278	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	1052.6658
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06525	1.6
79.05473	1.9
81.07030	3.8
82.83932	0.4
83.04963	5.7
83.08605	0.6
85.06525	13.4
87.04451	9.6
91.05460	1.4
93.07027	3.4
95.04943	51.1
95.08561	2.5
96.05228	0.5
97.06519	0.6
99.08071	1.6
101.05974	2.7
105.07037	2.9
107.05010	0.3
107.08580	3.4
109.06496	2.3
109.10139	1.6
111.04435	0.5
113.05987	100.0
114.06305	0.7
117.07005	0.8
119.08539	2.2
121.10117	3.7
125.05958	2.5
127.07527	9.7
129.06966	0.7
130.08623	1.4
131.08537	2.1
133.10106	1.9
135.11656	4.6
143.08490	1.5
145.01752	0.3
145.08578	52.5
145.10001	2.6
147.04329	0.4
147.11667	2.3
149.13240	1.4
153.05449	2.1
155.06964	1.5
155.08417	0.5
156.32657	0.4
157.10080	1.5
159.11650	3.5
161.13242	1.6
162.11256	1.7
163.11082	0.5
169.10040	0.7
171.11687	1.4
173.13297	0.6
175.14798	0.8
177.08997	0.4
183.11613	1.5
185.13249	2.1
187.11057	0.4
187.14809	2.1
189.16306	0.4
197.13260	1.4
199.14778	0.8
201.16368	1.7
203.10699	0.4
205.12260	0.7
211.14766	0.8
213.16298	0.5
215.17964	0.4
217.12120	0.4
223.14836	0.4
225.16383	0.5
229.12267	1.2
231.13771	1.7
237.16267	0.4
243.13782	0.6
251.18140	0.4
252.33722	0.3
257.15305	1.6
279.21002	0.5
293.22610	4.4
294.05905	0.4
309.17401	2.2
310.17737	0.4
311.23831	0.6
321.22009	3.7
327.18488	1.3
337.21671	2.4
339.23074	20.1
340.23511	0.5
355.22620	3.7
357.24200	13.9
371.22147	0.5
373.23676	15.6
375.25214	48.0
376.25436	1.7
421.52966	0.4
433.26923	0.4
451.28113	1.6
465.30417	0.4
469.29410	4.1
483.30698	1.8
501.32062	7.6
517.31482	2.0
519.33069	13.9
520.33154	0.5
530.00555	0.4
532.88605	0.4
533.29443	0.7
533.79675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.574
Annotation	Unknow
Peak:m/z	Relative Intensity
75.84466	0.1
85.06492	0.3
91.05447	0.1
95.04946	0.2
105.07048	0.2
105.15161	0.2
109.16202	0.1
113.05982	1.2
132.39331	0.2
135.51596	0.2
140.99927	0.2
145.08621	0.4
175.07423	0.2
175.14746	0.2
185.17775	0.1
270.29050	0.1
371.21915	0.3
449.77090	0.2
454.03638	0.2
486.39883	0.2
537.28119	100.0
538.28485	1.6
555.29663	0.2
578.30878	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	1052.6653
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06541	0.2
79.05473	2.3
81.07042	4.0
83.04967	2.2
83.08603	0.4
85.06531	17.1
86.06862	0.9
87.04449	2.5
91.05473	2.0
92.09344	0.3
93.07027	3.9
95.04948	33.0
95.08585	3.3
96.05281	2.1
96.08955	0.2
97.06514	0.2
99.08106	0.2
101.06019	1.1
105.07012	3.9
106.07343	0.2
107.04924	0.3
107.08576	4.1
108.66991	0.2
109.06509	1.1
109.10136	2.1
111.04455	0.3
111.08051	0.3
113.05990	100.0
114.06318	6.8
115.06441	0.8
117.07003	0.9
118.07320	0.2
119.08562	2.9
121.06495	0.3
121.10119	3.7
122.10514	0.2
123.08038	0.2
123.11687	0.2
125.05975	5.2
125.06838	0.3
125.09628	0.4
126.06339	0.7
127.07523	0.4
129.06979	0.9
130.08632	0.3
131.08543	2.5
132.08902	0.3
133.10101	3.2
135.08086	0.2
135.11679	2.5
136.12025	0.2
139.03859	0.3
139.07498	0.2
141.00676	0.2
141.06989	0.2
143.08578	1.1
145.08595	19.9
145.10101	3.3
146.08928	1.1
147.11690	2.7
148.12000	0.4
149.13251	1.0
153.05446	5.9
154.05803	0.8
155.07028	2.6
155.08539	0.8
156.07394	0.2
157.10120	1.8
158.10464	0.2
159.07944	0.2
159.11653	4.3
160.12035	0.3
161.09587	0.3
161.13266	2.3
162.11183	1.4
163.07491	0.3
163.11378	0.2
167.07094	0.3
169.10095	1.3
169.99316	0.2
171.11632	1.5
173.13202	1.5
175.11220	0.2
175.14769	2.6
176.15149	0.4
177.09097	0.7
181.10098	0.8
183.11678	1.4
185.09567	0.2
185.13223	2.2
187.11154	0.6
187.14772	1.8
189.09111	0.7
189.16388	1.2
190.16829	0.2
191.10681	0.2
193.10086	0.2
195.11671	1.0
197.13228	1.4
199.11104	0.2
199.14833	1.8
200.15170	0.2
201.12669	0.3
201.16364	3.5
202.16730	1.2
203.10645	0.7
205.12204	0.7
209.13246	0.9
210.13611	0.2
211.11137	0.3
211.14835	1.0
212.15266	0.3
213.12706	0.3
213.16359	1.0
214.16771	0.2
215.17944	1.1
217.12167	0.8
221.13301	0.3
222.13570	0.2
223.14812	0.7
225.12712	0.2
227.10606	0.2
227.14282	0.3
227.17892	0.2
229.12218	0.7
231.13821	0.8
233.11557	0.2
235.14769	0.8
237.16536	0.2
239.14345	0.2
241.12083	0.3
243.13818	0.8
245.15405	0.4
249.16347	0.3
251.17955	0.6
253.19469	0.8
255.13730	0.3
257.15256	1.4
277.16718	0.2
277.19363	1.5
278.19891	0.3
279.21005	0.7
281.15366	0.3
283.17114	0.2
291.20975	0.9
292.21335	0.3
293.22610	2.1
295.20380	0.2
297.18634	0.2
303.20874	0.2
309.22021	0.8
310.22565	0.2
311.23517	0.4
313.30630	0.2
319.20493	1.1
321.22107	2.2
337.18350	0.2
337.21561	7.0
338.21927	3.7
339.23117	13.2
340.23520	0.4
355.19165	0.2
355.22610	10.3
356.22937	5.0
357.24091	7.7
373.23663	32.6
374.24020	17.4
375.25146	29.6
376.25296	0.8
379.62939	0.2
390.26746	0.3
447.20490	0.3
471.76886	0.2
483.31036	0.9
497.06030	0.2
501.32129	2.0
517.31519	2.3
518.31683	1.4
519.32880	1.7
539.29767	0.2
722.40747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.575
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07050	0.4
85.06520	3.5
87.04459	0.6
91.05469	0.3
91.09332	0.2
93.07005	0.8
95.04957	6.5
96.05302	0.4
101.19579	0.2
102.55515	0.2
105.07039	0.4
107.08531	0.4
109.06573	0.3
113.05994	19.8
114.06349	1.6
119.08553	0.4
133.10147	0.3
145.08603	3.7
145.09671	0.3
145.10159	0.3
147.11674	0.4
175.14758	1.2
239.18097	0.3
279.71088	0.3
352.70126	0.3
357.24255	1.0
371.22052	6.0
372.22443	2.3
375.25253	2.6
537.28156	100.0
538.28735	3.4
541.31226	0.4
578.30737	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	1051.5757
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05457	0.1
81.07034	0.1
85.06519	0.9
86.06851	0.1
87.04486	0.1
87.08456	0.1
91.05453	0.2
92.09340	0.1
93.07028	0.2
95.04945	1.1
96.05283	0.3
107.08588	0.1
113.05991	4.1
114.06340	0.8
115.06466	0.1
131.08501	0.1
145.08562	1.1
146.08844	0.1
161.01274	0.1
167.06850	0.6
175.07567	0.5
175.14835	0.1
176.15114	0.1
187.02872	0.1
369.21497	0.1
371.22153	1.2
372.22409	0.9
373.22888	0.7
374.23145	0.3
375.25177	0.4
393.20609	0.3
537.28137	100.0
538.28436	3.1
539.28546	0.3
578.31097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.6499
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06526	0.6
75.04456	0.2
79.05492	1.1
81.07029	1.5
83.04967	2.7
85.02890	1.8
85.06527	16.3
87.04446	2.4
91.05450	1.1
93.03368	0.2
93.07021	1.7
95.04946	32.5
95.08559	1.1
96.05177	0.1
97.06503	0.2
99.08082	0.3
99.67776	0.1
101.05989	0.7
101.36490	0.1
105.07008	1.8
107.04954	0.2
107.08582	2.3
109.06493	0.2
109.10172	0.3
111.04430	5.4
111.05160	0.3
112.07570	0.2
113.05988	100.0
114.06317	0.7
117.06985	0.3
117.28928	0.1
119.08562	1.6
121.10117	0.8
123.08043	0.2
125.05981	0.3
127.07546	0.6
130.08612	0.3
131.08493	1.0
132.40453	0.2
133.10086	1.3
135.07930	0.1
135.11659	0.3
143.08560	0.3
145.08583	20.3
145.10069	1.7
147.08035	0.3
147.11682	1.2
149.09618	0.3
149.13312	0.2
153.05464	0.3
157.10115	0.7
159.11620	1.4
161.09634	0.2
161.13319	0.6
162.11224	2.3
169.10005	0.2
171.11642	0.6
173.09599	1.0
173.13191	0.7
175.11165	0.2
175.14767	2.3
177.09048	0.2
181.10107	0.2
183.11667	0.6
185.09534	0.2
185.13286	0.3
187.11201	0.3
187.14716	0.3
189.09140	0.2
199.14784	0.3
201.16385	0.6
213.12660	0.2
213.16360	0.2
215.10529	0.2
227.17986	0.2
291.21078	0.2
337.21564	0.7
355.22562	1.7
373.23657	97.2
374.24008	3.1
386.47794	0.2
390.26413	0.3
391.24811	0.5
414.26187	0.9
485.28967	0.8
585.14453	0.2
889.98651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.6502
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06532	0.2
75.04452	0.2
79.05475	2.6
81.07036	5.0
83.04960	2.7
83.08591	0.5
85.02937	0.1
85.06525	14.4
87.04446	2.8
91.05455	2.5
91.05990	0.2
93.07026	3.5
95.04942	34.2
95.08583	2.7
96.05310	0.2
97.06490	0.5
97.10139	0.2
99.01299	0.1
99.08039	0.2
99.16157	0.1
101.06004	0.7
105.07010	3.4
107.04952	0.5
107.08576	5.4
109.06477	1.1
109.10134	1.3
111.04439	0.5
111.08076	0.5
112.07588	0.2
113.05985	100.0
114.06293	1.1
117.06958	0.9
119.08560	3.3
121.06495	0.5
121.10104	2.8
123.08014	0.2
123.11698	0.1
125.05964	9.4
125.09608	0.3
127.07520	0.2
129.06973	0.6
130.08630	0.6
131.08537	2.8
133.06479	0.2
133.10098	3.2
135.04411	0.2
135.08054	0.6
135.11656	1.5
137.05951	0.3
139.03885	1.1
139.07552	0.1
141.06982	0.3
142.06575	0.1
142.07695	0.2
143.08537	2.0
145.08586	17.6
145.10098	3.8
147.08037	0.6
147.11673	3.8
149.06017	0.2
149.13252	0.8
151.07521	0.3
151.11119	0.2
153.05444	8.7
155.07008	3.0
155.08513	1.1
156.65926	0.1
157.10103	2.4
159.08014	0.7
159.11661	4.7
161.05969	0.3
161.09581	0.6
161.13223	1.8
162.11229	2.7
163.07497	0.5
163.11192	0.2
167.06976	0.9
167.08374	0.2
169.10104	1.3
171.11635	1.2
173.09607	0.5
173.13216	1.7
175.07523	0.3
175.11177	0.3
175.14774	2.2
176.22902	0.1
177.09076	0.8
179.07037	0.6
179.08447	0.1
181.08563	0.5
181.10126	0.7
183.08054	0.2
183.11667	2.3
185.09563	0.2
185.13220	2.3
187.07596	0.2
187.11163	0.2
187.14767	1.3
189.09111	0.8
189.12753	0.2
189.16327	1.8
191.10645	0.7
193.08594	0.2
193.10133	0.2
194.11299	0.2
195.11627	1.4
197.09496	0.2
197.13231	2.0
199.11124	0.3
199.14775	1.4
201.09097	0.3
201.12697	0.6
201.16351	4.6
201.18196	0.2
203.10635	0.8
203.14288	0.2
203.17931	0.3
205.08521	0.3
205.12167	0.2
207.08192	0.1
207.10133	0.6
207.11865	0.2
209.13261	1.3
211.11314	0.3
211.14839	0.9
213.08965	0.1
213.12694	0.7
213.16338	0.7
215.10686	0.7
215.14290	0.6
215.17909	2.0
217.12201	0.8
219.13744	0.2
219.17500	0.2
221.09747	0.1
221.13199	0.7
223.11218	0.2
223.14807	0.7
225.12749	0.3
225.16385	0.7
227.10651	0.8
227.14325	0.3
227.17809	0.2
229.12170	1.3
231.13736	1.1
235.14989	1.1
237.12764	0.2
237.16382	0.7
239.14459	0.3
241.12286	0.8
243.13718	2.0
243.17424	0.2
247.12909	0.9
249.16570	0.4
251.17885	0.7
253.19455	0.7
255.13669	1.0
257.15295	0.6
259.13245	0.3
261.14743	1.6
263.17969	0.5
267.13651	0.2
269.15182	0.2
271.16937	0.2
273.14655	1.0
277.16504	0.2
277.19409	1.5
281.15347	1.0
281.22549	0.3
287.16318	0.3
289.17993	0.2
291.20981	3.0
293.22614	0.8
295.16861	0.5
295.20264	0.3
301.19418	0.3
309.18561	0.4
309.22009	2.2
311.23532	0.2
319.20526	2.7
325.21594	0.1
327.23199	0.6
337.21533	15.9
338.21863	0.2
346.41650	0.1
353.21057	0.6
354.21347	0.5
355.22592	21.3
356.23032	0.6
373.23651	85.6
374.24033	3.0
375.24353	0.2
390.26431	1.0
391.24814	0.2
414.26160	0.8
485.29059	1.1
517.31476	4.7
518.31451	0.2
534.34656	0.2
745.46637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.6495
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06541	0.3
75.04437	0.2
75.05769	0.1
79.05464	1.7
81.07034	4.3
83.04954	1.7
83.08604	2.2
85.02876	0.2
85.06525	14.0
87.04447	3.6
91.05450	1.8
93.01360	0.1
93.07021	2.0
95.04942	29.6
95.08578	5.3
96.05279	0.3
97.06517	0.3
97.10167	0.2
99.08107	0.1
101.05992	0.9
103.05465	0.2
105.03387	0.8
105.06998	2.6
107.08572	2.5
109.06486	0.3
109.10136	2.5
112.07611	0.3
113.05986	90.4
114.06318	1.1
117.06986	0.7
119.08562	2.5
121.06473	0.6
121.10118	3.2
122.71040	0.2
123.04380	0.3
123.11695	0.2
125.05995	0.2
127.07542	0.5
128.06215	0.1
129.06972	0.6
131.08531	2.3
133.06454	1.2
133.10109	1.8
135.08051	0.4
135.11671	2.3
143.08545	1.3
145.08575	19.3
145.10083	1.2
146.08858	0.3
147.08034	0.7
147.11693	1.6
149.13245	1.6
151.07512	0.9
151.66245	0.1
155.08542	0.6
157.10063	1.0
159.08067	0.2
159.11687	2.6
161.05943	1.2
161.09605	0.7
161.13226	4.3
162.11256	1.4
163.07549	1.2
163.14793	0.2
165.09024	0.3
169.10075	0.6
171.07991	0.2
171.11613	0.7
173.13240	0.8
175.07484	3.2
175.14783	2.9
177.05455	0.3
177.09029	1.0
177.16339	4.9
179.06992	10.9
181.10081	0.2
183.11705	0.6
185.13219	1.0
187.07553	0.6
187.14864	0.3
189.09062	2.6
191.10622	0.2
193.08533	0.2
195.11668	0.6
197.13345	0.3
199.14729	0.3
201.09099	1.0
203.10674	0.6
203.17950	0.3
205.08597	0.2
209.09622	0.2
209.13199	0.6
211.11186	0.2
211.14857	0.3
213.09065	0.6
213.16315	0.3
215.10661	1.1
219.10092	0.2
221.01665	0.1
223.14713	0.2
225.16267	0.2
227.10693	1.3
227.14299	0.2
229.12199	1.1
231.13779	1.1
233.11865	0.2
235.14793	0.2
241.12120	1.1
243.13835	0.8
247.13036	0.2
249.16554	0.2
253.12213	0.2
255.13739	2.4
257.15295	0.2
259.13327	0.2
269.15378	0.3
273.14691	1.7
277.19452	0.6
281.15378	0.3
291.20984	0.8
293.22269	0.2
301.19171	0.1
309.22049	0.6
312.47040	0.2
313.21536	0.3
319.20660	0.3
327.23065	0.3
335.19742	0.3
337.21552	10.3
349.84225	0.2
353.21130	0.3
355.22620	8.4
356.22769	0.2
371.22302	1.4
372.22327	0.7
373.23651	100.0
374.24091	3.2
414.26230	0.2
428.18335	0.2
499.30295	0.8
591.35852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.6761
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06524	0.8
77.05971	0.5
79.05465	3.7
81.07039	8.7
83.04969	4.6
83.08594	2.0
85.02887	25.4
85.06525	22.9
87.04448	94.0
91.05442	5.2
92.08582	0.9
93.07014	7.9
95.04944	35.5
95.08573	8.0
97.06493	0.7
99.04441	2.9
101.05972	3.4
105.06380	0.5
105.07023	9.1
107.08565	8.9
109.10136	4.5
111.04414	6.2
113.05986	100.0
114.06329	1.1
115.07528	0.9
117.06967	2.9
119.08566	7.1
121.10125	7.9
123.04427	0.5
123.11679	0.8
125.05979	2.3
127.07572	0.7
129.05444	4.8
129.07016	1.1
131.08542	9.7
133.10094	9.9
135.11662	11.8
137.05992	0.5
137.09492	0.6
141.06984	0.8
143.07054	3.6
143.08548	3.8
145.08574	44.9
145.10072	8.1
147.11664	9.8
149.09576	0.9
149.13254	3.0
151.11127	2.0
153.05327	0.5
153.09052	0.6
155.08537	2.1
157.10112	5.8
159.11661	9.1
161.13234	9.8
163.03940	0.7
163.11134	2.0
167.70859	0.6
169.10036	3.0
171.11613	5.2
173.13162	4.4
175.07489	0.6
175.11143	0.6
175.14745	2.4
177.12782	0.5
179.56830	0.5
180.75879	0.5
181.10109	0.7
183.11664	3.1
185.13199	6.0
187.11162	3.2
187.14760	5.1
189.12671	1.0
189.16325	0.8
195.11623	1.2
197.13187	4.9
199.14722	3.3
201.12688	0.6
201.16402	2.5
203.10651	0.6
203.14325	0.6
205.12260	1.7
207.13702	0.9
209.13226	1.1
211.14828	3.6
213.16367	2.3
215.14294	2.3
215.17929	3.0
221.13176	0.5
223.14833	5.0
225.16354	1.9
227.17822	2.2
231.13710	3.0
233.15573	0.5
237.16376	3.8
239.14166	0.6
239.17877	3.4
241.19493	1.9
243.13696	0.8
251.17920	2.9
253.19469	2.5
255.20941	3.8
257.15302	2.5
257.19009	4.3
262.13715	0.5
267.20929	2.7
269.18912	2.7
269.22482	3.7
279.21011	22.9
285.22125	0.7
287.19998	1.2
293.22552	5.8
297.22070	24.2
311.23544	1.2
314.95773	0.5
315.23138	37.7
316.23532	1.9
321.22177	4.7
333.24197	38.9
334.24448	0.8
339.23129	37.5
357.24158	28.2
357.28128	0.6
375.25204	49.3
376.25574	0.7
477.31970	0.6
499.30356	2.1
517.31348	6.8
535.25323	0.6
535.32593	17.4
639.31665	0.7
852.44659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.6502
Annotation	Unknow
Peak:m/z	Relative Intensity
76.11596	0.5
79.05482	2.3
81.07039	6.7
83.04958	2.5
85.06530	20.1
87.04472	2.3
91.05471	3.5
93.07027	3.0
95.04948	27.2
95.08572	3.4
98.80112	0.4
101.05961	0.5
102.90324	0.5
105.07016	5.8
107.08612	2.5
109.06495	0.8
109.10154	1.0
113.05994	100.0
116.02161	0.5
117.06986	2.0
119.08557	3.6
121.10162	0.7
129.06999	1.1
130.08650	1.0
131.08530	3.7
132.07256	0.5
133.10135	5.9
135.11705	0.7
136.09634	0.5
138.93907	0.6
141.84212	0.6
143.08562	2.2
145.08597	26.9
145.10103	5.4
147.07988	0.7
147.11714	2.4
149.13336	0.5
155.08508	1.9
157.10136	2.9
159.10570	0.5
159.11613	5.0
161.13240	2.5
162.11259	2.7
169.10074	0.6
171.11690	0.8
173.13219	0.8
175.07526	0.7
175.14825	0.6
177.09132	0.9
177.16347	1.1
179.07007	3.7
181.10168	0.9
183.11684	1.1
185.04411	0.5
185.13205	1.0
189.09044	0.7
189.16222	0.5
195.11667	0.7
197.13255	1.2
199.14864	2.1
209.13295	1.8
211.14787	0.7
227.10725	0.7
229.12225	0.8
231.13962	0.6
257.15244	0.9
269.15442	0.6
271.16888	0.9
277.19446	0.7
291.21027	1.0
293.22766	0.6
319.20578	1.2
337.21558	20.5
355.22610	22.8
373.23691	40.6
431.25699	0.6
499.30463	2.9
517.31708	5.3
724.18658	0.6
810.40533	0.7
854.41229	0.7
855.63104	0.5
965.05493	0.5
1005.45953	0.6
1032.87891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.62
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06542	0.4
75.04444	0.2
79.05473	1.5
81.07047	1.5
83.04965	2.4
85.06528	17.9
87.04446	3.6
91.05453	1.7
93.07032	2.5
95.04947	33.6
95.08583	1.5
96.05290	0.3
99.08102	0.3
101.06004	1.0
105.07014	2.4
107.04918	0.2
107.08563	3.3
109.06508	0.3
109.10130	0.3
113.05988	100.0
114.06313	0.9
117.07044	0.7
119.08552	2.3
121.06516	0.3
121.10128	1.3
127.07504	0.3
127.97667	0.2
129.07014	0.4
130.08623	0.3
131.08543	1.7
133.06430	0.2
133.10115	1.1
135.07985	0.2
135.11700	0.4
143.08531	0.9
145.08582	19.6
145.10043	1.2
147.08052	0.3
147.11662	1.6
155.08534	0.9
157.10107	1.2
158.22220	0.2
159.11700	2.0
161.13208	0.9
162.11241	1.8
163.07492	0.3
169.10101	0.4
171.11722	1.5
173.09595	0.2
173.13170	0.4
175.07480	1.1
175.14815	1.0
177.09096	0.4
179.07045	0.3
181.10069	0.3
183.11662	0.4
185.13313	0.5
187.11130	0.2
189.09055	0.3
191.10593	0.4
195.11679	0.2
197.13228	0.8
199.14902	0.3
201.09052	0.3
201.12762	0.2
203.10623	0.3
211.11301	0.2
215.10545	0.4
229.12209	0.8
231.13672	0.2
265.19458	0.4
279.20944	0.4
325.21680	0.3
335.19943	0.4
353.21014	1.1
363.88419	0.2
371.22092	92.6
372.22458	3.3
388.24841	0.2
412.24942	1.0
483.26675	0.3
494.98541	0.3
515.29846	2.7
537.28131	0.3
761.60040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
72.78852	0.2
73.06518	0.3
75.86328	0.2
79.05482	0.2
81.07038	1.0
83.04962	1.7
85.06529	21.0
87.04452	0.7
91.05465	1.2
92.08903	0.2
93.07029	1.0
95.04946	24.1
95.08574	0.5
99.08088	0.4
101.05981	0.3
105.06998	1.6
107.08591	1.1
109.06555	0.2
113.05990	100.0
114.06310	0.3
117.06997	0.3
119.08550	1.3
119.78239	0.2
127.07573	0.3
129.06975	0.9
130.08614	4.0
131.08540	1.5
133.10069	1.1
145.08580	40.3
147.11647	0.4
157.10107	0.2
159.11642	0.5
161.13159	0.2
162.11241	3.8
169.10075	0.2
171.11592	0.3
173.13193	0.3
175.07494	4.1
175.14801	2.9
183.11586	0.2
189.08997	0.3
201.98598	0.2
241.12227	0.3
335.19879	0.4
353.21106	2.1
371.22101	27.4
372.22202	1.2
392.94174	0.2
409.91663	0.2
458.95328	0.2
537.27246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
50.31134	0.0
53.24649	0.0
54.35271	0.0
58.06583	1.5
58.06874	0.1
59.07367	0.5
60.08150	17.6
79.08314	0.0
86.06055	0.0
87.04438	0.3
90.48166	0.0
92.09173	0.1
103.99069	0.0
104.10722	100.0
105.11073	0.3
105.11649	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	1042.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05470	2.1
81.03389	0.2
81.07037	3.6
83.04974	0.3
83.08604	0.9
85.02880	1.6
87.04453	0.7
91.05447	2.8
92.09175	0.8
93.07018	1.9
95.04944	0.8
95.08583	1.8
97.02866	1.5
97.06482	0.6
99.04414	0.2
99.08073	2.1
105.07014	2.9
107.04951	1.4
107.08575	12.6
109.05801	0.3
109.06503	5.6
109.10141	5.0
109.88455	0.1
115.03918	0.8
115.05428	0.7
116.98585	0.2
117.06981	1.4
119.08560	1.9
121.06474	0.7
121.10124	9.5
122.07270	2.1
123.08026	1.5
123.11655	0.3
131.08521	1.9
133.04974	0.6
133.10106	100.0
134.10451	1.0
135.06963	0.2
135.08029	11.9
135.11661	2.2
137.09595	59.6
138.09938	0.3
145.04997	0.3
145.10086	1.2
147.11673	2.1
149.09653	0.3
149.13231	14.2
151.11197	0.6
155.10626	0.7
158.10878	0.9
163.14777	2.3
173.13217	6.4
175.14789	0.8
177.05389	0.2
189.09135	0.3
191.14275	36.9
192.14534	0.2
192.70807	0.2
193.15851	1.2
209.15331	39.0
210.15710	0.3
211.16907	3.7
219.10126	0.8
227.16153	0.2
295.10446	0.2
308.16080	0.2
353.19516	0.3
371.20560	15.1
372.20926	0.2
373.22263	0.2
415.84195	0.2
505.26172	1.2
541.20239	0.7
558.43201	0.2
599.25482	0.2
782.10254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.6711
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06573	0.3
75.04459	0.7
77.06030	0.8
79.05476	4.5
81.03391	0.5
81.07041	7.2
83.04970	7.5
83.08616	1.4
85.02892	40.7
85.06532	21.5
85.07054	0.5
87.04453	100.0
88.04800	0.5
89.06004	0.5
89.60292	0.3
91.03924	0.5
91.05461	4.9
92.08611	0.5
93.07021	7.7
95.04951	2.4
95.08591	8.0
97.02888	1.6
97.06498	2.6
99.04437	5.7
101.06001	3.8
105.07018	9.0
107.08583	10.9
109.06524	0.5
109.10137	5.8
111.04429	7.8
111.08061	1.2
113.06001	3.1
115.07548	4.1
117.05468	1.8
117.06966	3.9
119.08570	7.7
121.10119	9.1
123.08001	0.4
123.11684	1.7
127.03898	1.6
128.06239	0.4
129.05449	5.4
129.06909	2.2
131.08546	11.6
133.10109	21.5
135.08086	0.5
135.11687	9.4
137.05954	0.5
137.09613	1.5
141.06996	1.3
142.07782	0.3
143.07034	9.1
143.08551	5.3
145.04962	2.5
145.10115	19.0
147.11673	9.4
149.09563	0.3
149.13283	3.1
149.14316	0.3
151.11165	19.3
153.09180	0.4
155.08551	3.0
156.09302	0.4
157.10107	7.3
159.11665	12.6
161.08124	1.1
161.09648	0.6
161.13248	7.8
163.06027	0.6
163.11151	18.5
167.08459	1.1
168.09337	0.4
169.10146	4.2
171.11664	5.4
173.09634	1.7
173.13249	4.5
175.11139	1.5
175.14792	2.0
177.12729	1.6
179.10603	0.5
181.10124	1.7
181.12282	0.6
183.11668	5.4
185.13226	6.2
187.11166	2.1
187.14796	3.9
189.12724	1.3
191.10684	1.2
195.11687	1.8
195.13419	0.3
197.13217	4.3
199.14818	4.6
200.15491	0.3
201.12691	0.5
201.16301	1.2
203.14325	1.2
205.12340	0.4
207.13766	0.7
209.13229	3.5
211.14815	3.7
213.16391	2.0
215.14365	1.8
215.17863	2.2
217.15947	0.5
223.14810	5.9
225.16463	2.5
225.18376	0.3
227.17961	1.8
229.19455	0.5
237.16351	4.0
238.16963	0.3
239.17897	4.2
241.15858	0.7
241.19452	2.2
251.17873	3.4
253.19482	4.1
255.17323	0.3
255.18390	0.4
255.21028	5.1
257.18991	2.4
259.16724	0.3
264.18680	0.6
267.21103	4.4
269.19077	2.4
269.22610	6.0
271.20560	1.3
273.22116	1.3
279.21033	30.3
285.22043	2.1
285.25046	0.4
287.19791	0.4
297.22076	29.4
315.23138	59.9
325.11197	2.1
333.24185	77.2
334.24564	1.6
337.21506	2.0
355.22449	1.5
373.23706	2.7
391.24762	6.2
392.25259	0.5
409.25800	1.7
443.27710	1.5
475.30423	5.8
493.31427	2.1
764.20453	0.3
918.32196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5817
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01331	0.4
71.04971	2.6
79.05054	0.5
79.05468	8.9
81.03394	0.6
81.06599	0.5
81.07032	10.7
83.04612	0.2
83.04958	3.8
83.08595	3.5
85.02887	18.1
85.06075	0.3
85.06528	7.6
87.04445	44.0
91.05453	11.6
92.09274	0.7
93.07021	12.0
93.98001	0.3
95.04939	4.6
95.08006	0.5
95.08579	10.0
97.02861	1.0
97.06474	2.0
99.04433	2.8
103.05408	0.6
105.03380	0.6
105.07009	19.4
105.49771	0.3
107.04888	0.6
107.08577	13.6
109.02860	1.0
109.06470	1.5
109.10144	7.4
110.06784	0.3
111.04419	4.5
111.07987	0.3
113.05982	5.2
114.06303	0.4
115.05436	1.3
115.07513	1.4
116.06175	0.4
117.06992	7.1
119.04945	0.4
119.07703	0.6
119.08553	14.0
121.06461	2.1
121.10119	7.7
123.04408	1.4
123.08035	0.4
123.11647	0.7
125.05950	1.7
127.03863	0.7
128.06172	2.6
129.05472	4.5
129.06967	7.0
130.07729	0.6
131.08537	15.9
133.06432	1.4
133.10095	14.2
135.08014	0.5
135.11661	7.4
137.05978	2.0
139.03879	0.4
139.07512	1.6
141.05402	0.4
141.06952	2.9
142.07756	3.5
143.07013	2.0
143.08537	13.4
144.09334	1.2
145.06458	1.8
145.08568	1.8
145.10094	15.3
147.08044	2.7
147.11665	12.9
149.05923	1.6
149.09581	1.1
149.13229	4.6
151.07491	0.4
153.05400	1.7
153.06906	0.6
154.07777	0.6
155.08517	7.8
156.09244	0.7
157.06425	1.5
157.08809	0.5
157.10092	10.3
158.10803	0.4
159.08018	1.3
159.11656	16.3
161.05925	1.3
161.09550	1.5
161.13220	13.6
163.07468	2.6
163.11143	1.5
163.14795	0.6
165.05386	0.7
165.06981	0.6
167.08516	2.8
168.09323	2.3
169.10091	5.8
170.10959	0.4
171.08000	1.8
171.11633	5.2
173.09610	1.9
173.13229	4.8
175.07497	12.0
175.11084	0.7
175.14720	3.0
177.09068	2.7
179.08467	1.2
180.09258	0.6
181.10095	5.8
182.10843	1.2
183.08099	0.5
183.11659	11.5
184.12373	0.6
185.09541	2.3
185.13211	6.8
186.81587	0.3
187.07521	1.9
187.11093	1.5
187.14787	2.9
189.09100	4.1
189.12802	0.3
189.16339	0.6
191.10571	0.4
193.08511	1.3
193.10097	2.4
195.07817	0.4
195.11658	7.0
196.12427	0.3
197.09625	1.8
197.13213	6.0
199.07507	0.6
199.11137	2.3
199.14787	5.7
200.15468	0.3
201.09100	2.6
201.12695	1.8
201.16356	1.6
203.10680	2.9
205.12141	0.4
207.11678	1.4
209.09752	2.4
209.13232	6.4
211.11130	4.5
211.14691	4.2
213.09056	2.6
213.12672	1.6
213.16313	4.0
213.65477	0.3
214.17093	0.5
215.10593	2.4
215.14211	0.3
215.17941	5.3
217.12227	1.8
217.15765	0.4
219.11682	0.5
221.13316	3.0
223.11263	1.1
223.14708	2.0
225.09036	0.4
225.12701	1.2
225.16345	1.4
227.10625	13.7
227.14279	1.6
227.17885	0.4
228.11168	0.3
229.12180	14.1
229.19429	0.4
231.13875	1.1
231.17368	1.4
232.18198	0.5
235.14766	3.5
237.12701	1.5
237.16284	1.2
239.14215	0.4
239.17999	0.6
241.12190	6.4
243.13754	3.7
247.13194	1.2
249.16441	2.2
251.14301	0.4
251.17827	2.6
253.19444	4.9
255.13739	6.8
257.15402	0.4
261.16446	0.3
263.14264	0.7
263.17874	1.7
264.14832	0.3
265.19489	0.6
267.13766	0.4
269.15317	1.3
275.17963	0.6
276.18643	0.3
277.16525	0.5
277.19434	4.5
281.15253	2.2
281.22675	1.2
291.20996	7.4
293.19418	0.3
293.22610	1.7
295.16907	1.7
295.20181	0.8
301.19464	1.6
309.18439	1.4
309.22083	5.1
319.20462	8.8
327.23071	1.2
337.21536	77.3
338.21823	2.6
355.22586	100.0
356.23074	2.2
373.23642	98.8
374.24088	2.3
397.23645	1.3
399.86237	0.4
415.24500	2.4
433.20215	0.6
433.25784	11.7
434.26132	1.4
515.29956	12.0
533.31073	4.9
761.36481	1.5
762.37573	0.5
852.65948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	17.8
78.02866	1.0
79.05477	18.4
81.03379	2.0
81.07036	19.2
83.04971	3.8
83.08615	2.1
84.42055	1.0
85.02892	2.0
85.06532	27.2
87.04445	7.5
88.55870	1.0
89.49754	1.0
91.05460	25.8
92.08682	2.4
93.07027	23.6
95.04946	52.7
95.08585	13.7
97.02850	1.1
97.06505	1.8
101.06013	1.5
105.03345	1.2
105.07022	28.5
106.04774	0.9
107.04930	2.3
107.08575	28.6
109.02901	1.6
109.06489	6.0
109.10121	9.0
111.08002	1.3
113.05988	93.1
114.06363	1.1
115.05442	2.0
117.07002	13.6
119.08565	22.5
121.06474	6.2
121.10132	9.2
121.51276	0.9
123.04361	5.5
123.08081	1.7
125.05967	6.0
127.03901	2.1
128.06181	3.8
129.06958	11.9
130.07742	1.4
131.04875	1.1
131.08553	23.0
133.06483	2.3
133.10117	15.4
135.08047	4.6
135.11646	6.6
137.05948	3.7
137.09575	1.7
139.07475	1.2
141.05455	1.2
141.06969	8.1
142.07748	3.9
143.08539	23.1
144.09306	1.6
145.06465	5.1
145.08580	16.7
145.10095	24.3
147.08006	5.9
147.11659	14.7
149.05943	1.4
149.13266	1.8
153.05446	2.2
153.06953	2.3
154.07745	4.3
155.08548	17.8
156.09398	1.3
157.06479	1.9
157.10112	20.0
159.08055	4.4
159.11662	23.3
161.05931	1.4
161.09561	4.3
161.13206	8.1
161.98935	1.1
163.07487	1.9
163.11102	1.5
165.06996	3.7
166.07712	1.9
167.08517	8.8
168.09296	4.0
169.10071	17.5
171.08025	5.9
171.11642	14.5
173.09584	4.1
173.13222	9.6
175.07498	11.9
175.11128	3.7
177.08987	1.5
179.08437	7.1
180.09309	2.1
181.10085	15.7
182.10858	1.7
183.07974	5.5
183.11647	21.1
185.09589	4.5
185.13240	10.7
187.07516	4.3
187.11169	3.7
187.14790	5.6
189.09094	6.6
191.10725	1.4
193.08586	1.1
193.10066	7.5
194.10757	1.5
195.08052	2.2
195.11646	13.6
197.09650	11.6
197.13228	11.6
199.11142	6.3
199.14735	7.4
201.09047	5.0
201.12650	2.2
201.16283	1.8
203.10616	3.9
203.14294	1.8
205.10117	4.1
207.08110	1.3
207.11632	6.6
209.09610	6.2
209.13281	8.4
211.11232	7.3
211.14784	7.3
213.09093	4.9
213.12811	3.2
213.16399	4.1
215.10617	6.3
215.14272	2.4
215.17856	2.3
217.12180	1.9
219.11671	5.1
221.09607	2.2
221.13280	8.2
223.11127	6.3
223.14801	5.2
225.09113	12.2
225.12660	7.1
225.16379	2.0
227.10651	10.9
227.14200	1.3
229.12196	12.4
229.15735	2.3
231.11662	4.0
231.13806	2.4
233.13217	5.2
235.14764	6.3
237.12694	3.5
237.16412	2.1
239.10509	2.4
241.12222	6.1
243.09862	3.6
243.13739	14.8
245.13254	2.4
245.15396	2.3
247.14859	1.6
249.12691	1.8
249.16351	4.5
251.14297	1.8
253.12117	1.8
253.15820	1.6
253.19435	1.5
255.13745	6.6
261.14581	2.8
263.13983	1.6
265.15579	1.1
267.13742	1.1
269.15359	1.6
271.16876	3.9
273.16281	2.0
275.14218	1.7
275.17987	1.6
277.19427	6.6
279.13773	1.1
281.15317	5.4
281.18921	1.7
287.17990	4.1
291.13922	3.3
291.17355	4.3
291.20966	8.0
293.15311	1.3
295.17065	1.3
295.20490	1.9
305.15811	1.1
305.19000	9.8
307.16763	1.6
307.20325	1.4
309.18451	7.8
309.22025	3.8
315.17319	1.8
319.20508	8.7
323.20065	10.7
327.22955	1.5
333.18396	21.3
337.21567	52.8
337.25699	1.8
351.19461	52.4
355.22595	100.0
369.20502	74.1
370.20792	1.3
373.23657	93.2
374.24063	1.4
387.21625	43.6
393.20404	1.6
411.21530	5.3
415.24686	1.5
429.22620	14.4
433.25568	8.5
447.23654	23.1
499.30545	21.5
517.31525	27.4
561.88892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01322	0.7
71.04974	12.0
73.02904	3.3
76.77644	0.3
79.05464	6.0
79.10777	0.3
81.03400	8.5
81.07035	5.9
83.01293	0.4
83.04960	2.3
83.08610	0.6
85.02887	100.0
85.06525	11.6
87.04438	5.3
91.03928	5.4
91.05458	3.6
92.09322	1.0
93.07023	5.6
95.04945	39.3
95.08574	4.3
97.02865	29.6
97.06506	9.5
99.04432	4.8
99.65427	0.3
101.02402	0.5
101.06014	0.6
103.03907	0.7
105.07005	6.4
107.04951	0.6
107.08582	5.2
109.02856	9.9
109.06499	2.0
109.10168	2.6
111.04426	1.6
113.05985	87.6
114.06335	0.4
115.03906	1.4
117.06992	1.9
119.08556	3.9
121.06506	0.6
121.10110	5.1
123.04388	0.5
123.08065	0.7
125.05972	10.3
127.03890	26.6
127.07488	0.4
129.05458	0.4
129.07021	1.3
131.08536	3.7
133.06500	0.6
133.10088	4.8
135.08014	0.7
135.11702	2.3
137.05960	2.1
137.09598	0.7
139.03931	0.5
139.07530	0.5
141.07021	0.6
143.08563	2.3
145.04935	34.3
145.08604	8.0
145.10112	6.2
147.04430	0.4
147.08064	0.6
147.11652	4.5
149.13254	0.6
151.07549	0.5
153.05444	10.2
155.07014	5.5
155.08455	0.6
157.10095	2.5
159.11676	5.9
161.13252	2.4
163.05977	9.6
163.07381	0.7
165.09183	0.5
167.07040	1.8
169.10056	1.8
171.11713	1.8
173.09595	0.5
173.13243	2.1
175.07527	0.7
175.11130	0.6
175.14769	5.4
177.09091	0.4
179.07008	0.7
181.08569	0.4
181.10054	0.6
183.11633	2.5
185.13239	2.5
187.14801	2.0
189.07541	3.5
189.09070	0.7
189.16353	2.0
195.11665	0.7
197.13252	2.1
199.14812	2.0
201.16315	6.4
203.10696	0.6
203.17880	0.5
209.13292	1.8
211.14832	0.7
213.16393	1.7
214.81415	0.3
215.17923	1.6
217.12186	0.7
221.13264	0.7
223.14731	0.8
225.16309	0.8
227.10730	0.4
229.12204	1.5
234.36089	0.4
235.14807	1.8
237.12807	0.4
237.16257	0.4
239.09004	0.7
241.12082	0.6
243.13826	0.8
247.13351	0.5
251.17870	0.7
253.19545	1.4
255.13799	1.5
257.10272	2.4
263.14243	0.4
265.19571	0.4
271.07883	0.5
273.14706	0.5
275.11258	2.0
277.19397	2.3
281.15292	1.3
289.09103	3.2
291.20905	3.4
301.19431	0.4
309.18658	0.4
309.22049	1.7
310.59799	0.3
319.20593	2.5
325.11221	35.9
327.23260	0.5
337.21524	14.9
355.22623	23.3
373.23654	87.8
374.24146	0.8
391.24689	0.8
408.82660	0.4
414.26434	0.5
437.16745	0.4
465.87164	0.4
487.16656	0.4
517.31519	14.9
1051.81824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
95.04916	0.3
113.06013	0.6
160.31807	0.4
167.06763	0.3
287.32779	0.4
482.50235	0.4
521.28644	100.0
522.28735	2.1
562.31433	1.6
643.53625	0.4
744.11133	0.4
807.93018	0.4
926.87286	0.5
981.89911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01332	0.4
71.04977	7.6
73.02900	3.0
73.32450	0.3
79.05489	2.7
81.03397	8.3
81.07034	3.1
83.01306	0.4
83.04962	2.0
83.08599	0.5
84.57388	0.3
85.02893	100.0
85.06531	6.3
87.04449	4.0
91.03938	7.1
91.05495	2.4
92.08702	0.6
92.09262	0.8
93.07016	4.0
95.04949	26.0
95.08610	2.4
97.02872	29.5
97.06511	6.9
99.04440	4.6
101.02398	0.5
101.05997	0.4
103.03930	0.8
103.05483	0.3
105.07010	4.3
107.04955	0.6
107.08580	3.4
107.90414	0.3
109.02869	10.2
109.06536	1.6
109.10165	0.8
111.04434	1.7
113.05994	60.6
115.03909	0.7
117.06999	0.6
119.08569	3.6
121.06551	0.5
121.10125	2.8
123.08055	0.6
125.05965	5.8
127.03893	26.1
129.05481	0.4
129.07018	0.7
131.08572	1.9
133.06523	0.5
133.10126	3.1
135.08049	0.6
135.11691	0.6
137.05957	2.2
137.09673	0.7
139.03894	0.3
142.07732	0.3
143.08589	2.0
145.04947	34.2
145.08589	5.0
145.10092	2.8
147.11679	2.5
149.05984	0.4
149.13260	0.5
151.07535	0.4
153.05446	5.8
155.07066	4.0
155.08206	0.5
157.10118	1.5
159.08063	0.5
159.11667	3.5
160.12569	0.4
161.06065	0.5
161.13258	1.4
163.03952	0.6
163.05995	12.5
163.07344	0.8
165.09134	0.6
167.07072	1.5
169.10085	0.7
171.11641	1.3
173.13258	1.5
175.14763	2.4
177.05505	1.3
179.07013	0.4
181.04939	0.5
181.08546	0.4
181.10043	0.6
183.11716	1.3
185.13235	1.6
187.14809	1.2
189.07613	3.7
189.09108	0.6
189.16409	1.4
191.10767	0.5
195.11713	0.7
197.13251	1.3
199.14851	1.6
201.16342	4.4
205.08665	0.4
209.08109	0.6
209.13223	0.7
213.12703	0.4
215.17810	0.8
217.12274	0.5
223.14871	0.6
229.12260	0.4
235.14816	0.7
239.09123	0.5
241.12057	0.4
251.18005	0.5
257.10175	2.1
267.13678	0.5
271.08008	0.6
275.11240	2.8
277.19574	1.3
289.09317	2.5
291.21149	1.6
309.21753	1.0
319.20673	1.9
325.11230	24.4
337.21588	10.9
355.22617	15.7
373.23679	62.4
374.24380	0.6
389.23364	0.5
414.26382	0.4
437.16513	0.5
487.16156	0.5
517.31512	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83208	0.6
55.05497	0.7
55.46439	0.7
56.87122	0.7
56.96553	37.9
58.50518	0.8
58.96138	1.8
58.99852	2.9
59.99933	9.7
60.04528	2.4
60.95839	8.9
67.51046	8.2
69.50665	1.1
74.97556	0.7
76.51564	9.8
78.00956	4.6
78.42226	0.6
78.51187	4.6
79.01836	11.9
80.03487	2.9
81.01447	3.3
83.01485	9.7
84.01186	0.9
85.52075	3.5
87.51728	2.7
87.53462	0.8
88.02354	18.6
89.00246	5.2
89.03996	3.4
89.52144	0.8
90.00107	1.3
90.01983	5.9
90.03836	0.9
97.02853	3.0
98.00747	16.7
99.00610	4.8
100.02472	6.2
101.00861	11.3
101.02535	59.5
101.05984	0.9
102.02229	5.7
102.02793	0.8
107.01269	1.6
117.05080	1.1
117.95975	7.5
118.03489	9.3
118.96741	1.2
119.01892	100.0
119.03579	46.5
119.04527	1.2
119.95689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.6296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04973	17.1
76.56624	1.1
77.42090	0.9
79.53879	1.2
85.06524	24.2
87.04420	2.8
94.87545	1.2
95.04946	33.0
104.88715	1.1
105.07016	2.7
108.86068	1.0
113.05984	100.0
119.08559	1.4
131.08598	2.1
145.08578	25.3
145.09836	1.6
145.10059	1.4
157.10080	1.7
159.11713	1.4
185.13173	1.6
187.14763	2.6
213.16374	1.7
231.17340	2.2
309.22000	2.1
337.21472	10.4
355.22650	28.6
499.30585	1.4
521.28528	1.5
547.33124	1.4
697.71844	1.3
743.02789	1.5
902.17383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02869	0.4
75.04444	0.6
79.05456	0.4
81.03378	0.4
83.08581	0.5
83.78069	0.1
85.02413	0.2
85.02884	3.5
87.04449	2.0
91.05461	1.0
92.09299	0.1
93.07001	0.1
95.04958	0.1
97.02869	2.8
98.97581	0.2
103.05428	0.2
105.07001	1.1
107.04942	1.4
109.02839	0.4
111.69300	0.1
115.03899	2.5
115.05387	0.9
116.06202	0.2
117.07000	1.1
119.04874	0.2
121.06451	0.6
123.04393	0.5
124.05176	0.2
125.02342	0.1
127.03870	0.6
128.06198	1.7
129.06973	4.4
130.07809	0.1
131.04907	0.5
131.08534	6.1
132.05695	0.2
133.04936	2.2
133.06465	0.6
133.10104	0.6
137.05907	0.2
137.09521	0.1
141.06967	2.1
142.07764	0.5
143.00142	0.2
143.04950	0.2
143.08536	1.3
144.05644	1.9
145.02873	0.2
145.05022	0.7
145.06459	2.8
145.10048	0.2
146.07280	0.8
147.04378	0.5
147.08067	0.2
149.05968	0.2
150.07564	0.2
153.05582	0.1
153.06924	0.7
155.05994	0.2
155.07080	0.1
156.05670	0.6
157.05255	0.2
157.06459	3.2
158.07253	0.7
159.08014	12.8
160.05060	0.1
161.05939	1.1
161.09570	2.9
163.06000	0.1
165.09039	0.1
167.06993	4.8
168.07451	0.1
169.06392	0.5
169.07631	1.0
170.07196	2.0
171.08009	2.8
172.05136	0.9
173.05937	2.8
173.09587	0.7
174.06700	0.7
175.07484	1.1
177.05446	1.0
178.06158	0.5
179.05505	0.1
179.07001	0.2
181.08553	0.5
184.05295	0.1
185.05873	0.2
186.06686	0.2
187.07497	10.0
187.13091	0.1
188.08282	0.6
189.05421	0.4
189.09056	5.1
190.06245	1.1
191.06960	0.6
192.07700	0.2
193.08536	0.6
198.06766	0.8
199.07538	1.4
201.05385	0.2
201.09067	0.8
202.06165	0.2
203.07001	1.4
204.07779	5.5
205.08565	2.0
206.09389	0.8
207.10162	0.5
209.08104	0.1
215.06935	0.1
216.07753	2.0
217.08572	2.7
218.09325	0.8
219.01579	0.2
219.10110	3.2
221.08063	0.5
221.11673	2.0
227.09097	0.4
231.10101	4.2
233.11687	1.5
234.08820	0.5
235.09558	0.2
237.02728	0.5
237.11163	0.6
247.09616	0.7
249.11156	100.0
250.11542	1.3
251.12698	2.7
259.08072	0.2
263.10468	0.1
265.10678	0.7
267.12204	13.2
268.12677	0.2
285.13309	0.6
291.03830	0.1
291.10059	0.2
295.10098	0.6
307.09464	0.1
315.08560	0.2
319.10327	0.2
321.10861	0.1
323.08170	0.1
330.10770	0.1
363.35834	0.1
383.14749	0.7
385.16324	1.8
401.15768	0.8
403.17264	0.2
414.16174	1.0
425.15790	0.6
433.13351	0.7
434.19943	0.6
769.45715	0.1
960.32983	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	1009.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	11.2
71.58626	0.5
72.04118	0.5
75.29880	0.5
79.05467	10.7
81.03389	0.6
81.07034	10.3
83.04966	0.6
83.08590	1.2
84.36819	0.5
85.02885	2.2
85.06524	14.7
87.04452	4.3
91.05454	12.6
91.32278	0.4
93.07021	13.2
95.04938	23.9
95.08582	8.9
97.06493	0.5
101.05952	0.7
105.07012	17.1
107.08575	18.2
109.06503	2.3
109.10163	4.6
113.05985	58.4
115.05420	0.9
117.06996	6.7
119.04912	0.9
119.08553	13.2
121.06454	0.8
121.10130	7.1
123.04348	1.1
123.11632	0.6
125.05973	0.8
127.07548	0.5
128.06197	1.2
129.06999	5.1
130.07774	1.0
131.08539	13.8
133.06476	0.8
133.10121	11.5
135.11679	4.0
137.05951	0.9
139.07489	0.8
141.05423	1.9
141.06941	2.2
142.07753	1.1
142.13707	0.5
143.08543	12.0
144.09354	0.7
145.06525	0.7
145.07597	0.8
145.08582	11.0
145.10107	14.8
147.07999	3.6
147.11659	9.8
149.05922	0.8
149.09653	0.6
149.13220	3.7
151.03828	0.7
151.07526	0.6
151.11269	0.7
154.91089	0.5
155.08536	6.5
156.09306	1.0
157.06480	0.6
157.10098	8.9
159.08055	0.9
159.11668	11.9
161.09619	0.8
161.11981	0.8
161.13197	7.1
163.07520	2.8
163.11081	1.0
165.06938	0.6
167.08528	1.2
168.09296	0.6
168.64372	0.5
169.10078	7.4
171.08035	2.0
171.11644	6.3
173.09650	0.6
173.13242	4.8
175.07495	8.5
175.11145	0.7
175.14799	0.8
177.05443	0.5
177.09088	2.6
179.08533	0.7
181.10027	4.4
182.10904	1.0
183.08031	0.5
183.11641	10.4
183.13145	0.7
185.09647	1.1
185.13200	5.5
187.07521	1.2
187.11131	0.6
187.14752	4.3
189.09050	3.8
190.96155	0.5
193.10039	0.9
195.11667	5.6
197.09575	2.0
197.13217	8.9
199.07607	0.7
199.11223	1.0
199.14796	6.0
201.09073	3.1
201.12695	1.2
201.16377	0.7
203.10612	2.6
206.10980	0.6
207.11696	1.8
209.09547	0.8
209.13167	4.9
210.10463	0.6
211.11234	2.7
211.14781	3.8
213.08994	0.9
213.12740	2.6
213.16380	3.0
215.10664	2.0
215.14320	1.2
215.17905	3.2
217.12170	1.3
221.13216	2.3
223.11125	1.0
223.14766	2.3
225.12656	3.5
225.16351	2.4
227.10606	5.1
227.14189	0.7
229.12181	9.6
231.13789	3.1
232.18269	0.9
233.18953	0.6
235.14728	2.9
237.12621	0.7
237.16383	1.1
241.12077	4.7
243.13739	13.3
247.13159	0.7
249.16356	3.2
251.17921	0.7
253.19588	1.0
255.13818	4.1
261.14822	2.4
263.14166	0.9
263.18079	1.0
269.15228	0.7
277.19540	2.6
281.15314	1.0
291.18011	0.9
291.21048	6.1
293.22464	0.7
295.20453	0.7
301.19473	0.8
309.18683	0.7
309.22195	2.6
319.20554	5.9
327.23102	0.7
337.21536	39.8
355.22595	100.0
356.22891	1.2
373.23642	80.9
374.24133	1.0
415.24622	1.0
433.25726	6.0
499.30438	16.0
517.31433	21.0
518.31689	0.7
601.77313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.5869
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	3.4
72.09017	0.3
73.01414	0.2
73.06524	1.1
78.04648	0.3
79.05468	7.6
80.77714	0.2
81.03408	0.4
81.07034	11.9
83.04975	2.0
83.08614	3.0
85.02875	1.5
85.06522	4.2
87.04443	5.2
91.04878	0.4
91.05452	12.6
93.07016	12.6
95.04945	25.9
95.08583	8.5
97.06480	0.7
99.08041	1.1
101.05979	1.3
103.05444	0.5
105.03374	0.5
105.07009	19.2
107.04913	0.6
107.08569	12.7
109.02827	0.4
109.06495	1.4
109.10143	6.4
111.08061	0.4
113.05984	39.6
115.05420	1.2
116.06167	0.5
117.06207	0.5
117.06993	7.8
119.07697	0.6
119.08556	14.6
121.02791	0.3
121.06467	1.4
121.10120	8.2
123.04396	1.4
123.08054	0.6
123.11662	0.5
125.05940	1.9
127.07523	4.1
128.06163	2.3
129.06970	6.7
130.07756	1.2
131.08536	14.3
133.06479	1.7
133.10100	10.4
135.07994	0.4
135.11664	6.3
137.05978	1.1
137.09631	0.3
139.03889	0.3
139.07518	0.6
141.05452	0.5
141.06946	3.1
142.07759	2.6
143.08542	11.6
144.09302	1.2
145.06519	1.1
145.08571	15.2
145.10092	12.7
147.08017	3.1
147.11661	11.9
149.05937	0.6
149.13228	4.4
151.07457	0.5
153.05420	1.1
153.06915	0.5
154.07736	1.2
155.08533	6.8
156.09305	1.1
157.06500	2.3
157.10097	9.0
159.08041	1.4
159.11656	15.5
161.05977	0.3
161.09596	1.1
161.13228	12.7
163.07542	2.4
163.11127	0.5
163.14824	0.3
165.06975	1.2
165.09079	0.4
166.07735	0.6
167.08542	2.5
168.09290	1.8
169.06453	0.3
169.10097	6.7
171.08034	1.6
171.11641	6.8
173.09584	1.1
173.13213	4.8
175.07504	12.8
175.11119	0.4
175.14772	2.4
177.09103	2.2
179.08542	1.3
180.09329	0.5
181.10088	5.8
182.10837	1.2
183.08081	0.6
183.11653	11.3
184.12279	0.3
185.09572	2.4
185.13194	4.7
187.07541	2.0
187.11140	1.2
187.14740	2.4
189.05450	0.3
189.09079	6.0
189.12846	0.4
191.10580	1.2
193.08562	1.7
193.10120	2.1
194.10942	0.4
195.11652	5.1
197.09578	1.5
197.13231	4.9
198.14023	0.4
199.07549	0.3
199.11191	2.2
199.14798	5.3
201.09082	2.5
201.12711	1.8
201.16345	1.9
203.10660	2.8
203.14268	0.3
205.12042	0.4
207.11725	2.2
209.09662	2.1
209.13203	4.6
211.11143	3.9
211.14748	3.5
211.16559	0.4
213.09088	2.7
213.12704	1.5
213.16360	2.7
215.10625	2.7
215.14220	0.5
215.17889	5.1
217.12250	1.6
217.15767	0.5
219.11726	0.6
221.09662	0.4
221.13219	2.4
222.13979	0.4
223.11134	0.6
223.14746	2.1
225.12758	1.3
225.16364	1.7
227.10628	12.1
227.14325	1.2
227.17903	0.5
229.12186	11.4
229.19434	0.4
231.13715	1.1
231.17458	1.4
232.18076	0.4
233.13326	0.4
233.18886	0.3
235.14821	2.9
236.15384	0.3
237.12611	2.0
237.16307	1.1
239.14211	0.6
239.17892	0.6
241.12201	5.2
241.19373	0.4
243.13741	3.9
247.13202	1.5
249.16357	2.0
251.14296	0.5
251.17889	1.7
252.18694	0.5
253.12061	0.4
253.15665	0.3
253.19522	4.1
255.13744	5.8
257.15240	0.5
263.17822	1.3
265.19290	0.3
267.13800	0.4
269.15253	1.7
275.17923	0.4
277.16223	0.9
277.19476	4.0
281.15405	2.3
281.22482	1.1
283.16959	0.4
291.20963	6.5
293.22528	1.0
295.16763	1.9
295.20477	1.3
301.19476	1.4
307.20523	0.4
309.18384	1.1
309.22067	4.6
319.20471	7.8
325.44217	0.3
327.22992	0.6
337.21548	68.5
338.21872	1.3
355.22592	89.6
356.22882	1.5
371.22009	0.3
373.23645	100.0
374.23962	1.7
397.23532	0.5
415.24728	1.7
433.25760	14.1
433.31723	0.5
499.30518	7.8
517.31433	5.2
798.73431	0.3
948.18323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.5865
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04972	8.0
76.56304	0.3
79.05465	8.0
81.03371	0.6
81.07031	12.0
83.04925	1.5
83.08585	2.9
84.67751	0.3
85.02831	1.5
85.06522	11.2
87.04439	4.6
91.05452	11.3
91.17838	0.3
92.09106	1.4
93.07012	13.3
95.04938	20.8
95.08578	9.7
97.06454	0.6
97.10131	0.5
101.05933	1.6
103.05441	0.5
105.07006	19.7
107.04893	0.3
107.08567	13.6
109.02855	0.4
109.06468	1.7
109.09386	0.3
109.10129	7.6
111.04433	0.4
113.05980	50.8
115.05413	1.2
116.06169	0.7
117.06984	8.2
119.07737	0.5
119.08551	13.9
121.06451	2.3
121.10111	8.6
123.04341	1.5
123.07990	0.5
123.11642	0.6
125.02291	0.3
125.05962	2.2
127.07509	0.3
128.06161	2.7
129.06976	8.6
130.07750	0.7
131.08533	15.5
133.06432	1.2
133.10097	11.6
135.07976	1.2
135.11665	6.7
137.05908	1.2
137.09491	0.3
139.07491	0.7
141.05411	0.7
141.06944	3.2
142.07741	2.1
143.08527	11.8
144.09291	0.3
145.06441	1.1
145.08542	10.2
145.10056	14.5
147.07999	3.4
147.11658	14.0
149.05928	0.7
149.09668	0.3
149.13240	4.8
151.07506	0.6
153.05417	0.7
153.06871	0.7
155.08525	6.6
156.09282	1.3
157.06416	1.2
157.08829	0.5
157.10097	12.0
159.07959	1.8
159.11650	17.0
161.05939	0.4
161.09554	1.5
161.13206	15.0
163.07516	2.8
163.11064	0.5
163.14757	0.4
165.05423	0.4
165.06958	0.6
165.09093	0.4
166.07726	1.6
167.08495	3.2
168.09248	2.1
169.06453	0.3
169.10069	8.8
170.10779	0.4
171.08000	2.1
171.11652	6.9
173.05986	0.5
173.09641	2.2
173.13187	5.3
175.07501	13.8
175.11072	1.1
175.14743	2.9
176.08228	0.4
177.09071	3.0
179.08517	0.7
180.09277	0.4
181.08589	0.5
181.10060	6.2
182.10831	1.6
183.08011	0.7
183.11647	10.9
185.09621	2.1
185.13177	6.7
187.07526	2.4
187.11127	1.6
187.14795	3.7
189.09032	4.9
189.16313	1.2
191.10594	0.7
192.09233	0.3
193.08481	2.0
193.10106	1.4
194.10873	0.7
195.11652	5.7
196.12416	0.4
197.09526	1.6
197.13222	6.2
198.13864	0.4
199.07552	0.6
199.11142	2.4
199.14775	6.5
201.09076	2.6
201.12715	2.0
201.16437	2.5
203.10612	3.3
205.10162	0.6
205.12105	0.5
207.09962	0.7
207.11674	1.9
209.09612	2.9
209.13237	5.4
211.11174	4.4
211.14745	4.6
213.09073	3.3
213.12704	1.3
213.16295	4.0
214.16919	0.4
215.10643	2.6
215.14162	0.4
215.17867	4.8
217.12178	2.1
217.15829	0.5
219.11732	0.6
221.13284	3.0
222.13846	0.5
223.11099	1.9
223.14758	2.6
225.12700	1.5
225.16316	1.8
227.10614	13.2
227.14240	1.4
227.17889	1.0
229.12177	12.6
231.13756	1.2
231.17346	1.3
232.18135	0.6
235.11107	0.5
235.14804	4.2
237.12648	1.7
237.16273	1.7
239.14336	0.4
239.17877	1.2
241.12122	6.4
243.13788	3.3
245.11475	0.5
247.13191	1.3
249.12648	0.5
249.16304	3.3
251.17828	2.8
253.12032	0.5
253.15915	0.4
253.19424	3.9
255.13750	7.8
257.15366	0.6
263.14246	0.7
263.17886	1.2
265.15695	0.3
265.19354	0.5
267.13684	0.7
269.15341	1.8
273.14664	0.5
275.17844	0.5
277.16373	0.4
277.19403	3.7
279.17368	0.4
279.20712	0.5
281.15292	2.9
281.22543	1.1
289.19324	0.4
291.20984	8.0
293.19113	0.4
293.22623	1.4
295.16895	2.1
295.20276	0.6
297.18790	0.3
301.19363	1.6
304.18008	0.4
309.18585	1.0
309.21942	5.4
311.19873	0.4
319.20477	10.6
321.26340	0.3
325.21652	0.4
327.23026	0.6
337.21527	83.2
338.21970	1.4
355.22580	96.2
356.22910	1.4
373.23630	100.0
374.24039	2.4
397.23465	1.1
415.24713	2.5
433.25754	17.6
497.67596	0.3
499.30234	5.9
508.51880	0.3
517.31488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.6816
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	13.2
79.05484	1.0
81.07043	6.7
83.04959	1.0
85.02883	1.4
85.06530	17.9
87.04457	11.5
91.05441	1.3
93.07018	4.9
95.04949	31.1
95.08572	6.1
101.06003	2.5
102.18264	0.5
103.64503	0.6
105.07011	5.0
107.08578	5.5
107.66319	0.5
109.10152	2.8
113.05991	100.0
117.07008	1.1
119.08557	3.7
121.10110	3.4
127.07584	1.2
131.08513	5.1
133.10115	3.9
135.11670	7.0
143.08568	1.0
145.08585	51.2
145.10036	2.8
147.11665	5.4
149.13231	2.4
151.11211	0.9
153.09100	0.6
155.08540	1.0
157.10123	3.2
158.78816	0.6
159.11652	5.2
161.13239	7.5
162.11224	0.7
169.10107	2.7
171.11717	2.6
173.13252	3.1
175.14777	2.7
181.10109	1.1
183.11688	1.4
185.13222	2.8
187.11223	2.2
187.14787	2.2
189.12863	0.8
195.11726	1.1
197.13263	3.4
199.14821	1.2
206.04245	0.6
209.13202	0.7
211.14864	1.2
215.14223	0.9
215.17986	1.4
223.14775	2.2
225.16376	0.8
227.17882	2.3
237.16273	1.0
239.17960	4.8
241.19426	1.2
251.17845	1.0
253.19560	2.3
255.21120	3.2
257.18893	5.7
267.21036	3.4
269.18967	3.8
269.22604	4.3
279.17996	0.9
279.21039	22.6
287.20096	0.9
297.22073	29.1
297.25458	1.2
315.23126	47.8
333.24179	51.0
477.31873	0.9
514.10101	0.7
677.18427	0.6
815.72510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06560	4.1
71.04973	3.0
79.05475	67.1
81.03380	3.8
81.07035	100.0
83.04937	5.1
83.08591	17.0
85.02878	5.1
85.06532	2.6
86.09683	3.7
90.43124	2.2
91.05458	51.7
92.08997	13.1
93.07020	80.8
95.04948	14.2
95.08585	54.9
95.66182	2.1
97.02872	4.0
97.06488	12.2
97.10119	3.1
99.08070	3.2
99.61802	2.4
105.07018	45.0
107.08570	43.4
109.06485	9.5
109.10144	28.8
111.08157	2.2
117.06982	18.7
117.08214	2.3
117.09172	2.5
119.08572	30.1
121.06451	3.3
121.10108	31.4
123.08006	3.4
123.11682	4.3
125.09626	3.5
130.14630	2.0
131.08545	27.9
133.10092	20.2
135.07970	4.7
135.11658	17.6
135.61420	2.0
137.09569	3.1
143.08557	4.6
145.10139	20.9
147.11649	17.2
149.09669	2.4
149.13217	11.2
157.10071	4.3
159.11670	11.4
161.13234	3.0
163.11215	4.2
163.14677	2.7
171.11618	3.1
173.11781	2.7
173.13210	8.6
175.10999	2.4
185.13158	3.9
219.17303	2.9
229.14330	12.0
257.18774	2.5
261.22174	3.4
269.17401	12.4
275.20007	18.9
293.20953	2.4
335.25742	77.2
336.26047	2.6
349.23569	13.1
367.24600	10.2
489.35480	8.8
502.87808	2.5
529.38824	56.6
535.85083	2.2
569.41986	34.2
609.45160	53.6
610.44940	2.6
627.46252	30.4
789.51318	2.7
1007.04443	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	1004.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01335	0.4
71.04604	0.6
71.04969	13.6
73.02896	10.2
75.04456	45.5
79.05463	5.8
81.03403	6.9
81.07038	5.1
83.04961	19.3
83.08590	0.7
85.02883	80.6
85.06520	9.8
85.99874	0.3
87.04436	5.3
91.03937	3.0
91.05456	3.7
93.07020	4.7
95.04938	38.6
95.08572	4.0
97.02861	22.2
97.06502	7.5
99.04434	4.2
101.02348	0.4
101.05998	4.5
103.03927	0.6
103.05444	0.7
105.06998	6.2
106.04124	0.5
107.04935	1.7
107.08561	5.0
109.02850	8.1
109.06499	2.7
109.10142	2.0
111.04416	14.3
113.05979	88.3
115.03918	1.2
117.06999	1.9
119.04955	0.4
119.08553	4.7
121.06480	1.8
121.10111	3.6
123.04372	0.5
123.07994	0.5
125.05958	9.4
125.09561	0.5
127.03880	20.7
127.99704	0.3
129.05460	9.1
129.06944	0.7
130.69145	0.3
131.04901	0.4
131.08548	2.6
133.06464	0.7
133.10080	2.8
135.04388	0.7
135.07988	0.5
135.11682	1.8
137.05910	2.5
137.09578	0.7
139.03870	0.7
139.07471	0.4
142.02611	0.3
143.08551	2.1
145.04927	27.5
145.08583	10.1
145.10095	4.6
147.06487	3.5
147.08058	0.3
147.11690	4.1
149.05934	2.4
149.13254	0.6
151.03885	0.4
151.07494	0.7
153.05420	10.1
155.07013	6.0
155.08380	0.8
157.10101	2.7
159.11679	5.7
161.05931	0.7
161.13239	2.2
163.03925	0.6
163.05998	8.7
163.07489	1.5
167.06992	5.4
169.10060	0.5
171.06464	0.7
171.11632	1.4
173.05994	0.8
173.13232	1.9
175.07565	0.5
175.11192	0.6
175.14796	3.4
177.05443	1.6
177.09108	0.7
179.07043	0.8
181.04919	7.5
181.08525	1.3
181.10037	0.7
183.11722	0.7
185.13152	2.4
187.07457	0.5
187.14833	1.9
189.07535	4.2
189.09024	0.7
189.16405	1.8
191.06961	2.6
191.10684	0.5
193.08595	0.5
195.11676	1.7
197.13200	0.9
199.06039	1.4
199.14828	1.5
201.16356	5.3
207.06442	0.6
209.08078	2.0
209.13289	1.8
211.14757	1.4
213.07414	0.5
213.12737	0.6
213.16423	0.5
215.17932	1.4
217.07040	2.7
217.12262	0.6
221.08026	0.5
221.13263	0.6
223.14729	0.7
225.12910	0.4
229.12088	0.6
235.14886	0.4
237.07527	0.5
239.09209	0.8
251.17772	0.4
253.19513	0.6
255.08635	1.5
255.13652	0.8
257.10083	4.3
259.11633	0.5
273.09628	7.4
275.11096	4.2
277.19458	2.2
281.15213	0.7
289.09134	0.8
291.10931	2.6
291.13968	0.4
291.20947	2.7
293.22552	0.7
295.20285	0.5
309.11710	14.4
309.18713	0.5
309.22061	2.1
319.20337	2.5
325.11209	12.1
327.23087	0.6
337.21542	16.0
355.22571	22.8
373.23633	100.0
374.24042	1.9
391.24551	0.4
404.87314	0.4
414.26093	0.8
417.15250	2.0
437.16324	0.7
485.28848	1.5
517.31488	23.1
518.31433	0.4
535.29291	0.4
647.34344	0.7
715.24237	0.4
999.90759	0.5
END